A0A096M5A1_POEFO Loading...

Dihydroorotate dehydrogenase (quinone), mitochondrial

Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor. Required for UMP biosynthesis via de novo pathway.

AlphaFold DB , UniProt , Accession A0A096M5A1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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
1M61.5Low78.4Confident223 Ų223129.5 Ų129.5100%1.09965%0.651SS**  0-48.70-90.9-169.1-111.800113.9G3 R4 L5M1-G3 PolarHBondContact O-N 2.85Å; M1-R4 PolarHBondContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 2.7Å
2A66.1Low78.6Confident81 Ų81122.3 Ų122.367%0.66963%0.626SS**Hα-helixtrans-56.8-38.2-175.100000115.8L5 K6A2-L5 PolarHBondContact O-N 2.79Å; A2-K6 WeakPolarHBondContact O-CB 3.37Å; A2-K6 PolarHBondContact O-N 3.24Å
3G75.2Confident79.2Confident59 Ų59119.8 Ų119.861%0.60862%0.62SS**Hα-helixtrans-67.9-33.9178.800000114.5M1 K7M1-G3 PolarHBondContact O-N 2.85Å; G3-K7 PolarHBondContact O-N 3.1Å; G3-K7 VanDerWaalsContact O-N 3.1Å
4R78.3Confident79.5Confident192 Ų192120.4 Ų120.473%0.72562%0.615SS**Hα-helixtrans-72.5-41.7176.9-170.1176.4-178-179.71111M1 K7 Q8M1-R4 PolarHBondContact O-N 3.11Å; R4-K7 PolarHBondContact O-N 3.17Å; R4-Q8 WeakPolarHBondContact O-CG 3.22Å; R4-Q8 PolarHBondContact O-N 2.63Å
5L79.7Confident79.8Confident120 Ų120119.3 Ų119.363%0.62862%0.616SS**Hα-helixtrans-62.9-43.4174.9-161.778.4000111.4M1 A2 K7 Q8 L9M1-L5 PolarHBondContact O-N 2.7Å; A2-L5 PolarHBondContact O-N 2.79Å; L5-K7 VanDerWaalsContact C-N 3.34Å; L5-K7 PolarHBondContact O-N 3.17Å; L5-Q8 PolarHBondContact O-N 3.04Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 PolarHBondContact O-N 2.78Å
6K79Confident80.2Confident140 Ų140118.9 Ų118.961%0.60961%0.614SS**Hα-helixtrans-62.7-38175.8-167.7175.6-174.5175.90112.5A2 K10A2-K6 WeakPolarHBondContact O-CB 3.37Å; A2-K6 PolarHBondContact O-N 3.24Å; K6-K10 WeakPolarHBondContact O-CG 3.48Å; K6-K10 PolarHBondContact O-N 3.05Å; K6-K10 VanDerWaalsContact O-N 3.09Å
7K83.7Confident80.5Confident143 Ų143115.5 Ų115.562%0.62260%0.603SS**Hα-helixtrans-68-46.9174.9-171.8178.2179.5-179.60111.5G3 R4 L5 L9 K10 E11G3-K7 PolarHBondContact O-N 3.1Å; G3-K7 VanDerWaalsContact O-N 3.1Å; R4-K7 PolarHBondContact O-N 3.17Å; L5-K7 VanDerWaalsContact C-N 3.34Å; L5-K7 PolarHBondContact O-N 3.17Å; K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 3.39Å; K7-K10 PolarHBondContact O-N 2.67Å; K7-E11 WeakPolarHBondContact O-CG 3.31Å; K7-E11 PolarHBondContact O-N 2.73Å
8Q84.8Confident80.9Confident108 Ų108112.3 Ų112.351%0.50559%0.592SS.*Hα-helixtrans-60.3-40.3176.4-75.1173.6-37.200112R4 L5 E11 A12R4-Q8 WeakPolarHBondContact O-CG 3.22Å; R4-Q8 PolarHBondContact O-N 2.63Å; L5-Q8 PolarHBondContact O-N 3.04Å; Q8-E11 PolarHBondContact O-N 3.31Å; Q8-A12 WeakPolarHBondContact O-CB 3.25Å; Q8-A12 PolarHBondContact O-N 2.91Å
9L85.9Confident81.3Confident118 Ų118108.4 Ų108.462%0.61858%0.582SS**Hα-helixtrans-63.9-42.7175.7-169.370.6000111.8L5 K7 A12 V13L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 PolarHBondContact O-N 2.78Å; K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 3.39Å; L9-A12 PolarHBondContact O-N 3.14Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 3.02Å
10K82.7Confident81.8Confident144 Ų144106.5 Ų106.563%0.62658%0.577SS**Hα-helixtrans-62-45175.6-78.6-176176-167.90112.4K6 K7 V13 K14K6-K10 WeakPolarHBondContact O-CG 3.48Å; K6-K10 PolarHBondContact O-N 3.05Å; K6-K10 VanDerWaalsContact O-N 3.09Å; K7-K10 PolarHBondContact O-N 2.67Å; K10-V13 PolarHBondContact O-N 3.33Å; K10-K14 PolarHBondContact O-N 2.79Å
11E85.9Confident82.2Confident97 Ų97107 Ų10745%0.45358%0.579SS.*Hα-helixtrans-65.1-41.7177.4-66.5-56.1149.400111.5K7 Q8 V13 K14 V15K7-E11 WeakPolarHBondContact O-CG 3.31Å; K7-E11 PolarHBondContact O-N 2.73Å; Q8-E11 PolarHBondContact O-N 3.31Å; E11-V13 PolarHBondContact O-N 3.42Å; E11-K14 WeakPolarHBondContact O-CB 3.5Å; E11-K14 PolarHBondContact O-N 3.48Å; E11-K14 VanDerWaalsContact O-N 3.17Å; E11-V15 WeakPolarHBondContact O-CG2 3.13Å; E11-V15 PolarHBondContact O-N 3.32Å
12A80.7Confident83.8Confident42 Ų42102.4 Ų102.435%0.34756%0.558SS.*Hα-helixtrans-60.2-45.7175.400000111.9Q8 L9 K14 V15 I16Q8-A12 WeakPolarHBondContact O-CB 3.25Å; Q8-A12 PolarHBondContact O-N 2.91Å; L9-A12 PolarHBondContact O-N 3.14Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 3.29Å; A12-V15 PolarHBondContact O-N 3.36Å; A12-I16 WeakPolarHBondContact O-CB 3.31Å; A12-I16 VanDerWaalsContact O-CG1 3.23Å; A12-I16 WeakPolarHBondContact O-CG1 3.35Å; A12-I16 PolarHBondContact O-N 3.15Å
13V86.8Confident85.1Confident90 Ų90104.7 Ų104.755%0.54555%0.553SS.*Hα-helixtrans-59.7-40.3175.1169.50000111.2L9 K10 E11 S17L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 3.02Å; K10-V13 PolarHBondContact O-N 3.33Å; E11-V13 PolarHBondContact O-N 3.42Å; V13-S17 VanDerWaalsContact O-CB 3.22Å; V13-S17 WeakPolarHBondContact O-CB 3.5Å; V13-S17 PolarHBondContact O-N 3.4Å; V13-S17 PolarHBondContact O-OG 2.96Å
14K82.7Confident85.9Confident129 Ų129103.2 Ų103.256%0.56154%0.535SS*.Hα-helixtrans-65.6-45.6178.1-172-179.6177.1-173.40112.1K10 E11 A12 S17 S18K10-K14 PolarHBondContact O-N 2.79Å; E11-K14 WeakPolarHBondContact O-CB 3.5Å; E11-K14 PolarHBondContact O-N 3.48Å; E11-K14 VanDerWaalsContact O-N 3.17Å; A12-K14 VanDerWaalsContact C-N 3.29Å; A12-K14 PolarHBondContact O-N 3.29Å; K14-S17 WeakPolarHBondContact CA-OG 3.29Å; K14-S17 PolarHBondContact O-OG 2.94Å; K14-S18 VanDerWaalsContact O-CB 3.31Å; K14-S18 WeakPolarHBondContact O-CB 3.37Å; K14-S18 PolarHBondContact O-N 3.24Å; K14-S18 PolarHBondContact O-OG 3.3Å
15V84.3Confident86.7Confident103 Ų10396.8 Ų96.862%0.62452%0.519SS*.Hα-helixtrans-64.9-47.2178.6173.40000110.9E11 A12 S17 S18 G19E11-V15 WeakPolarHBondContact O-CG2 3.13Å; E11-V15 PolarHBondContact O-N 3.32Å; A12-V15 PolarHBondContact O-N 3.36Å; V15-S17 PolarHBondContact O-N 3.31Å; V15-S18 PolarHBondContact O-N 3.42Å; V15-G19 PolarHBondContact O-N 3.12Å
16I86.9Confident87.4Confident113 Ų11397.8 Ų97.858%0.57952%0.516SS*.Hα-helixtrans-63.5-43.8179.7-66.9166.7000110.9A12 G19 S20A12-I16 WeakPolarHBondContact O-CB 3.31Å; A12-I16 VanDerWaalsContact O-CG1 3.23Å; A12-I16 WeakPolarHBondContact O-CG1 3.35Å; A12-I16 PolarHBondContact O-N 3.15Å; I16-G19 PolarHBondContact O-N 3.45Å; I16-S20 VanDerWaalsContact O-CB 3.29Å; I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 2.94Å; I16-S20 PolarHBondContact O-OG 3.28Å
17S85.1Confident88.2Confident62 Ų6292.1 Ų92.143%0.43449%0.492SS..Hα-helixtrans-66.6-40.5179.556.20000112.2V13 K14 V15 S20 L21V13-S17 VanDerWaalsContact O-CB 3.22Å; V13-S17 WeakPolarHBondContact O-CB 3.5Å; V13-S17 PolarHBondContact O-N 3.4Å; V13-S17 PolarHBondContact O-OG 2.96Å; K14-S17 WeakPolarHBondContact CA-OG 3.29Å; K14-S17 PolarHBondContact O-OG 2.94Å; V15-S17 PolarHBondContact O-N 3.31Å; S17-S20 PolarHBondContact O-N 3.2Å; S17-L21 WeakPolarHBondContact O-CB 3.46Å; S17-L21 PolarHBondContact O-N 3.36Å
18S86.8Confident88.7Confident58 Ų5887.4 Ų87.441%0.40648%0.475SS..Hα-helixtrans-67.1-43.8176.3-61.40000112K14 V15 L21 L22K14-S18 VanDerWaalsContact O-CB 3.31Å; K14-S18 WeakPolarHBondContact O-CB 3.37Å; K14-S18 PolarHBondContact O-N 3.24Å; K14-S18 PolarHBondContact O-OG 3.3Å; V15-S18 PolarHBondContact O-N 3.42Å; S18-L21 PolarHBondContact O-N 3.17Å; S18-L22 WeakPolarHBondContact O-CG 3.27Å; S18-L22 PolarHBondContact O-N 2.96Å
19G89.6Confident89.2Confident38 Ų3886.2 Ų86.239%0.39248%0.475SS..Hα-helixtrans-62-42.4174.700000112.5V15 I16 L22 F23V15-G19 PolarHBondContact O-N 3.12Å; I16-G19 PolarHBondContact O-N 3.45Å; G19-L22 PolarHBondContact O-N 2.75Å; G19-F23 WeakPolarHBondContact O-CB 3.35Å; G19-F23 PolarHBondContact O-N 2.66Å
20S90.3Very high89.6Confident70 Ų7082.8 Ų82.849%0.4946%0.459SS..Hα-helixtrans-64.5-41.2177.1-57.90000111.9I16 S17 F23 A24I16-S20 VanDerWaalsContact O-CB 3.29Å; I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 2.94Å; I16-S20 PolarHBondContact O-OG 3.28Å; S17-S20 PolarHBondContact O-N 3.2Å; S20-F23 PolarHBondContact O-N 2.9Å; S20-A24 VanDerWaalsContact O-CB 3.28Å; S20-A24 WeakPolarHBondContact O-CB 3.46Å; S20-A24 PolarHBondContact O-N 2.95Å
21L91.5Very high90.2Very high117 Ų11776.5 Ų76.561%0.61344%0.435SS*.Hα-helixtrans-63.4-48.3176.4-17964.4000111.1S17 S18 F23 A24 S25S17-L21 WeakPolarHBondContact O-CB 3.46Å; S17-L21 PolarHBondContact O-N 3.36Å; S18-L21 PolarHBondContact O-N 3.17Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 2.85Å; L21-A24 PolarHBondContact O-N 2.79Å; L21-S25 WeakPolarHBondContact O-CB 3.36Å; L21-S25 PolarHBondContact O-N 2.73Å; L21-S25 PolarHBondContact O-OG 3Å
22L93.1Very high90.7Very high127 Ų12774.8 Ų74.867%0.66543%0.429SS*.Hα-helixtrans-59.6-43.1177.3-73.6171.7000111.8S18 G19 S25 Y26S18-L22 WeakPolarHBondContact O-CG 3.27Å; S18-L22 PolarHBondContact O-N 2.96Å; G19-L22 PolarHBondContact O-N 2.75Å; L22-S25 PolarHBondContact O-N 2.98Å; L22-Y26 WeakPolarHBondContact O-CB 3.23Å; L22-Y26 PolarHBondContact O-N 3.4Å
23F93.6Very high91.4Very high128 Ų12875.3 Ų75.356%0.56142%0.424SS*.Hα-helixtrans-65.9-44.7177.8-174.3-118.3000112G19 S20 L21 S25 Y26 L27G19-F23 WeakPolarHBondContact O-CB 3.35Å; G19-F23 PolarHBondContact O-N 2.66Å; S20-F23 PolarHBondContact O-N 2.9Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 2.85Å; F23-S25 VanDerWaalsContact C-N 3.34Å; F23-S25 PolarHBondContact O-N 3.28Å; F23-Y26 WeakPolarHBondContact O-CB 3.32Å; F23-Y26 PolarHBondContact O-N 2.82Å; F23-L27 HydrophobicContact CD1-CD1 3.89Å; F23-L27 HydrophobicContact CD1-CG 4.49Å; F23-L27 HydrophobicContact CE1-CD1 3.49Å; F23-L27 VanDerWaalsContact CE1-CD1 3.49Å; F23-L27 HydrophobicContact CE1-CG 4.22Å; F23-L27 HydrophobicContact CE2-CD1 4.41Å; F23-L27 HydrophobicContact CE2-CD2 4.29Å; F23-L27 HydrophobicContact CE2-CG 4.28Å; F23-L27 HydrophobicContact CZ-CD1 3.78Å; F23-L27 HydrophobicContact CZ-CD2 4.11Å; F23-L27 HydrophobicContact CZ-CG 4.1Å; F23-L27 WeakPolarHBondContact O-CG 3.34Å; F23-L27 PolarHBondContact O-N 2.95Å
24A93.7Very high91.9Very high28 Ų2880.3 Ų80.323%0.23143%0.434CS..Hα-helixtrans-61.4-41.5174.500000112S20 L21 L27 T28 F35S20-A24 VanDerWaalsContact O-CB 3.28Å; S20-A24 WeakPolarHBondContact O-CB 3.46Å; S20-A24 PolarHBondContact O-N 2.95Å; L21-A24 PolarHBondContact O-N 2.79Å; A24-L27 PolarHBondContact O-N 2.84Å; A24-T28 WeakPolarHBondContact O-CB 3.48Å; A24-T28 PolarHBondContact O-N 3.24Å; A24-T28 PolarHBondContact O-OG1 2.98Å; A24-F35 HydrophobicContact CB-CE2 4.2Å; A24-F35 HydrophobicContact CB-CZ 3.8Å
25S93.4Very high92.6Very high57 Ų5775.8 Ų75.840%0.39941%0.414SS..Hα-helixtrans-62.4-43.4173.9-64.20000111.7L21 L22 F23 T28 V29L21-S25 WeakPolarHBondContact O-CB 3.36Å; L21-S25 PolarHBondContact O-N 2.73Å; L21-S25 PolarHBondContact O-OG 3Å; L22-S25 PolarHBondContact O-N 2.98Å; F23-S25 VanDerWaalsContact C-N 3.34Å; F23-S25 PolarHBondContact O-N 3.28Å; S25-T28 WeakPolarHBondContact O-CB 3.4Å; S25-T28 PolarHBondContact O-N 3.16Å; S25-V29 WeakPolarHBondContact O-CG2 3.36Å; S25-V29 PolarHBondContact O-N 3.38Å
26Y95.9Very high93.2Very high142 Ų14271.7 Ų71.756%0.55739%0.387SS*.Hα-helixtrans-58.4-52.3174.3171.4-100.4000111.2L22 F23 T28 V29 V30L22-Y26 WeakPolarHBondContact O-CB 3.23Å; L22-Y26 PolarHBondContact O-N 3.4Å; F23-Y26 WeakPolarHBondContact O-CB 3.32Å; F23-Y26 PolarHBondContact O-N 2.82Å; Y26-T28 VanDerWaalsContact C-N 3.27Å; Y26-T28 PolarHBondContact O-N 2.9Å; Y26-V29 PolarHBondContact O-N 2.97Å; Y26-V30 HydrophobicContact CD1-CG2 4.41Å; Y26-V30 HydrophobicContact CD2-CG1 3.96Å; Y26-V30 HydrophobicContact CE1-CG1 4.21Å; Y26-V30 HydrophobicContact CE1-CG2 4.09Å; Y26-V30 HydrophobicContact CE2-CG1 3.48Å; Y26-V30 VanDerWaalsContact CE2-CG1 3.48Å; Y26-V30 WeakPolarHBondContact O-CG2 3.47Å; Y26-V30 PolarHBondContact O-N 3.2Å
27L95.8Very high93.7Very high21 Ų2167.7 Ų67.711%0.1137%0.371CS..Hα-helixtrans-59-37178.4-67.7177.3000112.8F23 A24 G31 D32 F35F23-L27 HydrophobicContact CD1-CD1 3.89Å; F23-L27 HydrophobicContact CD1-CG 4.49Å; F23-L27 HydrophobicContact CE1-CD1 3.49Å; F23-L27 VanDerWaalsContact CE1-CD1 3.49Å; F23-L27 HydrophobicContact CE1-CG 4.22Å; F23-L27 HydrophobicContact CE2-CD1 4.41Å; F23-L27 HydrophobicContact CE2-CD2 4.29Å; F23-L27 HydrophobicContact CE2-CG 4.28Å; F23-L27 HydrophobicContact CZ-CD1 3.78Å; F23-L27 HydrophobicContact CZ-CD2 4.11Å; F23-L27 HydrophobicContact CZ-CG 4.1Å; F23-L27 WeakPolarHBondContact O-CG 3.34Å; F23-L27 PolarHBondContact O-N 2.95Å; A24-L27 PolarHBondContact O-N 2.84Å; L27-G31 PolarHBondContact O-N 3.46Å; L27-G31 VanDerWaalsContact O-N 3.13Å; L27-D32 HydrophobicContact CB-CB 4.2Å; L27-D32 HydrophobicContact CD2-CB 3.8Å; L27-D32 PolarHBondContact O-N 3.04Å; L27-F35 HydrophobicContact CB-CB 4.05Å; L27-F35 HydrophobicContact CB-CD1 3.56Å; L27-F35 HydrophobicContact CB-CD2 4.26Å; L27-F35 HydrophobicContact CB-CE1 4.07Å; L27-F35 HydrophobicContact CB-CG 3.67Å; L27-F35 HydrophobicContact CD1-CB 3.99Å; L27-F35 HydrophobicContact CD1-CD1 4.46Å; L27-F35 HydrophobicContact CD1-CD2 3.66Å; L27-F35 HydrophobicContact CD1-CE2 4.29Å; L27-F35 HydrophobicContact CD1-CG 3.76Å; L27-F35 HydrophobicContact CG-CG 4.37Å
28T93.6Very high94.2Very high43 Ų4369.9 Ų69.926%0.26438%0.378SS..Hα-helixtrans-62-50173-54.60000110.6A24 S25 Y26 G31 F35 Y36 L40A24-T28 WeakPolarHBondContact O-CB 3.48Å; A24-T28 PolarHBondContact O-N 3.24Å; A24-T28 PolarHBondContact O-OG1 2.98Å; S25-T28 WeakPolarHBondContact O-CB 3.4Å; S25-T28 PolarHBondContact O-N 3.16Å; Y26-T28 VanDerWaalsContact C-N 3.27Å; Y26-T28 PolarHBondContact O-N 2.9Å; T28-G31 PolarHBondContact O-N 3.31Å; T28-F35 WeakPolarHBondContact OG1-CE1 3.41Å; T28-Y36 WeakPolarHBondContact CG2-OH 3.45Å; T28-Y36 WeakPolarHBondContact O-CE2 3.19Å; T28-Y36 PolarHBondContact O-OH 3.07Å; T28-L40 HydrophobicContact CG2-CD2 4.05Å
29V95Very high94.7Very high83 Ų8373.1 Ų73.150%0.50339%0.387SS..Hα-helixtrans-67.7-40.5-177.2170.60000112.2S25 Y26 G31 P67 L68S25-V29 WeakPolarHBondContact O-CG2 3.36Å; S25-V29 PolarHBondContact O-N 3.38Å; Y26-V29 PolarHBondContact O-N 2.97Å; V29-G31 PolarHBondContact O-N 3.2Å; V29-P67 WeakPolarHBondContact O-CA 3.28Å; V29-L68 HydrophobicContact CG1-CD1 4.13Å; V29-L68 HydrophobicContact CG1-CG 4.26Å; V29-L68 PolarHBondContact O-N 3.08Å
30V95.2Very high95Very high46 Ų4672.8 Ų72.828%0.27938%0.376SS..Hα-helixtrans-78.3-8.5178.6-57.50000113.5Y26 D32Y26-V30 HydrophobicContact CD1-CG2 4.41Å; Y26-V30 HydrophobicContact CD2-CG1 3.96Å; Y26-V30 HydrophobicContact CE1-CG1 4.21Å; Y26-V30 HydrophobicContact CE1-CG2 4.09Å; Y26-V30 HydrophobicContact CE2-CG1 3.48Å; Y26-V30 VanDerWaalsContact CE2-CG1 3.48Å; Y26-V30 WeakPolarHBondContact O-CG2 3.47Å; Y26-V30 PolarHBondContact O-N 3.2Å; V30-D32 HydrophobicContact CG2-CB 4.48Å
31G94.9Very high95.3Very high12 Ų1270.7 Ų70.712%0.12436%0.359CS..THydrogen-bonded Turntrans72.242.1177.800000113.3L27 T28 V29 E33 P363L27-G31 PolarHBondContact O-N 3.46Å; L27-G31 VanDerWaalsContact O-N 3.13Å; T28-G31 PolarHBondContact O-N 3.31Å; V29-G31 PolarHBondContact O-N 3.2Å; G31-E33 PolarHBondContact O-N 3.1Å; G31-E33 VanDerWaalsContact O-N 3.15Å; G31-P363 WeakPolarHBondContact O-CB 3.44Å; G31-P363 WeakPolarHBondContact O-CG 3.45Å
32D96.4Very high95.5Very high62 Ų6267.1 Ų67.133%0.33234%0.342SS..  trans-64.3116179.3-178-87.7000111.4L27 V30 R34 F35 Y36L27-D32 HydrophobicContact CB-CB 4.2Å; L27-D32 HydrophobicContact CD2-CB 3.8Å; L27-D32 PolarHBondContact O-N 3.04Å; V30-D32 HydrophobicContact CG2-CB 4.48Å; D32-R34 VanDerWaalsContact C-N 3.32Å; D32-R34 PolarHBondContact O-N 3.43Å; D32-R34 PolarHBondContact OD1-N 3.3Å; D32-R34 VanDerWaalsContact OD1-N 3.17Å; D32-F35 HydrophobicContact CB-CB 3.96Å; D32-F35 PolarHBondContact O-N 3.22Å; D32-F35 WeakPolarHBondContact OD1-CB 3.47Å; D32-F35 PolarHBondContact OD1-N 3.46Å; D32-Y36 WeakPolarHBondContact O-CD2 3.44Å; D32-Y36 PolarHBondContact O-N 2.64Å
33E95.5Very high95.6Very high52 Ų5265.7 Ų65.724%0.24334%0.335CS..Hα-helixtrans-57.9-41.8-173.6-69.4171.4-159.800112.7G31 A37 P363 R370G31-E33 PolarHBondContact O-N 3.1Å; G31-E33 VanDerWaalsContact O-N 3.15Å; E33-A37 WeakPolarHBondContact O-CB 3.32Å; E33-A37 PolarHBondContact O-N 3.36Å; E33-P363 HydrophobicContact CB-CB 4.29Å; E33-P363 HydrophobicContact CG-CB 3.56Å; E33-R370 IonicContact OE1-CZ 2.73Å; E33-R370 IonicContact OE1-NH1 3.79Å; E33-R370 PolarHBondContact OE1-NH1 3.5Å; E33-R370 IonicContact OE1-NH2 2.79Å; E33-R370 PolarHBondContact OE1-NH2 2.77Å; E33-R370 IonicContact OE2-CZ 2.67Å; E33-R370 IonicContact OE2-NH1 2.66Å; E33-R370 IonicContact OE2-NH2 3.73Å; E33-R370 PolarHBondContact OE2-NH2 3.45Å
34R96.6Very high95.7Very high196 Ų19663.2 Ų63.274%0.7433%0.327SS*.Hα-helixtrans-72.6-41.6-176.8-67.4-178.9178.9177.30.2111D32 N38D32-R34 VanDerWaalsContact C-N 3.32Å; D32-R34 PolarHBondContact O-N 3.43Å; D32-R34 PolarHBondContact OD1-N 3.3Å; D32-R34 VanDerWaalsContact OD1-N 3.17Å; R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 PolarHBondContact O-N 3.16Å; R34-N38 PolarHBondContact O-ND2 2.82Å
35F97.4Very high95.7Very high34 Ų3463.5 Ų63.515%0.14932%0.324CS..Hα-helixtrans-62.9-45.5176.4177.8-106.2000111.5A24 L27 T28 D32 Q39 L40A24-F35 HydrophobicContact CB-CE2 4.2Å; A24-F35 HydrophobicContact CB-CZ 3.8Å; L27-F35 HydrophobicContact CB-CB 4.05Å; L27-F35 HydrophobicContact CB-CD1 3.56Å; L27-F35 HydrophobicContact CB-CD2 4.26Å; L27-F35 HydrophobicContact CB-CE1 4.07Å; L27-F35 HydrophobicContact CB-CG 3.67Å; L27-F35 HydrophobicContact CD1-CB 3.99Å; L27-F35 HydrophobicContact CD1-CD1 4.46Å; L27-F35 HydrophobicContact CD1-CD2 3.66Å; L27-F35 HydrophobicContact CD1-CE2 4.29Å; L27-F35 HydrophobicContact CD1-CG 3.76Å; L27-F35 HydrophobicContact CG-CG 4.37Å; T28-F35 WeakPolarHBondContact OG1-CE1 3.41Å; D32-F35 HydrophobicContact CB-CB 3.96Å; D32-F35 PolarHBondContact O-N 3.22Å; D32-F35 WeakPolarHBondContact OD1-CB 3.47Å; D32-F35 PolarHBondContact OD1-N 3.46Å; F35-Q39 HydrophobicContact CD2-CB 4.03Å; F35-Q39 HydrophobicContact CD2-CG 4.34Å; F35-Q39 HydrophobicContact CE2-CB 4.11Å; F35-Q39 WeakPolarHBondContact O-CA 3.48Å; F35-Q39 WeakPolarHBondContact O-CB 3.39Å; F35-Q39 PolarHBondContact O-N 3.23Å; F35-L40 HydrophobicContact CD1-CB 4.26Å; F35-L40 HydrophobicContact CE1-CB 3.83Å; F35-L40 HydrophobicContact CE1-CD2 4.02Å; F35-L40 HydrophobicContact CE1-CG 4.4Å; F35-L40 HydrophobicContact CZ-CB 4.18Å; F35-L40 PolarHBondContact O-N 3.13Å
36Y97.7Very high95.7Very high16 Ų1671.3 Ų71.36%0.06335%0.345CS..Iπ-helixtrans-60-56.5176-93.3-91.3000111.7T28 D32 L40 M41 P67 Q360 P362 P363T28-Y36 WeakPolarHBondContact CG2-OH 3.45Å; T28-Y36 WeakPolarHBondContact O-CE2 3.19Å; T28-Y36 PolarHBondContact O-OH 3.07Å; D32-Y36 WeakPolarHBondContact O-CD2 3.44Å; D32-Y36 PolarHBondContact O-N 2.64Å; Y36-L40 HydrophobicContact CD1-CD2 3.92Å; Y36-L40 HydrophobicContact CE1-CD2 3.6Å; Y36-L40 HydrophobicContact CE2-CD2 4.39Å; Y36-L40 HydrophobicContact CG-CD2 4.43Å; Y36-M41 HydrophobicContact CD1-CG 4.23Å; Y36-M41 HydrophobicContact CD1-SD 4.33Å; Y36-M41 VanDerWaalsContact O-CB 3.24Å; Y36-M41 WeakPolarHBondContact O-CB 3.43Å; Y36-M41 VanDerWaalsContact O-CG 3.22Å; Y36-M41 WeakPolarHBondContact O-CG 3.39Å; Y36-M41 PolarHBondContact O-N 3.09Å; Y36-P67 HydrophobicContact CE2-CG 4.19Å; Y36-P67 VanDerWaalsContact OH-CG 3.24Å; Y36-P67 WeakPolarHBondContact OH-CG 3.5Å; Y36-Q360 WeakPolarHBondContact CB-O 3.07Å; Y36-P362 HydrophobicContact CE1-CG 4.4Å; Y36-P363 HydrophobicContact CD1-CG 4.46Å; Y36-P363 HydrophobicContact CD2-CG 3.58Å; Y36-P363 HydrophobicContact CE2-CG 4.06Å; Y36-P363 HydrophobicContact CG-CG 3.8Å
37A96.2Very high95.6Very high30 Ų3070.5 Ų70.525%0.24835%0.349CS..Iπ-helixtrans-69.1-37.8-172.700000113.4E33 P42 Q360E33-A37 WeakPolarHBondContact O-CB 3.32Å; E33-A37 PolarHBondContact O-N 3.36Å; A37-P42 WeakPolarHBondContact O-CD 3.42Å; A37-P42 WeakPolarHBondContact O-CG 3.45Å; A37-Q360 HydrophobicContact CB-CB 4.44Å; A37-Q360 HydrophobicContact CB-CG 4.46Å
38N96.7Very high95.6Very high107 Ų10771.4 Ų71.457%0.57236%0.356SS*.Iπ-helixtrans-99.9-19.3-170.4-58-34.1000114R34R34-N38 WeakPolarHBondContact O-CB 3.31Å; R34-N38 PolarHBondContact O-N 3.16Å; R34-N38 PolarHBondContact O-ND2 2.82Å
39Q96.3Very high95.7Very high126 Ų12671.2 Ų71.259%0.58936%0.362SS*.Iπ-helixtrans-126.1-62.3-174.5-56.3-69.522.400112.6F35 L43F35-Q39 HydrophobicContact CD2-CB 4.03Å; F35-Q39 HydrophobicContact CD2-CG 4.34Å; F35-Q39 HydrophobicContact CE2-CB 4.11Å; F35-Q39 WeakPolarHBondContact O-CA 3.48Å; F35-Q39 WeakPolarHBondContact O-CB 3.39Å; F35-Q39 PolarHBondContact O-N 3.23Å; Q39-L43 WeakPolarHBondContact O-CB 3.32Å; Q39-L43 PolarHBondContact O-N 2.78Å; Q39-L43 VanDerWaalsContact O-N 3.13Å
40L96.4Very high95.8Very high31 Ų3169 Ų6916%0.16235%0.35CS..Iπ-helixtrans-67.8-51.5-170.8179.361.2000112.1T28 F35 Y36 L43 L44T28-L40 HydrophobicContact CG2-CD2 4.05Å; F35-L40 HydrophobicContact CD1-CB 4.26Å; F35-L40 HydrophobicContact CE1-CB 3.83Å; F35-L40 HydrophobicContact CE1-CD2 4.02Å; F35-L40 HydrophobicContact CE1-CG 4.4Å; F35-L40 HydrophobicContact CZ-CB 4.18Å; F35-L40 PolarHBondContact O-N 3.13Å; Y36-L40 HydrophobicContact CD1-CD2 3.92Å; Y36-L40 HydrophobicContact CE1-CD2 3.6Å; Y36-L40 HydrophobicContact CE2-CD2 4.39Å; Y36-L40 HydrophobicContact CG-CD2 4.43Å; L40-L43 PolarHBondContact O-N 2.84Å; L40-L44 HydrophobicContact CD1-CD1 3.91Å; L40-L44 HydrophobicContact CD1-CG 4.02Å; L40-L44 HydrophobicContact CG-CD1 3.92Å; L40-L44 HydrophobicContact CG-CG 4.4Å; L40-L44 VanDerWaalsContact O-CG 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 3.19Å
41M96.9Very high95.9Very high26 Ų2668 Ų6813%0.12834%0.342CS..Hα-helixtrans-64.8-45.8-178-65.1-62.3-65.500112.4Y36 L43 L44 Q45 T358 Y359Y36-M41 HydrophobicContact CD1-CG 4.23Å; Y36-M41 HydrophobicContact CD1-SD 4.33Å; Y36-M41 VanDerWaalsContact O-CB 3.24Å; Y36-M41 WeakPolarHBondContact O-CB 3.43Å; Y36-M41 VanDerWaalsContact O-CG 3.22Å; Y36-M41 WeakPolarHBondContact O-CG 3.39Å; Y36-M41 PolarHBondContact O-N 3.09Å; M41-L43 VanDerWaalsContact C-N 3.3Å; M41-L43 PolarHBondContact O-N 3.18Å; M41-L44 PolarHBondContact O-N 2.7Å; M41-L44 HydrophobicContact SD-CD1 4.44Å; M41-Q45 WeakPolarHBondContact O-CB 3.38Å; M41-Q45 WeakPolarHBondContact O-CG 3.42Å; M41-Q45 PolarHBondContact O-N 3.37Å; M41-T358 WeakPolarHBondContact CE-O 3.44Å; M41-Y359 WeakPolarHBondContact CB-O 3.48Å
42P96.1Very high96.1Very high42 Ų4271.9 Ų71.927%0.27336%0.363SS..Hα-helixtrans-56.7-40.8173.2-28.136.6000113.5A37 R46A37-P42 WeakPolarHBondContact O-CD 3.42Å; A37-P42 WeakPolarHBondContact O-CG 3.45Å; P42-R46 WeakPolarHBondContact O-CG 3.19Å; P42-R46 PolarHBondContact O-N 3.34Å
43L95.4Very high96.1Very high98 Ų9870 Ų7051%0.51336%0.356SS..Hα-helixtrans-63.7-50.6176178.763.8000111.4Q39 L40 M41 Q45 R46 L47Q39-L43 WeakPolarHBondContact O-CB 3.32Å; Q39-L43 PolarHBondContact O-N 2.78Å; Q39-L43 VanDerWaalsContact O-N 3.13Å; L40-L43 PolarHBondContact O-N 2.84Å; M41-L43 VanDerWaalsContact C-N 3.3Å; M41-L43 PolarHBondContact O-N 3.18Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; L43-Q45 PolarHBondContact O-N 3.18Å; L43-R46 PolarHBondContact O-N 3.18Å; L43-L47 HydrophobicContact CD1-CD1 4.06Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CG-CD1 4.04Å; L43-L47 WeakPolarHBondContact O-CG 3.29Å; L43-L47 PolarHBondContact O-N 2.84Å
44L94.7Very high96.3Very high76 Ų7668.6 Ų68.640%0.39835%0.349SS..Hα-helixtrans-61.2-38.1-179.9-70.2176.5000112.4L40 M41 R46 L47 V48L40-L44 HydrophobicContact CD1-CD1 3.91Å; L40-L44 HydrophobicContact CD1-CG 4.02Å; L40-L44 HydrophobicContact CG-CD1 3.92Å; L40-L44 HydrophobicContact CG-CG 4.4Å; L40-L44 VanDerWaalsContact O-CG 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 3.19Å; M41-L44 PolarHBondContact O-N 2.7Å; M41-L44 HydrophobicContact SD-CD1 4.44Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 2.96Å; L44-L47 PolarHBondContact O-N 3.06Å; L44-V48 PolarHBondContact O-N 3.46Å
45Q93.4Very high96.3Very high34 Ų3463.4 Ų63.416%0.15934%0.34CS..Hα-helixtrans-65.5-32.8178.6-72.4163.211.800112.7M41 L43 R134 T358M41-Q45 WeakPolarHBondContact O-CB 3.38Å; M41-Q45 WeakPolarHBondContact O-CG 3.42Å; M41-Q45 PolarHBondContact O-N 3.37Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; L43-Q45 PolarHBondContact O-N 3.18Å; Q45-R134 PolarHBondContact O-NH1 3.13Å; Q45-T358 PolarHBondContact NE2-O 3.46Å
46R93.3Very high96.3Very high221 Ų22166.2 Ų66.283%0.83436%0.355SS*.Hα-helixtrans-72.8-32.7174.5-71.4175.6179.9177.60.9112.7P42 L43 L44P42-R46 WeakPolarHBondContact O-CG 3.19Å; P42-R46 PolarHBondContact O-N 3.34Å; L43-R46 PolarHBondContact O-N 3.18Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 2.96Å
47L94.7Very high96.3Very high125 Ų12567.9 Ų67.965%0.65437%0.37SS*.Hα-helixtrans-86.4-30.2-175.9-64.6175.7000113.4L43 L44L43-L47 HydrophobicContact CD1-CD1 4.06Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CG-CD1 4.04Å; L43-L47 WeakPolarHBondContact O-CG 3.29Å; L43-L47 PolarHBondContact O-N 2.84Å; L44-L47 PolarHBondContact O-N 3.06Å
48V95.1Very high96.4Very high40 Ų4066.8 Ų66.824%0.24236%0.36CS..SBendtrans-129.9127.1-170.3-170.10000111L44 T52 A53 R134L44-V48 PolarHBondContact O-N 3.46Å; V48-T52 HydrophobicContact CG1-CG2 3.74Å; V48-A53 HydrophobicContact CB-CB 4.32Å; V48-A53 HydrophobicContact CG1-CB 3.94Å; V48-R134 PolarHBondContact O-NH1 2.85Å; V48-R134 PolarHBondContact O-NH2 3.01Å
49G96.4Very high96.5Very high39 Ų3968.3 Ų68.340%0.40236%0.361SS..  trans-58.3154.617500000113.1E51 T52 A53G49-E51 PolarHBondContact O-N 3.31Å; G49-T52 PolarHBondContact O-N 3.42Å; G49-A53 WeakPolarHBondContact O-CB 3.47Å; G49-A53 PolarHBondContact O-N 2.86Å
50P97.1Very high96.6Very high37 Ų3766 Ų6624%0.2435%0.351CS..Hα-helixtrans-56.7-46.2-171.818.1-30.2000114.4A53 H54 V132 R134P50-A53 PolarHBondContact O-N 3.28Å; P50-H54 WeakPolarHBondContact O-CB 3.42Å; P50-H54 PolarHBondContact O-N 3.11Å; P50-V132 HydrophobicContact CB-CB 4.1Å; P50-V132 HydrophobicContact CB-CG1 4.28Å; P50-V132 HydrophobicContact CG-CB 4.16Å; P50-V132 WeakPolarHBondContact CG-O 3.47Å; P50-R134 HydrophobicContact CB-CG 3.91Å; P50-R134 HydrophobicContact CG-CG 4.4Å
51E97.9Very high96.7Very high23 Ų2365 Ų6511%0.10735%0.346CS..Hα-helixtrans-69.8-41.2-177.7-169.7168.7176.800112.2G49 H54 V55 K129 R131 V132 Y145G49-E51 PolarHBondContact O-N 3.31Å; E51-H54 WeakPolarHBondContact O-CB 3.37Å; E51-H54 PolarHBondContact O-N 2.81Å; E51-V55 WeakPolarHBondContact O-CG2 3.37Å; E51-V55 PolarHBondContact O-N 3.45Å; E51-K129 VanDerWaalsContact CD-CE 3.46Å; E51-K129 WeakPolarHBondContact OE1-CE 3.16Å; E51-K129 IonicContact OE1-NZ 2.99Å; E51-K129 PolarHBondContact OE1-NZ 3.48Å; E51-K129 WeakPolarHBondContact OE2-CD 3.33Å; E51-K129 WeakPolarHBondContact OE2-CE 3.08Å; E51-K129 WeakPolarHBondContact OE2-CG 3.2Å; E51-K129 IonicContact OE2-NZ 3.43Å; E51-R131 IonicContact OE1-CZ 2.76Å; E51-R131 VanDerWaalsContact OE1-CZ 3.29Å; E51-R131 IonicContact OE1-NE 2.7Å; E51-R131 PolarHBondContact OE1-NE 2.94Å; E51-R131 IonicContact OE1-NH2 4Å; E51-R131 PolarHBondContact OE1-NH2 3.34Å; E51-R131 WeakPolarHBondContact OE2-CG 3.42Å; E51-R131 IonicContact OE2-NE 3.25Å; E51-R131 PolarHBondContact OE2-NE 3.41Å; E51-V132 HydrophobicContact CB-CG2 3.94Å; E51-V132 HydrophobicContact CG-CG2 4.35Å; E51-Y145 HydrophobicContact CG-CE1 4.13Å
52T97.9Very high96.7Very high95 Ų9565.7 Ų65.758%0.58336%0.359SS*.Hα-helixtrans-64.6-43175.7-54.90000111.4V48 G49 H54 V55 L56V48-T52 HydrophobicContact CG1-CG2 3.74Å; G49-T52 PolarHBondContact O-N 3.42Å; T52-H54 VanDerWaalsContact C-N 3.28Å; T52-H54 PolarHBondContact O-N 2.91Å; T52-V55 PolarHBondContact O-N 3.2Å; T52-L56 WeakPolarHBondContact O-CB 3.37Å; T52-L56 PolarHBondContact O-N 2.92Å
53A97.5Very high96.8Very high21 Ų2169 Ų6917%0.17438%0.375CS..Hα-helixtrans-62.1-38.6176.600000111.5V48 G49 P50 S57V48-A53 HydrophobicContact CB-CB 4.32Å; V48-A53 HydrophobicContact CG1-CB 3.94Å; G49-A53 WeakPolarHBondContact O-CB 3.47Å; G49-A53 PolarHBondContact O-N 2.86Å; P50-A53 PolarHBondContact O-N 3.28Å; A53-S57 WeakPolarHBondContact O-CB 3.49Å; A53-S57 PolarHBondContact O-N 3.07Å; A53-S57 PolarHBondContact O-OG 3.19Å
54H98.1Very high96.9Very high23 Ų2365.4 Ų65.411%0.10636%0.361CS..Hα-helixtrans-62.9-52.6175.7176.969.2000111.9P50 E51 T52 L56 S57 V58 F96 Y354P50-H54 WeakPolarHBondContact O-CB 3.42Å; P50-H54 PolarHBondContact O-N 3.11Å; E51-H54 WeakPolarHBondContact O-CB 3.37Å; E51-H54 PolarHBondContact O-N 2.81Å; T52-H54 VanDerWaalsContact C-N 3.28Å; T52-H54 PolarHBondContact O-N 2.91Å; H54-L56 VanDerWaalsContact C-N 3.31Å; H54-L56 PolarHBondContact O-N 3.31Å; H54-S57 WeakPolarHBondContact O-CB 3.5Å; H54-S57 PolarHBondContact O-N 3.26Å; H54-S57 VanDerWaalsContact O-N 3.08Å; H54-V58 WeakPolarHBondContact O-CG2 3.35Å; H54-V58 PolarHBondContact O-N 2.8Å; H54-F96 AromaticContact CE1-CD2 3.89Å; H54-F96 PolarHBondContact CE1-O 3.3Å; H54-F96 PolarHBondContact NE2-O 3.4Å; H54-Y354 PolarHBondContact CE1-OH 3.19Å; H54-Y354 PolarHBondContact ND1-OH 3.31Å
55V97.8Very high96.9Very high88 Ų8866.7 Ų66.753%0.53337%0.368SS..Hα-helixtrans-57.9-44.3177.9171.90000111.3E51 T52 S57 V58 K59E51-V55 WeakPolarHBondContact O-CG2 3.37Å; E51-V55 PolarHBondContact O-N 3.45Å; T52-V55 PolarHBondContact O-N 3.2Å; V55-S57 VanDerWaalsContact C-N 3.34Å; V55-S57 PolarHBondContact O-N 3.25Å; V55-V58 PolarHBondContact O-N 3.12Å; V55-K59 WeakPolarHBondContact O-CB 3.38Å; V55-K59 PolarHBondContact O-N 3.37Å
56L97.6Very high97.1Very high92 Ų9266.1 Ų66.148%0.48237%0.366SS..Hα-helixtrans-62.7-42.2176.5-17861.5000111.4T52 H54 K59 M60T52-L56 WeakPolarHBondContact O-CB 3.37Å; T52-L56 PolarHBondContact O-N 2.92Å; H54-L56 VanDerWaalsContact C-N 3.31Å; H54-L56 PolarHBondContact O-N 3.31Å; L56-K59 PolarHBondContact O-N 2.92Å; L56-M60 HydrophobicContact CD1-CG 3.99Å; L56-M60 HydrophobicContact CD1-SD 4.46Å; L56-M60 HydrophobicContact CG-CG 4.22Å; L56-M60 WeakPolarHBondContact O-CB 3.47Å; L56-M60 WeakPolarHBondContact O-CG 3.44Å; L56-M60 PolarHBondContact O-N 3.09Å
57S97.7Very high97.2Very high52 Ų5256.2 Ų56.236%0.36433%0.331SS..Hα-helixtrans-62.1-47.8179.1-59.90000111.6A53 H54 V55 K59 M60 I61A53-S57 WeakPolarHBondContact O-CB 3.49Å; A53-S57 PolarHBondContact O-N 3.07Å; A53-S57 PolarHBondContact O-OG 3.19Å; H54-S57 WeakPolarHBondContact O-CB 3.5Å; H54-S57 PolarHBondContact O-N 3.26Å; H54-S57 VanDerWaalsContact O-N 3.08Å; V55-S57 VanDerWaalsContact C-N 3.34Å; V55-S57 PolarHBondContact O-N 3.25Å; S57-K59 VanDerWaalsContact C-N 3.33Å; S57-K59 PolarHBondContact O-N 2.89Å; S57-M60 PolarHBondContact O-N 3.35Å; S57-I61 WeakPolarHBondContact O-CB 3.36Å; S57-I61 WeakPolarHBondContact O-CD1 3.3Å; S57-I61 WeakPolarHBondContact O-CG1 3.35Å; S57-I61 PolarHBondContact O-N 3.31Å
58V98.5Very high97.1Very high6 Ų654.5 Ų54.54%0.03632%0.322CS..Hα-helixtrans-58.2-46.6176.7173.30000110.3H54 V55 I61 G62 F96 E101 A102H54-V58 WeakPolarHBondContact O-CG2 3.35Å; H54-V58 PolarHBondContact O-N 2.8Å; V55-V58 PolarHBondContact O-N 3.12Å; V58-I61 PolarHBondContact O-N 3.15Å; V58-G62 PolarHBondContact O-N 3.3Å; V58-F96 HydrophobicContact CG2-CD1 4.3Å; V58-F96 HydrophobicContact CG2-CE1 3.92Å; V58-F96 HydrophobicContact CG2-CZ 4.16Å; V58-E101 HydrophobicContact CG1-CB 3.85Å; V58-A102 HydrophobicContact CG1-CB 4.02Å
59K98.4Very high96.9Very high140 Ų14055 Ų5561%0.60932%0.323SS*.Hα-helixtrans-61-47.7178-173.5175.4-177.4177.30112.7V55 L56 S57 G62 L63V55-K59 WeakPolarHBondContact O-CB 3.38Å; V55-K59 PolarHBondContact O-N 3.37Å; L56-K59 PolarHBondContact O-N 2.92Å; S57-K59 VanDerWaalsContact C-N 3.33Å; S57-K59 PolarHBondContact O-N 2.89Å; K59-G62 PolarHBondContact O-N 2.99Å; K59-L63 HydrophobicContact CG-CD1 4.33Å; K59-L63 VanDerWaalsContact O-CG 3.32Å; K59-L63 WeakPolarHBondContact O-CG 3.43Å; K59-L63 PolarHBondContact O-N 3.41Å
60M97.8Very high96.6Very high76 Ų7663 Ų6337%0.37434%0.341SS..Hα-helixtrans-64.4-41.9-179.7-68-65.2-72.800111.5L56 S57 L63 G64 L65L56-M60 HydrophobicContact CD1-CG 3.99Å; L56-M60 HydrophobicContact CD1-SD 4.46Å; L56-M60 HydrophobicContact CG-CG 4.22Å; L56-M60 WeakPolarHBondContact O-CB 3.47Å; L56-M60 WeakPolarHBondContact O-CG 3.44Å; L56-M60 PolarHBondContact O-N 3.09Å; S57-M60 PolarHBondContact O-N 3.35Å; M60-L63 PolarHBondContact O-N 2.83Å; M60-G64 PolarHBondContact O-N 3.21Å; M60-L65 HydrophobicContact CB-CB 4.46Å; M60-L65 HydrophobicContact CE-CB 3.78Å; M60-L65 HydrophobicContact CE-CD1 3.41Å; M60-L65 VanDerWaalsContact CE-CD1 3.41Å; M60-L65 HydrophobicContact CE-CG 4.24Å; M60-L65 WeakPolarHBondContact O-CB 3.33Å; M60-L65 PolarHBondContact O-N 3.07Å; M60-L65 HydrophobicContact SD-CD1 3.73Å
61I98.4Very high96.5Very high12 Ų1263.5 Ų63.56%0.06234%0.339CS..Hα-helixtrans-65.6-42.4176-66.1164.6000110.5S57 V58 L63 G64 V66 F96 A102 G105 L106 L109S57-I61 WeakPolarHBondContact O-CB 3.36Å; S57-I61 WeakPolarHBondContact O-CD1 3.3Å; S57-I61 WeakPolarHBondContact O-CG1 3.35Å; S57-I61 PolarHBondContact O-N 3.31Å; V58-I61 PolarHBondContact O-N 3.15Å; I61-L63 VanDerWaalsContact C-N 3.28Å; I61-L63 PolarHBondContact O-N 3.36Å; I61-G64 WeakPolarHBondContact O-CA 3.2Å; I61-G64 PolarHBondContact O-N 2.99Å; I61-V66 HydrophobicContact CB-CG1 4.17Å; I61-V66 HydrophobicContact CG1-CG1 3.86Å; I61-V66 HydrophobicContact CG2-CG1 4.13Å; I61-F96 HydrophobicContact CD1-CE1 3.83Å; I61-F96 HydrophobicContact CD1-CZ 3.6Å; I61-A102 HydrophobicContact CB-CB 4.22Å; I61-A102 HydrophobicContact CG2-CB 3.93Å; I61-G105 VanDerWaalsContact CG2-C 3.41Å; I61-G105 WeakPolarHBondContact O-CA 3.31Å; I61-L106 HydrophobicContact CD1-CD2 4.49Å; I61-L106 HydrophobicContact CG2-CD2 4.25Å; I61-L106 HydrophobicContact CG2-CG 4.03Å; I61-L109 HydrophobicContact CD1-CD1 4Å; I61-L109 HydrophobicContact CG1-CD1 4.31Å
62G97.9Very high96.4Very high39 Ų3969.5 Ų69.540%0.40237%0.366SS..Hα-helixtrans-61.1-33.7175.400000113.7V58 K59 G64 E101V58-G62 PolarHBondContact O-N 3.3Å; K59-G62 PolarHBondContact O-N 2.99Å; G62-G64 PolarHBondContact O-N 3.15Å; G62-E101 WeakPolarHBondContact CA-O 3.15Å
63L97.8Very high96.4Very high113 Ų11366.4 Ų66.459%0.59235%0.346SS*.THydrogen-bonded Turntrans-76.1-1.1171.1-66.3173.2000113.5K59 M60 I61 L65K59-L63 HydrophobicContact CG-CD1 4.33Å; K59-L63 VanDerWaalsContact O-CG 3.32Å; K59-L63 WeakPolarHBondContact O-CG 3.43Å; K59-L63 PolarHBondContact O-N 3.41Å; M60-L63 PolarHBondContact O-N 2.83Å; I61-L63 VanDerWaalsContact C-N 3.28Å; I61-L63 PolarHBondContact O-N 3.36Å; L63-L65 HydrophobicContact CB-CD1 4.17Å; L63-L65 HydrophobicContact CB-CG 4.02Å; L63-L65 HydrophobicContact CD1-CD1 4.28Å; L63-L65 PolarHBondContact O-N 2.94Å
64G96.3Very high96.4Very high22 Ų2266.9 Ų66.923%0.22735%0.348CS..THydrogen-bonded Turntrans71.712.7-177.400000114.3M60 I61 G62 V66 K108M60-G64 PolarHBondContact O-N 3.21Å; I61-G64 WeakPolarHBondContact O-CA 3.2Å; I61-G64 PolarHBondContact O-N 2.99Å; G62-G64 PolarHBondContact O-N 3.15Å; G64-V66 PolarHBondContact O-N 3.19Å; G64-K108 PolarHBondContact O-NZ 3.1Å
65L96.5Very high96.4Very high103 Ų10371.6 Ų71.654%0.53938%0.378SS..  trans-79.569.6176.6-60.2177.7000109.6M60 L63M60-L65 HydrophobicContact CB-CB 4.46Å; M60-L65 HydrophobicContact CE-CB 3.78Å; M60-L65 HydrophobicContact CE-CD1 3.41Å; M60-L65 VanDerWaalsContact CE-CD1 3.41Å; M60-L65 HydrophobicContact CE-CG 4.24Å; M60-L65 WeakPolarHBondContact O-CB 3.33Å; M60-L65 PolarHBondContact O-N 3.07Å; M60-L65 HydrophobicContact SD-CD1 3.73Å; L63-L65 HydrophobicContact CB-CD1 4.17Å; L63-L65 HydrophobicContact CB-CG 4.02Å; L63-L65 HydrophobicContact CD1-CD1 4.28Å; L63-L65 PolarHBondContact O-N 2.94Å
66V96.3Very high96.4Very high21 Ų2168.2 Ų68.213%0.12736%0.359CS..  trans-123.5155.8-178-62.90000111I61 G64 K108 L109I61-V66 HydrophobicContact CB-CG1 4.17Å; I61-V66 HydrophobicContact CG1-CG1 3.86Å; I61-V66 HydrophobicContact CG2-CG1 4.13Å; G64-V66 PolarHBondContact O-N 3.19Å; V66-K108 HydrophobicContact CG2-CB 4.14Å; V66-K108 HydrophobicContact CG2-CD 3.51Å; V66-K108 HydrophobicContact CG2-CG 3.67Å; V66-L109 HydrophobicContact CB-CD2 3.46Å; V66-L109 VanDerWaalsContact CB-CD2 3.46Å; V66-L109 HydrophobicContact CB-CG 4.35Å; V66-L109 HydrophobicContact CG1-CD2 3.64Å; V66-L109 HydrophobicContact CG1-CG 4.07Å; V66-L109 HydrophobicContact CG2-CD2 4.1Å
67P96Very high96.5Very high14 Ų1463.9 Ų63.99%0.09134%0.336CS..  trans-57.1154.3174.5-25.236.9000112.2V29 Y36 N69 P362V29-P67 WeakPolarHBondContact O-CA 3.28Å; Y36-P67 HydrophobicContact CE2-CG 4.19Å; Y36-P67 VanDerWaalsContact OH-CG 3.24Å; Y36-P67 WeakPolarHBondContact OH-CG 3.5Å; P67-N69 PolarHBondContact O-N 2.86Å; P67-P362 HydrophobicContact CG-CB 4.08Å; P67-P362 HydrophobicContact CG-CG 4.21Å
68L92.3Very high96.5Very high88 Ų8863.8 Ų63.846%0.46133%0.33SS..  trans-64.5123.2173.2-65.9175.1000109.7V29V29-L68 HydrophobicContact CG1-CD1 4.13Å; V29-L68 HydrophobicContact CG1-CG 4.26Å; V29-L68 PolarHBondContact O-N 3.08Å
69N91.6Very high96.6Very high50 Ų5063.6 Ų63.627%0.26733%0.329SS..  trans-104.7112.7169.2-167-8.2000109.8P67 Y71 L109 G110 T366P67-N69 PolarHBondContact O-N 2.86Å; N69-Y71 VanDerWaalsContact OD1-CB 3.27Å; N69-Y71 WeakPolarHBondContact OD1-CB 2.92Å; N69-Y71 PolarHBondContact OD1-N 3.06Å; N69-L109 PolarHBondContact ND2-O 2.6Å; N69-G110 WeakPolarHBondContact ND2-CA 3.38Å; N69-T366 PolarHBondContact ND2-OG1 3.46Å; N69-T366 PolarHBondContact OD1-OG1 2.66Å
70R90.4Very high96.6Very high207 Ų20762 Ų6278%0.78133%0.326SS*.  trans-102.8-1.4176.6-63.7-176.6-179.6178.10.6113.2Q72R70-Q72 PolarHBondContact O-N 2.75Å
71Y94.3Very high96.6Very high49 Ų4959 Ų5919%0.19231%0.312CS..PPolyproline II helixtrans-71124.5-178.9-172.6-95.6000110.3N69 D73 T366 K369 R370 E373N69-Y71 VanDerWaalsContact OD1-CB 3.27Å; N69-Y71 WeakPolarHBondContact OD1-CB 2.92Å; N69-Y71 PolarHBondContact OD1-N 3.06Å; Y71-D73 WeakPolarHBondContact CE1-OD1 3.49Å; Y71-T366 HydrophobicContact CD2-CG2 3.82Å; Y71-T366 HydrophobicContact CG-CG2 3.72Å; Y71-K369 HydrophobicContact CE1-CB 3.84Å; Y71-K369 HydrophobicContact CE1-CD 4.48Å; Y71-R370 HydrophobicContact CE2-CB 3.9Å; Y71-R370 HydrophobicContact CE2-CG 4.42Å; Y71-R370 WeakPolarHBondContact OH-CA 3.44Å; Y71-E373 PolarHBondContact OH-OE2 2.8Å
72Q96.3Very high96.5Very high148 Ų14859.7 Ų59.769%0.69232%0.315SS*.PPolyproline II helixtrans-95.7123.6172.9-64.1-60.6-29.300108.4R70 P74R70-Q72 PolarHBondContact O-N 2.75Å; Q72-P74 WeakPolarHBondContact O-CD 3.29Å
73D97.7Very high96.5Very high31 Ų3161.1 Ų61.117%0.16633%0.33CS..PPolyproline II helixtrans-66121.3178.4-65.5-40.5000110Y71 K87 N88 K369Y71-D73 WeakPolarHBondContact CE1-OD1 3.49Å; D73-K87 HydrophobicContact CB-CD 4.5Å; D73-K87 HydrophobicContact CB-CG 4.01Å; D73-N88 HydrophobicContact CB-CB 4.39Å; D73-N88 PolarHBondContact OD2-ND2 2.97Å; D73-K369 WeakPolarHBondContact OD1-CD 3.38Å; D73-K369 VanDerWaalsContact OD1-CE 3.23Å; D73-K369 WeakPolarHBondContact OD1-CE 3.35Å; D73-K369 IonicContact OD1-NZ 3.83Å; D73-K369 PolarHBondContact OD1-NZ 3.21Å; D73-K369 IonicContact OD2-NZ 3.52Å
74P97.6Very high96.5Very high30 Ų3055.9 Ų55.920%0.19530%0.302CS..PPolyproline II helixtrans-71.9155.9174.134.1-39000110.1Q72 S76 L77 E373Q72-P74 WeakPolarHBondContact O-CD 3.29Å; P74-S76 WeakPolarHBondContact CG-OG 3.33Å; P74-S76 PolarHBondContact O-N 2.79Å; P74-S76 VanDerWaalsContact O-N 3.17Å; P74-L77 HydrophobicContact CG-CB 4.46Å; P74-L77 HydrophobicContact CG-CD1 4.12Å; P74-L77 HydrophobicContact CG-CG 3.88Å; P74-L77 PolarHBondContact O-N 2.99Å; P74-E373 HydrophobicContact CG-CB 4.43Å; P74-E373 HydrophobicContact CG-CG 3.84Å
75T97.7Very high96.6Very high122 Ų12258.7 Ų58.775%0.74831%0.308SS*.G310 helixtrans-61.2-24.317850.60000113.1L77 E78T75-L77 PolarHBondContact O-N 3.02Å; T75-E78 VanDerWaalsContact O-CB 3.31Å; T75-E78 WeakPolarHBondContact O-CB 3.44Å; T75-E78 PolarHBondContact O-N 3.42Å
76S98.4Very high96.7Very high18 Ų1853.8 Ų53.813%0.12628%0.282CS..G310 helixtrans-62.7-22.717556.30000113.3P74 S382 C383 V384P74-S76 WeakPolarHBondContact CG-OG 3.33Å; P74-S76 PolarHBondContact O-N 2.79Å; P74-S76 VanDerWaalsContact O-N 3.17Å; S76-S382 VanDerWaalsContact CB-O 3.31Å; S76-S382 WeakPolarHBondContact CB-O 3.35Å; S76-C383 CarbonylContact O-C 3.52Å; S76-C383 WeakPolarHBondContact O-CA 3.48Å; S76-C383 WeakPolarHBondContact O-CB 3.38Å; S76-V384 PolarHBondContact O-N 3.42Å
77L98.8Very high96.8Very high0 Ų056.5 Ų56.50%029%0.293CS..G310 helixtrans-88.2-9.7174.8-66.3-172.5000113.3P74 T75 N88 P89 K369 L372 E373 L376 V384P74-L77 HydrophobicContact CG-CB 4.46Å; P74-L77 HydrophobicContact CG-CD1 4.12Å; P74-L77 HydrophobicContact CG-CG 3.88Å; P74-L77 PolarHBondContact O-N 2.99Å; T75-L77 PolarHBondContact O-N 3.02Å; L77-N88 HydrophobicContact CB-CB 4.07Å; L77-N88 HydrophobicContact CD1-CB 4.33Å; L77-N88 WeakPolarHBondContact O-CA 3.12Å; L77-P89 VanDerWaalsContact O-CD 3.32Å; L77-P89 WeakPolarHBondContact O-CD 3.28Å; L77-K369 HydrophobicContact CD1-CB 3.82Å; L77-K369 HydrophobicContact CD1-CG 4.26Å; L77-L372 HydrophobicContact CD2-CB 4.42Å; L77-L372 HydrophobicContact CD2-CD2 3.97Å; L77-L372 HydrophobicContact CD2-CG 4.01Å; L77-E373 HydrophobicContact CD2-CB 4.42Å; L77-L376 HydrophobicContact CD2-CD1 3.95Å; L77-V384 HydrophobicContact CD2-CG2 3.95Å
78E98.7Very high96.9Very high50 Ų5055.8 Ų55.823%0.23429%0.288CS..  trans-68135.8-179.2-172.8175.7134.900111.2T75 K85 F86T75-E78 VanDerWaalsContact O-CB 3.31Å; T75-E78 WeakPolarHBondContact O-CB 3.44Å; T75-E78 PolarHBondContact O-N 3.42Å; E78-K85 HydrophobicContact CG-CG 4.33Å; E78-K85 VanDerWaalsContact OE1-CE 3.25Å; E78-K85 WeakPolarHBondContact OE1-CE 3.2Å; E78-K85 IonicContact OE1-NZ 2.86Å; E78-K85 PolarHBondContact OE1-NZ 3.36Å; E78-K85 WeakPolarHBondContact OE2-CE 3.29Å; E78-K85 IonicContact OE2-NZ 3.19Å; E78-K85 PolarHBondContact OE2-NZ 2.85Å; E78-F86 WeakPolarHBondContact CA-O 3.44Å
79V98.8Very high97.2Very high3 Ų351.6 Ų51.62%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-129.6134177.4-1780000109.4V81 F86 P89 L350 V384V79-V81 HydrophobicContact CG1-CB 4.18Å; V79-V81 HydrophobicContact CG1-CG1 3.94Å; V79-F86 HydrophobicContact CB-CB 4.41Å; V79-F86 PolarHBondContact N-O 3.07Å; V79-F86 PolarHBondContact O-N 2.88Å; V79-P89 HydrophobicContact CG2-CB 4.06Å; V79-L350 HydrophobicContact CB-CD2 3.99Å; V79-L350 HydrophobicContact CG1-CD2 4.08Å; V79-L350 HydrophobicContact CG2-CD2 4.3Å; V79-V384 HydrophobicContact CG2-CB 3.76Å; V79-V384 HydrophobicContact CG2-CG1 3.54Å; V79-V384 HydrophobicContact CG2-CG2 4.46Å
80N98.6Very high97.6Very high105 Ų10549.2 Ų49.256%0.56125%0.254SS*.EExtended strand (participates in β ladder)trans-111.3111.2171.4-68.7-77000108.6L84 K85N80-L84 CarbonylContact C-O 3.56Å; N80-L84 WeakPolarHBondContact CA-O 3.26Å; N80-K85 WeakPolarHBondContact OD1-CB 3.42Å
81V98.5Very high98Very high13 Ų1339.4 Ų39.48%0.07922%0.216CC..EExtended strand (participates in β ladder)trans-152.1150.9-175.465.60000109.9V79 G83 L84 F86 P327 L350V79-V81 HydrophobicContact CG1-CB 4.18Å; V79-V81 HydrophobicContact CG1-CG1 3.94Å; V81-G83 PolarHBondContact O-N 3.21Å; V81-G83 VanDerWaalsContact O-N 3.16Å; V81-L84 PolarHBondContact N-O 3.24Å; V81-L84 WeakPolarHBondContact O-CA 3.41Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 3.22Å; V81-F86 HydrophobicContact CG1-CD2 3.77Å; V81-F86 HydrophobicContact CG1-CE2 3.52Å; V81-F86 HydrophobicContact CG1-CZ 4.46Å; V81-P327 HydrophobicContact CG2-CB 3.37Å; V81-P327 HydrophobicContact CG2-CG 3.7Å; V81-L350 HydrophobicContact CG1-CD1 3.84Å; V81-L350 HydrophobicContact CG1-CD2 4.42Å; V81-L350 HydrophobicContact CG1-CG 4.05Å
82F97.1Very high98.2Very high28 Ų2837.1 Ų37.112%0.12321%0.207CC..THydrogen-bonded Turntrans59.521.6-173.1-40.2-58.8000113.9L84 F86 P249 L251 D276 P327 I329 L350F82-L84 HydrophobicContact CB-CD1 4.35Å; F82-L84 PolarHBondContact O-N 3.45Å; F82-F86 HydrophobicContact CD2-CE2 4.2Å; F82-F86 HydrophobicContact CD2-CZ 4.2Å; F82-P249 HydrophobicContact CB-CB 3.9Å; F82-P249 HydrophobicContact CB-CG 3.7Å; F82-L251 HydrophobicContact CD1-CD1 4.42Å; F82-L251 HydrophobicContact CE1-CD1 4.4Å; F82-L251 HydrophobicContact CE1-CD2 4.32Å; F82-L251 HydrophobicContact CE1-CG 4.42Å; F82-L251 HydrophobicContact CE2-CD2 4.05Å; F82-L251 HydrophobicContact CZ-CD2 3.81Å; F82-L251 HydrophobicContact CZ-CG 4.39Å; F82-D276 WeakPolarHBondContact CD1-O 3.35Å; F82-D276 VanDerWaalsContact CE1-O 3.23Å; F82-D276 WeakPolarHBondContact CE1-O 3.35Å; F82-P327 HydrophobicContact CD1-CB 4.3Å; F82-P327 HydrophobicContact CD1-CG 4.14Å; F82-P327 HydrophobicContact CE1-CB 3.52Å; F82-P327 HydrophobicContact CE1-CG 3.78Å; F82-P327 HydrophobicContact CZ-CB 3.94Å; F82-I329 HydrophobicContact CE2-CD1 4.01Å; F82-I329 HydrophobicContact CE2-CG1 4.07Å; F82-I329 HydrophobicContact CZ-CD1 4.4Å; F82-I329 HydrophobicContact CZ-CG1 4.09Å; F82-L350 HydrophobicContact CE2-CD1 4.1Å
83G96.1Very high98.3Very high68 Ų6830.2 Ų30.270%0.70118%0.176SC*.THydrogen-bonded Turntrans70.21.7-168.500000114.2V81 R246V81-G83 PolarHBondContact O-N 3.21Å; V81-G83 VanDerWaalsContact O-N 3.16Å; G83-R246 PolarHBondContact O-NH2 3.31Å
84L97.8Very high98.3Very high4 Ų429.4 Ų29.42%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-98.9148.8-179.9-60.3168.3000110.4N80 V81 F82 F86 P175 D205 Y206 P249N80-L84 CarbonylContact C-O 3.56Å; N80-L84 WeakPolarHBondContact CA-O 3.26Å; V81-L84 PolarHBondContact N-O 3.24Å; V81-L84 WeakPolarHBondContact O-CA 3.41Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 3.22Å; F82-L84 HydrophobicContact CB-CD1 4.35Å; F82-L84 PolarHBondContact O-N 3.45Å; L84-F86 HydrophobicContact CB-CD2 4.32Å; L84-F86 HydrophobicContact CB-CE2 3.61Å; L84-F86 HydrophobicContact CB-CZ 4.09Å; L84-F86 HydrophobicContact CD1-CE2 4.36Å; L84-F86 HydrophobicContact CD1-CZ 4.06Å; L84-P175 HydrophobicContact CB-CG 4.36Å; L84-P175 HydrophobicContact CD1-CB 4.32Å; L84-D205 HydrophobicContact CD1-CB 4.09Å; L84-D205 HydrophobicContact CD2-CB 4.11Å; L84-Y206 HydrophobicContact CD1-CD1 4.4Å; L84-P249 HydrophobicContact CD1-CG 4.11Å
85K98.3Very high98.4Very high80 Ų8028.5 Ų28.535%0.34817%0.17SC..EExtended strand (participates in β ladder)trans-92135.5168.8178.3173.4169.4131.10109E78 N80 G173 P175E78-K85 HydrophobicContact CG-CG 4.33Å; E78-K85 VanDerWaalsContact OE1-CE 3.25Å; E78-K85 WeakPolarHBondContact OE1-CE 3.2Å; E78-K85 IonicContact OE1-NZ 2.86Å; E78-K85 PolarHBondContact OE1-NZ 3.36Å; E78-K85 WeakPolarHBondContact OE2-CE 3.29Å; E78-K85 IonicContact OE2-NZ 3.19Å; E78-K85 PolarHBondContact OE2-NZ 2.85Å; N80-K85 WeakPolarHBondContact OD1-CB 3.42Å; K85-G173 CarbonylContact O-C 3.55Å; K85-G173 WeakPolarHBondContact O-CA 2.83Å; K85-P175 VanDerWaalsContact O-CG 3.28Å; K85-P175 WeakPolarHBondContact O-CG 3.33Å
86F98.9Very high98.4Very high0 Ų023 Ų230%014%0.135CC..EExtended strand (participates in β ladder)trans-121.8118.4173.3-65.1-97.6000108.1E78 V79 V81 F82 L84 N88 F113 P175 L350E78-F86 WeakPolarHBondContact CA-O 3.44Å; V79-F86 HydrophobicContact CB-CB 4.41Å; V79-F86 PolarHBondContact N-O 3.07Å; V79-F86 PolarHBondContact O-N 2.88Å; V81-F86 HydrophobicContact CG1-CD2 3.77Å; V81-F86 HydrophobicContact CG1-CE2 3.52Å; V81-F86 HydrophobicContact CG1-CZ 4.46Å; F82-F86 HydrophobicContact CD2-CE2 4.2Å; F82-F86 HydrophobicContact CD2-CZ 4.2Å; L84-F86 HydrophobicContact CB-CD2 4.32Å; L84-F86 HydrophobicContact CB-CE2 3.61Å; L84-F86 HydrophobicContact CB-CZ 4.09Å; L84-F86 HydrophobicContact CD1-CE2 4.36Å; L84-F86 HydrophobicContact CD1-CZ 4.06Å; F86-N88 PolarHBondContact O-N 3Å; F86-F113 HydrophobicContact CD1-CB 3.8Å; F86-F113 AromaticContact CD1-CD1 3.76Å; F86-F113 HydrophobicContact CD1-CD1 3.76Å; F86-F113 AromaticContact CD1-CG 3.91Å; F86-F113 HydrophobicContact CD1-CG 3.91Å; F86-F113 HydrophobicContact CE1-CB 3.7Å; F86-F113 HydrophobicContact CE1-CD1 4.02Å; F86-F113 HydrophobicContact CE1-CD2 4.24Å; F86-F113 AromaticContact CE1-CG 3.76Å; F86-F113 HydrophobicContact CE1-CG 3.76Å; F86-P175 HydrophobicContact CD1-CG 3.82Å; F86-P175 HydrophobicContact CE1-CB 4.03Å; F86-P175 HydrophobicContact CE1-CG 3.63Å; F86-P175 HydrophobicContact CE2-CG 4.44Å; F86-P175 HydrophobicContact CG-CG 4.3Å; F86-P175 HydrophobicContact CZ-CB 4.34Å; F86-P175 HydrophobicContact CZ-CG 3.96Å; F86-L350 HydrophobicContact CB-CD2 3.99Å; F86-L350 HydrophobicContact CD1-CD1 3.76Å; F86-L350 HydrophobicContact CD1-CD2 4.09Å; F86-L350 HydrophobicContact CD2-CD1 4Å; F86-L350 HydrophobicContact CD2-CD2 4.18Å; F86-L350 HydrophobicContact CE1-CD1 3.51Å; F86-L350 HydrophobicContact CE2-CD1 3.75Å; F86-L350 HydrophobicContact CG-CD1 4.01Å; F86-L350 HydrophobicContact CG-CD2 3.83Å; F86-L350 HydrophobicContact CZ-CD1 3.51Å
87K98.4Very high98.4Very high78 Ų7822.1 Ų22.134%0.33913%0.13SC..SBendtrans-63.4-29.3-177.4-173.7174.8178.4178.30112.6D73 G173 L174D73-K87 HydrophobicContact CB-CD 4.5Å; D73-K87 HydrophobicContact CB-CG 4.01Å; K87-G173 WeakPolarHBondContact CB-O 3.39Å; K87-G173 PolarHBondContact N-O 3.44Å; K87-L174 HydrophobicContact CB-CD2 4.38Å
88N98.9Very high98.4Very high0 Ų022.9 Ų22.90%013%0.133CC..SBendtrans-150.4161.5169.469.273.4000108.9D73 L77 F86 V90 G110 G112 K369D73-N88 HydrophobicContact CB-CB 4.39Å; D73-N88 PolarHBondContact OD2-ND2 2.97Å; L77-N88 HydrophobicContact CB-CB 4.07Å; L77-N88 HydrophobicContact CD1-CB 4.33Å; L77-N88 WeakPolarHBondContact O-CA 3.12Å; F86-N88 PolarHBondContact O-N 3Å; N88-V90 VanDerWaalsContact C-N 3.3Å; N88-V90 PolarHBondContact O-N 2.8Å; N88-V90 PolarHBondContact OD1-N 2.78Å; N88-V90 VanDerWaalsContact OD1-N 3.15Å; N88-V90 PolarHBondContact OD1-O 3.17Å; N88-G110 PolarHBondContact ND2-O 3.41Å; N88-G112 WeakPolarHBondContact ND2-CA 3.15Å; N88-G112 PolarHBondContact ND2-N 3.35Å; N88-G112 WeakPolarHBondContact OD1-CA 3.4Å; N88-G112 PolarHBondContact OD1-N 2.99Å; N88-G112 VanDerWaalsContact OD1-N 3.09Å; N88-K369 HydrophobicContact CB-CD 3.86Å; N88-K369 VanDerWaalsContact CG-CD 3.43Å
89P98.9Very high98.4Very high0 Ų022.1 Ų22.10%013%0.129CC..SBendtrans-88.45.9-169.738.4-38000113.3L77 V79 L350 V351 L372 V384L77-P89 VanDerWaalsContact O-CD 3.32Å; L77-P89 WeakPolarHBondContact O-CD 3.28Å; V79-P89 HydrophobicContact CG2-CB 4.06Å; P89-L350 HydrophobicContact CB-CD2 4.02Å; P89-V351 PolarHBondContact O-N 3.31Å; P89-V351 VanDerWaalsContact O-O 3.09Å; P89-L372 HydrophobicContact CG-CD2 3.59Å; P89-V384 HydrophobicContact CB-CG1 4.28Å; P89-V384 HydrophobicContact CG-CG1 4.48Å; P89-V384 HydrophobicContact CG-CG2 4Å
90V98.9Very high98.4Very high0 Ų022.1 Ų22.10%013%0.13CC..EExtended strand (participates in β ladder)trans-105112.5-170-175.40000110.2N88 F111 G112 V351 L353 I368 K369N88-V90 VanDerWaalsContact C-N 3.3Å; N88-V90 PolarHBondContact O-N 2.8Å; N88-V90 PolarHBondContact OD1-N 2.78Å; N88-V90 VanDerWaalsContact OD1-N 3.15Å; N88-V90 PolarHBondContact OD1-O 3.17Å; V90-F111 HydrophobicContact CG1-CD1 4.37Å; V90-F111 HydrophobicContact CG1-CE1 4.47Å; V90-F111 CarbonylContact O-C 3.58Å; V90-F111 WeakPolarHBondContact O-CA 3.21Å; V90-G112 PolarHBondContact O-N 2.93Å; V90-V351 HydrophobicContact CG2-CG2 4.14Å; V90-L353 HydrophobicContact CG1-CD2 3.91Å; V90-I368 HydrophobicContact CG1-CG2 4.49Å; V90-I368 HydrophobicContact CG2-CG2 3.95Å; V90-K369 HydrophobicContact CB-CG 4.3Å; V90-K369 HydrophobicContact CG2-CG 3.88Å
91G98.9Very high98.4Very high0 Ų021.7 Ų21.70%013%0.125CC..EExtended strand (participates in β ladder)trans-111.4165.5178.600000114.1F113 V351 Q352 L353G91-F113 VanDerWaalsContact CA-O 3.23Å; G91-F113 WeakPolarHBondContact CA-O 3.37Å; G91-V351 PolarHBondContact N-O 3.31Å; G91-Q352 VanDerWaalsContact O-CA 3.23Å; G91-Q352 WeakPolarHBondContact O-CA 3.25Å; G91-L353 PolarHBondContact O-N 2.97Å
92I98.9Very high98.4Very high1 Ų121.1 Ų21.11%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-92.8128.3168.4178.361000109.1F96 L106 F111 F113 V114 E115 L353 L357I92-F96 HydrophobicContact CD1-CB 3.75Å; I92-F96 HydrophobicContact CD1-CD1 4.38Å; I92-F96 HydrophobicContact CD1-CD2 4.28Å; I92-F96 HydrophobicContact CD1-CG 3.87Å; I92-F96 HydrophobicContact CG1-CB 3.8Å; I92-F96 HydrophobicContact CG1-CD1 4.18Å; I92-F96 HydrophobicContact CG1-CG 4.05Å; I92-L106 HydrophobicContact CB-CD2 4.48Å; I92-L106 HydrophobicContact CG1-CD2 4.16Å; I92-L106 HydrophobicContact CG2-CB 4.37Å; I92-L106 HydrophobicContact CG2-CD1 4.08Å; I92-L106 HydrophobicContact CG2-CD2 4.27Å; I92-L106 HydrophobicContact CG2-CG 4.47Å; I92-F111 HydrophobicContact CB-CD1 4.07Å; I92-F111 HydrophobicContact CB-CD2 3.96Å; I92-F111 HydrophobicContact CB-CE1 3.92Å; I92-F111 HydrophobicContact CB-CE2 3.83Å; I92-F111 HydrophobicContact CB-CG 4.08Å; I92-F111 HydrophobicContact CB-CZ 3.8Å; I92-F111 HydrophobicContact CD1-CE2 4.45Å; I92-F111 HydrophobicContact CD1-CZ 4.08Å; I92-F111 HydrophobicContact CG1-CE2 4.39Å; I92-F111 HydrophobicContact CG1-CZ 4.38Å; I92-F111 HydrophobicContact CG2-CD2 4.12Å; I92-F111 HydrophobicContact CG2-CE2 4.43Å; I92-F111 HydrophobicContact CG2-CG 4.22Å; I92-F113 PolarHBondContact N-O 3.17Å; I92-V114 HydrophobicContact CG2-CB 3.95Å; I92-V114 HydrophobicContact CG2-CG1 3.86Å; I92-V114 HydrophobicContact CG2-CG2 3.75Å; I92-E115 PolarHBondContact O-N 3.48Å; I92-L353 WeakPolarHBondContact CD1-O 3.31Å; I92-L357 HydrophobicContact CD1-CD2 4.08Å
93A98.8Very high98.5Very high4 Ų419.9 Ų19.93%0.03312%0.116CC..PPolyproline II helixtrans-74.6153.4-177.100000113I331 Q352 L353A93-I331 HydrophobicContact CB-CG2 4.21Å; A93-Q352 HydrophobicContact CB-CB 3.81Å; A93-L353 PolarHBondContact N-O 3.19Å; A93-L353 VanDerWaalsContact N-O 3.11Å
94A98.3Very high98.6Very high13 Ų1319.3 Ų19.311%0.10710%0.097CC..THydrogen-bonded Turntrans-52.9149.1169.600000112.5E115 N179A94-E115 HydrophobicContact CB-CG 3.88Å; A94-E115 WeakPolarHBondContact CB-OE1 3.24Å; A94-N179 HydrophobicContact CB-CB 3.76Å
95G97.8Very high98.6Very high12 Ų1219.3 Ų19.312%0.12410%0.098CC..THydrogen-bonded Turntrans96.2-10.7-177.800000112.8K98 G117 Y354G95-K98 WeakPolarHBondContact O-CE 3.38Å; G95-G117 VanDerWaalsContact CA-O 3.27Å; G95-G117 WeakPolarHBondContact CA-O 3.35Å; G95-G117 PolarHBondContact N-O 2.81Å; G95-Y354 WeakPolarHBondContact O-CE2 3.44Å; G95-Y354 PolarHBondContact O-OH 3.5Å
96F98.8Very high98.6Very high5 Ų515.5 Ų15.52%0.0228%0.081CC..SBendtrans-79.4-71169.4-173-89.9000110.2H54 V58 I61 I92 K98 L106 Y354 L357H54-F96 AromaticContact CE1-CD2 3.89Å; H54-F96 PolarHBondContact CE1-O 3.3Å; H54-F96 PolarHBondContact NE2-O 3.4Å; V58-F96 HydrophobicContact CG2-CD1 4.3Å; V58-F96 HydrophobicContact CG2-CE1 3.92Å; V58-F96 HydrophobicContact CG2-CZ 4.16Å; I61-F96 HydrophobicContact CD1-CE1 3.83Å; I61-F96 HydrophobicContact CD1-CZ 3.6Å; I92-F96 HydrophobicContact CD1-CB 3.75Å; I92-F96 HydrophobicContact CD1-CD1 4.38Å; I92-F96 HydrophobicContact CD1-CD2 4.28Å; I92-F96 HydrophobicContact CD1-CG 3.87Å; I92-F96 HydrophobicContact CG1-CB 3.8Å; I92-F96 HydrophobicContact CG1-CD1 4.18Å; I92-F96 HydrophobicContact CG1-CG 4.05Å; F96-K98 PolarHBondContact O-N 3.36Å; F96-L106 HydrophobicContact CD1-CD1 4.18Å; F96-L106 HydrophobicContact CD1-CD2 3.93Å; F96-L106 HydrophobicContact CE1-CD1 4.47Å; F96-L106 HydrophobicContact CE1-CD2 3.75Å; F96-Y354 HydrophobicContact CB-CD2 4.45Å; F96-Y354 HydrophobicContact CB-CE1 4.31Å; F96-Y354 HydrophobicContact CB-CE2 4.15Å; F96-Y354 HydrophobicContact CD2-CD1 4.11Å; F96-Y354 AromaticContact CD2-CE1 3.67Å; F96-Y354 HydrophobicContact CD2-CE1 3.67Å; F96-Y354 HydrophobicContact CG-CE1 4.49Å; F96-L357 HydrophobicContact CD2-CD2 4.15Å; F96-L357 HydrophobicContact CE2-CD2 3.74Å; F96-L357 HydrophobicContact CZ-CD2 4.02Å
97D98.8Very high98.6Very high1 Ų116.1 Ų16.11%0.0058%0.084CC..SBendtrans-92.779.3174.6-174.25.4000110.4H99 G100 E101 A102 V103 L106 V116 G117D97-H99 PolarHBondContact O-N 2.8Å; D97-H99 PolarHBondContact OD1-N 3.47Å; D97-G100 VanDerWaalsContact OD1-CA 3.32Å; D97-G100 WeakPolarHBondContact OD1-CA 3.44Å; D97-G100 PolarHBondContact OD1-N 3.12Å; D97-G100 VanDerWaalsContact OD2-C 3.3Å; D97-G100 WeakPolarHBondContact OD2-CA 3.49Å; D97-E101 VanDerWaalsContact CG-N 3.32Å; D97-E101 PolarHBondContact OD1-N 3.27Å; D97-E101 PolarHBondContact OD2-N 2.78Å; D97-E101 VanDerWaalsContact OD2-N 3.12Å; D97-A102 HydrophobicContact CB-CB 4.47Å; D97-A102 WeakPolarHBondContact OD2-CA 3.38Å; D97-A102 PolarHBondContact OD2-N 2.95Å; D97-V103 WeakPolarHBondContact OD2-CG2 3.24Å; D97-V103 PolarHBondContact OD2-N 3.44Å; D97-L106 HydrophobicContact CB-CD1 3.83Å; D97-V116 HydrophobicContact CB-CG1 4.36Å; D97-V116 CarbonylContact O-C 3.51Å; D97-V116 WeakPolarHBondContact O-CA 3.32Å; D97-V116 VanDerWaalsContact O-CB 3.32Å; D97-V116 WeakPolarHBondContact O-CB 3.49Å; D97-G117 PolarHBondContact O-N 2.87Å
98K98.4Very high98.6Very high15 Ų1517.7 Ų17.77%0.0659%0.091CC..SBendtrans-64-24.1-175.1-70.6166.2175.8-79.60113.4G95 F96 G117 N148G95-K98 WeakPolarHBondContact O-CE 3.38Å; F96-K98 PolarHBondContact O-N 3.36Å; K98-G117 WeakPolarHBondContact O-CA 3.33Å; K98-N148 WeakPolarHBondContact CD-ND2 3.48Å; K98-N148 WeakPolarHBondContact CE-OD1 3.35Å; K98-N148 PolarHBondContact NZ-OD1 2.75Å
99H98.6Very high98.6Very high34 Ų3418 Ų1816%0.1579%0.093CC..SBendtrans-1230.4-165.5-49.2-41.8000112.9D97 E101 N148 R158D97-H99 PolarHBondContact O-N 2.8Å; D97-H99 PolarHBondContact OD1-N 3.47Å; H99-E101 HydrophobicContact CB-CG 3.95Å; H99-E101 IonicContact CD2-OE2 2.76Å; H99-E101 PolarHBondContact CD2-OE2 2.71Å; H99-E101 IonicContact CG-OE2 3.76Å; H99-N148 PolarHBondContact CE1-O 3.46Å; H99-R158 WeakPolarHBondContact O-CD 3.45Å; H99-R158 PolarHBondContact O-NH1 2.84Å
100G98.4Very high98.5Very high4 Ų418.4 Ų18.44%0.04110%0.096CC..SBendtrans76.828.8-178.300000113.6D97 R158D97-G100 VanDerWaalsContact OD1-CA 3.32Å; D97-G100 WeakPolarHBondContact OD1-CA 3.44Å; D97-G100 PolarHBondContact OD1-N 3.12Å; D97-G100 VanDerWaalsContact OD2-C 3.3Å; D97-G100 WeakPolarHBondContact OD2-CA 3.49Å; G100-R158 VanDerWaalsContact C-CD 3.47Å; G100-R158 WeakPolarHBondContact O-CD 3.23Å
101E98.7Very high98.5Very high95 Ų9518.5 Ų18.544%0.44410%0.097SC..SBendtrans-84.2-20.3-175.1-66.6173.4107.100113.7V58 G62 D97 H99V58-E101 HydrophobicContact CG1-CB 3.85Å; G62-E101 WeakPolarHBondContact CA-O 3.15Å; D97-E101 VanDerWaalsContact CG-N 3.32Å; D97-E101 PolarHBondContact OD1-N 3.27Å; D97-E101 PolarHBondContact OD2-N 2.78Å; D97-E101 VanDerWaalsContact OD2-N 3.12Å; H99-E101 HydrophobicContact CB-CG 3.95Å; H99-E101 IonicContact CD2-OE2 2.76Å; H99-E101 PolarHBondContact CD2-OE2 2.71Å; H99-E101 IonicContact CG-OE2 3.76Å
102A98.6Very high98.5Very high1 Ų118.5 Ų18.51%0.00810%0.097CC..SBendtrans-129.56.6-166.300000114.3V58 I61 D97 D104 G105 L106V58-A102 HydrophobicContact CG1-CB 4.02Å; I61-A102 HydrophobicContact CB-CB 4.22Å; I61-A102 HydrophobicContact CG2-CB 3.93Å; D97-A102 HydrophobicContact CB-CB 4.47Å; D97-A102 WeakPolarHBondContact OD2-CA 3.38Å; D97-A102 PolarHBondContact OD2-N 2.95Å; A102-D104 PolarHBondContact O-N 3.42Å; A102-G105 PolarHBondContact O-N 3.46Å; A102-L106 HydrophobicContact CB-CD1 4.13Å; A102-L106 HydrophobicContact CB-CG 4.33Å; A102-L106 WeakPolarHBondContact O-CG 3.39Å; A102-L106 PolarHBondContact O-N 2.97Å
103V98.8Very high98.5Very high3 Ų318.4 Ų18.42%0.01810%0.096CC..Hα-helixtrans-47.9-52-173.6-178.40000113.3D97 G105 L106 Y107 V114 V116 L159 L176D97-V103 WeakPolarHBondContact OD2-CG2 3.24Å; D97-V103 PolarHBondContact OD2-N 3.44Å; V103-G105 PolarHBondContact O-N 3.23Å; V103-L106 PolarHBondContact O-N 3.02Å; V103-Y107 HydrophobicContact CG1-CD2 4.06Å; V103-Y107 HydrophobicContact CG1-CE2 3.42Å; V103-Y107 VanDerWaalsContact CG1-CE2 3.42Å; V103-Y107 VanDerWaalsContact O-CD2 3.24Å; V103-Y107 WeakPolarHBondContact O-CD2 3.43Å; V103-Y107 PolarHBondContact O-N 3.15Å; V103-Y107 VanDerWaalsContact O-N 3.13Å; V103-V114 HydrophobicContact CG1-CB 4.44Å; V103-V114 HydrophobicContact CG1-CG1 4.29Å; V103-V114 HydrophobicContact CG2-CG1 4.38Å; V103-V116 HydrophobicContact CG2-CG1 3.65Å; V103-L159 HydrophobicContact CG2-CD2 4.4Å; V103-L176 HydrophobicContact CG1-CD1 4.08Å; V103-L176 HydrophobicContact CG2-CD1 4.26Å
104D98.4Very high98.5Very high56 Ų5618.2 Ų18.230%0.29910%0.095SC..Hα-helixtrans-67.2-37-178.1-71.2-65000113.2A102 L106 Y107 K108 R162 R169A102-D104 PolarHBondContact O-N 3.42Å; D104-L106 VanDerWaalsContact C-N 3.34Å; D104-Y107 PolarHBondContact O-N 3.21Å; D104-K108 PolarHBondContact O-N 3Å; D104-K108 VanDerWaalsContact O-N 3.07Å; D104-R162 IonicContact OD1-CZ 3.68Å; D104-R162 IonicContact OD1-NH2 3.45Å; D104-R162 PolarHBondContact OD1-NH2 2.94Å; D104-R162 IonicContact OD2-CZ 3.99Å; D104-R162 IonicContact OD2-NE 3.66Å; D104-R162 PolarHBondContact OD2-NE 2.9Å; D104-R162 IonicContact OD2-NH2 2.63Å; D104-R162 PolarHBondContact OD2-NH2 3.41Å; D104-R162 VanDerWaalsContact OD2-NH2 3.14Å; D104-R169 IonicContact OD1-CZ 3.72Å; D104-R169 IonicContact OD1-NE 2.82Å; D104-R169 PolarHBondContact OD1-NE 2.97Å; D104-R169 IonicContact OD1-NH2 3.4Å; D104-R169 PolarHBondContact OD1-NH2 2.97Å
105G98.4Very high98.6Very high4 Ų417.6 Ų17.64%0.0419%0.09CC..Hα-helixtrans-66.7-36.2174.800000112.4I61 A102 V103 K108 L109I61-G105 VanDerWaalsContact CG2-C 3.41Å; I61-G105 WeakPolarHBondContact O-CA 3.31Å; A102-G105 PolarHBondContact O-N 3.46Å; V103-G105 PolarHBondContact O-N 3.23Å; G105-K108 CarbonylContact O-C 3.55Å; G105-K108 WeakPolarHBondContact O-CA 3.37Å; G105-K108 WeakPolarHBondContact O-CB 3.32Å; G105-K108 PolarHBondContact O-N 3.45Å; G105-K108 VanDerWaalsContact O-N 3.15Å; G105-L109 WeakPolarHBondContact O-CG 3.49Å; G105-L109 PolarHBondContact O-N 2.95Å
106L98.8Very high98.6Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-65.3-42.2175.9-70.3163.6000111.5I61 I92 F96 D97 A102 V103 D104 K108 L109 F111 V114I61-L106 HydrophobicContact CD1-CD2 4.49Å; I61-L106 HydrophobicContact CG2-CD2 4.25Å; I61-L106 HydrophobicContact CG2-CG 4.03Å; I92-L106 HydrophobicContact CB-CD2 4.48Å; I92-L106 HydrophobicContact CG1-CD2 4.16Å; I92-L106 HydrophobicContact CG2-CB 4.37Å; I92-L106 HydrophobicContact CG2-CD1 4.08Å; I92-L106 HydrophobicContact CG2-CD2 4.27Å; I92-L106 HydrophobicContact CG2-CG 4.47Å; F96-L106 HydrophobicContact CD1-CD1 4.18Å; F96-L106 HydrophobicContact CD1-CD2 3.93Å; F96-L106 HydrophobicContact CE1-CD1 4.47Å; F96-L106 HydrophobicContact CE1-CD2 3.75Å; D97-L106 HydrophobicContact CB-CD1 3.83Å; A102-L106 HydrophobicContact CB-CD1 4.13Å; A102-L106 HydrophobicContact CB-CG 4.33Å; A102-L106 WeakPolarHBondContact O-CG 3.39Å; A102-L106 PolarHBondContact O-N 2.97Å; V103-L106 PolarHBondContact O-N 3.02Å; D104-L106 VanDerWaalsContact C-N 3.34Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.21Å; L106-L109 HydrophobicContact CD2-CD1 4.38Å; L106-L109 WeakPolarHBondContact O-CB 3.32Å; L106-L109 PolarHBondContact O-N 3.34Å; L106-F111 HydrophobicContact CB-CD2 4.25Å; L106-F111 HydrophobicContact CD2-CD2 4.16Å; L106-F111 HydrophobicContact CD2-CE2 3.97Å; L106-F111 WeakPolarHBondContact O-CD2 3.24Å; L106-V114 HydrophobicContact CB-CG2 3.63Å; L106-V114 HydrophobicContact CD1-CG1 3.85Å; L106-V114 HydrophobicContact CD1-CG2 4.41Å
107Y98.6Very high98.6Very high12 Ų1216.8 Ų16.85%0.0478%0.083CC..Hα-helixtrans-61.6-38.6170.5-65.9-53.3000112.1V103 D104 L109 G110 V114 Q166 L174 P175 L176V103-Y107 HydrophobicContact CG1-CD2 4.06Å; V103-Y107 HydrophobicContact CG1-CE2 3.42Å; V103-Y107 VanDerWaalsContact CG1-CE2 3.42Å; V103-Y107 VanDerWaalsContact O-CD2 3.24Å; V103-Y107 WeakPolarHBondContact O-CD2 3.43Å; V103-Y107 PolarHBondContact O-N 3.15Å; V103-Y107 VanDerWaalsContact O-N 3.13Å; D104-Y107 PolarHBondContact O-N 3.21Å; Y107-L109 PolarHBondContact O-N 3.29Å; Y107-G110 WeakPolarHBondContact O-CA 3.23Å; Y107-G110 PolarHBondContact O-N 3.35Å; Y107-V114 HydrophobicContact CD1-CG2 3.8Å; Y107-V114 HydrophobicContact CE1-CB 4.09Å; Y107-V114 HydrophobicContact CE1-CG2 3.51Å; Y107-V114 HydrophobicContact CE2-CG2 4.31Å; Y107-V114 HydrophobicContact CG-CG2 4.29Å; Y107-Q166 PolarHBondContact OH-NE2 3.42Å; Y107-Q166 PolarHBondContact OH-OE1 3.24Å; Y107-L174 HydrophobicContact CD1-CB 3.96Å; Y107-L174 HydrophobicContact CD1-CD1 4.33Å; Y107-L174 HydrophobicContact CD1-CD2 4.1Å; Y107-L174 HydrophobicContact CD1-CG 4.36Å; Y107-L174 HydrophobicContact CE1-CB 3.82Å; Y107-L174 HydrophobicContact CG-CD1 4.41Å; Y107-L174 PolarHBondContact OH-O 3.01Å; Y107-P175 PolarHBondContact OH-O 3.26Å; Y107-L176 PolarHBondContact OH-N 3.13Å
108K97.7Very high98.6Very high111 Ų11117.1 Ų17.148%0.4839%0.085SC..Hα-helixtrans-64.4-28.2176.5-171.1177.2170.9-169.80112.7G64 V66 D104 G105 L106 G110G64-K108 PolarHBondContact O-NZ 3.1Å; V66-K108 HydrophobicContact CG2-CB 4.14Å; V66-K108 HydrophobicContact CG2-CD 3.51Å; V66-K108 HydrophobicContact CG2-CG 3.67Å; D104-K108 PolarHBondContact O-N 3Å; D104-K108 VanDerWaalsContact O-N 3.07Å; G105-K108 CarbonylContact O-C 3.55Å; G105-K108 WeakPolarHBondContact O-CA 3.37Å; G105-K108 WeakPolarHBondContact O-CB 3.32Å; G105-K108 PolarHBondContact O-N 3.45Å; G105-K108 VanDerWaalsContact O-N 3.15Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.21Å; K108-G110 PolarHBondContact O-N 3.18Å
109L98.2Very high98.6Very high8 Ų816.5 Ų16.54%0.0428%0.082CC..Hα-helixtrans-67.3-19.2169.8-68.2-174.1000113.4I61 V66 N69 G105 L106 Y107 F111 P362I61-L109 HydrophobicContact CD1-CD1 4Å; I61-L109 HydrophobicContact CG1-CD1 4.31Å; V66-L109 HydrophobicContact CB-CD2 3.46Å; V66-L109 VanDerWaalsContact CB-CD2 3.46Å; V66-L109 HydrophobicContact CB-CG 4.35Å; V66-L109 HydrophobicContact CG1-CD2 3.64Å; V66-L109 HydrophobicContact CG1-CG 4.07Å; V66-L109 HydrophobicContact CG2-CD2 4.1Å; N69-L109 PolarHBondContact ND2-O 2.6Å; G105-L109 WeakPolarHBondContact O-CG 3.49Å; G105-L109 PolarHBondContact O-N 2.95Å; L106-L109 HydrophobicContact CD2-CD1 4.38Å; L106-L109 WeakPolarHBondContact O-CB 3.32Å; L106-L109 PolarHBondContact O-N 3.34Å; Y107-L109 PolarHBondContact O-N 3.29Å; L109-F111 HydrophobicContact CB-CD2 4.27Å; L109-F111 HydrophobicContact CB-CE2 4.38Å; L109-F111 HydrophobicContact CD1-CE2 4.36Å; L109-P362 HydrophobicContact CD1-CB 4.14Å; L109-P362 HydrophobicContact CD2-CB 3.56Å; L109-P362 HydrophobicContact CD2-CG 4.33Å; L109-P362 HydrophobicContact CG-CB 4.44Å
110G98.3Very high98.6Very high8 Ų814.9 Ų14.98%0.0828%0.075CC..THydrogen-bonded Turntrans106.810.6175.600000114.8N69 N88 Y107 K108 K369N69-G110 WeakPolarHBondContact ND2-CA 3.38Å; N88-G110 PolarHBondContact ND2-O 3.41Å; Y107-G110 WeakPolarHBondContact O-CA 3.23Å; Y107-G110 PolarHBondContact O-N 3.35Å; K108-G110 PolarHBondContact O-N 3.18Å; G110-K369 PolarHBondContact O-NZ 2.78Å
111F98.9Very high98.6Very high1 Ų115.2 Ų15.20%0.0048%0.076CC..  trans-63.2136.5171.1-71.4-68.4000110.6V90 I92 L106 L109 F113 L353 L357 V365V90-F111 HydrophobicContact CG1-CD1 4.37Å; V90-F111 HydrophobicContact CG1-CE1 4.47Å; V90-F111 CarbonylContact O-C 3.58Å; V90-F111 WeakPolarHBondContact O-CA 3.21Å; I92-F111 HydrophobicContact CB-CD1 4.07Å; I92-F111 HydrophobicContact CB-CD2 3.96Å; I92-F111 HydrophobicContact CB-CE1 3.92Å; I92-F111 HydrophobicContact CB-CE2 3.83Å; I92-F111 HydrophobicContact CB-CG 4.08Å; I92-F111 HydrophobicContact CB-CZ 3.8Å; I92-F111 HydrophobicContact CD1-CE2 4.45Å; I92-F111 HydrophobicContact CD1-CZ 4.08Å; I92-F111 HydrophobicContact CG1-CE2 4.39Å; I92-F111 HydrophobicContact CG1-CZ 4.38Å; I92-F111 HydrophobicContact CG2-CD2 4.12Å; I92-F111 HydrophobicContact CG2-CE2 4.43Å; I92-F111 HydrophobicContact CG2-CG 4.22Å; L106-F111 HydrophobicContact CB-CD2 4.25Å; L106-F111 HydrophobicContact CD2-CD2 4.16Å; L106-F111 HydrophobicContact CD2-CE2 3.97Å; L106-F111 WeakPolarHBondContact O-CD2 3.24Å; L109-F111 HydrophobicContact CB-CD2 4.27Å; L109-F111 HydrophobicContact CB-CE2 4.38Å; L109-F111 HydrophobicContact CD1-CE2 4.36Å; F111-F113 VanDerWaalsContact C-N 3.32Å; F111-L353 HydrophobicContact CE1-CD1 3.96Å; F111-L353 HydrophobicContact CE1-CD2 4.11Å; F111-L353 HydrophobicContact CE1-CG 3.88Å; F111-L353 HydrophobicContact CZ-CD1 3.9Å; F111-L353 HydrophobicContact CZ-CG 4.36Å; F111-L357 HydrophobicContact CZ-CD2 4.42Å; F111-V365 HydrophobicContact CD1-CG1 3.86Å; F111-V365 HydrophobicContact CD1-CG2 4.21Å; F111-V365 HydrophobicContact CD2-CG2 4.32Å; F111-V365 HydrophobicContact CE1-CB 4.45Å; F111-V365 HydrophobicContact CE1-CG1 4.01Å; F111-V365 HydrophobicContact CE1-CG2 3.59Å; F111-V365 HydrophobicContact CE2-CG2 3.71Å; F111-V365 HydrophobicContact CG-CG1 4.19Å; F111-V365 HydrophobicContact CZ-CG1 4.45Å; F111-V365 HydrophobicContact CZ-CG2 3.3Å
112G98.8Very high98.6Very high0 Ų018 Ų180%09%0.086CC..SBendtrans-75.9-20.3175.700000113.5N88 V90 L174 P175N88-G112 WeakPolarHBondContact ND2-CA 3.15Å; N88-G112 PolarHBondContact ND2-N 3.35Å; N88-G112 WeakPolarHBondContact OD1-CA 3.4Å; N88-G112 PolarHBondContact OD1-N 2.99Å; N88-G112 VanDerWaalsContact OD1-N 3.09Å; V90-G112 PolarHBondContact O-N 2.93Å; G112-L174 WeakPolarHBondContact O-CA 3.42Å; G112-P175 WeakPolarHBondContact O-CD 3.45Å
113F98.9Very high98.6Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-155.9155.4173.963.5-74.3000111.1F86 G91 I92 F111 P175 Y206 I329 L350 V351 Q352F86-F113 HydrophobicContact CD1-CB 3.8Å; F86-F113 AromaticContact CD1-CD1 3.76Å; F86-F113 HydrophobicContact CD1-CD1 3.76Å; F86-F113 AromaticContact CD1-CG 3.91Å; F86-F113 HydrophobicContact CD1-CG 3.91Å; F86-F113 HydrophobicContact CE1-CB 3.7Å; F86-F113 HydrophobicContact CE1-CD1 4.02Å; F86-F113 HydrophobicContact CE1-CD2 4.24Å; F86-F113 AromaticContact CE1-CG 3.76Å; F86-F113 HydrophobicContact CE1-CG 3.76Å; G91-F113 VanDerWaalsContact CA-O 3.23Å; G91-F113 WeakPolarHBondContact CA-O 3.37Å; I92-F113 PolarHBondContact N-O 3.17Å; F111-F113 VanDerWaalsContact C-N 3.32Å; F113-P175 WeakPolarHBondContact CA-O 3.35Å; F113-P175 VanDerWaalsContact CB-O 3.32Å; F113-P175 WeakPolarHBondContact CB-O 3.25Å; F113-Y206 HydrophobicContact CD2-CE1 4.13Å; F113-Y206 WeakPolarHBondContact CD2-OH 3.34Å; F113-I329 HydrophobicContact CE2-CD1 4.15Å; F113-I329 HydrophobicContact CE2-CG2 4.37Å; F113-I329 HydrophobicContact CZ-CG2 4.08Å; F113-L350 HydrophobicContact CE1-CB 3.98Å; F113-L350 HydrophobicContact CE1-CD1 4.16Å; F113-L350 HydrophobicContact CE1-CD2 4.41Å; F113-L350 HydrophobicContact CE1-CG 4.43Å; F113-L350 HydrophobicContact CZ-CB 3.92Å; F113-L350 HydrophobicContact CZ-CD1 4.18Å; F113-V351 WeakPolarHBondContact CZ-O 3.11Å; F113-Q352 HydrophobicContact CE2-CG 3.63Å; F113-Q352 VanDerWaalsContact CE2-NE2 3.32Å; F113-Q352 HydrophobicContact CZ-CG 3.56Å
114V98.9Very high98.5Very high0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-122.6132.7-179.3172.80000109.7I92 V103 L106 Y107 V116 P175 L176 G177I92-V114 HydrophobicContact CG2-CB 3.95Å; I92-V114 HydrophobicContact CG2-CG1 3.86Å; I92-V114 HydrophobicContact CG2-CG2 3.75Å; V103-V114 HydrophobicContact CG1-CB 4.44Å; V103-V114 HydrophobicContact CG1-CG1 4.29Å; V103-V114 HydrophobicContact CG2-CG1 4.38Å; L106-V114 HydrophobicContact CB-CG2 3.63Å; L106-V114 HydrophobicContact CD1-CG1 3.85Å; L106-V114 HydrophobicContact CD1-CG2 4.41Å; Y107-V114 HydrophobicContact CD1-CG2 3.8Å; Y107-V114 HydrophobicContact CE1-CB 4.09Å; Y107-V114 HydrophobicContact CE1-CG2 3.51Å; Y107-V114 HydrophobicContact CE2-CG2 4.31Å; Y107-V114 HydrophobicContact CG-CG2 4.29Å; V114-V116 HydrophobicContact CG1-CG1 4.27Å; V114-P175 PolarHBondContact N-O 3.17Å; V114-P175 VanDerWaalsContact N-O 3.15Å; V114-L176 HydrophobicContact CB-CD1 4.38Å; V114-L176 HydrophobicContact CG1-CD1 4.27Å; V114-L176 WeakPolarHBondContact O-CA 3.43Å; V114-G177 PolarHBondContact O-N 2.82Å
115E98.9Very high98.5Very high0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-111.7116.3170.2-169.6174.9123.800111I92 A94 G177 N179 Y206 K253 M279 Q352I92-E115 PolarHBondContact O-N 3.48Å; A94-E115 HydrophobicContact CB-CG 3.88Å; A94-E115 WeakPolarHBondContact CB-OE1 3.24Å; E115-G177 WeakPolarHBondContact CA-O 3.24Å; E115-N179 HydrophobicContact CG-CB 4.03Å; E115-N179 PolarHBondContact OE1-ND2 2.98Å; E115-Y206 PolarHBondContact OE2-OH 3.32Å; E115-K253 IonicContact OE1-NZ 3.23Å; E115-M279 WeakPolarHBondContact OE2-CE 3.48Å; E115-M279 VanDerWaalsContact OE2-SD 3.38Å; E115-Q352 PolarHBondContact OE2-NE2 3.47Å
116V98.9Very high98.4Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-89.8162.7174.5-60.50000111.6D97 V103 V114 I119 L159 L176 G177 I178 N179D97-V116 HydrophobicContact CB-CG1 4.36Å; D97-V116 CarbonylContact O-C 3.51Å; D97-V116 WeakPolarHBondContact O-CA 3.32Å; D97-V116 VanDerWaalsContact O-CB 3.32Å; D97-V116 WeakPolarHBondContact O-CB 3.49Å; V103-V116 HydrophobicContact CG2-CG1 3.65Å; V114-V116 HydrophobicContact CG1-CG1 4.27Å; V116-I119 HydrophobicContact CG2-CD1 4.22Å; V116-L159 HydrophobicContact CG2-CD1 4.28Å; V116-L176 HydrophobicContact CG1-CD1 3.97Å; V116-L176 HydrophobicContact CG2-CD1 4.39Å; V116-G177 PolarHBondContact N-O 2.92Å; V116-I178 HydrophobicContact CG2-CB 4.35Å; V116-I178 HydrophobicContact CG2-CG1 3.96Å; V116-I178 HydrophobicContact CG2-CG2 4.33Å; V116-N179 WeakPolarHBondContact O-CB 3.34Å; V116-N179 PolarHBondContact O-N 3.3Å
117G98.3Very high98.3Very high0 Ų031.4 Ų31.40%016%0.163CC..EExtended strand (participates in β ladder)trans95.1-162.717900000113.4G95 D97 K98G95-G117 VanDerWaalsContact CA-O 3.27Å; G95-G117 WeakPolarHBondContact CA-O 3.35Å; G95-G117 PolarHBondContact N-O 2.81Å; D97-G117 PolarHBondContact O-N 2.87Å; K98-G117 WeakPolarHBondContact O-CA 3.33Å
118T98.7Very high98.3Very high8 Ų836 Ų365%0.04919%0.194CC..EExtended strand (participates in β ladder)cis-67.8131.36.8-51.30000113.7F147 N179 L180 G181 N210T118-F147 VanDerWaalsContact CB-CE1 3.42Å; T118-F147 HydrophobicContact CG2-CD1 4.02Å; T118-F147 HydrophobicContact CG2-CD2 4.31Å; T118-F147 HydrophobicContact CG2-CE1 3.63Å; T118-F147 HydrophobicContact CG2-CE2 3.95Å; T118-F147 HydrophobicContact CG2-CG 4.35Å; T118-F147 HydrophobicContact CG2-CZ 3.6Å; T118-F147 WeakPolarHBondContact OG1-CE1 3.4Å; T118-N179 CarbonylContact C-O 3.44Å; T118-N179 VanDerWaalsContact CA-O 3.3Å; T118-N179 WeakPolarHBondContact CA-O 3.32Å; T118-N179 VanDerWaalsContact CB-OD1 3.31Å; T118-N179 WeakPolarHBondContact CB-OD1 3.36Å; T118-N179 VanDerWaalsContact CG2-OD1 3.27Å; T118-N179 WeakPolarHBondContact CG2-OD1 3.45Å; T118-N179 PolarHBondContact OG1-OD1 3.34Å; T118-L180 WeakPolarHBondContact CG2-O 3.32Å; T118-G181 VanDerWaalsContact CG2-CA 3.45Å; T118-G181 VanDerWaalsContact CG2-N 3.27Å; T118-N210 HydrophobicContact CG2-CB 4.26Å; T118-N210 PolarHBondContact OG1-ND2 3.19Å
119I98.8Very high98.3Very high1 Ų137.5 Ų37.51%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-102.7135.7-179.7-52.9156.2000108.7V116 L152 V155 I178 N179 G181 L200V116-I119 HydrophobicContact CG2-CD1 4.22Å; I119-L152 HydrophobicContact CG2-CD2 3.77Å; I119-L152 HydrophobicContact CG2-CG 4.39Å; I119-V155 HydrophobicContact CD1-CB 4.16Å; I119-V155 HydrophobicContact CD1-CG1 3.54Å; I119-V155 HydrophobicContact CD1-CG2 4.25Å; I119-V155 HydrophobicContact CG1-CG1 4.36Å; I119-V155 HydrophobicContact CG1-CG2 4.2Å; I119-V155 HydrophobicContact CG2-CB 4.4Å; I119-V155 HydrophobicContact CG2-CG2 4.08Å; I119-I178 HydrophobicContact CD1-CG2 3.72Å; I119-N179 PolarHBondContact N-O 3.04Å; I119-G181 PolarHBondContact O-N 2.96Å; I119-L200 HydrophobicContact CB-CD1 4.45Å; I119-L200 HydrophobicContact CD1-CD1 3.53Å; I119-L200 HydrophobicContact CG2-CD1 4.26Å
120T98.6Very high98.2Very high0 Ų041.4 Ų41.40%023%0.226CC..  trans-106156.5175.953.80000110.8K122 F147 S149 G151 L152 K182 N183T120-K122 PolarHBondContact O-N 3.22Å; T120-K122 PolarHBondContact OG1-O 3.4Å; T120-F147 HydrophobicContact CG2-CB 3.93Å; T120-F147 HydrophobicContact CG2-CD2 4.12Å; T120-F147 HydrophobicContact CG2-CG 4.39Å; T120-S149 PolarHBondContact N-OG 3.15Å; T120-S149 WeakPolarHBondContact OG1-CB 3.19Å; T120-S149 PolarHBondContact OG1-OG 2.96Å; T120-G151 CarbonylContact O-C 3.53Å; T120-G151 VanDerWaalsContact O-CA 3.29Å; T120-G151 WeakPolarHBondContact O-CA 3.29Å; T120-L152 PolarHBondContact O-N 3.5Å; T120-K182 WeakPolarHBondContact CG2-O 3.48Å; T120-N183 WeakPolarHBondContact CB-ND2 3.23Å; T120-N183 PolarHBondContact OG1-ND2 3.15Å
121P98.4Very high98.2Very high11 Ų1142 Ų427%0.07123%0.226CC..SBendtrans-48.8-61.6175.4-3136.5000114L152 G181 N183 D192P121-L152 HydrophobicContact CB-CD1 4.16Å; P121-L152 HydrophobicContact CG-CD1 4.38Å; P121-L152 PolarHBondContact O-N 3.08Å; P121-G181 WeakPolarHBondContact CD-O 3.47Å; P121-N183 WeakPolarHBondContact CB-OD1 3.34Å; P121-N183 WeakPolarHBondContact CD-OD1 3.39Å; P121-D192 HydrophobicContact CG-CB 3.58Å
122K98.3Very high98.2Very high153 Ų15342.6 Ų42.667%0.66523%0.23SC*.SBendtrans-94.1154.7176.9-59.3-179.9-177177.60110.5T120 N183T120-K122 PolarHBondContact O-N 3.22Å; T120-K122 PolarHBondContact OG1-O 3.4Å; K122-N183 PolarHBondContact N-OD1 2.93Å; K122-N183 PolarHBondContact O-ND2 2.85Å
123S97.9Very high98.2Very high86 Ų8643.2 Ų43.260%0.60123%0.232SC*.  trans-62.7145.9170.6600000110.8S149S123-S149 CarbonylContact C-O 3.58Å; S123-S149 VanDerWaalsContact CA-O 3.26Å; S123-S149 WeakPolarHBondContact CA-O 3.26Å
124Q97.7Very high98.2Very high36 Ų3644.8 Ų44.817%0.16824%0.239CC..BIsolated β-bridgetrans-153.8143.6171.264.4178.356.600110.3G126 G146 F147 N148 S149 N183Q124-G126 VanDerWaalsContact C-N 3.28Å; Q124-G126 PolarHBondContact O-N 3.06Å; Q124-G146 PolarHBondContact NE2-O 2.96Å; Q124-F147 WeakPolarHBondContact CG-O 3.49Å; Q124-F147 PolarHBondContact NE2-O 2.73Å; Q124-N148 WeakPolarHBondContact O-CA 3.41Å; Q124-S149 PolarHBondContact N-O 3.27Å; Q124-S149 PolarHBondContact O-N 3.13Å; Q124-N183 VanDerWaalsContact OE1-CA 3.28Å; Q124-N183 PolarHBondContact OE1-ND2 3.43Å
125E97.5Very high98.1Very high175 Ų17544.8 Ų44.882%0.81824%0.239SC*.  trans-72.1-22.6-175.9-62-169.7161.500113.6R131 N148E125-R131 PolarHBondContact O-NH1 3.41Å; E125-N148 WeakPolarHBondContact O-CB 3.19Å
126G96.9Very high98Very high23 Ų2347.7 Ų47.724%0.23726%0.257CS..  trans89.2-164.1-169.200000113Q124 Y145 G146Q124-G126 VanDerWaalsContact C-N 3.28Å; Q124-G126 PolarHBondContact O-N 3.06Å; G126-Y145 CarbonylContact C-O 3.48Å; G126-Y145 WeakPolarHBondContact CA-O 3.4Å; G126-G146 WeakPolarHBondContact CA-O 3.21Å
127N97.5Very high97.9Very high26 Ų2653.3 Ų53.314%0.13928%0.283CS..SBendtrans-77.3159.3177.1-65.2-38.1000111.6R131 R144 Y145 K184 N215N127-R131 WeakPolarHBondContact O-CD 3.36Å; N127-R131 PolarHBondContact O-NH1 2.94Å; N127-R144 VanDerWaalsContact CB-O 3.29Å; N127-R144 WeakPolarHBondContact CB-O 3.37Å; N127-R144 PolarHBondContact ND2-O 2.96Å; N127-Y145 PolarHBondContact N-O 2.84Å; N127-K184 PolarHBondContact OD1-NZ 3.33Å; N127-N215 PolarHBondContact ND2-O 3.31Å
128P97.6Very high97.9Very high109 Ų10954.1 Ų54.171%0.70829%0.288SS*.PPolyproline II helixtrans-58.1150.6178.2-25.235000113.8
129K97.8Very high97.9Very high143 Ų14358.2 Ų58.262%0.62231%0.307SS*.SBendtrans-81.9152.3174.2-59.6-173.5-173.6-1710111E51 R131E51-K129 VanDerWaalsContact CD-CE 3.46Å; E51-K129 WeakPolarHBondContact OE1-CE 3.16Å; E51-K129 IonicContact OE1-NZ 2.99Å; E51-K129 PolarHBondContact OE1-NZ 3.48Å; E51-K129 WeakPolarHBondContact OE2-CD 3.33Å; E51-K129 WeakPolarHBondContact OE2-CE 3.08Å; E51-K129 WeakPolarHBondContact OE2-CG 3.2Å; E51-K129 IonicContact OE2-NZ 3.43Å; K129-R131 HydrophobicContact CG-CG 4.44Å
130P97.6Very high97.9Very high89 Ų8958.2 Ų58.258%0.57831%0.306SS*.PPolyproline II helixcis-72.8142.8-631-34.7000112F133 R144P130-F133 HydrophobicContact CB-CE1 3.96Å; P130-F133 HydrophobicContact CB-CZ 3.77Å; P130-F133 HydrophobicContact CG-CE1 4.08Å; P130-F133 HydrophobicContact CG-CZ 3.94Å; P130-F133 WeakPolarHBondContact O-CZ 3.39Å; P130-R144 PolarHBondContact O-NE 2.91Å; P130-R144 PolarHBondContact O-NH2 2.87Å
131R98.3Very high97.9Very high20 Ų2059 Ų598%0.07531%0.312CS..  trans-138.811.1-172.561.6-162.9-179.7166.13.4114.2E51 E125 N127 K129 N143 R144 Y145E51-R131 IonicContact OE1-CZ 2.76Å; E51-R131 VanDerWaalsContact OE1-CZ 3.29Å; E51-R131 IonicContact OE1-NE 2.7Å; E51-R131 PolarHBondContact OE1-NE 2.94Å; E51-R131 IonicContact OE1-NH2 4Å; E51-R131 PolarHBondContact OE1-NH2 3.34Å; E51-R131 WeakPolarHBondContact OE2-CG 3.42Å; E51-R131 IonicContact OE2-NE 3.25Å; E51-R131 PolarHBondContact OE2-NE 3.41Å; E125-R131 PolarHBondContact O-NH1 3.41Å; N127-R131 WeakPolarHBondContact O-CD 3.36Å; N127-R131 PolarHBondContact O-NH1 2.94Å; K129-R131 HydrophobicContact CG-CG 4.44Å; R131-N143 CarbonylContact O-C 3.56Å; R131-N143 WeakPolarHBondContact O-CA 3.23Å; R131-R144 HydrophobicContact CB-CG 3.9Å; R131-R144 PolarHBondContact O-N 3.17Å; R131-Y145 HydrophobicContact CG-CD1 4.02Å; R131-Y145 HydrophobicContact CG-CE1 4.26Å
132V98.6Very high97.9Very high15 Ų1558.5 Ų58.59%0.09131%0.308CS..EExtended strand (participates in β ladder)trans-148.3130.3-179.8-146.20000107P50 E51 V141 I142 N143 Y145P50-V132 HydrophobicContact CB-CB 4.1Å; P50-V132 HydrophobicContact CB-CG1 4.28Å; P50-V132 HydrophobicContact CG-CB 4.16Å; P50-V132 WeakPolarHBondContact CG-O 3.47Å; E51-V132 HydrophobicContact CB-CG2 3.94Å; E51-V132 HydrophobicContact CG-CG2 4.35Å; V132-V141 HydrophobicContact CG1-CG1 3.94Å; V132-I142 CarbonylContact C-O 3.2Å; V132-I142 WeakPolarHBondContact CA-O 3.28Å; V132-N143 HydrophobicContact CG1-CB 3.91Å; V132-Y145 HydrophobicContact CB-CE2 4.47Å; V132-Y145 HydrophobicContact CG1-CE2 3.99Å; V132-Y145 HydrophobicContact CG2-CD1 4.43Å; V132-Y145 HydrophobicContact CG2-CD2 4.34Å; V132-Y145 HydrophobicContact CG2-CE1 3.72Å; V132-Y145 HydrophobicContact CG2-CE2 3.61Å; V132-Y145 WeakPolarHBondContact CG2-OH 3.31Å
133F98.5Very high97.9Very high12 Ų1252.6 Ų52.65%0.05328%0.284CS..EExtended strand (participates in β ladder)trans-135.8125-170.8-56.6-87.5000107.4P130 L135 V141 I142 R144 Q295 E298P130-F133 HydrophobicContact CB-CE1 3.96Å; P130-F133 HydrophobicContact CB-CZ 3.77Å; P130-F133 HydrophobicContact CG-CE1 4.08Å; P130-F133 HydrophobicContact CG-CZ 3.94Å; P130-F133 WeakPolarHBondContact O-CZ 3.39Å; F133-L135 HydrophobicContact CB-CD1 4.4Å; F133-V141 CarbonylContact O-C 3.58Å; F133-V141 VanDerWaalsContact O-CA 3.3Å; F133-V141 WeakPolarHBondContact O-CA 3.43Å; F133-I142 HydrophobicContact CB-CB 4.42Å; F133-I142 PolarHBondContact N-O 2.99Å; F133-I142 PolarHBondContact O-N 2.73Å; F133-R144 VanDerWaalsContact CE2-NH2 3.31Å; F133-R144 VanDerWaalsContact CZ-CZ 3.48Å; F133-Q295 HydrophobicContact CB-CB 4.42Å; F133-E298 HydrophobicContact CB-CG 4.45Å; F133-E298 HydrophobicContact CD1-CG 3.8Å; F133-E298 HydrophobicContact CD2-CB 4.04Å; F133-E298 HydrophobicContact CD2-CG 4.06Å; F133-E298 HydrophobicContact CE1-CG 4.08Å; F133-E298 HydrophobicContact CE2-CB 4.46Å; F133-E298 HydrophobicContact CE2-CG 4.38Å; F133-E298 HydrophobicContact CG-CB 4.18Å; F133-E298 HydrophobicContact CG-CG 3.8Å; F133-E298 HydrophobicContact CZ-CG 4.39Å
134R98.1Very high98Very high34 Ų3450.9 Ų50.913%0.12826%0.264CS..EExtended strand (participates in β ladder)trans-85.5139.7172.3-58-168.6-168.5108.7-7107.9Q45 V48 P50 P136 Q295Q45-R134 PolarHBondContact O-NH1 3.13Å; V48-R134 PolarHBondContact O-NH1 2.85Å; V48-R134 PolarHBondContact O-NH2 3.01Å; P50-R134 HydrophobicContact CB-CG 3.91Å; P50-R134 HydrophobicContact CG-CG 4.4Å; R134-P136 HydrophobicContact CB-CG 4.34Å; R134-P136 WeakPolarHBondContact O-CD 3.28Å; R134-Q295 PolarHBondContact O-NE2 3.29Å
135L98.2Very high98Very high0 Ų049.8 Ų49.80%026%0.258CS..EExtended strand (participates in β ladder)trans-117.380.1170.8-71.870.3000107.9F133 E137 D138 Q139 A140 I142 L291 D293 Q295 R296 L302 Y359F133-L135 HydrophobicContact CB-CD1 4.4Å; L135-E137 PolarHBondContact O-N 3.22Å; L135-D138 HydrophobicContact CB-CB 4.2Å; L135-D138 CarbonylContact O-C 3.58Å; L135-D138 PolarHBondContact O-N 2.83Å; L135-D138 VanDerWaalsContact O-N 3.17Å; L135-Q139 PolarHBondContact O-N 3.2Å; L135-Q139 VanDerWaalsContact O-N 3.1Å; L135-A140 HydrophobicContact CB-CB 4.02Å; L135-A140 PolarHBondContact N-O 2.99Å; L135-A140 PolarHBondContact O-N 3.01Å; L135-I142 HydrophobicContact CD1-CB 4.2Å; L135-I142 HydrophobicContact CD1-CD1 3.99Å; L135-I142 HydrophobicContact CD1-CG1 3.87Å; L135-I142 HydrophobicContact CD2-CD1 4Å; L135-I142 HydrophobicContact CD2-CG1 4.36Å; L135-L291 HydrophobicContact CD2-CD2 4.42Å; L135-D293 WeakPolarHBondContact CA-OD2 3.33Å; L135-D293 HydrophobicContact CB-CB 3.63Å; L135-D293 HydrophobicContact CD2-CB 4.17Å; L135-D293 HydrophobicContact CG-CB 3.67Å; L135-Q295 HydrophobicContact CD1-CB 4.45Å; L135-R296 HydrophobicContact CD2-CB 4.31Å; L135-L302 HydrophobicContact CD2-CD1 4.28Å; L135-Y359 VanDerWaalsContact C-OH 3.27Å; L135-Y359 PolarHBondContact N-OH 3.45Å; L135-Y359 PolarHBondContact O-OH 2.99Å
136P96.5Very high98Very high61 Ų6141.5 Ų41.540%0.39622%0.22SC..G310 helixtrans-63.6-37.1-169.3-23.837000113.8R134 D138 Q139 D293 Y359R134-P136 HydrophobicContact CB-CG 4.34Å; R134-P136 WeakPolarHBondContact O-CD 3.28Å; P136-D138 PolarHBondContact O-N 3.28Å; P136-Q139 PolarHBondContact O-N 3.02Å; P136-Q139 VanDerWaalsContact O-N 3.16Å; P136-D293 WeakPolarHBondContact CD-OD2 3.3Å; P136-Y359 HydrophobicContact CB-CE1 4.3Å
137E96.8Very high98Very high117 Ų11740.9 Ų40.955%0.54721%0.211SC..G310 helixtrans-61-26.7177.5-67.676.3-170.600112.2L135 K292L135-E137 PolarHBondContact O-N 3.22Å; E137-K292 HydrophobicContact CB-CB 3.92Å
138D98.2Very high98Very high18 Ų1840.6 Ų40.610%0.09621%0.209CC..G310 helixtrans-105-0.6-177.2-58.3-57.8000112.5L135 P136 A140 L291 K292 D293 P306L135-D138 HydrophobicContact CB-CB 4.2Å; L135-D138 CarbonylContact O-C 3.58Å; L135-D138 PolarHBondContact O-N 2.83Å; L135-D138 VanDerWaalsContact O-N 3.17Å; P136-D138 PolarHBondContact O-N 3.28Å; D138-A140 HydrophobicContact CB-CB 3.88Å; D138-A140 PolarHBondContact O-N 2.81Å; D138-L291 HydrophobicContact CB-CD2 3.9Å; D138-L291 WeakPolarHBondContact OD1-CA 3.49Å; D138-K292 VanDerWaalsContact CG-N 3.35Å; D138-K292 PolarHBondContact OD1-N 3.48Å; D138-K292 PolarHBondContact OD2-N 2.79Å; D138-D293 PolarHBondContact OD2-N 2.88Å; D138-P306 HydrophobicContact CB-CG 4.16Å; D138-P306 WeakPolarHBondContact O-CD 3.39Å
139Q97.9Very high98Very high94 Ų9435.7 Ų35.744%0.43918%0.178SC..THydrogen-bonded Turntrans46.844.1-169.5-58.3-175.624.400112.3L135 P136 Q305 Y359L135-Q139 PolarHBondContact O-N 3.2Å; L135-Q139 VanDerWaalsContact O-N 3.1Å; P136-Q139 PolarHBondContact O-N 3.02Å; P136-Q139 VanDerWaalsContact O-N 3.16Å; Q139-Q305 HydrophobicContact CB-CB 4.27Å; Q139-Q305 HydrophobicContact CB-CG 3.81Å; Q139-Q305 PolarHBondContact O-N 3.49Å; Q139-Y359 VanDerWaalsContact C-CE2 3.42Å
140A98.7Very high98.1Very high0 Ų030.1 Ų30.10%016%0.157CC..EExtended strand (participates in β ladder)trans-128.4165.1-169.300000112.5L135 D138 L302 S303 P306 Y359L135-A140 HydrophobicContact CB-CB 4.02Å; L135-A140 PolarHBondContact N-O 2.99Å; L135-A140 PolarHBondContact O-N 3.01Å; D138-A140 HydrophobicContact CB-CB 3.88Å; D138-A140 PolarHBondContact O-N 2.81Å; A140-L302 HydrophobicContact CB-CD1 3.9Å; A140-S303 WeakPolarHBondContact CA-O 3.44Å; A140-S303 WeakPolarHBondContact CB-O 3.37Å; A140-P306 HydrophobicContact CB-CG 3.89Å; A140-Y359 PolarHBondContact O-OH 2.97Å
141V98.8Very high98.1Very high18 Ų1826 Ų2611%0.10913%0.13CC..EExtended strand (participates in β ladder)trans-137.1135.9173.7170.40000108.7V132 F133 L302 S303 T355 Y359V132-V141 HydrophobicContact CG1-CG1 3.94Å; F133-V141 CarbonylContact O-C 3.58Å; F133-V141 VanDerWaalsContact O-CA 3.3Å; F133-V141 WeakPolarHBondContact O-CA 3.43Å; V141-L302 CarbonylContact O-C 3.57Å; V141-L302 WeakPolarHBondContact O-CA 3.22Å; V141-S303 PolarHBondContact N-O 3.3Å; V141-S303 VanDerWaalsContact N-O 3.08Å; V141-S303 PolarHBondContact O-N 3.49Å; V141-S303 PolarHBondContact O-OG 2.91Å; V141-T355 HydrophobicContact CB-CG2 4.4Å; V141-T355 HydrophobicContact CG2-CG2 3.95Å; V141-Y359 HydrophobicContact CG2-CE2 4.25Å
142I98.9Very high98.1Very high0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-104.2132.9164.5-67.7171.7000108V132 F133 L135 E298 G301 L302V132-I142 CarbonylContact C-O 3.2Å; V132-I142 WeakPolarHBondContact CA-O 3.28Å; F133-I142 HydrophobicContact CB-CB 4.42Å; F133-I142 PolarHBondContact N-O 2.99Å; F133-I142 PolarHBondContact O-N 2.73Å; L135-I142 HydrophobicContact CD1-CB 4.2Å; L135-I142 HydrophobicContact CD1-CD1 3.99Å; L135-I142 HydrophobicContact CD1-CG1 3.87Å; L135-I142 HydrophobicContact CD2-CD1 4Å; L135-I142 HydrophobicContact CD2-CG1 4.36Å; I142-E298 HydrophobicContact CD1-CB 4.35Å; I142-E298 HydrophobicContact CG2-CB 4.03Å; I142-G301 WeakPolarHBondContact CA-O 3.49Å; I142-L302 HydrophobicContact CD1-CD1 4.33Å; I142-L302 HydrophobicContact CG1-CB 4.25Å; I142-L302 HydrophobicContact CG1-CD1 3.73Å
143N98.8Very high98.1Very high28 Ų2828.3 Ų28.315%0.1515%0.154CC..EExtended strand (participates in β ladder)trans-137.6146.9174.58293.7000113R131 V132 Y145 N215 G300 G301R131-N143 CarbonylContact O-C 3.56Å; R131-N143 WeakPolarHBondContact O-CA 3.23Å; V132-N143 HydrophobicContact CG1-CB 3.91Å; N143-Y145 HydrophobicContact CB-CD2 3.98Å; N143-Y145 HydrophobicContact CB-CE2 4.33Å; N143-N215 PolarHBondContact O-ND2 3.41Å; N143-N215 PolarHBondContact O-OD1 3.32Å; N143-N215 PolarHBondContact OD1-ND2 2.83Å; N143-G300 CarbonylContact O-C 3.47Å; N143-G300 WeakPolarHBondContact O-CA 3.41Å; N143-G301 PolarHBondContact N-O 3.38Å; N143-G301 PolarHBondContact ND2-O 3.39Å; N143-G301 PolarHBondContact O-N 3.35Å
144R98.4Very high98.1Very high51 Ų5132 Ų3219%0.19217%0.172CC..  trans-13140.9174.855.7176.8172.8-95.411112.6N127 P130 R131 F133 G146 N215 E298 A299N127-R144 VanDerWaalsContact CB-O 3.29Å; N127-R144 WeakPolarHBondContact CB-O 3.37Å; N127-R144 PolarHBondContact ND2-O 2.96Å; P130-R144 PolarHBondContact O-NE 2.91Å; P130-R144 PolarHBondContact O-NH2 2.87Å; R131-R144 HydrophobicContact CB-CG 3.9Å; R131-R144 PolarHBondContact O-N 3.17Å; F133-R144 VanDerWaalsContact CE2-NH2 3.31Å; F133-R144 VanDerWaalsContact CZ-CZ 3.48Å; R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 2.82Å; R144-N215 VanDerWaalsContact CA-CG 3.47Å; R144-N215 WeakPolarHBondContact CA-OD1 3.46Å; R144-E298 IonicContact CZ-OE2 3.16Å; R144-E298 IonicContact NH1-OE2 3.51Å; R144-E298 PolarHBondContact NH1-OE2 3.35Å; R144-E298 IonicContact NH2-OE2 2.73Å; R144-E298 PolarHBondContact NH2-OE2 3.17Å; R144-A299 WeakPolarHBondContact CD-O 3.34Å; R144-A299 PolarHBondContact NH1-O 3.33Å
145Y98.3Very high98.1Very high12 Ų1230.4 Ų30.45%0.04717%0.166CC..  trans-53.8-41.1-176.1-86.2-68.5000114.4E51 G126 N127 R131 V132 N143 N148E51-Y145 HydrophobicContact CG-CE1 4.13Å; G126-Y145 CarbonylContact C-O 3.48Å; G126-Y145 WeakPolarHBondContact CA-O 3.4Å; N127-Y145 PolarHBondContact N-O 2.84Å; R131-Y145 HydrophobicContact CG-CD1 4.02Å; R131-Y145 HydrophobicContact CG-CE1 4.26Å; V132-Y145 HydrophobicContact CB-CE2 4.47Å; V132-Y145 HydrophobicContact CG1-CE2 3.99Å; V132-Y145 HydrophobicContact CG2-CD1 4.43Å; V132-Y145 HydrophobicContact CG2-CD2 4.34Å; V132-Y145 HydrophobicContact CG2-CE1 3.72Å; V132-Y145 HydrophobicContact CG2-CE2 3.61Å; V132-Y145 WeakPolarHBondContact CG2-OH 3.31Å; N143-Y145 HydrophobicContact CB-CD2 3.98Å; N143-Y145 HydrophobicContact CB-CE2 4.33Å; Y145-N148 WeakPolarHBondContact CB-OD1 3.24Å; Y145-N148 VanDerWaalsContact CD1-OD1 3.25Å; Y145-N148 WeakPolarHBondContact CD1-OD1 3.27Å
146G97Very high98.2Very high1 Ų133.3 Ų33.31%0.0118%0.179CC..  trans6846.6-179.200000113.8Q124 G126 R144 N148Q124-G146 PolarHBondContact NE2-O 2.96Å; G126-G146 WeakPolarHBondContact CA-O 3.21Å; R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 2.82Å; G146-N148 PolarHBondContact O-N 2.96Å
147F97.1Very high98.3Very high11 Ų1135 Ų355%0.04819%0.189CC..  trans49.455.4-179.3-64.8-22.6000114.4T118 T120 Q124 S149 L219T118-F147 VanDerWaalsContact CB-CE1 3.42Å; T118-F147 HydrophobicContact CG2-CD1 4.02Å; T118-F147 HydrophobicContact CG2-CD2 4.31Å; T118-F147 HydrophobicContact CG2-CE1 3.63Å; T118-F147 HydrophobicContact CG2-CE2 3.95Å; T118-F147 HydrophobicContact CG2-CG 4.35Å; T118-F147 HydrophobicContact CG2-CZ 3.6Å; T118-F147 WeakPolarHBondContact OG1-CE1 3.4Å; T120-F147 HydrophobicContact CG2-CB 3.93Å; T120-F147 HydrophobicContact CG2-CD2 4.12Å; T120-F147 HydrophobicContact CG2-CG 4.39Å; Q124-F147 WeakPolarHBondContact CG-O 3.49Å; Q124-F147 PolarHBondContact NE2-O 2.73Å; F147-S149 PolarHBondContact O-N 2.9Å; F147-S149 VanDerWaalsContact O-N 3.16Å; F147-L219 HydrophobicContact CE2-CD2 3.84Å; F147-L219 HydrophobicContact CZ-CD2 3.83Å
148N98.1Very high98.3Very high19 Ų1932.8 Ų32.810%0.10218%0.175CC..  trans-58.9118.216364.6-61.4000109.4K98 H99 Q124 E125 Y145 G146K98-N148 WeakPolarHBondContact CD-ND2 3.48Å; K98-N148 WeakPolarHBondContact CE-OD1 3.35Å; K98-N148 PolarHBondContact NZ-OD1 2.75Å; H99-N148 PolarHBondContact CE1-O 3.46Å; Q124-N148 WeakPolarHBondContact O-CA 3.41Å; E125-N148 WeakPolarHBondContact O-CB 3.19Å; Y145-N148 WeakPolarHBondContact CB-OD1 3.24Å; Y145-N148 VanDerWaalsContact CD1-OD1 3.25Å; Y145-N148 WeakPolarHBondContact CD1-OD1 3.27Å; G146-N148 PolarHBondContact O-N 2.96Å
149S98.4Very high98.3Very high7 Ų732.1 Ų32.15%0.04917%0.172CC..BIsolated β-bridgetrans-150.4136.5-166.1167.90000109.5T120 S123 Q124 F147 G151T120-S149 PolarHBondContact N-OG 3.15Å; T120-S149 WeakPolarHBondContact OG1-CB 3.19Å; T120-S149 PolarHBondContact OG1-OG 2.96Å; S123-S149 CarbonylContact C-O 3.58Å; S123-S149 VanDerWaalsContact CA-O 3.26Å; S123-S149 WeakPolarHBondContact CA-O 3.26Å; Q124-S149 PolarHBondContact N-O 3.27Å; Q124-S149 PolarHBondContact O-N 3.13Å; F147-S149 PolarHBondContact O-N 2.9Å; F147-S149 VanDerWaalsContact O-N 3.16Å; S149-G151 PolarHBondContact O-N 3.04Å; S149-G151 PolarHBondContact OG-N 3.29Å; S149-G151 VanDerWaalsContact OG-N 3.12Å
150C98.3Very high98.3Very high26 Ų2634 Ų3418%0.17618%0.178CC..  trans-81.81.4172.6620000113.9E154C150-E154 HydrophobicContact CB-CB 4.25Å; C150-E154 HydrophobicContact CB-CG 4.44Å; C150-E154 WeakPolarHBondContact CB-OE2 3.44Å; C150-E154 VanDerWaalsContact SG-CD 3.54Å; C150-E154 PolarHBondContact SG-OE1 2.77Å
151G98.6Very high98.3Very high3 Ų338.4 Ų38.43%0.03122%0.215CC..  trans90.2165.517600000113.8T120 S149 A153 V155T120-G151 CarbonylContact O-C 3.53Å; T120-G151 VanDerWaalsContact O-CA 3.29Å; T120-G151 WeakPolarHBondContact O-CA 3.29Å; S149-G151 PolarHBondContact O-N 3.04Å; S149-G151 PolarHBondContact OG-N 3.29Å; S149-G151 VanDerWaalsContact OG-N 3.12Å; G151-A153 PolarHBondContact O-N 3.5Å; G151-V155 WeakPolarHBondContact O-CG2 3.36Å; G151-V155 PolarHBondContact O-N 3.47Å
152L98.6Very high98.2Very high5 Ų538.8 Ų38.83%0.02621%0.214CC..Hα-helixtrans-62.7-41.3-177.5-70.1172.7000112.4I119 T120 P121 E154 V155 H156 L180 E195 A199 L200I119-L152 HydrophobicContact CG2-CD2 3.77Å; I119-L152 HydrophobicContact CG2-CG 4.39Å; T120-L152 PolarHBondContact O-N 3.5Å; P121-L152 HydrophobicContact CB-CD1 4.16Å; P121-L152 HydrophobicContact CG-CD1 4.38Å; P121-L152 PolarHBondContact O-N 3.08Å; L152-E154 PolarHBondContact O-N 3.38Å; L152-V155 PolarHBondContact O-N 3.06Å; L152-H156 WeakPolarHBondContact O-CB 3.3Å; L152-H156 PolarHBondContact O-N 3.24Å; L152-L180 HydrophobicContact CD2-CD2 4.46Å; L152-E195 HydrophobicContact CD1-CB 4.1Å; L152-E195 HydrophobicContact CD1-CG 3.71Å; L152-A199 HydrophobicContact CB-CB 4.26Å; L152-A199 HydrophobicContact CD1-CB 4.06Å; L152-A199 HydrophobicContact CD2-CB 4.45Å; L152-A199 HydrophobicContact CG-CB 4.5Å; L152-L200 HydrophobicContact CD2-CD1 3.39Å; L152-L200 HydrophobicContact CD2-CG 3.81Å
153A98.4Very high98Very high78 Ų7840.1 Ų40.165%0.64523%0.227SC*.Hα-helixtrans-60.6-44.1-174.300000112.8G151 T157G151-A153 PolarHBondContact O-N 3.5Å; A153-T157 PolarHBondContact O-N 3.44Å; A153-T157 VanDerWaalsContact O-N 3.13Å; A153-T157 PolarHBondContact O-OG1 3.42Å
154E98.6Very high97.9Very high90 Ų9045.7 Ų45.742%0.42125%0.253SS..Hα-helixtrans-71.5-44.4-179.7-165.9-173.7123.700111.2C150 L152 T157 R158C150-E154 HydrophobicContact CB-CB 4.25Å; C150-E154 HydrophobicContact CB-CG 4.44Å; C150-E154 WeakPolarHBondContact CB-OE2 3.44Å; C150-E154 VanDerWaalsContact SG-CD 3.54Å; C150-E154 PolarHBondContact SG-OE1 2.77Å; L152-E154 PolarHBondContact O-N 3.38Å; E154-T157 PolarHBondContact O-N 2.84Å; E154-R158 PolarHBondContact O-N 3.4Å; E154-R158 IonicContact OE1-CZ 2.84Å; E154-R158 IonicContact OE1-NH1 3.68Å; E154-R158 PolarHBondContact OE1-NH1 2.87Å; E154-R158 IonicContact OE1-NH2 2.7Å; E154-R158 PolarHBondContact OE1-NH2 3.14Å
155V98.8Very high97.9Very high0 Ų046.4 Ų46.40%026%0.263CS..Hα-helixtrans-66.4-40.6178.4-178.20000111.4I119 G151 L152 T157 R158 L159 L200I119-V155 HydrophobicContact CD1-CB 4.16Å; I119-V155 HydrophobicContact CD1-CG1 3.54Å; I119-V155 HydrophobicContact CD1-CG2 4.25Å; I119-V155 HydrophobicContact CG1-CG1 4.36Å; I119-V155 HydrophobicContact CG1-CG2 4.2Å; I119-V155 HydrophobicContact CG2-CB 4.4Å; I119-V155 HydrophobicContact CG2-CG2 4.08Å; G151-V155 WeakPolarHBondContact O-CG2 3.36Å; G151-V155 PolarHBondContact O-N 3.47Å; L152-V155 PolarHBondContact O-N 3.06Å; V155-T157 VanDerWaalsContact C-N 3.34Å; V155-T157 PolarHBondContact O-N 2.84Å; V155-R158 PolarHBondContact O-N 2.94Å; V155-L159 HydrophobicContact CG1-CD1 3.69Å; V155-L159 HydrophobicContact CG1-CG 3.89Å; V155-L159 WeakPolarHBondContact O-CB 3.35Å; V155-L159 WeakPolarHBondContact O-CG 3.4Å; V155-L159 PolarHBondContact O-N 2.83Å; V155-L200 HydrophobicContact CG1-CD1 4.47Å
156H98.7Very high97.8Very high60 Ų6046.3 Ų46.328%0.27826%0.263SS..Hα-helixtrans-56.9-48.2174.6171.2-94.9000110.8L152 R158 L159 K160 A199 L200L152-H156 WeakPolarHBondContact O-CB 3.3Å; L152-H156 PolarHBondContact O-N 3.24Å; H156-R158 VanDerWaalsContact C-N 3.32Å; H156-R158 PolarHBondContact O-N 2.78Å; H156-L159 PolarHBondContact O-N 3.41Å; H156-K160 WeakPolarHBondContact O-CB 3.37Å; H156-K160 PolarHBondContact O-N 3.17Å; H156-A199 PolarHBondContact CD2-O 3.48Å; H156-L200 HydrophobicContact CB-CD2 3.71Å
157T98.6Very high97.8Very high97 Ų9752.4 Ų52.460%0.59529%0.291SS*.Hα-helixtrans-58.1-46177.4-58.50000111.2A153 E154 V155 A161A153-T157 PolarHBondContact O-N 3.44Å; A153-T157 VanDerWaalsContact O-N 3.13Å; A153-T157 PolarHBondContact O-OG1 3.42Å; E154-T157 PolarHBondContact O-N 2.84Å; V155-T157 VanDerWaalsContact C-N 3.34Å; V155-T157 PolarHBondContact O-N 2.84Å; T157-A161 WeakPolarHBondContact O-CB 3.23Å; T157-A161 PolarHBondContact O-N 3.28Å; T157-A161 VanDerWaalsContact O-N 3.1Å
158R98.3Very high97.8Very high71 Ų7158.6 Ų58.627%0.26832%0.318SS..Hα-helixtrans-65.3-46-179.3-170.8174.5-65.5109.11.5112.9H99 G100 E154 V155 H156H99-R158 WeakPolarHBondContact O-CD 3.45Å; H99-R158 PolarHBondContact O-NH1 2.84Å; G100-R158 VanDerWaalsContact C-CD 3.47Å; G100-R158 WeakPolarHBondContact O-CD 3.23Å; E154-R158 PolarHBondContact O-N 3.4Å; E154-R158 IonicContact OE1-CZ 2.84Å; E154-R158 IonicContact OE1-NH1 3.68Å; E154-R158 PolarHBondContact OE1-NH1 2.87Å; E154-R158 IonicContact OE1-NH2 2.7Å; E154-R158 PolarHBondContact OE1-NH2 3.14Å; V155-R158 PolarHBondContact O-N 2.94Å; H156-R158 VanDerWaalsContact C-N 3.32Å; H156-R158 PolarHBondContact O-N 2.78Å
159L98.3Very high97.8Very high4 Ų461.1 Ų61.12%0.02133%0.326CS..Hα-helixtrans-72.3-38.9-179.2-65.9-176.3000111.9V103 V116 V155 H156 A161 R162 G163 L176 I178 L203V103-L159 HydrophobicContact CG2-CD2 4.4Å; V116-L159 HydrophobicContact CG2-CD1 4.28Å; V155-L159 HydrophobicContact CG1-CD1 3.69Å; V155-L159 HydrophobicContact CG1-CG 3.89Å; V155-L159 WeakPolarHBondContact O-CB 3.35Å; V155-L159 WeakPolarHBondContact O-CG 3.4Å; V155-L159 PolarHBondContact O-N 2.83Å; H156-L159 PolarHBondContact O-N 3.41Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.08Å; L159-R162 CarbonylContact O-C 3.58Å; L159-R162 VanDerWaalsContact O-CG 3.24Å; L159-R162 WeakPolarHBondContact O-CG 3.47Å; L159-R162 PolarHBondContact O-N 2.79Å; L159-R162 VanDerWaalsContact O-N 3.13Å; L159-G163 PolarHBondContact O-N 3.06Å; L159-L176 HydrophobicContact CD1-CD2 4.49Å; L159-L176 HydrophobicContact CD2-CD2 4.15Å; L159-I178 HydrophobicContact CD1-CD1 3.52Å; L159-I178 HydrophobicContact CD1-CG1 4.26Å; L159-L203 HydrophobicContact CB-CD1 3.89Å
160K97.9Very high97.7Very high133 Ų13361.6 Ų61.658%0.57833%0.33SS*.Hα-helixtrans-61.2-40175.7-174.4172.8-178.1174.80111.8H156 R162 G163 L203H156-K160 WeakPolarHBondContact O-CB 3.37Å; H156-K160 PolarHBondContact O-N 3.17Å; K160-R162 PolarHBondContact O-N 3.04Å; K160-G163 PolarHBondContact O-N 3.13Å; K160-L203 HydrophobicContact CB-CD1 4.14Å; K160-L203 HydrophobicContact CB-CD2 4.31Å
161A98.1Very high97.6Very high92 Ų9266 Ų6676%0.7635%0.351SS*.THydrogen-bonded Turntrans-59.5-19.2177.600000113.9T157 L159T157-A161 WeakPolarHBondContact O-CB 3.23Å; T157-A161 PolarHBondContact O-N 3.28Å; T157-A161 VanDerWaalsContact O-N 3.1Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.08Å
162R96.3Very high97.5Very high27 Ų2770 Ų7010%0.10238%0.375CS..THydrogen-bonded Turntrans-116.116.5176.964-179.7-61.7-71.5-4113.8D104 L159 K160 E164 T165 Q166D104-R162 IonicContact OD1-CZ 3.68Å; D104-R162 IonicContact OD1-NH2 3.45Å; D104-R162 PolarHBondContact OD1-NH2 2.94Å; D104-R162 IonicContact OD2-CZ 3.99Å; D104-R162 IonicContact OD2-NE 3.66Å; D104-R162 PolarHBondContact OD2-NE 2.9Å; D104-R162 IonicContact OD2-NH2 2.63Å; D104-R162 PolarHBondContact OD2-NH2 3.41Å; D104-R162 VanDerWaalsContact OD2-NH2 3.14Å; L159-R162 CarbonylContact O-C 3.58Å; L159-R162 VanDerWaalsContact O-CG 3.24Å; L159-R162 WeakPolarHBondContact O-CG 3.47Å; L159-R162 PolarHBondContact O-N 2.79Å; L159-R162 VanDerWaalsContact O-N 3.13Å; K160-R162 PolarHBondContact O-N 3.04Å; R162-E164 PolarHBondContact O-N 3.26Å; R162-T165 PolarHBondContact O-N 3.42Å; R162-Q166 PolarHBondContact O-N 3.25Å
163G95.3Very high97.5Very high27 Ų2769.8 Ų69.828%0.27837%0.374SS..Hα-helixtrans-56.5-47.6-173.400000113.9L159 K160 T165 Q166 Q167L159-G163 PolarHBondContact O-N 3.06Å; K160-G163 PolarHBondContact O-N 3.13Å; G163-T165 PolarHBondContact O-N 3.1Å; G163-Q166 PolarHBondContact O-N 3.45Å; G163-Q167 PolarHBondContact O-N 3.08Å
164E96Very high97.5Very high146 Ų14667.2 Ų67.268%0.68235%0.349SS*.Hα-helixtrans-62.7-42.4178.1-64.8-176.4-178.800112.6R162 Q166 Q167 K168R162-E164 PolarHBondContact O-N 3.26Å; E164-Q166 VanDerWaalsContact C-N 3.33Å; E164-Q167 PolarHBondContact O-N 3.47Å; E164-K168 WeakPolarHBondContact O-CG 3.34Å; E164-K168 PolarHBondContact O-N 3.4Å; E164-K168 VanDerWaalsContact O-N 3.1Å
165T97.6Very high97.5Very high65 Ų6563 Ų6340%0.39933%0.329SS..Hα-helixtrans-62.6-43.5175.9-620000110.3R162 G163 K168 R169R162-T165 PolarHBondContact O-N 3.42Å; G163-T165 PolarHBondContact O-N 3.1Å; T165-K168 PolarHBondContact O-N 3.43Å; T165-R169 WeakPolarHBondContact O-CG 3.2Å; T165-R169 PolarHBondContact O-N 2.89Å; T165-R169 VanDerWaalsContact O-N 3.08Å
166Q98Very high97.5Very high10 Ų1063 Ų635%0.04733%0.33CS..Hα-helixtrans-62.6-46.1176.3-173.55353.300111.2Y107 R162 G163 E164 K168 R169 S170 L174 L176Y107-Q166 PolarHBondContact OH-NE2 3.42Å; Y107-Q166 PolarHBondContact OH-OE1 3.24Å; R162-Q166 PolarHBondContact O-N 3.25Å; G163-Q166 PolarHBondContact O-N 3.45Å; E164-Q166 VanDerWaalsContact C-N 3.33Å; Q166-K168 VanDerWaalsContact C-N 3.31Å; Q166-K168 PolarHBondContact O-N 2.9Å; Q166-R169 CarbonylContact O-C 3.56Å; Q166-R169 WeakPolarHBondContact O-CA 3.35Å; Q166-R169 WeakPolarHBondContact O-CB 3.49Å; Q166-R169 PolarHBondContact O-N 3.49Å; Q166-S170 PolarHBondContact NE2-OG 3.4Å; Q166-S170 PolarHBondContact O-N 3.45Å; Q166-S170 PolarHBondContact O-OG 2.88Å; Q166-L174 PolarHBondContact NE2-O 3.24Å; Q166-L176 HydrophobicContact CG-CB 4.01Å; Q166-L176 HydrophobicContact CG-CD2 4.05Å
167Q96.1Very high97.5Very high129 Ų12960.2 Ų60.260%0.60332%0.317SS*.Hα-helixtrans-58-42.8179.7-169.1174.730.800112.3G163 E164 R169 S170 N171G163-Q167 PolarHBondContact O-N 3.08Å; E164-Q167 PolarHBondContact O-N 3.47Å; Q167-R169 VanDerWaalsContact C-N 3.33Å; Q167-R169 PolarHBondContact O-N 3.32Å; Q167-S170 PolarHBondContact O-N 3.49Å; Q167-N171 WeakPolarHBondContact O-CB 3.35Å; Q167-N171 VanDerWaalsContact O-CG 3.26Å; Q167-N171 PolarHBondContact O-N 3.42Å; Q167-N171 PolarHBondContact O-ND2 2.99Å
168K97.3Very high97.5Very high141 Ų14155.6 Ų55.661%0.61329%0.288SS*.Hα-helixtrans-61.4-40.3173.5-70.6171.9-177.1168.90112.1E164 T165 Q166 T172E164-K168 WeakPolarHBondContact O-CG 3.34Å; E164-K168 PolarHBondContact O-N 3.4Å; E164-K168 VanDerWaalsContact O-N 3.1Å; T165-K168 PolarHBondContact O-N 3.43Å; Q166-K168 VanDerWaalsContact C-N 3.31Å; Q166-K168 PolarHBondContact O-N 2.9Å; K168-T172 WeakPolarHBondContact O-CG2 3.42Å; K168-T172 PolarHBondContact O-N 2.72Å; K168-T172 PolarHBondContact O-OG1 2.99Å; K168-T172 VanDerWaalsContact O-OG1 3.07Å
169R97.6Very high97.6Very high72 Ų7252.2 Ų52.227%0.27228%0.276SS..Hα-helixtrans-67-45.9176.7-75.2-174.1-175.1-69.20.7111.9D104 T165 Q166 Q167 N171 T172 G173 L174D104-R169 IonicContact OD1-CZ 3.72Å; D104-R169 IonicContact OD1-NE 2.82Å; D104-R169 PolarHBondContact OD1-NE 2.97Å; D104-R169 IonicContact OD1-NH2 3.4Å; D104-R169 PolarHBondContact OD1-NH2 2.97Å; T165-R169 WeakPolarHBondContact O-CG 3.2Å; T165-R169 PolarHBondContact O-N 2.89Å; T165-R169 VanDerWaalsContact O-N 3.08Å; Q166-R169 CarbonylContact O-C 3.56Å; Q166-R169 WeakPolarHBondContact O-CA 3.35Å; Q166-R169 WeakPolarHBondContact O-CB 3.49Å; Q166-R169 PolarHBondContact O-N 3.49Å; Q167-R169 VanDerWaalsContact C-N 3.33Å; Q167-R169 PolarHBondContact O-N 3.32Å; R169-N171 VanDerWaalsContact C-N 3.31Å; R169-N171 PolarHBondContact O-N 3.34Å; R169-T172 WeakPolarHBondContact CA-OG1 3.4Å; R169-T172 CarbonylContact O-C 3.49Å; R169-T172 WeakPolarHBondContact O-CA 3.39Å; R169-T172 PolarHBondContact O-N 2.93Å; R169-T172 PolarHBondContact O-OG1 2.88Å; R169-G173 PolarHBondContact O-N 3.32Å; R169-L174 HydrophobicContact CB-CB 4.03Å; R169-L174 WeakPolarHBondContact O-CB 2.99Å; R169-L174 PolarHBondContact O-N 2.91Å
170S96.9Very high97.6Very high18 Ų1852.1 Ų52.113%0.12628%0.275CS..Hα-helixtrans-59.5-43.1177.8-53.10000111.5Q166 Q167 T172 G173 D205Q166-S170 PolarHBondContact NE2-OG 3.4Å; Q166-S170 PolarHBondContact O-N 3.45Å; Q166-S170 PolarHBondContact O-OG 2.88Å; Q167-S170 PolarHBondContact O-N 3.49Å; S170-T172 PolarHBondContact O-N 3.36Å; S170-G173 PolarHBondContact O-N 2.95Å; S170-D205 WeakPolarHBondContact CB-OD1 3.37Å; S170-D205 PolarHBondContact OG-OD1 3.46Å; S170-D205 PolarHBondContact OG-OD2 3.39Å
171N95.9Very high97.6Very high119 Ų11945.9 Ų45.964%0.63625%0.248SC*.Hα-helixtrans-63.4-22.8175.2-70.8-14.6000113.7Q167 R169Q167-N171 WeakPolarHBondContact O-CB 3.35Å; Q167-N171 VanDerWaalsContact O-CG 3.26Å; Q167-N171 PolarHBondContact O-N 3.42Å; Q167-N171 PolarHBondContact O-ND2 2.99Å; R169-N171 VanDerWaalsContact C-N 3.31Å; R169-N171 PolarHBondContact O-N 3.34Å
172T96.3Very high97.6Very high86 Ų8642.4 Ų42.453%0.52822%0.216SC..THydrogen-bonded Turntrans-98.111.5176.153.40000113K168 R169 S170K168-T172 WeakPolarHBondContact O-CG2 3.42Å; K168-T172 PolarHBondContact O-N 2.72Å; K168-T172 PolarHBondContact O-OG1 2.99Å; K168-T172 VanDerWaalsContact O-OG1 3.07Å; R169-T172 WeakPolarHBondContact CA-OG1 3.4Å; R169-T172 CarbonylContact O-C 3.49Å; R169-T172 WeakPolarHBondContact O-CA 3.39Å; R169-T172 PolarHBondContact O-N 2.93Å; R169-T172 PolarHBondContact O-OG1 2.88Å; S170-T172 PolarHBondContact O-N 3.36Å
173G98Very high97.6Very high0 Ų042 Ų420%022%0.216CC..THydrogen-bonded Turntrans85.830.2174.600000114.6K85 K87 R169 S170 P175K85-G173 CarbonylContact O-C 3.55Å; K85-G173 WeakPolarHBondContact O-CA 2.83Å; K87-G173 WeakPolarHBondContact CB-O 3.39Å; K87-G173 PolarHBondContact N-O 3.44Å; R169-G173 PolarHBondContact O-N 3.32Å; S170-G173 PolarHBondContact O-N 2.95Å; G173-P175 VanDerWaalsContact C-CD 3.46Å; G173-P175 WeakPolarHBondContact O-CD 3.43Å
174L98.7Very high97.5Very high24 Ų2445 Ų4513%0.12622%0.222CC..  trans-120.573.7175-63.5176000111.9K87 Y107 G112 Q166 R169K87-L174 HydrophobicContact CB-CD2 4.38Å; Y107-L174 HydrophobicContact CD1-CB 3.96Å; Y107-L174 HydrophobicContact CD1-CD1 4.33Å; Y107-L174 HydrophobicContact CD1-CD2 4.1Å; Y107-L174 HydrophobicContact CD1-CG 4.36Å; Y107-L174 HydrophobicContact CE1-CB 3.82Å; Y107-L174 HydrophobicContact CG-CD1 4.41Å; Y107-L174 PolarHBondContact OH-O 3.01Å; G112-L174 WeakPolarHBondContact O-CA 3.42Å; Q166-L174 PolarHBondContact NE2-O 3.24Å; R169-L174 HydrophobicContact CB-CB 4.03Å; R169-L174 WeakPolarHBondContact O-CB 2.99Å; R169-L174 PolarHBondContact O-N 2.91Å
175P98.7Very high97.2Very high1 Ų145.3 Ų45.31%0.00623%0.227CC..  trans-73.3149.3-174-19.235.4000114.2L84 K85 F86 Y107 G112 F113 V114 G173 D205L84-P175 HydrophobicContact CB-CG 4.36Å; L84-P175 HydrophobicContact CD1-CB 4.32Å; K85-P175 VanDerWaalsContact O-CG 3.28Å; K85-P175 WeakPolarHBondContact O-CG 3.33Å; F86-P175 HydrophobicContact CD1-CG 3.82Å; F86-P175 HydrophobicContact CE1-CB 4.03Å; F86-P175 HydrophobicContact CE1-CG 3.63Å; F86-P175 HydrophobicContact CE2-CG 4.44Å; F86-P175 HydrophobicContact CG-CG 4.3Å; F86-P175 HydrophobicContact CZ-CB 4.34Å; F86-P175 HydrophobicContact CZ-CG 3.96Å; Y107-P175 PolarHBondContact OH-O 3.26Å; G112-P175 WeakPolarHBondContact O-CD 3.45Å; F113-P175 WeakPolarHBondContact CA-O 3.35Å; F113-P175 VanDerWaalsContact CB-O 3.32Å; F113-P175 WeakPolarHBondContact CB-O 3.25Å; V114-P175 PolarHBondContact N-O 3.17Å; V114-P175 VanDerWaalsContact N-O 3.15Å; G173-P175 VanDerWaalsContact C-CD 3.46Å; G173-P175 WeakPolarHBondContact O-CD 3.43Å; P175-D205 VanDerWaalsContact CA-OD2 3.3Å; P175-D205 WeakPolarHBondContact CA-OD2 3.48Å; P175-D205 HydrophobicContact CB-CB 3.74Å
176L98.9Very high97Very high2 Ų243.4 Ų43.41%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-104.8117.3172.6176.964.3000111.2V103 Y107 V114 V116 L159 Q166 I178 D205 Y206V103-L176 HydrophobicContact CG1-CD1 4.08Å; V103-L176 HydrophobicContact CG2-CD1 4.26Å; Y107-L176 PolarHBondContact OH-N 3.13Å; V114-L176 HydrophobicContact CB-CD1 4.38Å; V114-L176 HydrophobicContact CG1-CD1 4.27Å; V114-L176 WeakPolarHBondContact O-CA 3.43Å; V116-L176 HydrophobicContact CG1-CD1 3.97Å; V116-L176 HydrophobicContact CG2-CD1 4.39Å; L159-L176 HydrophobicContact CD1-CD2 4.49Å; L159-L176 HydrophobicContact CD2-CD2 4.15Å; Q166-L176 HydrophobicContact CG-CB 4.01Å; Q166-L176 HydrophobicContact CG-CD2 4.05Å; L176-I178 HydrophobicContact CG-CG1 4.46Å; L176-D205 PolarHBondContact N-OD2 2.81Å; L176-D205 WeakPolarHBondContact O-CB 3.38Å; L176-D205 PolarHBondContact O-N 2.82Å; L176-Y206 PolarHBondContact O-N 2.83Å
177G98.9Very high96.7Very high0 Ų051.8 Ų51.80%026%0.255CS..EExtended strand (participates in β ladder)trans-89142.5167.600000112.6V114 E115 V116 Y206V114-G177 PolarHBondContact O-N 2.82Å; E115-G177 WeakPolarHBondContact CA-O 3.24Å; V116-G177 PolarHBondContact N-O 2.92Å; G177-Y206 WeakPolarHBondContact CA-O 3.38Å
178I98.9Very high96.6Very high0 Ų049.7 Ų49.70%025%0.248CC..EExtended strand (participates in β ladder)trans-119.9116.2173.8-57.5-172.1000109.8V116 I119 L159 L176 L180 L200 L203 A204 Y206 L207 V208V116-I178 HydrophobicContact CG2-CB 4.35Å; V116-I178 HydrophobicContact CG2-CG1 3.96Å; V116-I178 HydrophobicContact CG2-CG2 4.33Å; I119-I178 HydrophobicContact CD1-CG2 3.72Å; L159-I178 HydrophobicContact CD1-CD1 3.52Å; L159-I178 HydrophobicContact CD1-CG1 4.26Å; L176-I178 HydrophobicContact CG-CG1 4.46Å; I178-L180 HydrophobicContact CG2-CD2 3.96Å; I178-L200 HydrophobicContact CD1-CB 3.94Å; I178-L200 HydrophobicContact CG2-CB 4.04Å; I178-L200 HydrophobicContact CG2-CD1 3.69Å; I178-L203 HydrophobicContact CD1-CB 4.31Å; I178-A204 HydrophobicContact CB-CB 4.12Å; I178-A204 HydrophobicContact CD1-CB 3.76Å; I178-A204 HydrophobicContact CG1-CB 3.77Å; I178-Y206 PolarHBondContact N-O 3.01Å; I178-L207 HydrophobicContact CB-CD2 4.08Å; I178-V208 PolarHBondContact O-N 3.31Å
179N98.9Very high96.5Very high0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-91.2120.1179.7-166.6-65000111.1A94 E115 V116 T118 I119 V208 N210A94-N179 HydrophobicContact CB-CB 3.76Å; E115-N179 HydrophobicContact CG-CB 4.03Å; E115-N179 PolarHBondContact OE1-ND2 2.98Å; V116-N179 WeakPolarHBondContact O-CB 3.34Å; V116-N179 PolarHBondContact O-N 3.3Å; T118-N179 CarbonylContact C-O 3.44Å; T118-N179 VanDerWaalsContact CA-O 3.3Å; T118-N179 WeakPolarHBondContact CA-O 3.32Å; T118-N179 VanDerWaalsContact CB-OD1 3.31Å; T118-N179 WeakPolarHBondContact CB-OD1 3.36Å; T118-N179 VanDerWaalsContact CG2-OD1 3.27Å; T118-N179 WeakPolarHBondContact CG2-OD1 3.45Å; T118-N179 PolarHBondContact OG1-OD1 3.34Å; I119-N179 PolarHBondContact N-O 3.04Å; N179-V208 HydrophobicContact CB-CB 4.24Å; N179-V208 WeakPolarHBondContact ND2-CG1 3.21Å; N179-N210 VanDerWaalsContact OD1-CB 3.24Å; N179-N210 WeakPolarHBondContact OD1-CB 3.47Å; N179-N210 PolarHBondContact OD1-ND2 2.81Å
180L98.9Very high96.4Very high3 Ų341.5 Ų41.52%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-104.9147.1-176.9-57.1178.6000110.7T118 L152 I178 Y193 V197 L200 L207 V208 N210T118-L180 WeakPolarHBondContact CG2-O 3.32Å; L152-L180 HydrophobicContact CD2-CD2 4.46Å; I178-L180 HydrophobicContact CG2-CD2 3.96Å; L180-Y193 HydrophobicContact CB-CD1 4Å; L180-Y193 HydrophobicContact CB-CE1 4.45Å; L180-Y193 WeakPolarHBondContact O-CE1 3.34Å; L180-V197 HydrophobicContact CD1-CG2 4.04Å; L180-L200 HydrophobicContact CD2-CD1 4.13Å; L180-L207 HydrophobicContact CD1-CD2 4.2Å; L180-V208 PolarHBondContact N-O 3.04Å; L180-N210 WeakPolarHBondContact O-CB 3.28Å; L180-N210 PolarHBondContact O-N 3.3Å; L180-N210 VanDerWaalsContact O-N 3.12Å
181G98.1Very high96.5Very high1 Ų142.6 Ų42.61%0.0123%0.23CC..  trans-151.9171.7176.300000111.6T118 I119 P121T118-G181 VanDerWaalsContact CG2-CA 3.45Å; T118-G181 VanDerWaalsContact CG2-N 3.27Å; I119-G181 PolarHBondContact O-N 2.96Å; P121-G181 WeakPolarHBondContact CD-O 3.47Å
182K97.5Very high96.6Very high20 Ų2037.7 Ų37.79%0.08720%0.204CC..  trans-93.2150.5178.482.3-176.6-162.680.40112.6T120 S186 A189 D192 L219T120-K182 WeakPolarHBondContact CG2-O 3.48Å; K182-S186 PolarHBondContact NZ-O 3.45Å; K182-A189 HydrophobicContact CD-CB 3.69Å; K182-D192 VanDerWaalsContact CA-OD2 3.23Å; K182-D192 WeakPolarHBondContact CA-OD2 3.46Å; K182-D192 HydrophobicContact CB-CB 3.86Å; K182-D192 WeakPolarHBondContact CB-OD2 3.47Å; K182-L219 HydrophobicContact CD-CD1 3.87Å; K182-L219 HydrophobicContact CG-CD1 3.83Å
183N97.3Very high96.7Very high17 Ų1733.6 Ų33.69%0.09118%0.179CC..  trans-63.7146.4168.1-79114.5000111.1T120 P121 K122 Q124 L185 S186 D192T120-N183 WeakPolarHBondContact CB-ND2 3.23Å; T120-N183 PolarHBondContact OG1-ND2 3.15Å; P121-N183 WeakPolarHBondContact CB-OD1 3.34Å; P121-N183 WeakPolarHBondContact CD-OD1 3.39Å; K122-N183 PolarHBondContact N-OD1 2.93Å; K122-N183 PolarHBondContact O-ND2 2.85Å; Q124-N183 VanDerWaalsContact OE1-CA 3.28Å; Q124-N183 PolarHBondContact OE1-ND2 3.43Å; N183-L185 PolarHBondContact O-N 3.16Å; N183-S186 PolarHBondContact O-N 3.49Å; N183-S186 VanDerWaalsContact O-N 3.1Å; N183-D192 PolarHBondContact N-OD2 3.44Å
184K92.2Very high96.7Very high92 Ų9233.8 Ų33.840%0.418%0.181SC..THydrogen-bonded Turntrans-55.5-39.1-177-175.7174.7-179.5173.90113N127N127-K184 PolarHBondContact OD1-NZ 3.33Å
185L90.1Very high96.7Very high151 Ų15136.6 Ų36.679%0.79119%0.193SC*.THydrogen-bonded Turntrans-92.7-3.6-177-57.5179.9000113.8N183 Q187N183-L185 PolarHBondContact O-N 3.16Å; L185-Q187 PolarHBondContact O-N 2.7Å; L185-Q187 PolarHBondContact O-NE2 2.92Å
186S92.9Very high96.7Very high25 Ų2536.6 Ų36.618%0.17519%0.193CC..  trans-69.4129.8179.9-174.50000110.9K182 N183 D188 D192K182-S186 PolarHBondContact NZ-O 3.45Å; N183-S186 PolarHBondContact O-N 3.49Å; N183-S186 VanDerWaalsContact O-N 3.1Å; S186-D188 PolarHBondContact OG-N 3.43Å; S186-D188 PolarHBondContact OG-O 3.01Å; S186-D192 WeakPolarHBondContact CB-OD1 3.32Å; S186-D192 WeakPolarHBondContact CB-OD2 3.3Å; S186-D192 VanDerWaalsContact OG-CG 3.27Å; S186-D192 PolarHBondContact OG-OD1 2.83Å; S186-D192 PolarHBondContact OG-OD2 2.82Å
187Q92.1Very high96.7Very high187 Ų18736.5 Ų36.587%0.87419%0.193SC*.SBendtrans-87.5-20175.7-57.6-55.7-54.300112.1L185L185-Q187 PolarHBondContact O-N 2.7Å; L185-Q187 PolarHBondContact O-NE2 2.92Å
188D94.8Very high96.7Very high85 Ų8542.3 Ų42.346%0.45522%0.215SC..  trans-115.793.9178.8-172-15.7000109.6S186 S190 A191 D192S186-D188 PolarHBondContact OG-N 3.43Å; S186-D188 PolarHBondContact OG-O 3.01Å; D188-S190 VanDerWaalsContact C-N 3.27Å; D188-S190 PolarHBondContact O-N 2.91Å; D188-S190 WeakPolarHBondContact OD1-CA 3.32Å; D188-S190 WeakPolarHBondContact OD1-CB 3.17Å; D188-S190 PolarHBondContact OD1-N 3.41Å; D188-A191 HydrophobicContact CB-CB 3.92Å; D188-A191 VanDerWaalsContact CG-CB 3.49Å; D188-A191 PolarHBondContact O-N 3.04Å; D188-A191 PolarHBondContact OD1-N 2.82Å; D188-D192 PolarHBondContact O-N 3.04Å
189A95.4Very high96.6Very high13 Ų1343.8 Ų43.811%0.10723%0.227CC..Hα-helixtrans-60-40.5176.500000111.4K182 A191 D192 Y193 L222K182-A189 HydrophobicContact CD-CB 3.69Å; A189-A191 VanDerWaalsContact C-N 3.34Å; A189-A191 PolarHBondContact O-N 2.89Å; A189-D192 WeakPolarHBondContact O-CB 3.38Å; A189-D192 PolarHBondContact O-N 2.74Å; A189-Y193 HydrophobicContact CB-CD2 4.46Å; A189-Y193 HydrophobicContact CB-CE2 4.18Å; A189-Y193 WeakPolarHBondContact O-CD2 3.39Å; A189-Y193 PolarHBondContact O-N 2.85Å; A189-Y193 VanDerWaalsContact O-N 3.07Å; A189-L222 HydrophobicContact CB-CD1 3.84Å; A189-L222 HydrophobicContact CB-CD2 4.06Å
190S96.2Very high96.6Very high27 Ų2743.8 Ų43.819%0.18923%0.227CC..Hα-helixtrans-65.2-39.4-175.4-60.40000111.4D188 Y193 S194D188-S190 VanDerWaalsContact C-N 3.27Å; D188-S190 PolarHBondContact O-N 2.91Å; D188-S190 WeakPolarHBondContact OD1-CA 3.32Å; D188-S190 WeakPolarHBondContact OD1-CB 3.17Å; D188-S190 PolarHBondContact OD1-N 3.41Å; S190-Y193 PolarHBondContact O-N 2.84Å; S190-S194 VanDerWaalsContact O-CB 3.3Å; S190-S194 WeakPolarHBondContact O-CB 3.06Å; S190-S194 PolarHBondContact O-N 2.95Å; S190-S194 PolarHBondContact O-OG 3.47Å
191A97.8Very high96.5Very high41 Ų4143.7 Ų43.734%0.33923%0.227SC..Hα-helixtrans-60.3-45.6173.700000112.1D188 A189 Y193 S194 E195D188-A191 HydrophobicContact CB-CB 3.92Å; D188-A191 VanDerWaalsContact CG-CB 3.49Å; D188-A191 PolarHBondContact O-N 3.04Å; D188-A191 PolarHBondContact OD1-N 2.82Å; A189-A191 VanDerWaalsContact C-N 3.34Å; A189-A191 PolarHBondContact O-N 2.89Å; A191-Y193 PolarHBondContact O-N 3.49Å; A191-S194 WeakPolarHBondContact O-CB 3.23Å; A191-S194 PolarHBondContact O-N 3.32Å; A191-E195 PolarHBondContact O-N 2.95Å
192D98.3Very high96.4Very high16 Ų1646.2 Ų46.29%0.08624%0.243CC..Hα-helixtrans-60.8-46.4179-78.126.9000112P121 K182 N183 S186 D188 A189 S194 E195 G196P121-D192 HydrophobicContact CG-CB 3.58Å; K182-D192 VanDerWaalsContact CA-OD2 3.23Å; K182-D192 WeakPolarHBondContact CA-OD2 3.46Å; K182-D192 HydrophobicContact CB-CB 3.86Å; K182-D192 WeakPolarHBondContact CB-OD2 3.47Å; N183-D192 PolarHBondContact N-OD2 3.44Å; S186-D192 WeakPolarHBondContact CB-OD1 3.32Å; S186-D192 WeakPolarHBondContact CB-OD2 3.3Å; S186-D192 VanDerWaalsContact OG-CG 3.27Å; S186-D192 PolarHBondContact OG-OD1 2.83Å; S186-D192 PolarHBondContact OG-OD2 2.82Å; D188-D192 PolarHBondContact O-N 3.04Å; A189-D192 WeakPolarHBondContact O-CB 3.38Å; A189-D192 PolarHBondContact O-N 2.74Å; D192-S194 VanDerWaalsContact C-N 3.35Å; D192-E195 PolarHBondContact O-N 3.11Å; D192-G196 PolarHBondContact O-N 3.27Å; D192-G196 VanDerWaalsContact O-N 3.08Å
193Y98.6Very high96.4Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-65.9-39.2176.8-69.7-74000112L180 A189 S190 A191 E195 G196 V197 V209 N210 L222 L231 V235L180-Y193 HydrophobicContact CB-CD1 4Å; L180-Y193 HydrophobicContact CB-CE1 4.45Å; L180-Y193 WeakPolarHBondContact O-CE1 3.34Å; A189-Y193 HydrophobicContact CB-CD2 4.46Å; A189-Y193 HydrophobicContact CB-CE2 4.18Å; A189-Y193 WeakPolarHBondContact O-CD2 3.39Å; A189-Y193 PolarHBondContact O-N 2.85Å; A189-Y193 VanDerWaalsContact O-N 3.07Å; S190-Y193 PolarHBondContact O-N 2.84Å; A191-Y193 PolarHBondContact O-N 3.49Å; Y193-E195 VanDerWaalsContact C-N 3.33Å; Y193-E195 PolarHBondContact O-N 2.86Å; Y193-G196 WeakPolarHBondContact O-CA 3.37Å; Y193-G196 PolarHBondContact O-N 3.41Å; Y193-G196 VanDerWaalsContact O-N 3.15Å; Y193-V197 VanDerWaalsContact O-CG2 3.3Å; Y193-V197 WeakPolarHBondContact O-CG2 3.42Å; Y193-V197 PolarHBondContact O-N 3.11Å; Y193-V209 HydrophobicContact CD1-CG1 3.88Å; Y193-V209 HydrophobicContact CE1-CG1 3.69Å; Y193-V209 HydrophobicContact CE2-CG1 4.43Å; Y193-V209 HydrophobicContact CG-CG1 4.33Å; Y193-N210 PolarHBondContact OH-O 3.32Å; Y193-L222 HydrophobicContact CE2-CD1 4.2Å; Y193-L231 HydrophobicContact CD2-CD1 3.27Å; Y193-L231 HydrophobicContact CD2-CD2 3.99Å; Y193-L231 HydrophobicContact CD2-CG 4.23Å; Y193-L231 HydrophobicContact CE2-CD1 3.89Å; Y193-L231 HydrophobicContact CE2-CD2 3.73Å; Y193-L231 HydrophobicContact CE2-CG 4.47Å; Y193-L231 HydrophobicContact CG-CD1 3.94Å; Y193-V235 HydrophobicContact CG-CG2 4.48Å
194S98.4Very high96.4Very high5 Ų547 Ų474%0.03525%0.25CC..Hα-helixtrans-62.2-41.2177.1-58.60000111.9S190 A191 D192 G196 V197 R198 T234S190-S194 VanDerWaalsContact O-CB 3.3Å; S190-S194 WeakPolarHBondContact O-CB 3.06Å; S190-S194 PolarHBondContact O-N 2.95Å; S190-S194 PolarHBondContact O-OG 3.47Å; A191-S194 WeakPolarHBondContact O-CB 3.23Å; A191-S194 PolarHBondContact O-N 3.32Å; D192-S194 VanDerWaalsContact C-N 3.35Å; S194-G196 VanDerWaalsContact C-N 3.32Å; S194-G196 PolarHBondContact O-N 3.36Å; S194-V197 PolarHBondContact O-N 3.41Å; S194-R198 WeakPolarHBondContact O-CG 3.35Å; S194-R198 PolarHBondContact O-N 3.33Å; S194-T234 WeakPolarHBondContact OG-CG2 3.26Å
195E98.5Very high96.7Very high83 Ų8343.7 Ų43.739%0.38824%0.237SC..Hα-helixtrans-61.3-43173.2-164.6-177.5146.700111.2L152 A191 D192 Y193 V197 R198 A199L152-E195 HydrophobicContact CD1-CB 4.1Å; L152-E195 HydrophobicContact CD1-CG 3.71Å; A191-E195 PolarHBondContact O-N 2.95Å; D192-E195 PolarHBondContact O-N 3.11Å; Y193-E195 VanDerWaalsContact C-N 3.33Å; Y193-E195 PolarHBondContact O-N 2.86Å; E195-V197 PolarHBondContact O-N 2.86Å; E195-R198 PolarHBondContact O-N 3.33Å; E195-A199 VanDerWaalsContact O-CB 3.26Å; E195-A199 WeakPolarHBondContact O-CB 3.09Å; E195-A199 PolarHBondContact O-N 3.26Å
196G98.6Very high97.2Very high1 Ų136.5 Ų36.51%0.0120%0.199CC..Hα-helixtrans-60.1-43.5174.400000113.5D192 Y193 S194 A199 L200D192-G196 PolarHBondContact O-N 3.27Å; D192-G196 VanDerWaalsContact O-N 3.08Å; Y193-G196 WeakPolarHBondContact O-CA 3.37Å; Y193-G196 PolarHBondContact O-N 3.41Å; Y193-G196 VanDerWaalsContact O-N 3.15Å; S194-G196 VanDerWaalsContact C-N 3.32Å; S194-G196 PolarHBondContact O-N 3.36Å; G196-A199 PolarHBondContact O-N 2.8Å; G196-L200 WeakPolarHBondContact O-CB 3.2Å; G196-L200 PolarHBondContact O-N 2.83Å
197V98.6Very high97.4Very high0 Ų035.4 Ų35.40%019%0.191CC..Hα-helixtrans-62.5-48.3176.9173.90000110.7L180 Y193 S194 E195 A199 G201 L207 V235 E238 R239 L242L180-V197 HydrophobicContact CD1-CG2 4.04Å; Y193-V197 VanDerWaalsContact O-CG2 3.3Å; Y193-V197 WeakPolarHBondContact O-CG2 3.42Å; Y193-V197 PolarHBondContact O-N 3.11Å; S194-V197 PolarHBondContact O-N 3.41Å; E195-V197 PolarHBondContact O-N 2.86Å; V197-A199 PolarHBondContact O-N 2.91Å; V197-G201 WeakPolarHBondContact O-CA 3.48Å; V197-G201 PolarHBondContact O-N 3.41Å; V197-L207 HydrophobicContact CB-CD1 4.41Å; V197-L207 HydrophobicContact CG1-CD1 4.17Å; V197-L207 HydrophobicContact CG2-CD1 4.08Å; V197-V235 HydrophobicContact CG2-CG1 3.87Å; V197-E238 HydrophobicContact CB-CB 4.2Å; V197-E238 HydrophobicContact CG1-CB 3.84Å; V197-R239 HydrophobicContact CG1-CB 4.1Å; V197-L242 HydrophobicContact CG1-CD1 4.32Å
198R97.8Very high97.8Very high122 Ų12226.5 Ų26.546%0.4615%0.149SC..Hα-helixtrans-63.1-42.7179.1-71.6-173.8-65.8-95.11.2112.4S194 E195 E238S194-R198 WeakPolarHBondContact O-CG 3.35Å; S194-R198 PolarHBondContact O-N 3.33Å; E195-R198 PolarHBondContact O-N 3.33Å; R198-E238 WeakPolarHBondContact CD-OE2 3.44Å; R198-E238 WeakPolarHBondContact CG-OE2 3.32Å; R198-E238 IonicContact CZ-OE2 2.77Å; R198-E238 IonicContact NH1-OE1 3.51Å; R198-E238 PolarHBondContact NH1-OE1 3.05Å; R198-E238 IonicContact NH1-OE2 3.38Å; R198-E238 PolarHBondContact NH1-OE2 3.34Å
199A97.8Very high98Very high31 Ų3122.5 Ų22.526%0.25613%0.128SC..Hα-helixtrans-76.4-41.8-175.400000112.8L152 H156 E195 G196 V197L152-A199 HydrophobicContact CB-CB 4.26Å; L152-A199 HydrophobicContact CD1-CB 4.06Å; L152-A199 HydrophobicContact CD2-CB 4.45Å; L152-A199 HydrophobicContact CG-CB 4.5Å; H156-A199 PolarHBondContact CD2-O 3.48Å; E195-A199 VanDerWaalsContact O-CB 3.26Å; E195-A199 WeakPolarHBondContact O-CB 3.09Å; E195-A199 PolarHBondContact O-N 3.26Å; G196-A199 PolarHBondContact O-N 2.8Å; V197-A199 PolarHBondContact O-N 2.91Å
200L98.1Very high98.1Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-115.9-13.2-169.2-61.8-179.2000114.3I119 L152 V155 H156 I178 L180 G196 L203 A204I119-L200 HydrophobicContact CB-CD1 4.45Å; I119-L200 HydrophobicContact CD1-CD1 3.53Å; I119-L200 HydrophobicContact CG2-CD1 4.26Å; L152-L200 HydrophobicContact CD2-CD1 3.39Å; L152-L200 HydrophobicContact CD2-CG 3.81Å; V155-L200 HydrophobicContact CG1-CD1 4.47Å; H156-L200 HydrophobicContact CB-CD2 3.71Å; I178-L200 HydrophobicContact CD1-CB 3.94Å; I178-L200 HydrophobicContact CG2-CB 4.04Å; I178-L200 HydrophobicContact CG2-CD1 3.69Å; L180-L200 HydrophobicContact CD2-CD1 4.13Å; G196-L200 WeakPolarHBondContact O-CB 3.2Å; G196-L200 PolarHBondContact O-N 2.83Å; L200-L203 HydrophobicContact CD2-CD1 4.28Å; L200-L203 PolarHBondContact O-N 3.09Å; L200-A204 PolarHBondContact O-N 2.97Å
201G97.6Very high98.2Very high1 Ų120.8 Ų20.81%0.0112%0.115CC..G310 helixtrans-51.6-47.6175.700000113.7V197 L203 A204V197-G201 WeakPolarHBondContact O-CA 3.48Å; V197-G201 PolarHBondContact O-N 3.41Å; G201-L203 PolarHBondContact O-N 3.37Å; G201-L203 VanDerWaalsContact O-N 3.08Å; G201-A204 PolarHBondContact O-N 3.23Å
202P96.7Very high98.2Very high54 Ų5418.8 Ų18.835%0.35110%0.099SC..G310 helixtrans-62.1-14.7176.6-26.736.9000115.4L242 E244P202-L242 HydrophobicContact CG-CD2 4.32Å; P202-E244 HydrophobicContact CB-CG 4.09Å; P202-E244 HydrophobicContact CG-CG 4.26Å
203L97.2Very high98.2Very high37 Ų3718.4 Ų18.419%0.19410%0.097CC..G310 helixtrans-105.2-3.3-178.3-57179.3000113L159 K160 I178 L200 G201L159-L203 HydrophobicContact CB-CD1 3.89Å; K160-L203 HydrophobicContact CB-CD1 4.14Å; K160-L203 HydrophobicContact CB-CD2 4.31Å; I178-L203 HydrophobicContact CD1-CB 4.31Å; L200-L203 HydrophobicContact CD2-CD1 4.28Å; L200-L203 PolarHBondContact O-N 3.09Å; G201-L203 PolarHBondContact O-N 3.37Å; G201-L203 VanDerWaalsContact O-N 3.08Å
204A97.9Very high98Very high15 Ų1520 Ų2012%0.12411%0.108CC..  trans-102.2142.3-175.100000111.4I178 L200 G201 L207 P248I178-A204 HydrophobicContact CB-CB 4.12Å; I178-A204 HydrophobicContact CD1-CB 3.76Å; I178-A204 HydrophobicContact CG1-CB 3.77Å; L200-A204 PolarHBondContact O-N 2.97Å; G201-A204 PolarHBondContact O-N 3.23Å; A204-L207 HydrophobicContact CB-CD2 3.66Å; A204-L207 HydrophobicContact CB-CG 4.18Å; A204-P248 HydrophobicContact CB-CB 4.37Å
205D98.5Very high97.9Very high24 Ų2420.6 Ų20.613%0.12811%0.11CC..SBendtrans-79.1-32.1160.5-67-69.6000111L84 S170 P175 L176 P249L84-D205 HydrophobicContact CD1-CB 4.09Å; L84-D205 HydrophobicContact CD2-CB 4.11Å; S170-D205 WeakPolarHBondContact CB-OD1 3.37Å; S170-D205 PolarHBondContact OG-OD1 3.46Å; S170-D205 PolarHBondContact OG-OD2 3.39Å; P175-D205 VanDerWaalsContact CA-OD2 3.3Å; P175-D205 WeakPolarHBondContact CA-OD2 3.48Å; P175-D205 HydrophobicContact CB-CB 3.74Å; L176-D205 PolarHBondContact N-OD2 2.81Å; L176-D205 WeakPolarHBondContact O-CB 3.38Å; L176-D205 PolarHBondContact O-N 2.82Å; D205-P249 WeakPolarHBondContact O-CD 3.19Å
206Y98.8Very high97.6Very high0 Ų016.8 Ų16.80%09%0.093CC..EExtended strand (participates in β ladder)trans-147.2148.9170.271.3-91.8000111.6L84 F113 E115 L176 G177 I178 V208 P249 L251L84-Y206 HydrophobicContact CD1-CD1 4.4Å; F113-Y206 HydrophobicContact CD2-CE1 4.13Å; F113-Y206 WeakPolarHBondContact CD2-OH 3.34Å; E115-Y206 PolarHBondContact OE2-OH 3.32Å; L176-Y206 PolarHBondContact O-N 2.83Å; G177-Y206 WeakPolarHBondContact CA-O 3.38Å; I178-Y206 PolarHBondContact N-O 3.01Å; Y206-V208 HydrophobicContact CD2-CG2 3.74Å; Y206-V208 HydrophobicContact CE2-CG2 3.47Å; Y206-V208 VanDerWaalsContact CE2-CG2 3.47Å; Y206-P249 WeakPolarHBondContact CA-O 3.33Å; Y206-L251 HydrophobicContact CD2-CD1 4.23Å; Y206-L251 HydrophobicContact CD2-CD2 4.24Å; Y206-L251 HydrophobicContact CE2-CD2 4.46Å
207L98.9Very high97.1Very high1 Ų121.2 Ų21.21%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-104.3147.3176.4-68.8177.5000110.6I178 L180 V197 A204 P248 P249 L251I178-L207 HydrophobicContact CB-CD2 4.08Å; L180-L207 HydrophobicContact CD1-CD2 4.2Å; V197-L207 HydrophobicContact CB-CD1 4.41Å; V197-L207 HydrophobicContact CG1-CD1 4.17Å; V197-L207 HydrophobicContact CG2-CD1 4.08Å; A204-L207 HydrophobicContact CB-CD2 3.66Å; A204-L207 HydrophobicContact CB-CG 4.18Å; L207-P248 HydrophobicContact CD1-CG 3.9Å; L207-P248 HydrophobicContact CG-CB 4.24Å; L207-P248 HydrophobicContact CG-CG 3.98Å; L207-P249 PolarHBondContact N-O 3.38Å; L207-L251 PolarHBondContact O-N 3.33Å
208V98.9Very high96.6Very high0 Ų023.2 Ų23.20%014%0.142CC..EExtended strand (participates in β ladder)trans-124124.5174.5-173.40000110.4I178 N179 L180 Y206 L251 K253 M279I178-V208 PolarHBondContact O-N 3.31Å; N179-V208 HydrophobicContact CB-CB 4.24Å; N179-V208 WeakPolarHBondContact ND2-CG1 3.21Å; L180-V208 PolarHBondContact N-O 3.04Å; Y206-V208 HydrophobicContact CD2-CG2 3.74Å; Y206-V208 HydrophobicContact CE2-CG2 3.47Å; Y206-V208 VanDerWaalsContact CE2-CG2 3.47Å; V208-L251 CarbonylContact C-O 3.52Å; V208-L251 WeakPolarHBondContact CA-O 3.5Å; V208-L251 HydrophobicContact CG2-CB 4.45Å; V208-K253 HydrophobicContact CG1-CB 3.72Å; V208-K253 HydrophobicContact CG1-CD 4.5Å; V208-M279 HydrophobicContact CB-SD 4.07Å; V208-M279 HydrophobicContact CG1-CG 4.32Å; V208-M279 HydrophobicContact CG1-SD 3.42Å; V208-M279 WeakPolarHBondContact CG1-SD 3.35Å; V208-M279 HydrophobicContact CG2-SD 3.43Å; V208-M279 WeakPolarHBondContact CG2-SD 3.37Å
209V98.9Very high96.5Very high1 Ų117.4 Ų17.41%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-88.8107.2169.9-1730000108.4Y193 V211 L231 L232 V235 V250 L251 V252 K253Y193-V209 HydrophobicContact CD1-CG1 3.88Å; Y193-V209 HydrophobicContact CE1-CG1 3.69Å; Y193-V209 HydrophobicContact CE2-CG1 4.43Å; Y193-V209 HydrophobicContact CG-CG1 4.33Å; V209-V211 HydrophobicContact CG1-CG1 4.1Å; V209-V211 PolarHBondContact O-N 2.98Å; V209-L231 HydrophobicContact CG1-CD2 3.84Å; V209-L231 HydrophobicContact CG1-CG 4.3Å; V209-L232 HydrophobicContact CB-CD2 4.32Å; V209-L232 HydrophobicContact CG1-CD2 4.31Å; V209-L232 HydrophobicContact CG2-CD2 4.17Å; V209-V235 HydrophobicContact CG2-CB 4.37Å; V209-V235 HydrophobicContact CG2-CG1 3.76Å; V209-V235 HydrophobicContact CG2-CG2 4.11Å; V209-V250 HydrophobicContact CG2-CG1 3.89Å; V209-L251 PolarHBondContact N-O 3.09Å; V209-V252 HydrophobicContact CB-CG2 4.49Å; V209-K253 PolarHBondContact O-N 3.14Å
210N98.8Very high96.4Very high4 Ų418.1 Ų18.12%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-93.394.4-177.7-175.3-3.4000113T118 N179 L180 Y193 S212 S213 N282T118-N210 HydrophobicContact CG2-CB 4.26Å; T118-N210 PolarHBondContact OG1-ND2 3.19Å; N179-N210 VanDerWaalsContact OD1-CB 3.24Å; N179-N210 WeakPolarHBondContact OD1-CB 3.47Å; N179-N210 PolarHBondContact OD1-ND2 2.81Å; L180-N210 WeakPolarHBondContact O-CB 3.28Å; L180-N210 PolarHBondContact O-N 3.3Å; L180-N210 VanDerWaalsContact O-N 3.12Å; Y193-N210 PolarHBondContact OH-O 3.32Å; N210-S212 PolarHBondContact OD1-N 3.12Å; N210-S212 VanDerWaalsContact OD1-N 3.11Å; N210-S212 PolarHBondContact OD1-OG 2.81Å; N210-S212 VanDerWaalsContact OD1-OG 3.08Å; N210-S213 PolarHBondContact OD1-N 2.77Å; N210-N282 PolarHBondContact OD1-ND2 2.88Å
211V98.4Very high96.2Very high0 Ų023.7 Ų23.70%015%0.146CC..  trans-97.515.9176.4-65.90000113.5V209 R220 L222 Q223 L228 L231 V252V209-V211 HydrophobicContact CG1-CG1 4.1Å; V209-V211 PolarHBondContact O-N 2.98Å; V211-R220 WeakPolarHBondContact O-CA 3.22Å; V211-L222 HydrophobicContact CB-CB 4.07Å; V211-L222 HydrophobicContact CG1-CB 3.8Å; V211-L222 HydrophobicContact CG1-CD1 4.17Å; V211-Q223 HydrophobicContact CB-CG 4.03Å; V211-Q223 HydrophobicContact CG2-CG 3.6Å; V211-L228 HydrophobicContact CG2-CD1 4.37Å; V211-L231 HydrophobicContact CG1-CD2 3.6Å; V211-V252 HydrophobicContact CG2-CG1 3.91Å
212S98.1Very high96.2Very high0 Ų024.9 Ų24.90%015%0.152CC..  trans-126.9-1-163.251.40000116.4N210 P214 R220 K253 N282N210-S212 PolarHBondContact OD1-N 3.12Å; N210-S212 VanDerWaalsContact OD1-N 3.11Å; N210-S212 PolarHBondContact OD1-OG 2.81Å; N210-S212 VanDerWaalsContact OD1-OG 3.08Å; S212-P214 WeakPolarHBondContact O-CD 3.49Å; S212-R220 PolarHBondContact O-NE 2.97Å; S212-R220 PolarHBondContact O-NH2 2.91Å; S212-K253 VanDerWaalsContact CB-O 3.22Å; S212-K253 WeakPolarHBondContact CB-O 3.39Å; S212-K253 VanDerWaalsContact OG-C 3.31Å; S212-K253 PolarHBondContact OG-O 3.27Å; S212-N282 VanDerWaalsContact OG-CB 3.31Å; S212-N282 WeakPolarHBondContact OG-CB 3.4Å; S212-N282 PolarHBondContact OG-ND2 2.82Å
213S96.9Very high96.2Very high8 Ų822.9 Ų22.96%0.05614%0.138CC..  trans-60.2126.2174.3179.40000111N210 N215 L219 N282N210-S213 PolarHBondContact OD1-N 2.77Å; S213-N215 PolarHBondContact O-N 2.98Å; S213-N215 PolarHBondContact OG-N 3.19Å; S213-L219 VanDerWaalsContact CB-CD2 3.48Å; S213-N282 PolarHBondContact N-ND2 3.37Å
214P95.8Very high96.1Very high34 Ų3422.2 Ų22.222%0.22114%0.14CC..THydrogen-bonded Turntrans-73.7-7.6172.525.2-26.4000113.4S212 V285S212-P214 WeakPolarHBondContact O-CD 3.49Å; P214-V285 HydrophobicContact CB-CG1 3.5Å; P214-V285 VanDerWaalsContact CB-CG1 3.5Å; P214-V285 HydrophobicContact CG-CG1 4.33Å
215N95.6Very high96.1Very high16 Ų1624.4 Ų24.49%0.08615%0.147CC..THydrogen-bonded Turntrans-104.20.8-163.4-57.8-41.7000113.4N127 N143 R144 S213 G300N127-N215 PolarHBondContact ND2-O 3.31Å; N143-N215 PolarHBondContact O-ND2 3.41Å; N143-N215 PolarHBondContact O-OD1 3.32Å; N143-N215 PolarHBondContact OD1-ND2 2.83Å; R144-N215 VanDerWaalsContact CA-CG 3.47Å; R144-N215 WeakPolarHBondContact CA-OD1 3.46Å; S213-N215 PolarHBondContact O-N 2.98Å; S213-N215 PolarHBondContact OG-N 3.19Å; N215-G300 WeakPolarHBondContact OD1-CA 3.35Å
216T91.4Very high96Very high4 Ų427.7 Ų27.73%0.02517%0.168CC..SBendtrans-119.2110.2175.3-56.70000106.9G218 L219T216-G218 PolarHBondContact O-N 3.46Å; T216-L219 HydrophobicContact CG2-CB 4.24Å; T216-L219 VanDerWaalsContact O-CB 3.26Å; T216-L219 WeakPolarHBondContact O-CB 3.36Å; T216-L219 PolarHBondContact O-N 2.86Å; T216-L219 VanDerWaalsContact O-N 3.17Å
217P88.2Confident96Very high94 Ų9432.3 Ų32.361%0.6119%0.19SC*.THydrogen-bonded Turntrans-52.7138.2-178.4-2835.6000112.5L219P217-L219 PolarHBondContact O-N 2.88Å; P217-L219 VanDerWaalsContact O-N 3.16Å
218G89.4Confident96Very high41 Ų4132.3 Ų32.342%0.42319%0.19SC..THydrogen-bonded Turntrans70.4-1.8179.700000115.9T216 D221T216-G218 PolarHBondContact O-N 3.46Å; G218-D221 WeakPolarHBondContact CA-OD2 3.32Å; G218-D221 PolarHBondContact O-N 3.32Å
219L94.3Very high96Very high0 Ų034.8 Ų34.80%020%0.199CC..SBendtrans-68-39-177.4-171.277.8000112.3F147 K182 S213 T216 P217 D221 L222F147-L219 HydrophobicContact CE2-CD2 3.84Å; F147-L219 HydrophobicContact CZ-CD2 3.83Å; K182-L219 HydrophobicContact CD-CD1 3.87Å; K182-L219 HydrophobicContact CG-CD1 3.83Å; S213-L219 VanDerWaalsContact CB-CD2 3.48Å; T216-L219 HydrophobicContact CG2-CB 4.24Å; T216-L219 VanDerWaalsContact O-CB 3.26Å; T216-L219 WeakPolarHBondContact O-CB 3.36Å; T216-L219 PolarHBondContact O-N 2.86Å; T216-L219 VanDerWaalsContact O-N 3.17Å; P217-L219 PolarHBondContact O-N 2.88Å; P217-L219 VanDerWaalsContact O-N 3.16Å; L219-D221 PolarHBondContact O-N 3.04Å; L219-L222 HydrophobicContact CD1-CD1 3.87Å; L219-L222 VanDerWaalsContact O-CB 3.26Å; L219-L222 WeakPolarHBondContact O-CB 3.35Å; L219-L222 WeakPolarHBondContact O-CG 3.22Å; L219-L222 PolarHBondContact O-N 3.32Å
220R95.8Very high95.9Very high46 Ų4640 Ų4017%0.17422%0.223CC..G310 helixtrans-70.1-19.9-178.4-72.6-177.5174.8-161.7-7.1113.2V211 S212 L222 Q223 D257 T283V211-R220 WeakPolarHBondContact O-CA 3.22Å; S212-R220 PolarHBondContact O-NE 2.97Å; S212-R220 PolarHBondContact O-NH2 2.91Å; R220-L222 PolarHBondContact O-N 3.35Å; R220-Q223 VanDerWaalsContact O-CB 3.31Å; R220-Q223 WeakPolarHBondContact O-CB 3.46Å; R220-Q223 WeakPolarHBondContact O-CG 3.41Å; R220-Q223 PolarHBondContact O-N 2.85Å; R220-Q223 VanDerWaalsContact O-N 3.1Å; R220-Q223 PolarHBondContact O-NE2 2.85Å; R220-Q223 VanDerWaalsContact O-NE2 3.15Å; R220-D257 IonicContact CZ-OD2 3.4Å; R220-D257 IonicContact NH1-OD2 3.45Å; R220-D257 PolarHBondContact NH1-OD2 2.83Å; R220-D257 IonicContact NH2-OD2 3.29Å; R220-D257 PolarHBondContact NH2-OD2 2.84Å; R220-T283 PolarHBondContact NH2-O 2.76Å
221D94.5Very high95.9Very high117 Ų11740 Ų4063%0.62622%0.223SC*.G310 helixtrans-67.3-22.3175.7-52.2-19.9000110.9G218 L219 Q223 G224G218-D221 WeakPolarHBondContact CA-OD2 3.32Å; G218-D221 PolarHBondContact O-N 3.32Å; L219-D221 PolarHBondContact O-N 3.04Å; D221-Q223 PolarHBondContact O-N 3.43Å; D221-G224 PolarHBondContact O-N 3.4Å
222L96.3Very high95.9Very high26 Ų2640 Ų4014%0.13622%0.223CC..G310 helixtrans-65.2-6.8171.8-60.2175.4000113.7A189 Y193 V211 L219 R220 G224 L228 L231A189-L222 HydrophobicContact CB-CD1 3.84Å; A189-L222 HydrophobicContact CB-CD2 4.06Å; Y193-L222 HydrophobicContact CE2-CD1 4.2Å; V211-L222 HydrophobicContact CB-CB 4.07Å; V211-L222 HydrophobicContact CG1-CB 3.8Å; V211-L222 HydrophobicContact CG1-CD1 4.17Å; L219-L222 HydrophobicContact CD1-CD1 3.87Å; L219-L222 VanDerWaalsContact O-CB 3.26Å; L219-L222 WeakPolarHBondContact O-CB 3.35Å; L219-L222 WeakPolarHBondContact O-CG 3.22Å; L219-L222 PolarHBondContact O-N 3.32Å; R220-L222 PolarHBondContact O-N 3.35Å; L222-G224 VanDerWaalsContact C-N 3.32Å; L222-L228 WeakPolarHBondContact O-CA 2.95Å; L222-L228 VanDerWaalsContact O-CB 3.3Å; L222-L228 WeakPolarHBondContact O-CB 3.22Å; L222-L228 PolarHBondContact O-N 3.32Å; L222-L231 HydrophobicContact CD1-CD2 4.29Å
223Q96.8Very high95.9Very high12 Ų1245.7 Ų45.76%0.05625%0.245CC..G310 helixtrans-84.9-7.3172.7-63.2173.5110.900112.5V211 R220 D221 I266V211-Q223 HydrophobicContact CB-CG 4.03Å; V211-Q223 HydrophobicContact CG2-CG 3.6Å; R220-Q223 VanDerWaalsContact O-CB 3.31Å; R220-Q223 WeakPolarHBondContact O-CB 3.46Å; R220-Q223 WeakPolarHBondContact O-CG 3.41Å; R220-Q223 PolarHBondContact O-N 2.85Å; R220-Q223 VanDerWaalsContact O-N 3.1Å; R220-Q223 PolarHBondContact O-NE2 2.85Å; R220-Q223 VanDerWaalsContact O-NE2 3.15Å; D221-Q223 PolarHBondContact O-N 3.43Å; Q223-I266 HydrophobicContact CB-CD1 4.39Å
224G96.3Very high96Very high24 Ų2446.8 Ų46.825%0.24725%0.251CS..SBendtrans-59.2144.1169.800000111.5D221 L222 T226 E227 L228D221-G224 PolarHBondContact O-N 3.4Å; L222-G224 VanDerWaalsContact C-N 3.32Å; G224-T226 VanDerWaalsContact C-N 3.3Å; G224-T226 PolarHBondContact O-N 3.2Å; G224-E227 PolarHBondContact O-N 3.03Å; G224-L228 WeakPolarHBondContact O-CB 3.24Å; G224-L228 PolarHBondContact O-N 3.43Å
225K97.4Very high96.1Very high60 Ų6045.2 Ų45.226%0.26124%0.241SC..Hα-helixtrans-52.4-44.9-169.8-165176.8-158.41430113.3R229 D265 D268 V269K225-R229 VanDerWaalsContact O-CB 3.23Å; K225-R229 WeakPolarHBondContact O-CB 3.31Å; K225-R229 PolarHBondContact O-N 3.13Å; K225-R229 VanDerWaalsContact O-N 3.17Å; K225-D265 HydrophobicContact CB-CB 3.91Å; K225-D265 HydrophobicContact CD-CB 4.07Å; K225-D265 WeakPolarHBondContact CD-OD1 3.3Å; K225-D265 WeakPolarHBondContact CE-OD1 3.22Å; K225-D265 HydrophobicContact CG-CB 3.95Å; K225-D265 IonicContact NZ-OD1 2.78Å; K225-D265 PolarHBondContact NZ-OD1 2.84Å; K225-D268 IonicContact NZ-OD2 3.92Å; K225-D268 PolarHBondContact NZ-OD2 3.2Å; K225-V269 HydrophobicContact CG-CG2 3.8Å
226T97.7Very high96.2Very high94 Ų9445.6 Ų45.658%0.57724%0.242SC*.Hα-helixtrans-73.8-47.1-175.1-60.30000111.2G224 R229 Q230G224-T226 VanDerWaalsContact C-N 3.3Å; G224-T226 PolarHBondContact O-N 3.2Å; T226-R229 PolarHBondContact O-N 3.39Å; T226-Q230 WeakPolarHBondContact O-CB 3.33Å; T226-Q230 PolarHBondContact O-N 2.99Å
227E97.8Very high96.5Very high97 Ų9752.6 Ų52.645%0.45327%0.272SS..Hα-helixtrans-64.2-46.6-178.4-65.368.2-15400110.4G224 Q230 L231G224-E227 PolarHBondContact O-N 3.03Å; E227-Q230 PolarHBondContact O-N 3.3Å; E227-L231 VanDerWaalsContact O-CB 3.31Å; E227-L231 WeakPolarHBondContact O-CB 3.49Å; E227-L231 PolarHBondContact O-N 2.92Å
228L98.5Very high97Very high1 Ų150.2 Ų50.21%0.00525%0.253CS..Hα-helixtrans-61.9-46.6177.3-173.361.8000110.8V211 L222 G224 Q230 L231 L232 V252 I266 V269V211-L228 HydrophobicContact CG2-CD1 4.37Å; L222-L228 WeakPolarHBondContact O-CA 2.95Å; L222-L228 VanDerWaalsContact O-CB 3.3Å; L222-L228 WeakPolarHBondContact O-CB 3.22Å; L222-L228 PolarHBondContact O-N 3.32Å; G224-L228 WeakPolarHBondContact O-CB 3.24Å; G224-L228 PolarHBondContact O-N 3.43Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; L228-Q230 PolarHBondContact O-N 2.89Å; L228-L231 PolarHBondContact O-N 2.99Å; L228-L232 HydrophobicContact CD1-CD1 3.7Å; L228-L232 HydrophobicContact CD1-CD2 4.45Å; L228-L232 HydrophobicContact CD1-CG 3.93Å; L228-L232 HydrophobicContact CD2-CD1 4.38Å; L228-L232 HydrophobicContact CG-CD1 3.69Å; L228-L232 HydrophobicContact CG-CG 4.24Å; L228-L232 WeakPolarHBondContact O-CB 3.37Å; L228-L232 VanDerWaalsContact O-CG 3.22Å; L228-L232 WeakPolarHBondContact O-CG 3.19Å; L228-L232 PolarHBondContact O-N 2.87Å; L228-V252 HydrophobicContact CD1-CG1 4.25Å; L228-I266 HydrophobicContact CD2-CB 4.25Å; L228-I266 HydrophobicContact CD2-CG1 3.74Å; L228-I266 HydrophobicContact CD2-CG2 4.28Å; L228-V269 HydrophobicContact CD2-CB 4.47Å; L228-V269 HydrophobicContact CD2-CG1 4.31Å; L228-V269 HydrophobicContact CG-CG1 4.14Å
229R98.6Very high97.4Very high52 Ų5249.4 Ų49.420%0.19624%0.238CC..Hα-helixtrans-58.6-47.2177.9-179.9-173.8-74.4119.6-3.7111.3K225 T226 R233 V269 E272 L273K225-R229 VanDerWaalsContact O-CB 3.23Å; K225-R229 WeakPolarHBondContact O-CB 3.31Å; K225-R229 PolarHBondContact O-N 3.13Å; K225-R229 VanDerWaalsContact O-N 3.17Å; T226-R229 PolarHBondContact O-N 3.39Å; R229-R233 WeakPolarHBondContact O-CB 3.12Å; R229-R233 VanDerWaalsContact O-CG 3.27Å; R229-R233 WeakPolarHBondContact O-CG 3.19Å; R229-R233 PolarHBondContact O-N 3.48Å; R229-V269 HydrophobicContact CB-CG1 3.95Å; R229-V269 HydrophobicContact CB-CG2 4.14Å; R229-E272 IonicContact CZ-OE2 3.53Å; R229-E272 VanDerWaalsContact CZ-OE2 3.3Å; R229-E272 IonicContact NE-OE1 2.88Å; R229-E272 PolarHBondContact NE-OE1 3.04Å; R229-E272 IonicContact NE-OE2 2.72Å; R229-E272 PolarHBondContact NE-OE2 3.48Å; R229-E272 IonicContact NH2-OE2 3.41Å; R229-E272 PolarHBondContact NH2-OE2 2.95Å; R229-L273 HydrophobicContact CG-CD1 4.24Å
230Q98.2Very high97.4Very high111 Ų11152.2 Ų52.252%0.51925%0.253SS..Hα-helixtrans-64.5-44.2-179.3-177.859.620.900111.9T226 E227 L228 T234T226-Q230 WeakPolarHBondContact O-CB 3.33Å; T226-Q230 PolarHBondContact O-N 2.99Å; E227-Q230 PolarHBondContact O-N 3.3Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; L228-Q230 PolarHBondContact O-N 2.89Å; Q230-T234 PolarHBondContact O-N 2.99Å; Q230-T234 VanDerWaalsContact O-N 3.17Å; Q230-T234 PolarHBondContact O-OG1 2.9Å
231L98.5Very high97.5Very high2 Ų253.4 Ų53.41%0.0127%0.272CS..Hα-helixtrans-61-50.9177.6171.758.2000111.3Y193 V209 V211 L222 E227 L228 T234 V235Y193-L231 HydrophobicContact CD2-CD1 3.27Å; Y193-L231 HydrophobicContact CD2-CD2 3.99Å; Y193-L231 HydrophobicContact CD2-CG 4.23Å; Y193-L231 HydrophobicContact CE2-CD1 3.89Å; Y193-L231 HydrophobicContact CE2-CD2 3.73Å; Y193-L231 HydrophobicContact CE2-CG 4.47Å; Y193-L231 HydrophobicContact CG-CD1 3.94Å; V209-L231 HydrophobicContact CG1-CD2 3.84Å; V209-L231 HydrophobicContact CG1-CG 4.3Å; V211-L231 HydrophobicContact CG1-CD2 3.6Å; L222-L231 HydrophobicContact CD1-CD2 4.29Å; E227-L231 VanDerWaalsContact O-CB 3.31Å; E227-L231 WeakPolarHBondContact O-CB 3.49Å; E227-L231 PolarHBondContact O-N 2.92Å; L228-L231 PolarHBondContact O-N 2.99Å; L231-T234 WeakPolarHBondContact O-CB 3.42Å; L231-T234 PolarHBondContact O-N 3.41Å; L231-T234 VanDerWaalsContact O-N 3.12Å; L231-V235 HydrophobicContact CD1-CG2 4.02Å; L231-V235 WeakPolarHBondContact O-CG2 3.4Å; L231-V235 PolarHBondContact O-N 3.17Å
232L98.6Very high97.5Very high0 Ų048.8 Ų48.80%025%0.247CC..Hα-helixtrans-68.8-37.2-175.9-64.8177.4000112.5V209 L228 T234 V235 I236 V252 V269 V270 L273 V275V209-L232 HydrophobicContact CB-CD2 4.32Å; V209-L232 HydrophobicContact CG1-CD2 4.31Å; V209-L232 HydrophobicContact CG2-CD2 4.17Å; L228-L232 HydrophobicContact CD1-CD1 3.7Å; L228-L232 HydrophobicContact CD1-CD2 4.45Å; L228-L232 HydrophobicContact CD1-CG 3.93Å; L228-L232 HydrophobicContact CD2-CD1 4.38Å; L228-L232 HydrophobicContact CG-CD1 3.69Å; L228-L232 HydrophobicContact CG-CG 4.24Å; L228-L232 WeakPolarHBondContact O-CB 3.37Å; L228-L232 VanDerWaalsContact O-CG 3.22Å; L228-L232 WeakPolarHBondContact O-CG 3.19Å; L228-L232 PolarHBondContact O-N 2.87Å; L232-T234 PolarHBondContact O-N 3.41Å; L232-V235 PolarHBondContact O-N 3.2Å; L232-I236 WeakPolarHBondContact O-CB 3.02Å; L232-I236 VanDerWaalsContact O-CG1 3.23Å; L232-I236 WeakPolarHBondContact O-CG1 3.44Å; L232-I236 PolarHBondContact O-N 3.41Å; L232-V252 HydrophobicContact CD1-CG2 3.8Å; L232-V252 HydrophobicContact CD2-CG2 3.31Å; L232-V252 HydrophobicContact CG-CG2 4.19Å; L232-V269 HydrophobicContact CD1-CG1 4.09Å; L232-V270 HydrophobicContact CD1-CG1 4.48Å; L232-L273 HydrophobicContact CB-CD1 3.64Å; L232-V275 HydrophobicContact CD1-CG2 3.89Å
233R98.4Very high96.9Very high121 Ų12156.9 Ų56.946%0.45728%0.284SS..Hα-helixtrans-55.6-42.8170-79.5177.9179178.60.6111.5R229 K237 E272 L273R229-R233 WeakPolarHBondContact O-CB 3.12Å; R229-R233 VanDerWaalsContact O-CG 3.27Å; R229-R233 WeakPolarHBondContact O-CG 3.19Å; R229-R233 PolarHBondContact O-N 3.48Å; R233-K237 VanDerWaalsContact O-CB 3.26Å; R233-K237 WeakPolarHBondContact O-CB 3.4Å; R233-K237 PolarHBondContact O-N 2.93Å; R233-E272 IonicContact CZ-OE1 3.3Å; R233-E272 IonicContact NH2-OE1 2.82Å; R233-E272 PolarHBondContact NH2-OE1 2.82Å; R233-L273 HydrophobicContact CG-CD1 3.86Å; R233-L273 HydrophobicContact CG-CD2 3.51Å; R233-L273 HydrophobicContact CG-CG 4.34Å
234T98.3Very high95.8Very high31 Ų3160.6 Ų60.619%0.1930%0.302CS..Hα-helixtrans-67.1-48.9179.2-53.60000111S194 Q230 L231 L232 I236 K237 E238S194-T234 WeakPolarHBondContact OG-CG2 3.26Å; Q230-T234 PolarHBondContact O-N 2.99Å; Q230-T234 VanDerWaalsContact O-N 3.17Å; Q230-T234 PolarHBondContact O-OG1 2.9Å; L231-T234 WeakPolarHBondContact O-CB 3.42Å; L231-T234 PolarHBondContact O-N 3.41Å; L231-T234 VanDerWaalsContact O-N 3.12Å; L232-T234 PolarHBondContact O-N 3.41Å; T234-I236 PolarHBondContact O-N 3.02Å; T234-K237 PolarHBondContact O-N 3.38Å; T234-E238 WeakPolarHBondContact O-CG 3.35Å; T234-E238 PolarHBondContact O-N 3.32Å
235V98.4Very high94.5Very high1 Ų167 Ų671%0.00634%0.336CS..Hα-helixtrans-60.4-46178.8168.60000112.1Y193 V197 V209 L231 L232 E238 R239 V250Y193-V235 HydrophobicContact CG-CG2 4.48Å; V197-V235 HydrophobicContact CG2-CG1 3.87Å; V209-V235 HydrophobicContact CG2-CB 4.37Å; V209-V235 HydrophobicContact CG2-CG1 3.76Å; V209-V235 HydrophobicContact CG2-CG2 4.11Å; L231-V235 HydrophobicContact CD1-CG2 4.02Å; L231-V235 WeakPolarHBondContact O-CG2 3.4Å; L231-V235 PolarHBondContact O-N 3.17Å; L232-V235 PolarHBondContact O-N 3.2Å; V235-E238 PolarHBondContact O-N 2.91Å; V235-R239 WeakPolarHBondContact O-CB 3.42Å; V235-R239 PolarHBondContact O-N 3.47Å; V235-V250 HydrophobicContact CG1-CG1 3.75Å; V235-V250 HydrophobicContact CG1-CG2 4.26Å
236I97.9Very high93.3Very high23 Ų2370.6 Ų70.612%0.11835%0.348CS..Hα-helixtrans-64.2-43.6179.5-68.7166.4000110.2L232 T234 E238 R239 D240 L273 V275L232-I236 WeakPolarHBondContact O-CB 3.02Å; L232-I236 VanDerWaalsContact O-CG1 3.23Å; L232-I236 WeakPolarHBondContact O-CG1 3.44Å; L232-I236 PolarHBondContact O-N 3.41Å; T234-I236 PolarHBondContact O-N 3.02Å; I236-E238 VanDerWaalsContact C-N 3.33Å; I236-E238 PolarHBondContact O-N 3.42Å; I236-R239 PolarHBondContact O-N 2.96Å; I236-D240 WeakPolarHBondContact O-CB 3.45Å; I236-D240 VanDerWaalsContact O-CG 3.24Å; I236-D240 PolarHBondContact O-N 2.71Å; I236-L273 HydrophobicContact CD1-CB 4.03Å; I236-V275 HydrophobicContact CD1-CG2 4.19Å
237K97.6Very high93Very high151 Ų15172.1 Ų72.166%0.65734%0.343SS*.Hα-helixtrans-57.6-45.7175.3-179.9-176175-173.50111.8R233 T234 D240 A241R233-K237 VanDerWaalsContact O-CB 3.26Å; R233-K237 WeakPolarHBondContact O-CB 3.4Å; R233-K237 PolarHBondContact O-N 2.93Å; T234-K237 PolarHBondContact O-N 3.38Å; K237-D240 PolarHBondContact O-N 3.08Å; K237-A241 WeakPolarHBondContact O-CB 3.38Å; K237-A241 PolarHBondContact O-N 3.41Å; K237-A241 VanDerWaalsContact O-N 3.08Å
238E97.6Very high92.9Very high45 Ų4567.7 Ų67.721%0.2132%0.323CS..Hα-helixtrans-65.6-40.1177.4-68.6-70.1150.700111.8V197 R198 T234 V235 I236 D240 A241 L242V197-E238 HydrophobicContact CB-CB 4.2Å; V197-E238 HydrophobicContact CG1-CB 3.84Å; R198-E238 WeakPolarHBondContact CD-OE2 3.44Å; R198-E238 WeakPolarHBondContact CG-OE2 3.32Å; R198-E238 IonicContact CZ-OE2 2.77Å; R198-E238 IonicContact NH1-OE1 3.51Å; R198-E238 PolarHBondContact NH1-OE1 3.05Å; R198-E238 IonicContact NH1-OE2 3.38Å; R198-E238 PolarHBondContact NH1-OE2 3.34Å; T234-E238 WeakPolarHBondContact O-CG 3.35Å; T234-E238 PolarHBondContact O-N 3.32Å; V235-E238 PolarHBondContact O-N 2.91Å; I236-E238 VanDerWaalsContact C-N 3.33Å; I236-E238 PolarHBondContact O-N 3.42Å; E238-D240 VanDerWaalsContact C-N 3.32Å; E238-D240 PolarHBondContact O-N 2.98Å; E238-A241 PolarHBondContact O-N 2.86Å; E238-L242 PolarHBondContact O-N 3.47Å
239R97.3Very high92.9Very high24 Ų2468 Ų689%0.09133%0.325CS..Hα-helixtrans-62.4-42.2176.1-171-79-55.3-90.82.7110.9V197 V235 I236 A241 L242 P248 V250 D276V197-R239 HydrophobicContact CG1-CB 4.1Å; V235-R239 WeakPolarHBondContact O-CB 3.42Å; V235-R239 PolarHBondContact O-N 3.47Å; I236-R239 PolarHBondContact O-N 2.96Å; R239-A241 VanDerWaalsContact C-N 3.26Å; R239-A241 PolarHBondContact O-N 3.37Å; R239-L242 WeakPolarHBondContact O-CB 3.38Å; R239-L242 WeakPolarHBondContact O-CG 3.22Å; R239-L242 PolarHBondContact O-N 2.88Å; R239-P248 WeakPolarHBondContact CD-O 3.44Å; R239-P248 HydrophobicContact CG-CG 4.22Å; R239-P248 WeakPolarHBondContact CG-O 3.41Å; R239-P248 PolarHBondContact NH1-O 3.2Å; R239-V250 HydrophobicContact CB-CG2 4.09Å; R239-V250 HydrophobicContact CG-CG2 3.77Å; R239-D276 IonicContact CZ-OD2 3.78Å; R239-D276 IonicContact NH1-OD2 2.77Å; R239-D276 PolarHBondContact NH1-OD2 3.26Å; R239-D276 IonicContact NH2-OD2 3.27Å
240D96.1Very high92.9Very high59 Ų5965.5 Ų65.532%0.31632%0.315SS..Hα-helixtrans-72.1-20.9179.6-69-14.7000113.2I236 K237 E238 L242 R247I236-D240 WeakPolarHBondContact O-CB 3.45Å; I236-D240 VanDerWaalsContact O-CG 3.24Å; I236-D240 PolarHBondContact O-N 2.71Å; K237-D240 PolarHBondContact O-N 3.08Å; E238-D240 VanDerWaalsContact C-N 3.32Å; E238-D240 PolarHBondContact O-N 2.98Å; D240-L242 VanDerWaalsContact C-N 3.34Å; D240-R247 PolarHBondContact O-NE 3.13Å; D240-R247 PolarHBondContact O-NH2 2.8Å; D240-R247 IonicContact OD1-NH1 2.83Å
241A95.9Very high93Very high71 Ų7160.2 Ų60.259%0.58729%0.291SS*.THydrogen-bonded Turntrans-81.4-8.8173.900000113.7K237 E238 R239 Q243K237-A241 WeakPolarHBondContact O-CB 3.38Å; K237-A241 PolarHBondContact O-N 3.41Å; K237-A241 VanDerWaalsContact O-N 3.08Å; E238-A241 PolarHBondContact O-N 2.86Å; R239-A241 VanDerWaalsContact C-N 3.26Å; R239-A241 PolarHBondContact O-N 3.37Å; A241-Q243 PolarHBondContact O-N 2.96Å
242L94.8Very high93Very high20 Ų2060.1 Ų60.111%0.10529%0.29CS..  trans-63.8131175.5-62.3176.4000110.4V197 P202 E238 R239 D240 E244 P248V197-L242 HydrophobicContact CG1-CD1 4.32Å; P202-L242 HydrophobicContact CG-CD2 4.32Å; E238-L242 PolarHBondContact O-N 3.47Å; R239-L242 WeakPolarHBondContact O-CB 3.38Å; R239-L242 WeakPolarHBondContact O-CG 3.22Å; R239-L242 PolarHBondContact O-N 2.88Å; D240-L242 VanDerWaalsContact C-N 3.34Å; L242-E244 HydrophobicContact CB-CG 4.37Å; L242-E244 PolarHBondContact O-N 2.91Å; L242-P248 HydrophobicContact CD1-CG 4.45Å
243Q84.6Confident93Very high195 Ų19560.6 Ų60.691%0.91129%0.292SS*.  trans-80.837.3179.4-64-171.1-26.300112.8A241A241-Q243 PolarHBondContact O-N 2.96Å
244E74.1Confident93Very high91 Ų9154.8 Ų54.843%0.42527%0.27SS..  trans-101.4144.4-175.7-65.1-58.3147.100111.6P202 L242 R246P202-E244 HydrophobicContact CB-CG 4.09Å; P202-E244 HydrophobicContact CG-CG 4.26Å; L242-E244 HydrophobicContact CB-CG 4.37Å; L242-E244 PolarHBondContact O-N 2.91Å; E244-R246 PolarHBondContact O-N 2.93Å
245V67.6Low93Very high159 Ų15953.4 Ų53.496%0.96426%0.262SS*.SBendtrans-59.9-31.1174.61790000110.7
246R72.5Confident93Very high135 Ų13553.4 Ų53.451%0.50926%0.262SS..SBendtrans-128.5116.3177.8-166.1178-176.81628.4110.7G83 E244G83-R246 PolarHBondContact O-NH2 3.31Å; E244-R246 PolarHBondContact O-N 2.93Å
247R90.8Very high93Very high126 Ų12654.8 Ų54.848%0.47527%0.269SS..PPolyproline II helixtrans-81.5128.4175.9-72.4178.2-171.6173.75.3110D240D240-R247 PolarHBondContact O-NE 3.13Å; D240-R247 PolarHBondContact O-NH2 2.8Å; D240-R247 IonicContact OD1-NH1 2.83Å
248P97.2Very high93Very high4 Ų448.6 Ų48.63%0.02624%0.243CC..PPolyproline II helixtrans-70.1133.4-179.627.7-34.4000110.4A204 L207 R239 L242A204-P248 HydrophobicContact CB-CB 4.37Å; L207-P248 HydrophobicContact CD1-CG 3.9Å; L207-P248 HydrophobicContact CG-CB 4.24Å; L207-P248 HydrophobicContact CG-CG 3.98Å; R239-P248 WeakPolarHBondContact CD-O 3.44Å; R239-P248 HydrophobicContact CG-CG 4.22Å; R239-P248 WeakPolarHBondContact CG-O 3.41Å; R239-P248 PolarHBondContact NH1-O 3.2Å; L242-P248 HydrophobicContact CD1-CG 4.45Å
249P98.3Very high93Very high7 Ų749.1 Ų49.15%0.04525%0.252CS..PPolyproline II helixtrans-52.5140.9166.619.6-35.2000111.9F82 L84 D205 Y206 L207 L251 D276F82-P249 HydrophobicContact CB-CB 3.9Å; F82-P249 HydrophobicContact CB-CG 3.7Å; L84-P249 HydrophobicContact CD1-CG 4.11Å; D205-P249 WeakPolarHBondContact O-CD 3.19Å; Y206-P249 WeakPolarHBondContact CA-O 3.33Å; L207-P249 PolarHBondContact N-O 3.38Å; P249-L251 HydrophobicContact CB-CD1 4.12Å; P249-D276 VanDerWaalsContact CA-OD2 3.24Å; P249-D276 WeakPolarHBondContact CA-OD2 3.27Å; P249-D276 HydrophobicContact CB-CB 3.48Å; P249-D276 VanDerWaalsContact CB-CB 3.48Å
250V98.8Very high93Very high0 Ų052 Ų520%028%0.281CS..EExtended strand (participates in β ladder)trans-104.7119.3178.1178.20000109.3V209 V235 R239 V275 D276V209-V250 HydrophobicContact CG2-CG1 3.89Å; V235-V250 HydrophobicContact CG1-CG1 3.75Å; V235-V250 HydrophobicContact CG1-CG2 4.26Å; R239-V250 HydrophobicContact CB-CG2 4.09Å; R239-V250 HydrophobicContact CG-CG2 3.77Å; V250-V275 VanDerWaalsContact O-CG1 3.32Å; V250-V275 WeakPolarHBondContact O-CG1 3.44Å; V250-D276 PolarHBondContact N-OD2 3.48Å; V250-D276 PolarHBondContact O-N 3.48Å; V250-D276 VanDerWaalsContact O-N 3.08Å
251L98.9Very high93.1Very high0 Ų054.5 Ų54.50%029%0.291CS..EExtended strand (participates in β ladder)trans-108.4153.2176.5-74.867.3000110.6F82 Y206 L207 V208 V209 P249 G277 M279 I329F82-L251 HydrophobicContact CD1-CD1 4.42Å; F82-L251 HydrophobicContact CE1-CD1 4.4Å; F82-L251 HydrophobicContact CE1-CD2 4.32Å; F82-L251 HydrophobicContact CE1-CG 4.42Å; F82-L251 HydrophobicContact CE2-CD2 4.05Å; F82-L251 HydrophobicContact CZ-CD2 3.81Å; F82-L251 HydrophobicContact CZ-CG 4.39Å; Y206-L251 HydrophobicContact CD2-CD1 4.23Å; Y206-L251 HydrophobicContact CD2-CD2 4.24Å; Y206-L251 HydrophobicContact CE2-CD2 4.46Å; L207-L251 PolarHBondContact O-N 3.33Å; V208-L251 CarbonylContact C-O 3.52Å; V208-L251 WeakPolarHBondContact CA-O 3.5Å; V208-L251 HydrophobicContact CG2-CB 4.45Å; V209-L251 PolarHBondContact N-O 3.09Å; P249-L251 HydrophobicContact CB-CD1 4.12Å; L251-G277 VanDerWaalsContact CA-O 3.25Å; L251-G277 WeakPolarHBondContact CA-O 3.44Å; L251-M279 HydrophobicContact CB-CG 4.12Å; L251-M279 HydrophobicContact CD2-CG 3.94Å; L251-I329 HydrophobicContact CD2-CD1 3.56Å; L251-I329 HydrophobicContact CD2-CG1 4.04Å
252V98.8Very high93.3Very high0 Ų053.9 Ų53.90%028%0.278CS..EExtended strand (participates in β ladder)trans-115.6127.9175.3-177.40000110.2V209 V211 L228 L232 I254 V275 G277 L278 M279V209-V252 HydrophobicContact CB-CG2 4.49Å; V211-V252 HydrophobicContact CG2-CG1 3.91Å; L228-V252 HydrophobicContact CD1-CG1 4.25Å; L232-V252 HydrophobicContact CD1-CG2 3.8Å; L232-V252 HydrophobicContact CD2-CG2 3.31Å; L232-V252 HydrophobicContact CG-CG2 4.19Å; V252-I254 HydrophobicContact CG1-CG2 4.17Å; V252-V275 HydrophobicContact CG2-CG1 3.84Å; V252-G277 PolarHBondContact N-O 3.06Å; V252-G277 VanDerWaalsContact N-O 3.09Å; V252-L278 HydrophobicContact CB-CD2 4.28Å; V252-M279 PolarHBondContact O-N 2.7Å
253K98.9Very high93.4Very high9 Ų953.8 Ų53.84%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-98.3117178.3-169.9168.8-168.4162.60111.1E115 V208 V209 S212 M279E115-K253 IonicContact OE1-NZ 3.23Å; V208-K253 HydrophobicContact CG1-CB 3.72Å; V208-K253 HydrophobicContact CG1-CD 4.5Å; V209-K253 PolarHBondContact O-N 3.14Å; S212-K253 VanDerWaalsContact CB-O 3.22Å; S212-K253 WeakPolarHBondContact CB-O 3.39Å; S212-K253 VanDerWaalsContact OG-C 3.31Å; S212-K253 PolarHBondContact OG-O 3.27Å; K253-M279 HydrophobicContact CB-CB 3.91Å; K253-M279 HydrophobicContact CB-CG 4.49Å; K253-M279 HydrophobicContact CB-SD 4.45Å; K253-M279 HydrophobicContact CD-CB 4.42Å; K253-M279 HydrophobicContact CD-SD 4.38Å; K253-M279 HydrophobicContact CG-CB 3.86Å
254I98.8Very high94.1Very high0 Ų047.8 Ų47.80%025%0.248CC..EExtended strand (participates in β ladder)trans-105.4156.6-172.866.5172.2000112.5V252 L258 I266 L278 M279 V280 N282 T314 M318V252-I254 HydrophobicContact CG1-CG2 4.17Å; I254-L258 HydrophobicContact CB-CD1 4.24Å; I254-L258 HydrophobicContact CD1-CD1 4.23Å; I254-I266 HydrophobicContact CG2-CD1 4.29Å; I254-I266 HydrophobicContact CG2-CG2 4.17Å; I254-L278 HydrophobicContact CG2-CD2 4.29Å; I254-M279 PolarHBondContact N-O 3.01Å; I254-M279 VanDerWaalsContact N-O 3.12Å; I254-V280 HydrophobicContact CD1-CG1 4.39Å; I254-V280 HydrophobicContact CD1-CG2 3.87Å; I254-V280 HydrophobicContact CG1-CG2 4.05Å; I254-N282 PolarHBondContact O-N 3.42Å; I254-T314 HydrophobicContact CD1-CG2 4.27Å; I254-M318 HydrophobicContact CD1-CE 4.47Å; I254-M318 HydrophobicContact CD1-CG 3.83Å; I254-M318 HydrophobicContact CD1-SD 4.18Å
255A98.3Very high95.3Very high1 Ų144.6 Ų44.61%0.00823%0.234CC..  trans-76.8153.1173.600000110.3D257 L258A255-D257 VanDerWaalsContact C-N 3.27Å; A255-L258 HydrophobicContact CB-CG 4.5Å; A255-L258 WeakPolarHBondContact O-CD1 3.39Å; A255-L258 WeakPolarHBondContact O-CG 3.46Å
256P98.1Very high96.8Very high2 Ų237 Ų371%0.01319%0.188CC..SBendtrans-76.6-20168.329.8-31.7000112.4L258 S281 N282 T283 L307 L310P256-L258 VanDerWaalsContact C-N 3.26Å; P256-L258 PolarHBondContact O-N 2.95Å; P256-S281 WeakPolarHBondContact CB-OG 3.35Å; P256-N282 WeakPolarHBondContact CD-O 3.4Å; P256-T283 WeakPolarHBondContact CD-O 3.38Å; P256-L307 HydrophobicContact CB-CD1 4.15Å; P256-L307 HydrophobicContact CG-CD1 3.92Å; P256-L310 HydrophobicContact CB-CD2 3.83Å; P256-L310 HydrophobicContact CB-CG 3.9Å; P256-L310 HydrophobicContact CG-CD2 4.36Å
257D97.4Very high98Very high51 Ų5130.6 Ų30.627%0.27316%0.164SC..  trans-86.158-173-46.9-56.2000111.3R220 A255 T284 V285R220-D257 IonicContact CZ-OD2 3.4Å; R220-D257 IonicContact NH1-OD2 3.45Å; R220-D257 PolarHBondContact NH1-OD2 2.83Å; R220-D257 IonicContact NH2-OD2 3.29Å; R220-D257 PolarHBondContact NH2-OD2 2.84Å; A255-D257 VanDerWaalsContact C-N 3.27Å; D257-T284 WeakPolarHBondContact OD1-CB 3.4Å; D257-T284 PolarHBondContact OD1-OG1 2.85Å; D257-T284 WeakPolarHBondContact OD2-CA 3.38Å; D257-V285 HydrophobicContact CB-CG2 4.37Å; D257-V285 PolarHBondContact OD1-N 3.5Å; D257-V285 PolarHBondContact OD2-N 3.21Å
258L97.4Very high98.4Very high21 Ų2127.5 Ų27.511%0.1116%0.157CC..  trans-120.1140.5-174.9-65.6173.4000110.9I254 A255 P256 D262 K263 I266I254-L258 HydrophobicContact CB-CD1 4.24Å; I254-L258 HydrophobicContact CD1-CD1 4.23Å; A255-L258 HydrophobicContact CB-CG 4.5Å; A255-L258 WeakPolarHBondContact O-CD1 3.39Å; A255-L258 WeakPolarHBondContact O-CG 3.46Å; P256-L258 VanDerWaalsContact C-N 3.26Å; P256-L258 PolarHBondContact O-N 2.95Å; L258-D262 HydrophobicContact CB-CB 4.1Å; L258-D262 HydrophobicContact CD2-CB 3.98Å; L258-K263 HydrophobicContact CB-CG 3.9Å; L258-K263 HydrophobicContact CD1-CG 4.31Å; L258-K263 WeakPolarHBondContact O-CE 3.27Å; L258-I266 HydrophobicContact CD1-CD1 3.5Å; L258-I266 VanDerWaalsContact CD1-CD1 3.5Å; L258-I266 HydrophobicContact CD2-CD1 4.33Å
259S98.2Very high98.5Very high57 Ų5727.3 Ų27.340%0.39916%0.156SC..  trans-68.6168170.374.80000111Q261 D262 K263S259-Q261 PolarHBondContact O-N 2.93Å; S259-Q261 PolarHBondContact OG-N 3.49Å; S259-D262 VanDerWaalsContact CB-OD2 3.27Å; S259-D262 WeakPolarHBondContact CB-OD2 3.47Å; S259-D262 PolarHBondContact N-OD2 3.39Å; S259-D262 PolarHBondContact O-N 3.42Å; S259-D262 PolarHBondContact OG-N 3.26Å; S259-D262 VanDerWaalsContact OG-N 3.11Å; S259-D262 PolarHBondContact OG-OD2 3.43Å; S259-K263 WeakPolarHBondContact O-CG 3.27Å; S259-K263 PolarHBondContact O-N 3.09Å; S259-K263 VanDerWaalsContact O-N 3.14Å
260A98.3Very high98.5Very high84 Ų8427 Ų2769%0.69415%0.154SC*.Hα-helixtrans-60.9-37.417400000111.8K263 Q264A260-K263 PolarHBondContact O-N 3.28Å; A260-Q264 PolarHBondContact O-N 2.89Å
261Q98.3Very high98.4Very high112 Ų11230.5 Ų30.552%0.52318%0.175SC..Hα-helixtrans-67.8-43.5177.9-17358.749.200111.5S259 K263 Q264 D265S259-Q261 PolarHBondContact O-N 2.93Å; S259-Q261 PolarHBondContact OG-N 3.49Å; Q261-K263 VanDerWaalsContact C-N 3.28Å; Q261-K263 PolarHBondContact O-N 3.43Å; Q261-Q264 PolarHBondContact O-N 3.11Å; Q261-D265 PolarHBondContact NE2-OD1 3Å; Q261-D265 VanDerWaalsContact NE2-OD1 3.07Å; Q261-D265 PolarHBondContact NE2-OD2 2.63Å; Q261-D265 WeakPolarHBondContact O-CB 3.13Å; Q261-D265 PolarHBondContact O-N 2.99Å
262D98.4Very high98.4Very high58 Ų5834.9 Ų34.931%0.3120%0.196SC..Hα-helixtrans-60.4-40.8177.3-57.7-45.9000111.3L258 S259 D265 I266L258-D262 HydrophobicContact CB-CB 4.1Å; L258-D262 HydrophobicContact CD2-CB 3.98Å; S259-D262 VanDerWaalsContact CB-OD2 3.27Å; S259-D262 WeakPolarHBondContact CB-OD2 3.47Å; S259-D262 PolarHBondContact N-OD2 3.39Å; S259-D262 PolarHBondContact O-N 3.42Å; S259-D262 PolarHBondContact OG-N 3.26Å; S259-D262 VanDerWaalsContact OG-N 3.11Å; S259-D262 PolarHBondContact OG-OD2 3.43Å; D262-D265 PolarHBondContact O-N 2.79Å; D262-I266 WeakPolarHBondContact O-CB 3.39Å; D262-I266 WeakPolarHBondContact O-CD1 3.41Å; D262-I266 WeakPolarHBondContact O-CG1 3.27Å; D262-I266 PolarHBondContact O-N 2.93Å
263K98.8Very high98.3Very high18 Ų1836.4 Ų36.48%0.07820%0.204CC..Hα-helixtrans-63.5-43.8176.5-70.1171-170.6170.10111.7L258 S259 A260 Q261 A267 E317 M318 L321L258-K263 HydrophobicContact CB-CG 3.9Å; L258-K263 HydrophobicContact CD1-CG 4.31Å; L258-K263 WeakPolarHBondContact O-CE 3.27Å; S259-K263 WeakPolarHBondContact O-CG 3.27Å; S259-K263 PolarHBondContact O-N 3.09Å; S259-K263 VanDerWaalsContact O-N 3.14Å; A260-K263 PolarHBondContact O-N 3.28Å; Q261-K263 VanDerWaalsContact C-N 3.28Å; Q261-K263 PolarHBondContact O-N 3.43Å; K263-A267 WeakPolarHBondContact O-CB 3.35Å; K263-A267 PolarHBondContact O-N 3.36Å; K263-E317 WeakPolarHBondContact CD-OE2 3.32Å; K263-E317 WeakPolarHBondContact CE-OE2 3.23Å; K263-E317 IonicContact NZ-OE2 3.37Å; K263-E317 PolarHBondContact NZ-OE2 3.08Å; K263-M318 HydrophobicContact CB-SD 3.78Å; K263-M318 HydrophobicContact CG-SD 4.01Å; K263-L321 HydrophobicContact CB-CD1 3.71Å
264Q98.7Very high98.2Very high68 Ų6838.3 Ų38.332%0.31823%0.225SC..Hα-helixtrans-61.6-46.2175.1-178.666.267.900110.9A260 Q261 I266 A267 D268A260-Q264 PolarHBondContact O-N 2.89Å; Q261-Q264 PolarHBondContact O-N 3.11Å; Q264-I266 PolarHBondContact O-N 3.06Å; Q264-A267 WeakPolarHBondContact O-CB 3.43Å; Q264-A267 PolarHBondContact O-N 2.68Å; Q264-A267 VanDerWaalsContact O-N 3.17Å; Q264-D268 PolarHBondContact NE2-OD1 2.83Å; Q264-D268 VanDerWaalsContact O-CG 3.26Å; Q264-D268 PolarHBondContact O-N 3.12Å
265D98.6Very high98.2Very high24 Ų2438.6 Ų38.613%0.12823%0.227CC..Hα-helixtrans-63.7-41.4-179.7-75.5-23000112.3K225 Q261 D262 D268 V269K225-D265 HydrophobicContact CB-CB 3.91Å; K225-D265 HydrophobicContact CD-CB 4.07Å; K225-D265 WeakPolarHBondContact CD-OD1 3.3Å; K225-D265 WeakPolarHBondContact CE-OD1 3.22Å; K225-D265 HydrophobicContact CG-CB 3.95Å; K225-D265 IonicContact NZ-OD1 2.78Å; K225-D265 PolarHBondContact NZ-OD1 2.84Å; Q261-D265 PolarHBondContact NE2-OD1 3Å; Q261-D265 VanDerWaalsContact NE2-OD1 3.07Å; Q261-D265 PolarHBondContact NE2-OD2 2.63Å; Q261-D265 WeakPolarHBondContact O-CB 3.13Å; Q261-D265 PolarHBondContact O-N 2.99Å; D262-D265 PolarHBondContact O-N 2.79Å; D265-D268 PolarHBondContact O-N 3.17Å; D265-V269 VanDerWaalsContact O-CG2 3.27Å; D265-V269 WeakPolarHBondContact O-CG2 3.31Å; D265-V269 PolarHBondContact O-N 2.95Å
266I98.8Very high98.2Very high0 Ų041 Ų410%024%0.24CC..Hα-helixtrans-60.3-49.4171.7-70.5160.5000110Q223 L228 I254 L258 D262 Q264 D268 V269 V270 L278 M318Q223-I266 HydrophobicContact CB-CD1 4.39Å; L228-I266 HydrophobicContact CD2-CB 4.25Å; L228-I266 HydrophobicContact CD2-CG1 3.74Å; L228-I266 HydrophobicContact CD2-CG2 4.28Å; I254-I266 HydrophobicContact CG2-CD1 4.29Å; I254-I266 HydrophobicContact CG2-CG2 4.17Å; L258-I266 HydrophobicContact CD1-CD1 3.5Å; L258-I266 VanDerWaalsContact CD1-CD1 3.5Å; L258-I266 HydrophobicContact CD2-CD1 4.33Å; D262-I266 WeakPolarHBondContact O-CB 3.39Å; D262-I266 WeakPolarHBondContact O-CD1 3.41Å; D262-I266 WeakPolarHBondContact O-CG1 3.27Å; D262-I266 PolarHBondContact O-N 2.93Å; Q264-I266 PolarHBondContact O-N 3.06Å; I266-D268 VanDerWaalsContact C-N 3.32Å; I266-D268 PolarHBondContact O-N 2.89Å; I266-V269 PolarHBondContact O-N 3.18Å; I266-V270 HydrophobicContact CG2-CG1 4.22Å; I266-V270 WeakPolarHBondContact O-CG1 3.36Å; I266-V270 WeakPolarHBondContact O-CG2 3.4Å; I266-V270 PolarHBondContact O-N 3.45Å; I266-L278 HydrophobicContact CG2-CD2 4.35Å; I266-M318 HydrophobicContact CB-CE 4.25Å; I266-M318 HydrophobicContact CG2-CE 3.76Å
267A98.8Very high98.2Very high1 Ų141 Ų411%0.00824%0.24CC..Hα-helixtrans-59.3-41.9-179.200000112.4K263 Q264 V270 T271 M318 L321 T322K263-A267 WeakPolarHBondContact O-CB 3.35Å; K263-A267 PolarHBondContact O-N 3.36Å; Q264-A267 WeakPolarHBondContact O-CB 3.43Å; Q264-A267 PolarHBondContact O-N 2.68Å; Q264-A267 VanDerWaalsContact O-N 3.17Å; A267-V270 WeakPolarHBondContact O-CG2 3.12Å; A267-T271 VanDerWaalsContact O-CB 3.31Å; A267-T271 WeakPolarHBondContact O-CB 3.26Å; A267-T271 PolarHBondContact O-N 2.92Å; A267-T271 VanDerWaalsContact O-N 3.11Å; A267-T271 PolarHBondContact O-OG1 2.89Å; A267-M318 HydrophobicContact CB-CE 3.98Å; A267-L321 HydrophobicContact CB-CB 3.51Å; A267-L321 HydrophobicContact CB-CD1 4.41Å; A267-T322 HydrophobicContact CB-CG2 4.05Å
268D98.6Very high98.3Very high61 Ų6138.5 Ų38.533%0.32623%0.227SC..Hα-helixtrans-59.8-51174.5-70-8.3000110.5K225 Q264 D265 I266 T271 E272K225-D268 IonicContact NZ-OD2 3.92Å; K225-D268 PolarHBondContact NZ-OD2 3.2Å; Q264-D268 PolarHBondContact NE2-OD1 2.83Å; Q264-D268 VanDerWaalsContact O-CG 3.26Å; Q264-D268 PolarHBondContact O-N 3.12Å; D265-D268 PolarHBondContact O-N 3.17Å; I266-D268 VanDerWaalsContact C-N 3.32Å; I266-D268 PolarHBondContact O-N 2.89Å; D268-T271 PolarHBondContact O-N 3.37Å; D268-E272 WeakPolarHBondContact O-CB 3.44Å; D268-E272 PolarHBondContact O-N 3.44Å
269V98.7Very high98.4Very high0 Ų037.5 Ų37.50%022%0.221CC..Hα-helixtrans-65.5-44.8-176.2170.60000111.6K225 L228 R229 L232 D265 I266 T271 E272 L273K225-V269 HydrophobicContact CG-CG2 3.8Å; L228-V269 HydrophobicContact CD2-CB 4.47Å; L228-V269 HydrophobicContact CD2-CG1 4.31Å; L228-V269 HydrophobicContact CG-CG1 4.14Å; R229-V269 HydrophobicContact CB-CG1 3.95Å; R229-V269 HydrophobicContact CB-CG2 4.14Å; L232-V269 HydrophobicContact CD1-CG1 4.09Å; D265-V269 VanDerWaalsContact O-CG2 3.27Å; D265-V269 WeakPolarHBondContact O-CG2 3.31Å; D265-V269 PolarHBondContact O-N 2.95Å; I266-V269 PolarHBondContact O-N 3.18Å; V269-T271 VanDerWaalsContact C-N 3.28Å; V269-T271 PolarHBondContact O-N 2.83Å; V269-E272 PolarHBondContact O-N 3.34Å; V269-L273 HydrophobicContact CG1-CD1 3.87Å; V269-L273 HydrophobicContact CG1-CG 4.4Å; V269-L273 WeakPolarHBondContact O-CB 3.48Å; V269-L273 WeakPolarHBondContact O-CG 3.48Å; V269-L273 PolarHBondContact O-N 2.89Å
270V98.3Very high98.4Very high0 Ų034.8 Ų34.80%020%0.202CC..Hα-helixtrans-66.4-33.6179.9-610000111.9L232 I266 A267 G274 V275 L278 T322 V326L232-V270 HydrophobicContact CD1-CG1 4.48Å; I266-V270 HydrophobicContact CG2-CG1 4.22Å; I266-V270 WeakPolarHBondContact O-CG1 3.36Å; I266-V270 WeakPolarHBondContact O-CG2 3.4Å; I266-V270 PolarHBondContact O-N 3.45Å; A267-V270 WeakPolarHBondContact O-CG2 3.12Å; V270-G274 PolarHBondContact O-N 3.46Å; V270-V275 HydrophobicContact CB-CB 3.87Å; V270-V275 HydrophobicContact CB-CG1 4.42Å; V270-V275 HydrophobicContact CB-CG2 4.02Å; V270-V275 HydrophobicContact CG1-CB 4.2Å; V270-V275 HydrophobicContact CG1-CG1 4.34Å; V270-V275 HydrophobicContact CG1-CG2 4.09Å; V270-V275 PolarHBondContact O-N 3.04Å; V270-L278 HydrophobicContact CG1-CD2 3.97Å; V270-L278 HydrophobicContact CG2-CD1 4.42Å; V270-T322 HydrophobicContact CG2-CG2 4.15Å; V270-V326 HydrophobicContact CG2-CG2 4.32Å
271T97.9Very high98.4Very high73 Ų7330.9 Ų30.945%0.44817%0.17SC..Hα-helixtrans-73.7-44.3175.5-54.10000111.4A267 D268 V269 L273 G274A267-T271 VanDerWaalsContact O-CB 3.31Å; A267-T271 WeakPolarHBondContact O-CB 3.26Å; A267-T271 PolarHBondContact O-N 2.92Å; A267-T271 VanDerWaalsContact O-N 3.11Å; A267-T271 PolarHBondContact O-OG1 2.89Å; D268-T271 PolarHBondContact O-N 3.37Å; V269-T271 VanDerWaalsContact C-N 3.28Å; V269-T271 PolarHBondContact O-N 2.83Å; T271-L273 VanDerWaalsContact C-N 3.32Å; T271-L273 PolarHBondContact O-N 2.75Å; T271-G274 PolarHBondContact O-N 3.33Å
272E97.9Very high98.4Very high93 Ų9326.7 Ų26.744%0.43515%0.151SC..Hα-helixtrans-56.7-45.4177.7-178.7-162.2140.500111.4R229 R233 D268 V269R229-E272 IonicContact CZ-OE2 3.53Å; R229-E272 VanDerWaalsContact CZ-OE2 3.3Å; R229-E272 IonicContact NE-OE1 2.88Å; R229-E272 PolarHBondContact NE-OE1 3.04Å; R229-E272 IonicContact NE-OE2 2.72Å; R229-E272 PolarHBondContact NE-OE2 3.48Å; R229-E272 IonicContact NH2-OE2 3.41Å; R229-E272 PolarHBondContact NH2-OE2 2.95Å; R233-E272 IonicContact CZ-OE1 3.3Å; R233-E272 IonicContact NH2-OE1 2.82Å; R233-E272 PolarHBondContact NH2-OE1 2.82Å; D268-E272 WeakPolarHBondContact O-CB 3.44Å; D268-E272 PolarHBondContact O-N 3.44Å; V269-E272 PolarHBondContact O-N 3.34Å
273L98.1Very high98.4Very high32 Ų3224.7 Ų24.717%0.16814%0.141CC..THydrogen-bonded Turntrans-90-5.1-174-59.2-177.4000114R229 L232 R233 I236 V269 T271 V275R229-L273 HydrophobicContact CG-CD1 4.24Å; L232-L273 HydrophobicContact CB-CD1 3.64Å; R233-L273 HydrophobicContact CG-CD1 3.86Å; R233-L273 HydrophobicContact CG-CD2 3.51Å; R233-L273 HydrophobicContact CG-CG 4.34Å; I236-L273 HydrophobicContact CD1-CB 4.03Å; V269-L273 HydrophobicContact CG1-CD1 3.87Å; V269-L273 HydrophobicContact CG1-CG 4.4Å; V269-L273 WeakPolarHBondContact O-CB 3.48Å; V269-L273 WeakPolarHBondContact O-CG 3.48Å; V269-L273 PolarHBondContact O-N 2.89Å; T271-L273 VanDerWaalsContact C-N 3.32Å; T271-L273 PolarHBondContact O-N 2.75Å; L273-V275 HydrophobicContact CB-CG2 4.34Å
274G96.7Very high98.4Very high48 Ų4823.9 Ų23.950%0.49514%0.137SC..THydrogen-bonded Turntrans63.841.9-176.300000112.9V270 T271 D276V270-G274 PolarHBondContact O-N 3.46Å; T271-G274 PolarHBondContact O-N 3.33Å; G274-D276 PolarHBondContact O-N 3.08Å
275V97.8Very high98.4Very high6 Ų624.1 Ų24.14%0.03614%0.144CC..  trans-63.1134.2173.1174.30000109.1L232 I236 V250 V252 V270 L273 G277L232-V275 HydrophobicContact CD1-CG2 3.89Å; I236-V275 HydrophobicContact CD1-CG2 4.19Å; V250-V275 VanDerWaalsContact O-CG1 3.32Å; V250-V275 WeakPolarHBondContact O-CG1 3.44Å; V252-V275 HydrophobicContact CG2-CG1 3.84Å; V270-V275 HydrophobicContact CB-CB 3.87Å; V270-V275 HydrophobicContact CB-CG1 4.42Å; V270-V275 HydrophobicContact CB-CG2 4.02Å; V270-V275 HydrophobicContact CG1-CB 4.2Å; V270-V275 HydrophobicContact CG1-CG1 4.34Å; V270-V275 HydrophobicContact CG1-CG2 4.09Å; V270-V275 PolarHBondContact O-N 3.04Å; L273-V275 HydrophobicContact CB-CG2 4.34Å; V275-G277 VanDerWaalsContact C-N 3.28Å; V275-G277 WeakPolarHBondContact CG1-O 3.44Å; V275-G277 PolarHBondContact O-N 3.18Å
276D98.6Very high98.4Very high53 Ų5325.2 Ų25.228%0.28315%0.153SC..  trans-71.3-22.2-169.4-60.7-75000113.3F82 R239 P249 V250 G274 P327F82-D276 WeakPolarHBondContact CD1-O 3.35Å; F82-D276 VanDerWaalsContact CE1-O 3.23Å; F82-D276 WeakPolarHBondContact CE1-O 3.35Å; R239-D276 IonicContact CZ-OD2 3.78Å; R239-D276 IonicContact NH1-OD2 2.77Å; R239-D276 PolarHBondContact NH1-OD2 3.26Å; R239-D276 IonicContact NH2-OD2 3.27Å; P249-D276 VanDerWaalsContact CA-OD2 3.24Å; P249-D276 WeakPolarHBondContact CA-OD2 3.27Å; P249-D276 HydrophobicContact CB-CB 3.48Å; P249-D276 VanDerWaalsContact CB-CB 3.48Å; V250-D276 PolarHBondContact N-OD2 3.48Å; V250-D276 PolarHBondContact O-N 3.48Å; V250-D276 VanDerWaalsContact O-N 3.08Å; G274-D276 PolarHBondContact O-N 3.08Å; D276-P327 WeakPolarHBondContact O-CD 3.43Å
277G98.8Very high98.3Very high0 Ų028.8 Ų28.80%017%0.167CC..EExtended strand (participates in β ladder)trans-176.4174.1175.300000116.1L251 V252 V275 P327L251-G277 VanDerWaalsContact CA-O 3.25Å; L251-G277 WeakPolarHBondContact CA-O 3.44Å; V252-G277 PolarHBondContact N-O 3.06Å; V252-G277 VanDerWaalsContact N-O 3.09Å; V275-G277 VanDerWaalsContact C-N 3.28Å; V275-G277 WeakPolarHBondContact CG1-O 3.44Å; V275-G277 PolarHBondContact O-N 3.18Å; G277-P327 VanDerWaalsContact CA-O 3.24Å; G277-P327 WeakPolarHBondContact CA-O 3.33Å
278L98.9Very high98.2Very high0 Ų030.7 Ų30.70%018%0.179CC..EExtended strand (participates in β ladder)trans-118.6148.1176.6-74.7171.9000111.4V252 I254 I266 V270 V280 M318 T322 V326 P327 I328 I329V252-L278 HydrophobicContact CB-CD2 4.28Å; I254-L278 HydrophobicContact CG2-CD2 4.29Å; I266-L278 HydrophobicContact CG2-CD2 4.35Å; V270-L278 HydrophobicContact CG1-CD2 3.97Å; V270-L278 HydrophobicContact CG2-CD1 4.42Å; L278-V280 HydrophobicContact CB-CG2 4.03Å; L278-M318 HydrophobicContact CD1-CB 4.17Å; L278-M318 HydrophobicContact CD1-CE 3.65Å; L278-T322 HydrophobicContact CD1-CG2 4.3Å; L278-V326 HydrophobicContact CD1-CG1 4.31Å; L278-V326 HydrophobicContact CG-CG1 4.02Å; L278-P327 PolarHBondContact N-O 3.41Å; L278-I328 HydrophobicContact CB-CG1 4.22Å; L278-I328 CarbonylContact O-C 3.52Å; L278-I328 WeakPolarHBondContact O-CA 2.98Å; L278-I329 PolarHBondContact O-N 2.95Å
279M98.8Very high98Very high0 Ų036.8 Ų36.80%021%0.205CC..EExtended strand (participates in β ladder)trans-116115.8169.1-53.5-164.983.100110.2E115 V208 L251 V252 K253 I254 I329 I331 Q352E115-M279 WeakPolarHBondContact OE2-CE 3.48Å; E115-M279 VanDerWaalsContact OE2-SD 3.38Å; V208-M279 HydrophobicContact CB-SD 4.07Å; V208-M279 HydrophobicContact CG1-CG 4.32Å; V208-M279 HydrophobicContact CG1-SD 3.42Å; V208-M279 WeakPolarHBondContact CG1-SD 3.35Å; V208-M279 HydrophobicContact CG2-SD 3.43Å; V208-M279 WeakPolarHBondContact CG2-SD 3.37Å; L251-M279 HydrophobicContact CB-CG 4.12Å; L251-M279 HydrophobicContact CD2-CG 3.94Å; V252-M279 PolarHBondContact O-N 2.7Å; K253-M279 HydrophobicContact CB-CB 3.91Å; K253-M279 HydrophobicContact CB-CG 4.49Å; K253-M279 HydrophobicContact CB-SD 4.45Å; K253-M279 HydrophobicContact CD-CB 4.42Å; K253-M279 HydrophobicContact CD-SD 4.38Å; K253-M279 HydrophobicContact CG-CB 3.86Å; I254-M279 PolarHBondContact N-O 3.01Å; I254-M279 VanDerWaalsContact N-O 3.12Å; M279-I329 WeakPolarHBondContact CA-O 3.49Å; M279-I329 HydrophobicContact CE-CB 4.01Å; M279-I329 HydrophobicContact CE-CD1 3.83Å; M279-I329 HydrophobicContact CE-CG1 4.45Å; M279-I329 HydrophobicContact CE-CG2 3.88Å; M279-I329 HydrophobicContact CG-CB 4.36Å; M279-I331 HydrophobicContact CB-CD1 3.92Å; M279-I331 HydrophobicContact CE-CD1 3.69Å; M279-Q352 VanDerWaalsContact CE-OE1 3.32Å
280V98.9Very high97.8Very high0 Ų042 Ų420%024%0.238CC..EExtended strand (participates in β ladder)trans-129.699.8-166-173.10000109.7I254 L278 T314 V315 M318 I328 I329 G330 I331I254-V280 HydrophobicContact CD1-CG1 4.39Å; I254-V280 HydrophobicContact CD1-CG2 3.87Å; I254-V280 HydrophobicContact CG1-CG2 4.05Å; L278-V280 HydrophobicContact CB-CG2 4.03Å; V280-T314 HydrophobicContact CG1-CG2 3.47Å; V280-T314 VanDerWaalsContact CG1-CG2 3.47Å; V280-V315 HydrophobicContact CB-CG2 3.84Å; V280-V315 HydrophobicContact CG1-CB 4.47Å; V280-V315 HydrophobicContact CG1-CG2 3.77Å; V280-M318 HydrophobicContact CG2-CG 4.43Å; V280-I328 HydrophobicContact CB-CG2 4.01Å; V280-I328 HydrophobicContact CG2-CG2 3.83Å; V280-I329 PolarHBondContact N-O 3.46Å; V280-G330 CarbonylContact O-C 3.59Å; V280-G330 WeakPolarHBondContact O-CA 3.3Å; V280-I331 CarbonylContact C-O 3.59Å; V280-I331 PolarHBondContact O-N 3.07Å
281S98.5Very high97.8Very high2 Ų242.2 Ų42.21%0.01424%0.238CC..  cis-141175.49.468.90000113.8P256 I331P256-S281 WeakPolarHBondContact CB-OG 3.35Å; S281-I331 PolarHBondContact N-O 2.85Å; S281-I331 WeakPolarHBondContact O-CB 3.44Å
282N98.8Very high97.7Very high23 Ų2346.3 Ų46.312%0.12325%0.25CC..  trans-71.2-174.1162-146.9-37000111.4N210 S212 S213 I254 P256N210-N282 PolarHBondContact OD1-ND2 2.88Å; S212-N282 VanDerWaalsContact OG-CB 3.31Å; S212-N282 WeakPolarHBondContact OG-CB 3.4Å; S212-N282 PolarHBondContact OG-ND2 2.82Å; S213-N282 PolarHBondContact N-ND2 3.37Å; I254-N282 PolarHBondContact O-N 3.42Å; P256-N282 WeakPolarHBondContact CD-O 3.4Å
283T98.7Very high97.7Very high16 Ų1642.1 Ų42.110%0.09823%0.231CC..  trans-67.6154.2175.856.30000112.7R220 P256 G301 L302R220-T283 PolarHBondContact NH2-O 2.76Å; P256-T283 WeakPolarHBondContact CD-O 3.38Å; T283-G301 WeakPolarHBondContact OG1-CA 3.46Å; T283-L302 WeakPolarHBondContact CA-O 3.5Å; T283-L302 VanDerWaalsContact CB-O 3.3Å; T283-L302 WeakPolarHBondContact CB-O 3.31Å
284T98.7Very high97.6Very high1 Ų145.7 Ų45.71%0.00626%0.256CS..BIsolated β-bridgetrans-96.9143.9178.1179.30000111.7D257 S286 G301 L302 L307D257-T284 WeakPolarHBondContact OD1-CB 3.4Å; D257-T284 PolarHBondContact OD1-OG1 2.85Å; D257-T284 WeakPolarHBondContact OD2-CA 3.38Å; T284-S286 VanDerWaalsContact OG1-CB 3.3Å; T284-S286 WeakPolarHBondContact OG1-CB 3.15Å; T284-S286 PolarHBondContact OG1-N 3.03Å; T284-S286 PolarHBondContact OG1-OG 2.92Å; T284-G301 CarbonylContact O-C 3.56Å; T284-G301 WeakPolarHBondContact O-CA 3.31Å; T284-L302 HydrophobicContact CG2-CB 3.87Å; T284-L302 HydrophobicContact CG2-CD2 4.1Å; T284-L302 HydrophobicContact CG2-CG 4.28Å; T284-L302 PolarHBondContact N-O 2.77Å; T284-L302 PolarHBondContact O-N 2.89Å; T284-L307 HydrophobicContact CG2-CD1 3.88Å
285V98Very high97.5Very high74 Ų7446.5 Ų46.545%0.44825%0.247SC..  trans-86.6-12166.8-64.40000112.5P214 D257 R287P214-V285 HydrophobicContact CB-CG1 3.5Å; P214-V285 VanDerWaalsContact CB-CG1 3.5Å; P214-V285 HydrophobicContact CG-CG1 4.33Å; D257-V285 HydrophobicContact CB-CG2 4.37Å; D257-V285 PolarHBondContact OD1-N 3.5Å; D257-V285 PolarHBondContact OD2-N 3.21Å; V285-R287 PolarHBondContact O-NH1 3.12Å; V285-R287 VanDerWaalsContact O-NH1 3.1Å
286S97.7Very high97.5Very high47 Ų4752 Ų5233%0.32927%0.267SS..  trans-61.5154.2173.474.90000111.4T284T284-S286 VanDerWaalsContact OG1-CB 3.3Å; T284-S286 WeakPolarHBondContact OG1-CB 3.15Å; T284-S286 PolarHBondContact OG1-N 3.03Å; T284-S286 PolarHBondContact OG1-OG 2.92Å
287R97.9Very high97.4Very high75 Ų7554.5 Ų54.528%0.28329%0.289SS..  trans-128.693.8175.1-66.5-61.5-176.8-87.1-3.2108V285 E289 L291 R296 E298 G300V285-R287 PolarHBondContact O-NH1 3.12Å; V285-R287 VanDerWaalsContact O-NH1 3.1Å; R287-E289 PolarHBondContact O-N 2.84Å; R287-L291 HydrophobicContact CB-CD1 4.25Å; R287-R296 WeakPolarHBondContact CD-O 3.47Å; R287-R296 PolarHBondContact NE-O 3.48Å; R287-E298 PolarHBondContact NH2-O 3.12Å; R287-G300 PolarHBondContact NH1-O 2.84Å; R287-G300 PolarHBondContact NH2-O 3.13Å
288P95.6Very high97.4Very high41 Ų4157.3 Ų57.327%0.26630%0.302SS..  trans-54.5137.8175.8-26.335.2000110.8T290 L291 P306P288-T290 PolarHBondContact O-N 2.9Å; P288-T290 VanDerWaalsContact O-N 3.08Å; P288-L291 WeakPolarHBondContact O-CB 3.39Å; P288-L291 VanDerWaalsContact O-CG 3.3Å; P288-L291 WeakPolarHBondContact O-CG 3.2Å; P288-L291 PolarHBondContact O-N 2.99Å; P288-P306 HydrophobicContact CG-CB 4.38Å
289E94.6Very high97.3Very high189 Ų18960.3 Ų60.388%0.88333%0.327SS*.THydrogen-bonded Turntrans-61.5-20.3179.2-63.1-175.4167.600112.6R287 L291R287-E289 PolarHBondContact O-N 2.84Å; E289-L291 PolarHBondContact O-N 3.38Å
290T94.8Very high97.3Very high110 Ų11061 Ų6168%0.67533%0.334SS*.THydrogen-bonded Turntrans-70.6-10.2176.8600000114.2P288P288-T290 PolarHBondContact O-N 2.9Å; P288-T290 VanDerWaalsContact O-N 3.08Å
291L97.4Very high97.3Very high3 Ų361 Ų612%0.01633%0.334CS..  trans-64.9132178.1-71.1177.4000111.4L135 D138 R287 P288 E289 R296 L302 P306L135-L291 HydrophobicContact CD2-CD2 4.42Å; D138-L291 HydrophobicContact CB-CD2 3.9Å; D138-L291 WeakPolarHBondContact OD1-CA 3.49Å; R287-L291 HydrophobicContact CB-CD1 4.25Å; P288-L291 WeakPolarHBondContact O-CB 3.39Å; P288-L291 VanDerWaalsContact O-CG 3.3Å; P288-L291 WeakPolarHBondContact O-CG 3.2Å; P288-L291 PolarHBondContact O-N 2.99Å; E289-L291 PolarHBondContact O-N 3.38Å; L291-R296 HydrophobicContact CB-CB 3.94Å; L291-R296 HydrophobicContact CD1-CB 3.92Å; L291-R296 WeakPolarHBondContact O-CD 3.35Å; L291-R296 PolarHBondContact O-NH1 2.92Å; L291-L302 HydrophobicContact CD1-CD2 3.97Å; L291-L302 HydrophobicContact CD2-CD2 4.39Å; L291-P306 HydrophobicContact CD2-CB 3.98Å; L291-P306 HydrophobicContact CD2-CG 3.58Å
292K97.3Very high97.3Very high159 Ų15960.9 Ų60.969%0.69133%0.333SS*.  trans-104.3-34.1-174.2-62.8177.9-176.4174.70113.6E137 D138E137-K292 HydrophobicContact CB-CB 3.92Å; D138-K292 VanDerWaalsContact CG-N 3.35Å; D138-K292 PolarHBondContact OD1-N 3.48Å; D138-K292 PolarHBondContact OD2-N 2.79Å
293D96.8Very high97.3Very high6 Ų660.6 Ų60.63%0.03233%0.332CS..SBendtrans-66.2138.6-174-174.6-68.4000111.3L135 P136 D138 Q295 R296L135-D293 WeakPolarHBondContact CA-OD2 3.33Å; L135-D293 HydrophobicContact CB-CB 3.63Å; L135-D293 HydrophobicContact CD2-CB 4.17Å; L135-D293 HydrophobicContact CG-CB 3.67Å; P136-D293 WeakPolarHBondContact CD-OD2 3.3Å; D138-D293 PolarHBondContact OD2-N 2.88Å; D293-Q295 PolarHBondContact O-N 3.37Å; D293-Q295 WeakPolarHBondContact OD1-CA 3.41Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.34Å; D293-Q295 WeakPolarHBondContact OD1-CG 3.39Å; D293-Q295 PolarHBondContact OD1-N 2.72Å; D293-Q295 PolarHBondContact OD1-NE2 2.87Å; D293-R296 VanDerWaalsContact O-CB 3.25Å; D293-R296 WeakPolarHBondContact O-CB 3.19Å; D293-R296 VanDerWaalsContact O-CG 3.25Å; D293-R296 WeakPolarHBondContact O-CG 3.37Å; D293-R296 PolarHBondContact O-N 3.44Å
294P95.4Very high97.3Very high106 Ų10660 Ų6069%0.68833%0.33SS*.G310 helixtrans-60.9-24.2-179.924.7-35.8000114.3R296P294-R296 PolarHBondContact O-N 3.15Å
295Q95.9Very high97.2Very high66 Ų6662.4 Ų62.431%0.30834%0.341SS..G310 helixtrans-77.73.3176.3-61.8165.186.100112.9F133 R134 L135 D293 S297 E298F133-Q295 HydrophobicContact CB-CB 4.42Å; R134-Q295 PolarHBondContact O-NE2 3.29Å; L135-Q295 HydrophobicContact CD1-CB 4.45Å; D293-Q295 PolarHBondContact O-N 3.37Å; D293-Q295 WeakPolarHBondContact OD1-CA 3.41Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.34Å; D293-Q295 WeakPolarHBondContact OD1-CG 3.39Å; D293-Q295 PolarHBondContact OD1-N 2.72Å; D293-Q295 PolarHBondContact OD1-NE2 2.87Å; Q295-S297 PolarHBondContact O-N 2.8Å; Q295-E298 HydrophobicContact CB-CG 4.04Å; Q295-E298 VanDerWaalsContact O-CB 3.24Å; Q295-E298 WeakPolarHBondContact O-CB 3.34Å; Q295-E298 VanDerWaalsContact O-CG 3.3Å; Q295-E298 WeakPolarHBondContact O-CG 3.16Å; Q295-E298 PolarHBondContact O-N 3.41Å
296R97Very high97.3Very high120 Ų12060.5 Ų60.545%0.45333%0.33SS..G310 helixtrans-54.7-26.2177.767.5-174.1-173.9169.74.7114.3L135 R287 L291 D293 P294 E298L135-R296 HydrophobicContact CD2-CB 4.31Å; R287-R296 WeakPolarHBondContact CD-O 3.47Å; R287-R296 PolarHBondContact NE-O 3.48Å; L291-R296 HydrophobicContact CB-CB 3.94Å; L291-R296 HydrophobicContact CD1-CB 3.92Å; L291-R296 WeakPolarHBondContact O-CD 3.35Å; L291-R296 PolarHBondContact O-NH1 2.92Å; D293-R296 VanDerWaalsContact O-CB 3.25Å; D293-R296 WeakPolarHBondContact O-CB 3.19Å; D293-R296 VanDerWaalsContact O-CG 3.25Å; D293-R296 WeakPolarHBondContact O-CG 3.37Å; D293-R296 PolarHBondContact O-N 3.44Å; P294-R296 PolarHBondContact O-N 3.15Å; R296-E298 VanDerWaalsContact C-N 3.32Å
297S96.5Very high97.3Very high107 Ų10758.5 Ų58.575%0.74832%0.316SS*.G310 helixtrans-82-4.8177.8560000114.4Q295 A299Q295-S297 PolarHBondContact O-N 2.8Å; S297-A299 PolarHBondContact O-N 2.85Å
298E98.3Very high97.4Very high58 Ų5857.2 Ų57.227%0.27131%0.312SS..  trans-60138.4178-75.5-69.8170.800111.5F133 I142 R144 R287 Q295 R296F133-E298 HydrophobicContact CB-CG 4.45Å; F133-E298 HydrophobicContact CD1-CG 3.8Å; F133-E298 HydrophobicContact CD2-CB 4.04Å; F133-E298 HydrophobicContact CD2-CG 4.06Å; F133-E298 HydrophobicContact CE1-CG 4.08Å; F133-E298 HydrophobicContact CE2-CB 4.46Å; F133-E298 HydrophobicContact CE2-CG 4.38Å; F133-E298 HydrophobicContact CG-CB 4.18Å; F133-E298 HydrophobicContact CG-CG 3.8Å; F133-E298 HydrophobicContact CZ-CG 4.39Å; I142-E298 HydrophobicContact CD1-CB 4.35Å; I142-E298 HydrophobicContact CG2-CB 4.03Å; R144-E298 IonicContact CZ-OE2 3.16Å; R144-E298 IonicContact NH1-OE2 3.51Å; R144-E298 PolarHBondContact NH1-OE2 3.35Å; R144-E298 IonicContact NH2-OE2 2.73Å; R144-E298 PolarHBondContact NH2-OE2 3.17Å; R287-E298 PolarHBondContact NH2-O 3.12Å; Q295-E298 HydrophobicContact CB-CG 4.04Å; Q295-E298 VanDerWaalsContact O-CB 3.24Å; Q295-E298 WeakPolarHBondContact O-CB 3.34Å; Q295-E298 VanDerWaalsContact O-CG 3.3Å; Q295-E298 WeakPolarHBondContact O-CG 3.16Å; Q295-E298 PolarHBondContact O-N 3.41Å; R296-E298 VanDerWaalsContact C-N 3.32Å
299A97.8Very high97.5Very high64 Ų6460.9 Ų60.953%0.52933%0.33SS..SBendtrans-68.9146.2176.900000111.6R144 S297R144-A299 WeakPolarHBondContact CD-O 3.34Å; R144-A299 PolarHBondContact NH1-O 3.33Å; S297-A299 PolarHBondContact O-N 2.85Å
300G98Very high97.7Very high14 Ų1454.5 Ų54.514%0.14430%0.301CS..SBendtrans123.8-170176.300000113.3N143 N215 R287N143-G300 CarbonylContact O-C 3.47Å; N143-G300 WeakPolarHBondContact O-CA 3.41Å; N215-G300 WeakPolarHBondContact OD1-CA 3.35Å; R287-G300 PolarHBondContact NH1-O 2.84Å; R287-G300 PolarHBondContact NH2-O 3.13Å
301G98.6Very high97.9Very high0 Ų049.3 Ų49.30%027%0.269CS..EExtended strand (participates in β ladder)trans-87.3128.4-179.400000112.8I142 N143 T283 T284I142-G301 WeakPolarHBondContact CA-O 3.49Å; N143-G301 PolarHBondContact N-O 3.38Å; N143-G301 PolarHBondContact ND2-O 3.39Å; N143-G301 PolarHBondContact O-N 3.35Å; T283-G301 WeakPolarHBondContact OG1-CA 3.46Å; T284-G301 CarbonylContact O-C 3.56Å; T284-G301 WeakPolarHBondContact O-CA 3.31Å
302L98.8Very high97.9Very high0 Ų050 Ų500%027%0.273CS..EExtended strand (participates in β ladder)trans-83.5135.5172.3177.969.9000110.7L135 A140 V141 I142 T283 T284 L291 P306L135-L302 HydrophobicContact CD2-CD1 4.28Å; A140-L302 HydrophobicContact CB-CD1 3.9Å; V141-L302 CarbonylContact O-C 3.57Å; V141-L302 WeakPolarHBondContact O-CA 3.22Å; I142-L302 HydrophobicContact CD1-CD1 4.33Å; I142-L302 HydrophobicContact CG1-CB 4.25Å; I142-L302 HydrophobicContact CG1-CD1 3.73Å; T283-L302 WeakPolarHBondContact CA-O 3.5Å; T283-L302 VanDerWaalsContact CB-O 3.3Å; T283-L302 WeakPolarHBondContact CB-O 3.31Å; T284-L302 HydrophobicContact CG2-CB 3.87Å; T284-L302 HydrophobicContact CG2-CD2 4.1Å; T284-L302 HydrophobicContact CG2-CG 4.28Å; T284-L302 PolarHBondContact N-O 2.77Å; T284-L302 PolarHBondContact O-N 2.89Å; L291-L302 HydrophobicContact CD1-CD2 3.97Å; L291-L302 HydrophobicContact CD2-CD2 4.39Å; L302-P306 HydrophobicContact CD2-CB 4.1Å
303S98.8Very high98Very high16 Ų1648.1 Ų48.111%0.11227%0.266CS..EExtended strand (participates in β ladder)trans-135.6172.2176.173.30000111.1A140 V141 T355A140-S303 WeakPolarHBondContact CA-O 3.44Å; A140-S303 WeakPolarHBondContact CB-O 3.37Å; V141-S303 PolarHBondContact N-O 3.3Å; V141-S303 VanDerWaalsContact N-O 3.08Å; V141-S303 PolarHBondContact O-N 3.49Å; V141-S303 PolarHBondContact O-OG 2.91Å; S303-T355 WeakPolarHBondContact CB-OG1 3.26Å; S303-T355 PolarHBondContact OG-OG1 3.48Å
304G98.5Very high98.1Very high4 Ų447.9 Ų47.94%0.04126%0.264CS..EExtended strand (participates in β ladder)trans97.7-156.3179.800000112.9P306 L307 G333 T355G304-P306 VanDerWaalsContact C-CD 3.44Å; G304-L307 WeakPolarHBondContact O-CB 3.44Å; G304-L307 PolarHBondContact O-N 3.32Å; G304-L307 VanDerWaalsContact O-N 3.09Å; G304-G333 WeakPolarHBondContact O-CA 3.5Å; G304-G333 PolarHBondContact O-N 2.92Å; G304-T355 PolarHBondContact N-OG1 3.49Å
305Q98.4Very high98.3Very high52 Ų5242.8 Ų42.824%0.24323%0.231CC..G310 helixtrans-54.3-41.5-173.7-75.3-60.6-33.300114.5Q139 L307 K308 G333Q139-Q305 HydrophobicContact CB-CB 4.27Å; Q139-Q305 HydrophobicContact CB-CG 3.81Å; Q139-Q305 PolarHBondContact O-N 3.49Å; Q305-L307 PolarHBondContact O-N 2.9Å; Q305-L307 VanDerWaalsContact O-N 3.08Å; Q305-K308 WeakPolarHBondContact O-CB 3.39Å; Q305-K308 PolarHBondContact O-N 3.25Å; Q305-G333 PolarHBondContact NE2-O 2.76Å
306P98.6Very high98.4Very high34 Ų3443.4 Ų43.422%0.22123%0.231CC..G310 helixtrans-63.6-18.6179.9-24.336000114.4D138 A140 P288 L291 L302 G304D138-P306 HydrophobicContact CB-CG 4.16Å; D138-P306 WeakPolarHBondContact O-CD 3.39Å; A140-P306 HydrophobicContact CB-CG 3.89Å; P288-P306 HydrophobicContact CG-CB 4.38Å; L291-P306 HydrophobicContact CD2-CB 3.98Å; L291-P306 HydrophobicContact CD2-CG 3.58Å; L302-P306 HydrophobicContact CD2-CB 4.1Å; G304-P306 VanDerWaalsContact C-CD 3.44Å
307L98.7Very high98.5Very high5 Ų540.3 Ų40.33%0.02622%0.221CC..G310 helixtrans-87.9-12176.9177.459.5000112.6P256 T284 G304 Q305 D309 L310 S311P256-L307 HydrophobicContact CB-CD1 4.15Å; P256-L307 HydrophobicContact CG-CD1 3.92Å; T284-L307 HydrophobicContact CG2-CD1 3.88Å; G304-L307 WeakPolarHBondContact O-CB 3.44Å; G304-L307 PolarHBondContact O-N 3.32Å; G304-L307 VanDerWaalsContact O-N 3.09Å; Q305-L307 PolarHBondContact O-N 2.9Å; Q305-L307 VanDerWaalsContact O-N 3.08Å; L307-D309 PolarHBondContact O-N 3.25Å; L307-L310 HydrophobicContact CD1-CB 4.43Å; L307-L310 HydrophobicContact CD1-CD2 4.27Å; L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3.38Å; L307-S311 PolarHBondContact O-OG 3.16Å
308K98.6Very high98.6Very high47 Ų4735.2 Ų35.220%0.20419%0.186CC..Hα-helixtrans-55-56-170.1-175-173.665.7171.20112.2Q305 S311 T312 D339 K343Q305-K308 WeakPolarHBondContact O-CB 3.39Å; Q305-K308 PolarHBondContact O-N 3.25Å; K308-S311 PolarHBondContact O-N 3.22Å; K308-S311 PolarHBondContact O-OG 3.2Å; K308-T312 PolarHBondContact O-N 3.27Å; K308-T312 PolarHBondContact O-OG1 3.17Å; K308-T312 VanDerWaalsContact O-OG1 3.04Å; K308-D339 HydrophobicContact CD-CB 4.3Å; K308-D339 WeakPolarHBondContact CD-OD1 3.04Å; K308-D339 IonicContact NZ-OD1 2.75Å; K308-D339 PolarHBondContact NZ-OD1 3.08Å; K308-K343 PolarHBondContact O-NZ 3.47Å
309D98.5Very high98.6Very high119 Ų11934.4 Ų34.464%0.63618%0.18SC*.Hα-helixtrans-71-41-171.8-61.1-18.4000111.4L307 S311 T312 K313L307-D309 PolarHBondContact O-N 3.25Å; D309-S311 PolarHBondContact O-N 2.98Å; D309-T312 PolarHBondContact O-N 3.43Å; D309-K313 VanDerWaalsContact O-CB 3.32Å; D309-K313 WeakPolarHBondContact O-CB 3.47Å; D309-K313 PolarHBondContact O-N 3.34Å
310L98.6Very high98.7Very high55 Ų5535.4 Ų35.429%0.28818%0.177SC..Hα-helixtrans-60-46.3175.4178.460.4000111.3P256 L307 K313 T314P256-L310 HydrophobicContact CB-CD2 3.83Å; P256-L310 HydrophobicContact CB-CG 3.9Å; P256-L310 HydrophobicContact CG-CD2 4.36Å; L307-L310 HydrophobicContact CD1-CB 4.43Å; L307-L310 HydrophobicContact CD1-CD2 4.27Å; L310-K313 PolarHBondContact O-N 3.27Å; L310-T314 PolarHBondContact O-N 3.5Å; L310-T314 PolarHBondContact O-OG1 3.1Å
311S98.8Very high98.7Very high0 Ų037.1 Ų37.10%018%0.183CC..Hα-helixtrans-66.8-41.517858.20000112.7L307 K308 D309 K313 T314 V315 I331 G332 K343L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3.38Å; L307-S311 PolarHBondContact O-OG 3.16Å; K308-S311 PolarHBondContact O-N 3.22Å; K308-S311 PolarHBondContact O-OG 3.2Å; D309-S311 PolarHBondContact O-N 2.98Å; S311-K313 VanDerWaalsContact C-N 3.34Å; S311-K313 PolarHBondContact O-N 3.2Å; S311-T314 PolarHBondContact O-N 3.09Å; S311-V315 WeakPolarHBondContact O-CG2 3.19Å; S311-V315 PolarHBondContact O-N 3.19Å; S311-I331 WeakPolarHBondContact CB-O 3.33Å; S311-G332 PolarHBondContact OG-O 2.89Å; S311-K343 WeakPolarHBondContact OG-CE 3.49Å; S311-K343 PolarHBondContact OG-NZ 2.62Å
312T98.9Very high98.7Very high17 Ų1737.3 Ų37.310%0.10418%0.184CC..Hα-helixtrans-63.7-40175.9-59.20000111.5K308 D309 V315 R316 K343 A346K308-T312 PolarHBondContact O-N 3.27Å; K308-T312 PolarHBondContact O-OG1 3.17Å; K308-T312 VanDerWaalsContact O-OG1 3.04Å; D309-T312 PolarHBondContact O-N 3.43Å; T312-V315 WeakPolarHBondContact O-CB 3.45Å; T312-V315 PolarHBondContact O-N 3.1Å; T312-R316 PolarHBondContact O-N 3.22Å; T312-K343 HydrophobicContact CG2-CG 4.43Å; T312-K343 PolarHBondContact OG1-NZ 3.46Å; T312-A346 HydrophobicContact CG2-CB 3.93Å
313K98.8Very high98.7Very high121 Ų12145.5 Ų45.553%0.52622%0.219SC..Hα-helixtrans-60.9-45.6173.6-179.4176.3174177.70111.4D309 L310 S311 V315 R316 E317D309-K313 VanDerWaalsContact O-CB 3.32Å; D309-K313 WeakPolarHBondContact O-CB 3.47Å; D309-K313 PolarHBondContact O-N 3.34Å; L310-K313 PolarHBondContact O-N 3.27Å; S311-K313 VanDerWaalsContact C-N 3.34Å; S311-K313 PolarHBondContact O-N 3.2Å; K313-V315 VanDerWaalsContact C-N 3.33Å; K313-V315 PolarHBondContact O-N 3.36Å; K313-R316 WeakPolarHBondContact O-CB 3.33Å; K313-R316 PolarHBondContact O-N 3.35Å; K313-R316 VanDerWaalsContact O-N 3.16Å; K313-E317 WeakPolarHBondContact CE-OE1 3.42Å; K313-E317 HydrophobicContact CG-CG 4.5Å; K313-E317 IonicContact NZ-OE1 3.23Å; K313-E317 WeakPolarHBondContact O-CG 3.41Å; K313-E317 PolarHBondContact O-N 2.93Å
314T98.9Very high98.6Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-63.9-37.2177.1-54.40000111.9I254 V280 L310 S311 R316 E317 M318I254-T314 HydrophobicContact CD1-CG2 4.27Å; V280-T314 HydrophobicContact CG1-CG2 3.47Å; V280-T314 VanDerWaalsContact CG1-CG2 3.47Å; L310-T314 PolarHBondContact O-N 3.5Å; L310-T314 PolarHBondContact O-OG1 3.1Å; S311-T314 PolarHBondContact O-N 3.09Å; T314-R316 VanDerWaalsContact C-N 3.34Å; T314-R316 PolarHBondContact O-N 3.27Å; T314-E317 PolarHBondContact O-N 2.91Å; T314-M318 HydrophobicContact CG2-CG 4.23Å; T314-M318 WeakPolarHBondContact O-CB 3.31Å; T314-M318 VanDerWaalsContact O-CG 3.3Å; T314-M318 WeakPolarHBondContact O-CG 3.17Å; T314-M318 PolarHBondContact O-N 2.89Å
315V98.9Very high98.5Very high0 Ų053.6 Ų53.60%026%0.26CS..Hα-helixtrans-57.2-49.6171.8168.80000110.2V280 S311 T312 K313 E317 M318 Y319 I328 A346 A348V280-V315 HydrophobicContact CB-CG2 3.84Å; V280-V315 HydrophobicContact CG1-CB 4.47Å; V280-V315 HydrophobicContact CG1-CG2 3.77Å; S311-V315 WeakPolarHBondContact O-CG2 3.19Å; S311-V315 PolarHBondContact O-N 3.19Å; T312-V315 WeakPolarHBondContact O-CB 3.45Å; T312-V315 PolarHBondContact O-N 3.1Å; K313-V315 VanDerWaalsContact C-N 3.33Å; K313-V315 PolarHBondContact O-N 3.36Å; V315-E317 PolarHBondContact O-N 3.19Å; V315-M318 PolarHBondContact O-N 3.04Å; V315-Y319 WeakPolarHBondContact O-CB 3.29Å; V315-Y319 PolarHBondContact O-N 3.38Å; V315-I328 HydrophobicContact CG1-CG2 4.21Å; V315-I328 HydrophobicContact CG2-CG2 4.21Å; V315-A346 HydrophobicContact CB-CB 4.41Å; V315-A346 HydrophobicContact CG1-CB 3.93Å; V315-A348 HydrophobicContact CG1-CB 4.14Å
316R98.9Very high98.5Very high79 Ų7951.6 Ų51.630%0.29825%0.251SS..Hα-helixtrans-58.5-46.7-179.7-169.9179-61.1-72.4-1.5112.3T312 K313 T314 N320 A346 D391 H392T312-R316 PolarHBondContact O-N 3.22Å; K313-R316 WeakPolarHBondContact O-CB 3.33Å; K313-R316 PolarHBondContact O-N 3.35Å; K313-R316 VanDerWaalsContact O-N 3.16Å; T314-R316 VanDerWaalsContact C-N 3.34Å; T314-R316 PolarHBondContact O-N 3.27Å; R316-N320 PolarHBondContact O-N 2.93Å; R316-N320 VanDerWaalsContact O-N 3.15Å; R316-A346 WeakPolarHBondContact CA-O 3.33Å; R316-A346 HydrophobicContact CB-CB 4.21Å; R316-D391 IonicContact CZ-OD2 3.14Å; R316-D391 VanDerWaalsContact CZ-OD2 3.3Å; R316-D391 IonicContact NH1-OD2 2.83Å; R316-D391 PolarHBondContact NH1-OD2 3.06Å; R316-D391 IonicContact NH2-OD2 3.4Å; R316-D391 PolarHBondContact NH2-OD2 2.72Å; R316-H392 WeakPolarHBondContact CG-CE1 3.24Å; R316-H392 PolarHBondContact O-CE1 2.79Å
317E98.8Very high98.5Very high55 Ų5551.7 Ų51.726%0.25725%0.252SS..Hα-helixtrans-65.6-47.6179.9-70.2167.3163.700111.5K263 K313 T314 V315 Y319 N320 L321K263-E317 WeakPolarHBondContact CD-OE2 3.32Å; K263-E317 WeakPolarHBondContact CE-OE2 3.23Å; K263-E317 IonicContact NZ-OE2 3.37Å; K263-E317 PolarHBondContact NZ-OE2 3.08Å; K313-E317 WeakPolarHBondContact CE-OE1 3.42Å; K313-E317 HydrophobicContact CG-CG 4.5Å; K313-E317 IonicContact NZ-OE1 3.23Å; K313-E317 WeakPolarHBondContact O-CG 3.41Å; K313-E317 PolarHBondContact O-N 2.93Å; T314-E317 PolarHBondContact O-N 2.91Å; V315-E317 PolarHBondContact O-N 3.19Å; E317-Y319 VanDerWaalsContact C-N 3.33Å; E317-Y319 PolarHBondContact O-N 3.27Å; E317-N320 PolarHBondContact O-N 3.24Å; E317-L321 WeakPolarHBondContact O-CB 3.2Å; E317-L321 WeakPolarHBondContact O-CG 3.3Å; E317-L321 PolarHBondContact O-N 2.64Å
318M98.9Very high98.5Very high0 Ų051.4 Ų51.40%025%0.25CS..Hα-helixtrans-65.7-36179-66.8-51.5-60.300112.5I254 K263 I266 A267 L278 V280 T314 V315 N320 L321 T322 I328I254-M318 HydrophobicContact CD1-CE 4.47Å; I254-M318 HydrophobicContact CD1-CG 3.83Å; I254-M318 HydrophobicContact CD1-SD 4.18Å; K263-M318 HydrophobicContact CB-SD 3.78Å; K263-M318 HydrophobicContact CG-SD 4.01Å; I266-M318 HydrophobicContact CB-CE 4.25Å; I266-M318 HydrophobicContact CG2-CE 3.76Å; A267-M318 HydrophobicContact CB-CE 3.98Å; L278-M318 HydrophobicContact CD1-CB 4.17Å; L278-M318 HydrophobicContact CD1-CE 3.65Å; V280-M318 HydrophobicContact CG2-CG 4.43Å; T314-M318 HydrophobicContact CG2-CG 4.23Å; T314-M318 WeakPolarHBondContact O-CB 3.31Å; T314-M318 VanDerWaalsContact O-CG 3.3Å; T314-M318 WeakPolarHBondContact O-CG 3.17Å; T314-M318 PolarHBondContact O-N 2.89Å; V315-M318 PolarHBondContact O-N 3.04Å; M318-N320 VanDerWaalsContact C-N 3.33Å; M318-N320 PolarHBondContact O-N 2.91Å; M318-L321 PolarHBondContact O-N 3.28Å; M318-L321 HydrophobicContact SD-CD1 4.1Å; M318-T322 WeakPolarHBondContact O-CB 3.48Å; M318-T322 WeakPolarHBondContact O-CG2 3.37Å; M318-T322 PolarHBondContact O-N 2.83Å; M318-T322 PolarHBondContact O-OG1 2.98Å; M318-I328 HydrophobicContact CB-CD1 4.11Å
319Y98.8Very high98.5Very high40 Ų4049.2 Ų49.216%0.15724%0.241CC..Hα-helixtrans-60.6-44.4174.1-173.5-93.4000111.2V315 E317 T322 K323 G324 I328 G347 V388 H392V315-Y319 WeakPolarHBondContact O-CB 3.29Å; V315-Y319 PolarHBondContact O-N 3.38Å; E317-Y319 VanDerWaalsContact C-N 3.33Å; E317-Y319 PolarHBondContact O-N 3.27Å; Y319-T322 PolarHBondContact O-OG1 3.05Å; Y319-K323 PolarHBondContact O-N 3.14Å; Y319-G324 PolarHBondContact O-N 3.38Å; Y319-I328 HydrophobicContact CD2-CD1 4.37Å; Y319-G347 VanDerWaalsContact CD2-O 3.31Å; Y319-G347 WeakPolarHBondContact CD2-O 3.27Å; Y319-V388 HydrophobicContact CE2-CG1 4.44Å; Y319-H392 AromaticContact CD1-CD2 3.35Å; Y319-H392 WeakPolarHBondContact CD1-CD2 3.29Å; Y319-H392 AromaticContact CD1-CE1 3.97Å; Y319-H392 AromaticContact CD1-CG 3.99Å; Y319-H392 AromaticContact CD1-NE2 3.35Å; Y319-H392 VanDerWaalsContact CD1-NE2 3.35Å; Y319-H392 WeakPolarHBondContact CD1-NE2 3.36Å; Y319-H392 HydrophobicContact CE1-CB 4.43Å; Y319-H392 AromaticContact CE1-CD2 3.57Å; Y319-H392 AromaticContact CG-NE2 3.97Å
320N98.5Very high98.6Very high86 Ų8643.5 Ų43.546%0.4621%0.21SC..Hα-helixtrans-65.3-47.6176.8-79.1-16.7000112.8R316 E317 M318 T322 K323 H392R316-N320 PolarHBondContact O-N 2.93Å; R316-N320 VanDerWaalsContact O-N 3.15Å; E317-N320 PolarHBondContact O-N 3.24Å; M318-N320 VanDerWaalsContact C-N 3.33Å; M318-N320 PolarHBondContact O-N 2.91Å; N320-T322 PolarHBondContact O-N 3.04Å; N320-K323 PolarHBondContact O-N 3.35Å; N320-H392 PolarHBondContact ND2-CE1 3.33Å; N320-H392 VanDerWaalsContact ND2-CE1 3.3Å; N320-H392 PolarHBondContact ND2-ND1 2.78Å; N320-H392 PolarHBondContact OD1-CE1 3.49Å; N320-H392 PolarHBondContact OD1-ND1 2.7Å
321L98.7Very high98.6Very high50 Ų5041.5 Ų41.526%0.26220%0.2SC..Hα-helixtrans-62.3-35.1-179.2-67.9169000112K263 A267 E317 M318 K323K263-L321 HydrophobicContact CB-CD1 3.71Å; A267-L321 HydrophobicContact CB-CB 3.51Å; A267-L321 HydrophobicContact CB-CD1 4.41Å; E317-L321 WeakPolarHBondContact O-CB 3.2Å; E317-L321 WeakPolarHBondContact O-CG 3.3Å; E317-L321 PolarHBondContact O-N 2.64Å; M318-L321 PolarHBondContact O-N 3.28Å; M318-L321 HydrophobicContact SD-CD1 4.1Å; L321-K323 VanDerWaalsContact C-N 3.33Å
322T98.5Very high98.6Very high3 Ų342 Ų422%0.01820%0.204CC..THydrogen-bonded Turntrans-89.43175.861.70000113.5A267 V270 L278 M318 Y319 N320 G324 K325 V326A267-T322 HydrophobicContact CB-CG2 4.05Å; V270-T322 HydrophobicContact CG2-CG2 4.15Å; L278-T322 HydrophobicContact CD1-CG2 4.3Å; M318-T322 WeakPolarHBondContact O-CB 3.48Å; M318-T322 WeakPolarHBondContact O-CG2 3.37Å; M318-T322 PolarHBondContact O-N 2.83Å; M318-T322 PolarHBondContact O-OG1 2.98Å; Y319-T322 PolarHBondContact O-OG1 3.05Å; N320-T322 PolarHBondContact O-N 3.04Å; T322-G324 PolarHBondContact O-N 2.65Å; T322-K325 WeakPolarHBondContact O-CB 3.47Å; T322-K325 PolarHBondContact O-N 3.44Å; T322-V326 HydrophobicContact CG2-CB 3.96Å; T322-V326 HydrophobicContact CG2-CG2 3.92Å
323K97.8Very high98.5Very high172 Ų17241.6 Ų41.675%0.74820%0.204SC*.THydrogen-bonded Turntrans5335.9-179.6-54179.9-178.4-178.90113Y319 N320 L321 K325Y319-K323 PolarHBondContact O-N 3.14Å; N320-K323 PolarHBondContact O-N 3.35Å; L321-K323 VanDerWaalsContact C-N 3.33Å; K323-K325 PolarHBondContact O-N 3.11Å; K323-K325 VanDerWaalsContact O-N 3.12Å
324G97.1Very high98.5Very high30 Ų3036 Ų3631%0.30918%0.179SC..THydrogen-bonded Turntrans64.310.3-176.600000115.5Y319 T322Y319-G324 PolarHBondContact O-N 3.38Å; T322-G324 PolarHBondContact O-N 2.65Å
325K96.9Very high98.5Very high161 Ų16136.3 Ų36.370%0.718%0.182SC*.  trans-84.4-24.3-177-62.6-174.3178.7-175.10113.7T322 K323T322-K325 WeakPolarHBondContact O-CB 3.47Å; T322-K325 PolarHBondContact O-N 3.44Å; K323-K325 PolarHBondContact O-N 3.11Å; K323-K325 VanDerWaalsContact O-N 3.12Å
326V98.6Very high98.5Very high9 Ų937.5 Ų37.56%0.05519%0.191CC..SBendtrans-103.7111.6179.1-178.50000107.8V270 L278 T322V270-V326 HydrophobicContact CG2-CG2 4.32Å; L278-V326 HydrophobicContact CD1-CG1 4.31Å; L278-V326 HydrophobicContact CG-CG1 4.02Å; T322-V326 HydrophobicContact CG2-CB 3.96Å; T322-V326 HydrophobicContact CG2-CG2 3.92Å
327P98.8Very high98.5Very high36 Ų3633.8 Ų33.823%0.23418%0.177CC..  trans-65.3146.7-178.8-11.321.9000112.1V81 F82 D276 G277 L278V81-P327 HydrophobicContact CG2-CB 3.37Å; V81-P327 HydrophobicContact CG2-CG 3.7Å; F82-P327 HydrophobicContact CD1-CB 4.3Å; F82-P327 HydrophobicContact CD1-CG 4.14Å; F82-P327 HydrophobicContact CE1-CB 3.52Å; F82-P327 HydrophobicContact CE1-CG 3.78Å; F82-P327 HydrophobicContact CZ-CB 3.94Å; D276-P327 WeakPolarHBondContact O-CD 3.43Å; G277-P327 VanDerWaalsContact CA-O 3.24Å; G277-P327 WeakPolarHBondContact CA-O 3.33Å; L278-P327 PolarHBondContact N-O 3.41Å
328I98.9Very high98.5Very high0 Ų034.9 Ų34.90%018%0.182CC..EExtended strand (participates in β ladder)trans-119134.6-172.9-63.7171.1000110.5L278 V280 V315 M318 Y319 A348 S349 L350L278-I328 HydrophobicContact CB-CG1 4.22Å; L278-I328 CarbonylContact O-C 3.52Å; L278-I328 WeakPolarHBondContact O-CA 2.98Å; V280-I328 HydrophobicContact CB-CG2 4.01Å; V280-I328 HydrophobicContact CG2-CG2 3.83Å; V315-I328 HydrophobicContact CG1-CG2 4.21Å; V315-I328 HydrophobicContact CG2-CG2 4.21Å; M318-I328 HydrophobicContact CB-CD1 4.11Å; Y319-I328 HydrophobicContact CD2-CD1 4.37Å; I328-A348 HydrophobicContact CG2-CB 4.34Å; I328-A348 CarbonylContact O-C 3.56Å; I328-A348 WeakPolarHBondContact O-CA 3.33Å; I328-S349 PolarHBondContact O-N 2.92Å; I328-L350 PolarHBondContact O-N 3.35Å
329I98.9Very high98.5Very high0 Ų035.3 Ų35.30%018%0.184CC..EExtended strand (participates in β ladder)trans-96.2114.5161.5-53.9-172.9000108.4F82 F113 L251 L278 M279 V280 I331 L350 Q352F82-I329 HydrophobicContact CE2-CD1 4.01Å; F82-I329 HydrophobicContact CE2-CG1 4.07Å; F82-I329 HydrophobicContact CZ-CD1 4.4Å; F82-I329 HydrophobicContact CZ-CG1 4.09Å; F113-I329 HydrophobicContact CE2-CD1 4.15Å; F113-I329 HydrophobicContact CE2-CG2 4.37Å; F113-I329 HydrophobicContact CZ-CG2 4.08Å; L251-I329 HydrophobicContact CD2-CD1 3.56Å; L251-I329 HydrophobicContact CD2-CG1 4.04Å; L278-I329 PolarHBondContact O-N 2.95Å; M279-I329 WeakPolarHBondContact CA-O 3.49Å; M279-I329 HydrophobicContact CE-CB 4.01Å; M279-I329 HydrophobicContact CE-CD1 3.83Å; M279-I329 HydrophobicContact CE-CG1 4.45Å; M279-I329 HydrophobicContact CE-CG2 3.88Å; M279-I329 HydrophobicContact CG-CB 4.36Å; V280-I329 PolarHBondContact N-O 3.46Å; I329-I331 HydrophobicContact CG2-CG1 4.2Å; I329-L350 CarbonylContact C-O 3.5Å; I329-L350 WeakPolarHBondContact CA-O 3.34Å; I329-L350 HydrophobicContact CD1-CD1 4.17Å; I329-L350 HydrophobicContact CG1-CB 4.21Å; I329-L350 HydrophobicContact CG1-CD1 4.25Å; I329-L350 HydrophobicContact CG2-CB 4.28Å; I329-Q352 HydrophobicContact CG2-CG 3.81Å
330G98.9Very high98.5Very high0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-84.1127.5-179.300000112.9V280 L350 V351 Q352V280-G330 CarbonylContact O-C 3.59Å; V280-G330 WeakPolarHBondContact O-CA 3.3Å; G330-L350 PolarHBondContact N-O 2.97Å; G330-V351 CarbonylContact O-C 3.57Å; G330-V351 WeakPolarHBondContact O-CA 3.34Å; G330-Q352 PolarHBondContact O-N 3.12Å
331I98.8Very high98.5Very high13 Ų1329.3 Ų29.37%0.06716%0.155CC..EExtended strand (participates in β ladder)trans-140.7137.2-172.6-42169.4000109.1A93 M279 V280 S281 S311 I329 Q352A93-I331 HydrophobicContact CB-CG2 4.21Å; M279-I331 HydrophobicContact CB-CD1 3.92Å; M279-I331 HydrophobicContact CE-CD1 3.69Å; V280-I331 CarbonylContact C-O 3.59Å; V280-I331 PolarHBondContact O-N 3.07Å; S281-I331 PolarHBondContact N-O 2.85Å; S281-I331 WeakPolarHBondContact O-CB 3.44Å; S311-I331 WeakPolarHBondContact CB-O 3.33Å; I329-I331 HydrophobicContact CG2-CG1 4.2Å; I331-Q352 HydrophobicContact CG1-CB 4.06Å; I331-Q352 HydrophobicContact CG1-CG 4.41Å; I331-Q352 HydrophobicContact CG2-CB 4.23Å
332G98.5Very high98.6Very high9 Ų929.4 Ų29.49%0.09316%0.156CC..SBendtrans123.4116.7175.500000111.8S311 V334 K343S311-G332 PolarHBondContact OG-O 2.89Å; G332-V334 PolarHBondContact O-N 3.49Å; G332-K343 VanDerWaalsContact O-CE 3.23Å; G332-K343 WeakPolarHBondContact O-CE 3.3Å; G332-K343 PolarHBondContact O-NZ 3.11Å
333G98.4Very high98.6Very high9 Ų929.3 Ų29.39%0.09316%0.155CC..SBendtrans66.813.3175.300000116.6G304 Q305 A335G304-G333 WeakPolarHBondContact O-CA 3.5Å; G304-G333 PolarHBondContact O-N 2.92Å; Q305-G333 PolarHBondContact NE2-O 2.76Å; G333-A335 PolarHBondContact O-N 3.26Å
334V98.9Very high98.6Very high3 Ų321.1 Ų21.12%0.01812%0.119CC..  trans-73.6111.6175.9-177.40000109.9G332 D339 A340 K343 V351 L353 A356 I368G332-V334 PolarHBondContact O-N 3.49Å; V334-D339 HydrophobicContact CG1-CB 4.39Å; V334-A340 HydrophobicContact CG1-CB 4.17Å; V334-K343 HydrophobicContact CG2-CD 3.62Å; V334-V351 HydrophobicContact CG1-CG2 4.49Å; V334-V351 HydrophobicContact CG2-CB 4.49Å; V334-L353 HydrophobicContact CB-CB 4.38Å; V334-A356 VanDerWaalsContact O-CB 3.28Å; V334-A356 WeakPolarHBondContact O-CB 3.38Å; V334-I368 HydrophobicContact CG1-CD1 4.36Å
335A98.5Very high98.7Very high7 Ų721.1 Ų21.16%0.05811%0.11CC..  trans-138.5-0.2-177.900000114.3G333 D339 A356 Q360G333-A335 PolarHBondContact O-N 3.26Å; A335-D339 PolarHBondContact N-OD2 2.7Å; A335-A356 HydrophobicContact CB-CB 3.72Å; A335-Q360 PolarHBondContact O-NE2 3.07Å
336S98.9Very high98.8Very high26 Ų2613.5 Ų13.518%0.1828%0.077CC..SBendtrans-147.7165.8177.765.10000110.8Q338 D339 A340 E371S336-Q338 PolarHBondContact O-N 2.93Å; S336-D339 PolarHBondContact N-OD2 3.26Å; S336-D339 PolarHBondContact O-N 3.29Å; S336-D339 PolarHBondContact OG-N 2.87Å; S336-D339 PolarHBondContact OG-OD2 2.96Å; S336-A340 PolarHBondContact O-N 3.04Å; S336-E371 WeakPolarHBondContact CA-OE2 3.3Å
337G98.8Very high98.8Very high0 Ų013 Ų130%07%0.074CC..Hα-helixtrans-61.3-31.6171.800000112.7A340 M341 E371 L375G337-A340 PolarHBondContact O-N 3.3Å; G337-M341 WeakPolarHBondContact O-CB 3.34Å; G337-M341 PolarHBondContact O-N 3.41Å; G337-E371 PolarHBondContact N-OE2 3.36Å; G337-L375 VanDerWaalsContact C-CD1 3.44Å
338Q98.9Very high98.8Very high78 Ų7811.3 Ų11.336%0.3646%0.063SC..Hα-helixtrans-64.9-46.3174.8-172.463.651.400111.1S336 A340 M341 D342 L375S336-Q338 PolarHBondContact O-N 2.93Å; Q338-A340 PolarHBondContact O-N 3.12Å; Q338-M341 WeakPolarHBondContact O-CB 3.42Å; Q338-M341 PolarHBondContact O-N 3.45Å; Q338-M341 VanDerWaalsContact O-N 3.12Å; Q338-D342 PolarHBondContact NE2-OD1 3.36Å; Q338-D342 WeakPolarHBondContact O-CB 3.3Å; Q338-D342 PolarHBondContact O-N 3.15Å; Q338-L375 HydrophobicContact CB-CD1 4.2Å
339D98.9Very high98.8Very high10 Ų1012 Ų125%0.0537%0.068CC..Hα-helixtrans-62.6-33.8178.5-52.6-45.7000111.9K308 V334 A335 S336 K343K308-D339 HydrophobicContact CD-CB 4.3Å; K308-D339 WeakPolarHBondContact CD-OD1 3.04Å; K308-D339 IonicContact NZ-OD1 2.75Å; K308-D339 PolarHBondContact NZ-OD1 3.08Å; V334-D339 HydrophobicContact CG1-CB 4.39Å; A335-D339 PolarHBondContact N-OD2 2.7Å; S336-D339 PolarHBondContact N-OD2 3.26Å; S336-D339 PolarHBondContact O-N 3.29Å; S336-D339 PolarHBondContact OG-N 2.87Å; S336-D339 PolarHBondContact OG-OD2 2.96Å; D339-K343 PolarHBondContact O-N 3.39Å
340A98.9Very high98.8Very high0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-67.6-47.9173.300000111.2V334 S336 G337 Q338 D342 K343 I344 V351 I368 L372V334-A340 HydrophobicContact CG1-CB 4.17Å; S336-A340 PolarHBondContact O-N 3.04Å; G337-A340 PolarHBondContact O-N 3.3Å; Q338-A340 PolarHBondContact O-N 3.12Å; A340-D342 PolarHBondContact O-N 2.94Å; A340-K343 PolarHBondContact O-N 3.01Å; A340-I344 WeakPolarHBondContact O-CD1 3.42Å; A340-I344 VanDerWaalsContact O-CG1 3.29Å; A340-I344 WeakPolarHBondContact O-CG1 3.3Å; A340-I344 PolarHBondContact O-N 2.84Å; A340-V351 HydrophobicContact CB-CG2 3.97Å; A340-I368 HydrophobicContact CB-CG2 4.03Å; A340-L372 HydrophobicContact CB-CD1 4.46Å; A340-L372 HydrophobicContact CB-CD2 4.35Å
341M98.9Very high98.8Very high0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-58.5-45176.5-177.960.98400111.7G337 Q338 K343 I344 R345 L372 L375 L376 A387G337-M341 WeakPolarHBondContact O-CB 3.34Å; G337-M341 PolarHBondContact O-N 3.41Å; Q338-M341 WeakPolarHBondContact O-CB 3.42Å; Q338-M341 PolarHBondContact O-N 3.45Å; Q338-M341 VanDerWaalsContact O-N 3.12Å; M341-K343 VanDerWaalsContact C-N 3.3Å; M341-K343 PolarHBondContact O-N 2.84Å; M341-I344 PolarHBondContact O-N 3.1Å; M341-I344 VanDerWaalsContact O-N 3.1Å; M341-R345 HydrophobicContact CG-CG 4.14Å; M341-R345 WeakPolarHBondContact O-CB 3.36Å; M341-R345 WeakPolarHBondContact O-CG 3.46Å; M341-R345 PolarHBondContact O-N 3.01Å; M341-R345 HydrophobicContact SD-CG 3.83Å; M341-L372 HydrophobicContact CB-CD1 4Å; M341-L372 HydrophobicContact CE-CD1 3.88Å; M341-L372 HydrophobicContact SD-CD1 4.36Å; M341-L375 HydrophobicContact CB-CD1 4.1Å; M341-L375 HydrophobicContact CE-CB 3.61Å; M341-L376 HydrophobicContact CE-CB 4.48Å; M341-L376 HydrophobicContact CE-CD2 3.76Å; M341-L376 HydrophobicContact CE-CG 3.86Å; M341-A387 HydrophobicContact SD-CB 4.16Å
342D98.9Very high98.8Very high52 Ų5211.4 Ų11.428%0.2787%0.065SC..Hα-helixtrans-58.9-42179.6-68-15.8000111.4Q338 A340 A346Q338-D342 PolarHBondContact NE2-OD1 3.36Å; Q338-D342 WeakPolarHBondContact O-CB 3.3Å; Q338-D342 PolarHBondContact O-N 3.15Å; A340-D342 PolarHBondContact O-N 2.94Å; D342-A346 WeakPolarHBondContact O-CB 3.39Å; D342-A346 PolarHBondContact O-N 3.33Å
343K98.9Very high98.9Very high0 Ų011.2 Ų11.20%06%0.061CC..Hα-helixtrans-69.3-39.6175.1-81.4179.2165.453.60112.3K308 S311 T312 G332 V334 D339 A340 M341 A346 G347 A348 V351K308-K343 PolarHBondContact O-NZ 3.47Å; S311-K343 WeakPolarHBondContact OG-CE 3.49Å; S311-K343 PolarHBondContact OG-NZ 2.62Å; T312-K343 HydrophobicContact CG2-CG 4.43Å; T312-K343 PolarHBondContact OG1-NZ 3.46Å; G332-K343 VanDerWaalsContact O-CE 3.23Å; G332-K343 WeakPolarHBondContact O-CE 3.3Å; G332-K343 PolarHBondContact O-NZ 3.11Å; V334-K343 HydrophobicContact CG2-CD 3.62Å; D339-K343 PolarHBondContact O-N 3.39Å; A340-K343 PolarHBondContact O-N 3.01Å; M341-K343 VanDerWaalsContact C-N 3.3Å; M341-K343 PolarHBondContact O-N 2.84Å; K343-A346 PolarHBondContact O-N 3.17Å; K343-G347 PolarHBondContact O-N 3.44Å; K343-A348 HydrophobicContact CB-CB 4.3Å; K343-A348 VanDerWaalsContact O-CB 3.26Å; K343-A348 WeakPolarHBondContact O-CB 3.42Å; K343-A348 PolarHBondContact O-N 2.9Å; K343-V351 HydrophobicContact CB-CG1 3.97Å; K343-V351 HydrophobicContact CD-CG1 4.5Å
344I98.9Very high98.9Very high1 Ų113.3 Ų13.31%0.0057%0.067CC..Hα-helixtrans-62.6-51.1177.9-71.8160.6000110.2A340 M341 A346 G347 A348 V351 L372 V384 A387 V388 G389A340-I344 WeakPolarHBondContact O-CD1 3.42Å; A340-I344 VanDerWaalsContact O-CG1 3.29Å; A340-I344 WeakPolarHBondContact O-CG1 3.3Å; A340-I344 PolarHBondContact O-N 2.84Å; M341-I344 PolarHBondContact O-N 3.1Å; M341-I344 VanDerWaalsContact O-N 3.1Å; I344-A346 VanDerWaalsContact C-N 3.26Å; I344-A346 PolarHBondContact O-N 3.07Å; I344-G347 WeakPolarHBondContact O-CA 3.42Å; I344-G347 PolarHBondContact O-N 2.85Å; I344-A348 VanDerWaalsContact CA-O 3.29Å; I344-A348 WeakPolarHBondContact CA-O 3.06Å; I344-A348 PolarHBondContact O-N 3.3Å; I344-V351 HydrophobicContact CG1-CG1 4.3Å; I344-L372 HydrophobicContact CD1-CD1 3.95Å; I344-L372 HydrophobicContact CD1-CD2 3.87Å; I344-V384 HydrophobicContact CD1-CG1 4Å; I344-V384 HydrophobicContact CG1-CG1 4.47Å; I344-V384 HydrophobicContact CG2-CG1 4.27Å; I344-A387 HydrophobicContact CG2-CB 3.73Å; I344-V388 HydrophobicContact CG2-CG2 4.16Å; I344-V388 WeakPolarHBondContact O-CA 3.46Å; I344-G389 PolarHBondContact O-N 3.19Å
345R98.9Very high98.9Very high30 Ų3013.8 Ų13.811%0.1137%0.07CC..Hα-helixtrans-61.8-32.4176.3-68.4-177.261.994.112.7113.3M341 G347 A387 G389 A390 D391 E394M341-R345 HydrophobicContact CG-CG 4.14Å; M341-R345 WeakPolarHBondContact O-CB 3.36Å; M341-R345 WeakPolarHBondContact O-CG 3.46Å; M341-R345 PolarHBondContact O-N 3.01Å; M341-R345 HydrophobicContact SD-CG 3.83Å; R345-G347 PolarHBondContact O-N 2.92Å; R345-A387 WeakPolarHBondContact CA-O 3.4Å; R345-G389 CarbonylContact O-C 3.54Å; R345-G389 WeakPolarHBondContact O-CA 3.48Å; R345-A390 HydrophobicContact CG-CB 4.35Å; R345-A390 PolarHBondContact O-N 3.2Å; R345-D391 IonicContact CZ-OD1 3.77Å; R345-D391 VanDerWaalsContact CZ-OD1 3.23Å; R345-D391 IonicContact NE-OD1 2.87Å; R345-D391 PolarHBondContact NE-OD1 3.3Å; R345-D391 IonicContact NH2-OD1 3.75Å; R345-D391 PolarHBondContact NH2-OD1 2.95Å; R345-D391 PolarHBondContact O-N 3.04Å; R345-E394 IonicContact CZ-OE1 2.71Å; R345-E394 IonicContact NH1-OE1 2.95Å; R345-E394 IonicContact NH2-OE1 3.3Å; R345-E394 PolarHBondContact NH2-OE1 3.07Å; R345-E394 IonicContact NH2-OE2 2.84Å
346A98.9Very high98.9Very high0 Ų013.9 Ų13.90%07%0.071CC..Hα-helixtrans-69.3-18.117200000113.7T312 V315 R316 D342 K343 I344 H392T312-A346 HydrophobicContact CG2-CB 3.93Å; V315-A346 HydrophobicContact CB-CB 4.41Å; V315-A346 HydrophobicContact CG1-CB 3.93Å; R316-A346 WeakPolarHBondContact CA-O 3.33Å; R316-A346 HydrophobicContact CB-CB 4.21Å; D342-A346 WeakPolarHBondContact O-CB 3.39Å; D342-A346 PolarHBondContact O-N 3.33Å; K343-A346 PolarHBondContact O-N 3.17Å; I344-A346 VanDerWaalsContact C-N 3.26Å; I344-A346 PolarHBondContact O-N 3.07Å; A346-H392 PolarHBondContact O-NE2 3.25Å
347G98.8Very high98.9Very high0 Ų013.1 Ų13.10%06%0.064CC..THydrogen-bonded Turntrans134.2-1.8175.300000116.1Y319 K343 I344 R345Y319-G347 VanDerWaalsContact CD2-O 3.31Å; Y319-G347 WeakPolarHBondContact CD2-O 3.27Å; K343-G347 PolarHBondContact O-N 3.44Å; I344-G347 WeakPolarHBondContact O-CA 3.42Å; I344-G347 PolarHBondContact O-N 2.85Å; R345-G347 PolarHBondContact O-N 2.92Å
348A98.9Very high98.8Very high0 Ų014.7 Ų14.70%07%0.074CC..EExtended strand (participates in β ladder)trans-75.3136.5178.100000111.9V315 I328 K343 I344V315-A348 HydrophobicContact CG1-CB 4.14Å; I328-A348 HydrophobicContact CG2-CB 4.34Å; I328-A348 CarbonylContact O-C 3.56Å; I328-A348 WeakPolarHBondContact O-CA 3.33Å; K343-A348 HydrophobicContact CB-CB 4.3Å; K343-A348 VanDerWaalsContact O-CB 3.26Å; K343-A348 WeakPolarHBondContact O-CB 3.42Å; K343-A348 PolarHBondContact O-N 2.9Å; I344-A348 VanDerWaalsContact CA-O 3.29Å; I344-A348 WeakPolarHBondContact CA-O 3.06Å; I344-A348 PolarHBondContact O-N 3.3Å
349S98.9Very high98.8Very high15 Ų1512.1 Ų12.111%0.1056%0.061CC..EExtended strand (participates in β ladder)trans-84.5-30.4171.5-50.80000112.1I328I328-S349 PolarHBondContact O-N 2.92Å
350L98.9Very high98.7Very high0 Ų013 Ų130%07%0.065CC..EExtended strand (participates in β ladder)trans-136.5161.8179.2-57.8170.9000109.3V79 V81 F82 F86 P89 F113 I328 I329 G330V79-L350 HydrophobicContact CB-CD2 3.99Å; V79-L350 HydrophobicContact CG1-CD2 4.08Å; V79-L350 HydrophobicContact CG2-CD2 4.3Å; V81-L350 HydrophobicContact CG1-CD1 3.84Å; V81-L350 HydrophobicContact CG1-CD2 4.42Å; V81-L350 HydrophobicContact CG1-CG 4.05Å; F82-L350 HydrophobicContact CE2-CD1 4.1Å; F86-L350 HydrophobicContact CB-CD2 3.99Å; F86-L350 HydrophobicContact CD1-CD1 3.76Å; F86-L350 HydrophobicContact CD1-CD2 4.09Å; F86-L350 HydrophobicContact CD2-CD1 4Å; F86-L350 HydrophobicContact CD2-CD2 4.18Å; F86-L350 HydrophobicContact CE1-CD1 3.51Å; F86-L350 HydrophobicContact CE2-CD1 3.75Å; F86-L350 HydrophobicContact CG-CD1 4.01Å; F86-L350 HydrophobicContact CG-CD2 3.83Å; F86-L350 HydrophobicContact CZ-CD1 3.51Å; P89-L350 HydrophobicContact CB-CD2 4.02Å; F113-L350 HydrophobicContact CE1-CB 3.98Å; F113-L350 HydrophobicContact CE1-CD1 4.16Å; F113-L350 HydrophobicContact CE1-CD2 4.41Å; F113-L350 HydrophobicContact CE1-CG 4.43Å; F113-L350 HydrophobicContact CZ-CB 3.92Å; F113-L350 HydrophobicContact CZ-CD1 4.18Å; I328-L350 PolarHBondContact O-N 3.35Å; I329-L350 CarbonylContact C-O 3.5Å; I329-L350 WeakPolarHBondContact CA-O 3.34Å; I329-L350 HydrophobicContact CD1-CD1 4.17Å; I329-L350 HydrophobicContact CG1-CB 4.21Å; I329-L350 HydrophobicContact CG1-CD1 4.25Å; I329-L350 HydrophobicContact CG2-CB 4.28Å; G330-L350 PolarHBondContact N-O 2.97Å
351V98.9Very high98.7Very high0 Ų013 Ų130%07%0.065CC..EExtended strand (participates in β ladder)trans-128.5151173.6-62.30000111.9P89 V90 G91 F113 G330 V334 A340 K343 I344P89-V351 PolarHBondContact O-N 3.31Å; P89-V351 VanDerWaalsContact O-O 3.09Å; V90-V351 HydrophobicContact CG2-CG2 4.14Å; G91-V351 PolarHBondContact N-O 3.31Å; F113-V351 WeakPolarHBondContact CZ-O 3.11Å; G330-V351 CarbonylContact O-C 3.57Å; G330-V351 WeakPolarHBondContact O-CA 3.34Å; V334-V351 HydrophobicContact CG1-CG2 4.49Å; V334-V351 HydrophobicContact CG2-CB 4.49Å; A340-V351 HydrophobicContact CB-CG2 3.97Å; K343-V351 HydrophobicContact CB-CG1 3.97Å; K343-V351 HydrophobicContact CD-CG1 4.5Å; I344-V351 HydrophobicContact CG1-CG1 4.3Å
352Q98.9Very high98.7Very high0 Ų014.3 Ų14.30%07%0.074CC..EExtended strand (participates in β ladder)trans-123149.3168-61174.7-28.900112.2G91 A93 F113 E115 M279 I329 G330 I331G91-Q352 VanDerWaalsContact O-CA 3.23Å; G91-Q352 WeakPolarHBondContact O-CA 3.25Å; A93-Q352 HydrophobicContact CB-CB 3.81Å; F113-Q352 HydrophobicContact CE2-CG 3.63Å; F113-Q352 VanDerWaalsContact CE2-NE2 3.32Å; F113-Q352 HydrophobicContact CZ-CG 3.56Å; E115-Q352 PolarHBondContact OE2-NE2 3.47Å; M279-Q352 VanDerWaalsContact CE-OE1 3.32Å; I329-Q352 HydrophobicContact CG2-CG 3.81Å; G330-Q352 PolarHBondContact O-N 3.12Å; I331-Q352 HydrophobicContact CG1-CB 4.06Å; I331-Q352 HydrophobicContact CG1-CG 4.41Å; I331-Q352 HydrophobicContact CG2-CB 4.23Å
353L98.8Very high98.6Very high4 Ų412.3 Ų12.32%0.0216%0.064CC..EExtended strand (participates in β ladder)trans-122.3158.2171.468.488000111.4V90 G91 I92 A93 F111 V334 L357 V364 I368V90-L353 HydrophobicContact CG1-CD2 3.91Å; G91-L353 PolarHBondContact O-N 2.97Å; I92-L353 WeakPolarHBondContact CD1-O 3.31Å; A93-L353 PolarHBondContact N-O 3.19Å; A93-L353 VanDerWaalsContact N-O 3.11Å; F111-L353 HydrophobicContact CE1-CD1 3.96Å; F111-L353 HydrophobicContact CE1-CD2 4.11Å; F111-L353 HydrophobicContact CE1-CG 3.88Å; F111-L353 HydrophobicContact CZ-CD1 3.9Å; F111-L353 HydrophobicContact CZ-CG 4.36Å; V334-L353 HydrophobicContact CB-CB 4.38Å; L353-L357 HydrophobicContact CD1-CB 3.78Å; L353-V364 HydrophobicContact CD1-CG1 4.48Å; L353-I368 HydrophobicContact CD2-CD1 3.38Å
354Y98.7Very high98.6Very high54 Ų5412.4 Ų12.421%0.2127%0.065CC..SBendtrans-145.8-66.3168.7-172.6-18.2000109H54 G95 F96 A356 L357 T358H54-Y354 PolarHBondContact CE1-OH 3.19Å; H54-Y354 PolarHBondContact ND1-OH 3.31Å; G95-Y354 WeakPolarHBondContact O-CE2 3.44Å; G95-Y354 PolarHBondContact O-OH 3.5Å; F96-Y354 HydrophobicContact CB-CD2 4.45Å; F96-Y354 HydrophobicContact CB-CE1 4.31Å; F96-Y354 HydrophobicContact CB-CE2 4.15Å; F96-Y354 HydrophobicContact CD2-CD1 4.11Å; F96-Y354 AromaticContact CD2-CE1 3.67Å; F96-Y354 HydrophobicContact CD2-CE1 3.67Å; F96-Y354 HydrophobicContact CG-CE1 4.49Å; Y354-A356 PolarHBondContact O-N 3.07Å; Y354-A356 VanDerWaalsContact O-N 3.11Å; Y354-L357 VanDerWaalsContact O-CB 3.26Å; Y354-L357 WeakPolarHBondContact O-CB 3.26Å; Y354-L357 PolarHBondContact O-N 2.66Å; Y354-T358 HydrophobicContact CD1-CG2 3.96Å; Y354-T358 HydrophobicContact CE1-CG2 3.88Å; Y354-T358 PolarHBondContact O-N 3.41Å
355T98.8Very high98.6Very high13 Ų1312.4 Ų12.48%0.086%0.064CC..Hα-helixtrans-56.4-35.9-173.5-47.20000113.1V141 S303 G304 L357 T358 Y359V141-T355 HydrophobicContact CB-CG2 4.4Å; V141-T355 HydrophobicContact CG2-CG2 3.95Å; S303-T355 WeakPolarHBondContact CB-OG1 3.26Å; S303-T355 PolarHBondContact OG-OG1 3.48Å; G304-T355 PolarHBondContact N-OG1 3.49Å; T355-L357 VanDerWaalsContact C-N 3.31Å; T355-L357 PolarHBondContact O-N 2.94Å; T355-T358 PolarHBondContact O-N 2.96Å; T355-T358 VanDerWaalsContact O-N 3.09Å; T355-T358 PolarHBondContact O-OG1 3.49Å; T355-Y359 HydrophobicContact CG2-CD2 3.82Å; T355-Y359 HydrophobicContact CG2-CE2 3.71Å; T355-Y359 WeakPolarHBondContact O-CD2 3.09Å; T355-Y359 PolarHBondContact O-N 3.44Å
356A98.6Very high98.6Very high9 Ų912 Ų127%0.0747%0.065CC..Hα-helixtrans-60.1-38.5175.200000112.9V334 A335 Y354 T358 Y359 Q360 V364V334-A356 VanDerWaalsContact O-CB 3.28Å; V334-A356 WeakPolarHBondContact O-CB 3.38Å; A335-A356 HydrophobicContact CB-CB 3.72Å; Y354-A356 PolarHBondContact O-N 3.07Å; Y354-A356 VanDerWaalsContact O-N 3.11Å; A356-T358 VanDerWaalsContact C-N 3.27Å; A356-T358 PolarHBondContact O-N 3.08Å; A356-Y359 PolarHBondContact O-N 3.41Å; A356-Q360 WeakPolarHBondContact O-CB 3.39Å; A356-Q360 PolarHBondContact O-N 3.31Å; A356-V364 HydrophobicContact CB-CG2 4.26Å
357L98.6Very high98.5Very high9 Ų914 Ų145%0.0477%0.074CC..Hα-helixtrans-62-36.7175.3-177.764.6000111.4I92 F96 F111 L353 Y354 T355 Y359 G361 V364I92-L357 HydrophobicContact CD1-CD2 4.08Å; F96-L357 HydrophobicContact CD2-CD2 4.15Å; F96-L357 HydrophobicContact CE2-CD2 3.74Å; F96-L357 HydrophobicContact CZ-CD2 4.02Å; F111-L357 HydrophobicContact CZ-CD2 4.42Å; L353-L357 HydrophobicContact CD1-CB 3.78Å; Y354-L357 VanDerWaalsContact O-CB 3.26Å; Y354-L357 WeakPolarHBondContact O-CB 3.26Å; Y354-L357 PolarHBondContact O-N 2.66Å; T355-L357 VanDerWaalsContact C-N 3.31Å; T355-L357 PolarHBondContact O-N 2.94Å; L357-Y359 VanDerWaalsContact C-N 3.28Å; L357-Y359 PolarHBondContact O-N 3.21Å; L357-G361 VanDerWaalsContact O-CA 3.27Å; L357-G361 WeakPolarHBondContact O-CA 3.46Å; L357-G361 PolarHBondContact O-N 3.08Å; L357-V364 HydrophobicContact CD1-CG1 4.31Å
358T97.8Very high98.5Very high34 Ų3414 Ų1421%0.2097%0.074CC..Hα-helixtrans-72.5-21.9179.972.60000113.3M41 Q45 Y354 T355 A356M41-T358 WeakPolarHBondContact CE-O 3.44Å; Q45-T358 PolarHBondContact NE2-O 3.46Å; Y354-T358 HydrophobicContact CD1-CG2 3.96Å; Y354-T358 HydrophobicContact CE1-CG2 3.88Å; Y354-T358 PolarHBondContact O-N 3.41Å; T355-T358 PolarHBondContact O-N 2.96Å; T355-T358 VanDerWaalsContact O-N 3.09Å; T355-T358 PolarHBondContact O-OG1 3.49Å; A356-T358 VanDerWaalsContact C-N 3.27Å; A356-T358 PolarHBondContact O-N 3.08Å
359Y98.3Very high98.5Very high23 Ų2314.1 Ų14.19%0.097%0.074CC..Hα-helixtrans-99.5-46.9179.8-79.6-72.2000113.6M41 L135 P136 Q139 A140 V141 T355 A356 L357M41-Y359 WeakPolarHBondContact CB-O 3.48Å; L135-Y359 VanDerWaalsContact C-OH 3.27Å; L135-Y359 PolarHBondContact N-OH 3.45Å; L135-Y359 PolarHBondContact O-OH 2.99Å; P136-Y359 HydrophobicContact CB-CE1 4.3Å; Q139-Y359 VanDerWaalsContact C-CE2 3.42Å; A140-Y359 PolarHBondContact O-OH 2.97Å; V141-Y359 HydrophobicContact CG2-CE2 4.25Å; T355-Y359 HydrophobicContact CG2-CD2 3.82Å; T355-Y359 HydrophobicContact CG2-CE2 3.71Å; T355-Y359 WeakPolarHBondContact O-CD2 3.09Å; T355-Y359 PolarHBondContact O-N 3.44Å; A356-Y359 PolarHBondContact O-N 3.41Å; L357-Y359 VanDerWaalsContact C-N 3.28Å; L357-Y359 PolarHBondContact O-N 3.21Å
360Q98.2Very high98.5Very high28 Ų2818.1 Ų18.113%0.1319%0.087CC..Hα-helixtrans-96.8-9.4-173.7-63.5-178.354.200112.9Y36 A37 A335 A356 V364 K367Y36-Q360 WeakPolarHBondContact CB-O 3.07Å; A37-Q360 HydrophobicContact CB-CB 4.44Å; A37-Q360 HydrophobicContact CB-CG 4.46Å; A335-Q360 PolarHBondContact O-NE2 3.07Å; A356-Q360 WeakPolarHBondContact O-CB 3.39Å; A356-Q360 PolarHBondContact O-N 3.31Å; Q360-V364 HydrophobicContact CB-CB 3.8Å; Q360-V364 HydrophobicContact CB-CG2 3.85Å; Q360-V364 HydrophobicContact CG-CG2 4.31Å; Q360-K367 VanDerWaalsContact OE1-NZ 3.09Å
361G97.9Very high98.5Very high1 Ų120.8 Ų20.81%0.0110%0.1CC..  trans73.4-179.4-178.800000113.4L357 V364L357-G361 VanDerWaalsContact O-CA 3.27Å; L357-G361 WeakPolarHBondContact O-CA 3.46Å; L357-G361 PolarHBondContact O-N 3.08Å; G361-V364 WeakPolarHBondContact O-CB 3.26Å; G361-V364 WeakPolarHBondContact O-CG1 3.45Å; G361-V364 PolarHBondContact O-N 2.96Å
362P98.1Very high98.5Very high27 Ų2720.8 Ų20.818%0.17510%0.1CC..THydrogen-bonded Turntrans-54.8-35.6-173.3-23.932.2000117.1Y36 P67 L109 V364 V365Y36-P362 HydrophobicContact CE1-CG 4.4Å; P67-P362 HydrophobicContact CG-CB 4.08Å; P67-P362 HydrophobicContact CG-CG 4.21Å; L109-P362 HydrophobicContact CD1-CB 4.14Å; L109-P362 HydrophobicContact CD2-CB 3.56Å; L109-P362 HydrophobicContact CD2-CG 4.33Å; L109-P362 HydrophobicContact CG-CB 4.44Å; P362-V364 PolarHBondContact O-N 3.02Å; P362-V365 PolarHBondContact O-N 2.89Å
363P98.3Very high98.5Very high10 Ų1022.6 Ų22.67%0.06511%0.108CC..THydrogen-bonded Turntrans-58.9-18.9179.6-28.438.1000115.3G31 E33 Y36 V365 T366 K367G31-P363 WeakPolarHBondContact O-CB 3.44Å; G31-P363 WeakPolarHBondContact O-CG 3.45Å; E33-P363 HydrophobicContact CB-CB 4.29Å; E33-P363 HydrophobicContact CG-CB 3.56Å; Y36-P363 HydrophobicContact CD1-CG 4.46Å; Y36-P363 HydrophobicContact CD2-CG 3.58Å; Y36-P363 HydrophobicContact CE2-CG 4.06Å; Y36-P363 HydrophobicContact CG-CG 3.8Å; P363-V365 PolarHBondContact O-N 3.45Å; P363-V365 VanDerWaalsContact O-N 3.13Å; P363-T366 PolarHBondContact O-N 3.43Å; P363-K367 PolarHBondContact O-N 2.99Å
364V98.6Very high98.5Very high3 Ų327 Ų272%0.01813%0.129CC..Hα-helixtrans-56.4-30.1178.676.50000113.2L353 A356 L357 Q360 G361 P362 K367 I368L353-V364 HydrophobicContact CD1-CG1 4.48Å; A356-V364 HydrophobicContact CB-CG2 4.26Å; L357-V364 HydrophobicContact CD1-CG1 4.31Å; Q360-V364 HydrophobicContact CB-CB 3.8Å; Q360-V364 HydrophobicContact CB-CG2 3.85Å; Q360-V364 HydrophobicContact CG-CG2 4.31Å; G361-V364 WeakPolarHBondContact O-CB 3.26Å; G361-V364 WeakPolarHBondContact O-CG1 3.45Å; G361-V364 PolarHBondContact O-N 2.96Å; P362-V364 PolarHBondContact O-N 3.02Å; V364-K367 PolarHBondContact O-N 2.52Å; V364-I368 HydrophobicContact CG2-CD1 3.96Å; V364-I368 HydrophobicContact CG2-CG1 4.39Å; V364-I368 VanDerWaalsContact O-CG1 3.28Å; V364-I368 WeakPolarHBondContact O-CG1 3.23Å; V364-I368 PolarHBondContact O-N 2.85Å
365V98.6Very high98.5Very high0 Ų025.9 Ų25.90%013%0.126CC..Hα-helixtrans-65.3-50.2-179.4-174.30000110.3F111 P362 P363 I368 K369F111-V365 HydrophobicContact CD1-CG1 3.86Å; F111-V365 HydrophobicContact CD1-CG2 4.21Å; F111-V365 HydrophobicContact CD2-CG2 4.32Å; F111-V365 HydrophobicContact CE1-CB 4.45Å; F111-V365 HydrophobicContact CE1-CG1 4.01Å; F111-V365 HydrophobicContact CE1-CG2 3.59Å; F111-V365 HydrophobicContact CE2-CG2 3.71Å; F111-V365 HydrophobicContact CG-CG1 4.19Å; F111-V365 HydrophobicContact CZ-CG1 4.45Å; F111-V365 HydrophobicContact CZ-CG2 3.3Å; P362-V365 PolarHBondContact O-N 2.89Å; P363-V365 PolarHBondContact O-N 3.45Å; P363-V365 VanDerWaalsContact O-N 3.13Å; V365-I368 PolarHBondContact O-N 2.94Å; V365-K369 WeakPolarHBondContact O-CG 3.39Å; V365-K369 PolarHBondContact O-N 2.93Å
366T98.1Very high98.5Very high22 Ų2225.4 Ų25.414%0.13512%0.123CC..Hα-helixtrans-65.5-40.5177-66.90000111.6N69 Y71 P363 I368 K369 R370N69-T366 PolarHBondContact ND2-OG1 3.46Å; N69-T366 PolarHBondContact OD1-OG1 2.66Å; Y71-T366 HydrophobicContact CD2-CG2 3.82Å; Y71-T366 HydrophobicContact CG-CG2 3.72Å; P363-T366 PolarHBondContact O-N 3.43Å; T366-I368 PolarHBondContact O-N 3.43Å; T366-K369 PolarHBondContact O-N 2.91Å; T366-R370 WeakPolarHBondContact O-CB 3.46Å; T366-R370 PolarHBondContact O-N 3.1Å
367K98.6Very high98.5Very high43 Ų4330.5 Ų30.519%0.18714%0.144CC..Hα-helixtrans-53.4-53.2174.7177.6-170.9166-163.50111.6Q360 P363 V364 K369 R370 E371Q360-K367 VanDerWaalsContact OE1-NZ 3.09Å; P363-K367 PolarHBondContact O-N 2.99Å; V364-K367 PolarHBondContact O-N 2.52Å; K367-K369 VanDerWaalsContact C-N 3.34Å; K367-K369 PolarHBondContact O-N 2.99Å; K367-R370 PolarHBondContact O-N 2.88Å; K367-E371 WeakPolarHBondContact CE-OE1 3.1Å; K367-E371 HydrophobicContact CG-CG 4.44Å; K367-E371 VanDerWaalsContact CG-OE1 3.29Å; K367-E371 WeakPolarHBondContact CG-OE1 3.48Å; K367-E371 WeakPolarHBondContact O-CB 3.25Å; K367-E371 WeakPolarHBondContact O-CG 3.25Å; K367-E371 PolarHBondContact O-N 3.34Å
368I98.8Very high98.5Very high0 Ų035.3 Ų35.30%017%0.17CC..Hα-helixtrans-60.8-43.6-178.5-70.1165.6000111V90 V334 A340 L353 V364 V365 T366 E371 L372V90-I368 HydrophobicContact CG1-CG2 4.49Å; V90-I368 HydrophobicContact CG2-CG2 3.95Å; V334-I368 HydrophobicContact CG1-CD1 4.36Å; A340-I368 HydrophobicContact CB-CG2 4.03Å; L353-I368 HydrophobicContact CD2-CD1 3.38Å; V364-I368 HydrophobicContact CG2-CD1 3.96Å; V364-I368 HydrophobicContact CG2-CG1 4.39Å; V364-I368 VanDerWaalsContact O-CG1 3.28Å; V364-I368 WeakPolarHBondContact O-CG1 3.23Å; V364-I368 PolarHBondContact O-N 2.85Å; V365-I368 PolarHBondContact O-N 2.94Å; T366-I368 PolarHBondContact O-N 3.43Å; I368-E371 PolarHBondContact O-N 3.35Å; I368-L372 WeakPolarHBondContact O-CB 3.34Å; I368-L372 PolarHBondContact O-N 2.82Å
369K98.8Very high98.5Very high1 Ų137 Ų370%0.00418%0.175CC..Hα-helixtrans-63.1-45.5179-69-171.5-53.8178.20112.4Y71 D73 L77 N88 V90 G110 V365 T366 K367 L372 E373Y71-K369 HydrophobicContact CE1-CB 3.84Å; Y71-K369 HydrophobicContact CE1-CD 4.48Å; D73-K369 WeakPolarHBondContact OD1-CD 3.38Å; D73-K369 VanDerWaalsContact OD1-CE 3.23Å; D73-K369 WeakPolarHBondContact OD1-CE 3.35Å; D73-K369 IonicContact OD1-NZ 3.83Å; D73-K369 PolarHBondContact OD1-NZ 3.21Å; D73-K369 IonicContact OD2-NZ 3.52Å; L77-K369 HydrophobicContact CD1-CB 3.82Å; L77-K369 HydrophobicContact CD1-CG 4.26Å; N88-K369 HydrophobicContact CB-CD 3.86Å; N88-K369 VanDerWaalsContact CG-CD 3.43Å; V90-K369 HydrophobicContact CB-CG 4.3Å; V90-K369 HydrophobicContact CG2-CG 3.88Å; G110-K369 PolarHBondContact O-NZ 2.78Å; V365-K369 WeakPolarHBondContact O-CG 3.39Å; V365-K369 PolarHBondContact O-N 2.93Å; T366-K369 PolarHBondContact O-N 2.91Å; K367-K369 VanDerWaalsContact C-N 3.34Å; K367-K369 PolarHBondContact O-N 2.99Å; K369-L372 PolarHBondContact O-N 3.48Å; K369-E373 PolarHBondContact O-N 3.03Å
370R98.6Very high98.4Very high99 Ų9939 Ų3937%0.37420%0.203SC..Hα-helixtrans-62.3-47177.2-179.6-172.964-128.4-4111.6E33 Y71 T366 K367 E373 Q374E33-R370 IonicContact OE1-CZ 2.73Å; E33-R370 IonicContact OE1-NH1 3.79Å; E33-R370 PolarHBondContact OE1-NH1 3.5Å; E33-R370 IonicContact OE1-NH2 2.79Å; E33-R370 PolarHBondContact OE1-NH2 2.77Å; E33-R370 IonicContact OE2-CZ 2.67Å; E33-R370 IonicContact OE2-NH1 2.66Å; E33-R370 IonicContact OE2-NH2 3.73Å; E33-R370 PolarHBondContact OE2-NH2 3.45Å; Y71-R370 HydrophobicContact CE2-CB 3.9Å; Y71-R370 HydrophobicContact CE2-CG 4.42Å; Y71-R370 WeakPolarHBondContact OH-CA 3.44Å; T366-R370 WeakPolarHBondContact O-CB 3.46Å; T366-R370 PolarHBondContact O-N 3.1Å; K367-R370 PolarHBondContact O-N 2.88Å; R370-E373 PolarHBondContact O-N 2.92Å; R370-Q374 PolarHBondContact O-N 3.27Å; R370-Q374 VanDerWaalsContact O-N 3.12Å
371E98.8Very high98.4Very high57 Ų5739.3 Ų39.327%0.26620%0.204SC..Hα-helixtrans-63.9-41.9178.2-72.8171.5177.800111.3S336 G337 K367 I368 Q374 L375S336-E371 WeakPolarHBondContact CA-OE2 3.3Å; G337-E371 PolarHBondContact N-OE2 3.36Å; K367-E371 WeakPolarHBondContact CE-OE1 3.1Å; K367-E371 HydrophobicContact CG-CG 4.44Å; K367-E371 VanDerWaalsContact CG-OE1 3.29Å; K367-E371 WeakPolarHBondContact CG-OE1 3.48Å; K367-E371 WeakPolarHBondContact O-CB 3.25Å; K367-E371 WeakPolarHBondContact O-CG 3.25Å; K367-E371 PolarHBondContact O-N 3.34Å; I368-E371 PolarHBondContact O-N 3.35Å; E371-Q374 PolarHBondContact O-N 3.4Å; E371-L375 VanDerWaalsContact O-CG 3.31Å; E371-L375 WeakPolarHBondContact O-CG 3.17Å; E371-L375 PolarHBondContact O-N 3.24Å
372L98.9Very high98.4Very high0 Ų042.8 Ų42.80%023%0.228CC..Hα-helixtrans-63.8-43.4177.2-179.961.3000112L77 P89 A340 M341 I344 I368 K369 Q374 L375 L376 V384L77-L372 HydrophobicContact CD2-CB 4.42Å; L77-L372 HydrophobicContact CD2-CD2 3.97Å; L77-L372 HydrophobicContact CD2-CG 4.01Å; P89-L372 HydrophobicContact CG-CD2 3.59Å; A340-L372 HydrophobicContact CB-CD1 4.46Å; A340-L372 HydrophobicContact CB-CD2 4.35Å; M341-L372 HydrophobicContact CB-CD1 4Å; M341-L372 HydrophobicContact CE-CD1 3.88Å; M341-L372 HydrophobicContact SD-CD1 4.36Å; I344-L372 HydrophobicContact CD1-CD1 3.95Å; I344-L372 HydrophobicContact CD1-CD2 3.87Å; I368-L372 WeakPolarHBondContact O-CB 3.34Å; I368-L372 PolarHBondContact O-N 2.82Å; K369-L372 PolarHBondContact O-N 3.48Å; L372-Q374 VanDerWaalsContact C-N 3.3Å; L372-Q374 PolarHBondContact O-N 2.99Å; L372-L375 PolarHBondContact O-N 3.25Å; L372-L376 HydrophobicContact CG-CD1 4.49Å; L372-L376 WeakPolarHBondContact O-CG 3.24Å; L372-L376 PolarHBondContact O-N 3.32Å; L372-V384 HydrophobicContact CD2-CG2 4.39Å
373E98.6Very high98.4Very high38 Ų3843 Ų4318%0.17823%0.229CC..Hα-helixtrans-57.4-45.1174.7-175.2-163.1172.400111.3Y71 P74 L77 K369 R370 L376 K377Y71-E373 PolarHBondContact OH-OE2 2.8Å; P74-E373 HydrophobicContact CG-CB 4.43Å; P74-E373 HydrophobicContact CG-CG 3.84Å; L77-E373 HydrophobicContact CD2-CB 4.42Å; K369-E373 PolarHBondContact O-N 3.03Å; R370-E373 PolarHBondContact O-N 2.92Å; E373-L376 PolarHBondContact O-N 3.17Å; E373-K377 PolarHBondContact O-N 3.33Å; E373-K377 WeakPolarHBondContact OE1-CE 3.11Å; E373-K377 IonicContact OE1-NZ 2.7Å; E373-K377 PolarHBondContact OE1-NZ 3.35Å
374Q98.6Very high98.5Very high97 Ų9742.5 Ų42.545%0.45323%0.226SC..Hα-helixtrans-64.3-44.8178.8-171.559.250.100111.3R370 E371 L372 L376 K377 D378R370-Q374 PolarHBondContact O-N 3.27Å; R370-Q374 VanDerWaalsContact O-N 3.12Å; E371-Q374 PolarHBondContact O-N 3.4Å; L372-Q374 VanDerWaalsContact C-N 3.3Å; L372-Q374 PolarHBondContact O-N 2.99Å; Q374-L376 VanDerWaalsContact C-N 3.3Å; Q374-L376 PolarHBondContact O-N 3.16Å; Q374-K377 WeakPolarHBondContact O-CB 3.43Å; Q374-K377 PolarHBondContact O-N 3.21Å; Q374-K377 VanDerWaalsContact O-N 3.14Å; Q374-D378 PolarHBondContact NE2-OD1 2.76Å; Q374-D378 PolarHBondContact O-N 3.44Å
375L98.8Very high98.4Very high30 Ų3045.2 Ų45.216%0.15725%0.245CC..Hα-helixtrans-62.6-34.6178-73.1167.6000113G337 Q338 M341 E371 L372 Q379G337-L375 VanDerWaalsContact C-CD1 3.44Å; Q338-L375 HydrophobicContact CB-CD1 4.2Å; M341-L375 HydrophobicContact CB-CD1 4.1Å; M341-L375 HydrophobicContact CE-CB 3.61Å; E371-L375 VanDerWaalsContact O-CG 3.31Å; E371-L375 WeakPolarHBondContact O-CG 3.17Å; E371-L375 PolarHBondContact O-N 3.24Å; L372-L375 PolarHBondContact O-N 3.25Å; L375-Q379 VanDerWaalsContact O-CB 3.31Å; L375-Q379 WeakPolarHBondContact O-CB 3.39Å; L375-Q379 VanDerWaalsContact O-CG 3.29Å; L375-Q379 WeakPolarHBondContact O-CG 3.44Å; L375-Q379 PolarHBondContact O-N 3.16Å
376L98.8Very high98.4Very high2 Ų249.4 Ų49.41%0.0127%0.265CS..Hα-helixtrans-60.2-48.7173.1-72.5165000110.5L77 M341 L372 E373 Q374 Q379 G380 F381 V384 A387L77-L376 HydrophobicContact CD2-CD1 3.95Å; M341-L376 HydrophobicContact CE-CB 4.48Å; M341-L376 HydrophobicContact CE-CD2 3.76Å; M341-L376 HydrophobicContact CE-CG 3.86Å; L372-L376 HydrophobicContact CG-CD1 4.49Å; L372-L376 WeakPolarHBondContact O-CG 3.24Å; L372-L376 PolarHBondContact O-N 3.32Å; E373-L376 PolarHBondContact O-N 3.17Å; Q374-L376 VanDerWaalsContact C-N 3.3Å; Q374-L376 PolarHBondContact O-N 3.16Å; L376-Q379 PolarHBondContact O-N 2.96Å; L376-G380 PolarHBondContact O-N 3.04Å; L376-G380 VanDerWaalsContact O-N 3.11Å; L376-F381 CarbonylContact C-O 3.56Å; L376-F381 HydrophobicContact CB-CB 4.32Å; L376-F381 HydrophobicContact CD2-CB 3.7Å; L376-F381 HydrophobicContact CD2-CD2 4.24Å; L376-F381 HydrophobicContact CD2-CG 4.3Å; L376-F381 PolarHBondContact O-N 2.89Å; L376-V384 HydrophobicContact CD1-CG2 3.73Å; L376-A387 HydrophobicContact CD2-CB 3.9Å
377K98.1Very high98.4Very high116 Ų11648.3 Ų48.350%0.50426%0.258SS..Hα-helixtrans-61.6-47.8178.2-65.9173.2-172.7167.20111.6E373 Q374 Q379 G380E373-K377 PolarHBondContact O-N 3.33Å; E373-K377 WeakPolarHBondContact OE1-CE 3.11Å; E373-K377 IonicContact OE1-NZ 2.7Å; E373-K377 PolarHBondContact OE1-NZ 3.35Å; Q374-K377 WeakPolarHBondContact O-CB 3.43Å; Q374-K377 PolarHBondContact O-N 3.21Å; Q374-K377 VanDerWaalsContact O-N 3.14Å; K377-Q379 VanDerWaalsContact C-N 3.26Å; K377-Q379 PolarHBondContact O-N 3.43Å; K377-G380 PolarHBondContact O-N 2.88Å; K377-G380 VanDerWaalsContact O-N 3.1Å
378D98.4Very high98.4Very high111 Ų11147.3 Ų47.359%0.59426%0.255SS*.Hα-helixtrans-64.6-31.5-177.1-64.9-14000112.2Q374Q374-D378 PolarHBondContact NE2-OD1 2.76Å; Q374-D378 PolarHBondContact O-N 3.44Å
379Q97.9Very high98.4Very high70 Ų7047.3 Ų47.333%0.32726%0.255SS..THydrogen-bonded Turntrans-92.63.6177.6-63.4-177.931.900113.6L375 L376 K377 F381L375-Q379 VanDerWaalsContact O-CB 3.31Å; L375-Q379 WeakPolarHBondContact O-CB 3.39Å; L375-Q379 VanDerWaalsContact O-CG 3.29Å; L375-Q379 WeakPolarHBondContact O-CG 3.44Å; L375-Q379 PolarHBondContact O-N 3.16Å; L376-Q379 PolarHBondContact O-N 2.96Å; K377-Q379 VanDerWaalsContact C-N 3.26Å; K377-Q379 PolarHBondContact O-N 3.43Å; Q379-F381 HydrophobicContact CB-CD2 3.78Å; Q379-F381 HydrophobicContact CB-CE2 3.79Å
380G97.6Very high98.4Very high65 Ų6547.4 Ų47.467%0.6726%0.256SS*.THydrogen-bonded Turntrans76.520.417600000115.3L376 K377L376-G380 PolarHBondContact O-N 3.04Å; L376-G380 VanDerWaalsContact O-N 3.11Å; K377-G380 PolarHBondContact O-N 2.88Å; K377-G380 VanDerWaalsContact O-N 3.1Å
381F98.3Very high98.4Very high34 Ų3444.5 Ų44.515%0.14925%0.249CC..  trans-91.1133.8172.2-61.3-63.8000110.9L376 Q379 E386 A387 A390L376-F381 CarbonylContact C-O 3.56Å; L376-F381 HydrophobicContact CB-CB 4.32Å; L376-F381 HydrophobicContact CD2-CB 3.7Å; L376-F381 HydrophobicContact CD2-CD2 4.24Å; L376-F381 HydrophobicContact CD2-CG 4.3Å; L376-F381 PolarHBondContact O-N 2.89Å; Q379-F381 HydrophobicContact CB-CD2 3.78Å; Q379-F381 HydrophobicContact CB-CE2 3.79Å; F381-E386 HydrophobicContact CB-CB 4.44Å; F381-E386 HydrophobicContact CD1-CB 3.82Å; F381-A387 HydrophobicContact CD1-CB 4.18Å; F381-A387 HydrophobicContact CD2-CB 3.71Å; F381-A387 HydrophobicContact CE1-CB 4.3Å; F381-A387 HydrophobicContact CE2-CB 3.84Å; F381-A387 HydrophobicContact CG-CB 3.89Å; F381-A387 HydrophobicContact CZ-CB 4.14Å; F381-A390 HydrophobicContact CE1-CB 4.25Å; F381-A390 HydrophobicContact CZ-CB 3.74Å
382S97.7Very high98.2Very high74 Ų7442.7 Ų42.752%0.51724%0.24SC..SBendtrans-76.7-28.8176.481.50000112.4S76 E386S76-S382 VanDerWaalsContact CB-O 3.31Å; S76-S382 WeakPolarHBondContact CB-O 3.35Å; S382-E386 PolarHBondContact N-OE2 2.7Å; S382-E386 PolarHBondContact OG-OE1 2.86Å; S382-E386 PolarHBondContact OG-OE2 3.39Å
383C98.3Very high97.9Very high30 Ų3047.3 Ų47.320%0.20326%0.257CS..SBendtrans-155.7165.8179.764.40000112.3S76 S385 E386S76-C383 CarbonylContact O-C 3.52Å; S76-C383 WeakPolarHBondContact O-CA 3.48Å; S76-C383 WeakPolarHBondContact O-CB 3.38Å; C383-S385 PolarHBondContact O-N 2.84Å; C383-E386 PolarHBondContact O-N 2.93Å; C383-E386 VanDerWaalsContact O-N 3.17Å
384V98.7Very high96.8Very high0 Ų049.4 Ų49.40%027%0.267CS..Hα-helixtrans-53-41.9178171.60000112S76 L77 V79 P89 I344 L372 L376 E386 A387 V388S76-V384 PolarHBondContact O-N 3.42Å; L77-V384 HydrophobicContact CD2-CG2 3.95Å; V79-V384 HydrophobicContact CG2-CB 3.76Å; V79-V384 HydrophobicContact CG2-CG1 3.54Å; V79-V384 HydrophobicContact CG2-CG2 4.46Å; P89-V384 HydrophobicContact CB-CG1 4.28Å; P89-V384 HydrophobicContact CG-CG1 4.48Å; P89-V384 HydrophobicContact CG-CG2 4Å; I344-V384 HydrophobicContact CD1-CG1 4Å; I344-V384 HydrophobicContact CG1-CG1 4.47Å; I344-V384 HydrophobicContact CG2-CG1 4.27Å; L372-V384 HydrophobicContact CD2-CG2 4.39Å; L376-V384 HydrophobicContact CD1-CG2 3.73Å; V384-E386 PolarHBondContact O-N 2.73Å; V384-A387 WeakPolarHBondContact O-CB 3.43Å; V384-A387 PolarHBondContact O-N 2.74Å; V384-V388 PolarHBondContact O-N 3.1Å
385S98.3Very high95.2Very high60 Ų6048 Ų4842%0.4227%0.268SS..Hα-helixtrans-58.3-32.7-177.2-58.10000113.2C383 A387C383-S385 PolarHBondContact O-N 2.84Å; S385-A387 VanDerWaalsContact C-N 3.34Å
386E98.2Very high93.4Very high88 Ų8853.3 Ų53.341%0.41129%0.292SS..Hα-helixtrans-73.2-27.1176.6-68.9178.7-179.400112.9F381 S382 C383 V384 R393F381-E386 HydrophobicContact CB-CB 4.44Å; F381-E386 HydrophobicContact CD1-CB 3.82Å; S382-E386 PolarHBondContact N-OE2 2.7Å; S382-E386 PolarHBondContact OG-OE1 2.86Å; S382-E386 PolarHBondContact OG-OE2 3.39Å; C383-E386 PolarHBondContact O-N 2.93Å; C383-E386 VanDerWaalsContact O-N 3.17Å; V384-E386 PolarHBondContact O-N 2.73Å; E386-R393 PolarHBondContact O-NH2 3.33Å
387A98.5Very high91.4Very high0 Ų063.8 Ų63.80%033%0.331CS..Hα-helixtrans-81-20.1178.800000112.7M341 I344 R345 L376 F381 V384 S385 G389 A390M341-A387 HydrophobicContact SD-CB 4.16Å; I344-A387 HydrophobicContact CG2-CB 3.73Å; R345-A387 WeakPolarHBondContact CA-O 3.4Å; L376-A387 HydrophobicContact CD2-CB 3.9Å; F381-A387 HydrophobicContact CD1-CB 4.18Å; F381-A387 HydrophobicContact CD2-CB 3.71Å; F381-A387 HydrophobicContact CE1-CB 4.3Å; F381-A387 HydrophobicContact CE2-CB 3.84Å; F381-A387 HydrophobicContact CG-CB 3.89Å; F381-A387 HydrophobicContact CZ-CB 4.14Å; V384-A387 WeakPolarHBondContact O-CB 3.43Å; V384-A387 PolarHBondContact O-N 2.74Å; S385-A387 VanDerWaalsContact C-N 3.34Å; A387-G389 PolarHBondContact O-N 3.21Å; A387-G389 VanDerWaalsContact O-N 3.11Å; A387-A390 WeakPolarHBondContact O-CB 3.05Å; A387-A390 PolarHBondContact O-N 3.4Å; A387-A390 VanDerWaalsContact O-N 3.07Å
388V98.7Very high89.1Confident21 Ų2166.9 Ų66.913%0.12735%0.345CS..THydrogen-bonded Turntrans-56.5118.5-178.5179.80000110.1Y319 I344 V384 A390 R393Y319-V388 HydrophobicContact CE2-CG1 4.44Å; I344-V388 HydrophobicContact CG2-CG2 4.16Å; I344-V388 WeakPolarHBondContact O-CA 3.46Å; V384-V388 PolarHBondContact O-N 3.1Å; V388-A390 VanDerWaalsContact C-N 3.26Å; V388-A390 PolarHBondContact O-N 3.48Å; V388-R393 PolarHBondContact O-NH1 2.79Å; V388-R393 PolarHBondContact O-NH2 2.83Å
389G98.4Very high86.7Confident0 Ų068.4 Ų68.40%036%0.364CS..THydrogen-bonded Turntrans68.516.7177.600000115.3I344 R345 A387 D391 H392 R393I344-G389 PolarHBondContact O-N 3.19Å; R345-G389 CarbonylContact O-C 3.54Å; R345-G389 WeakPolarHBondContact O-CA 3.48Å; A387-G389 PolarHBondContact O-N 3.21Å; A387-G389 VanDerWaalsContact O-N 3.11Å; G389-D391 PolarHBondContact O-N 3.19Å; G389-H392 PolarHBondContact O-N 2.9Å; G389-H392 VanDerWaalsContact O-N 3.09Å; G389-R393 PolarHBondContact O-NH1 2.84Å
390A98.2Very high86.2Confident3 Ų368.4 Ų68.43%0.02537%0.366CS..Hα-helixtrans-53.6-36.9-175.800000114.2R345 F381 A387 V388 H392 R393 E394R345-A390 HydrophobicContact CG-CB 4.35Å; R345-A390 PolarHBondContact O-N 3.2Å; F381-A390 HydrophobicContact CE1-CB 4.25Å; F381-A390 HydrophobicContact CZ-CB 3.74Å; A387-A390 WeakPolarHBondContact O-CB 3.05Å; A387-A390 PolarHBondContact O-N 3.4Å; A387-A390 VanDerWaalsContact O-N 3.07Å; V388-A390 VanDerWaalsContact C-N 3.26Å; V388-A390 PolarHBondContact O-N 3.48Å; A390-H392 PolarHBondContact O-N 2.84Å; A390-R393 VanDerWaalsContact CA-NH2 3.29Å; A390-R393 PolarHBondContact O-N 3.35Å; A390-E394 PolarHBondContact O-N 2.79Å
391D97.8Very high85.5Confident39 Ų3968.5 Ų68.521%0.20935%0.35CS..Hα-helixtrans-62.3-28-178.6-65.5-17.7000113.2R316 R345 G389 S395R316-D391 IonicContact CZ-OD2 3.14Å; R316-D391 VanDerWaalsContact CZ-OD2 3.3Å; R316-D391 IonicContact NH1-OD2 2.83Å; R316-D391 PolarHBondContact NH1-OD2 3.06Å; R316-D391 IonicContact NH2-OD2 3.4Å; R316-D391 PolarHBondContact NH2-OD2 2.72Å; R345-D391 IonicContact CZ-OD1 3.77Å; R345-D391 VanDerWaalsContact CZ-OD1 3.23Å; R345-D391 IonicContact NE-OD1 2.87Å; R345-D391 PolarHBondContact NE-OD1 3.3Å; R345-D391 IonicContact NH2-OD1 3.75Å; R345-D391 PolarHBondContact NH2-OD1 2.95Å; R345-D391 PolarHBondContact O-N 3.04Å; G389-D391 PolarHBondContact O-N 3.19Å; D391-S395 PolarHBondContact O-N 3.41Å; D391-S395 PolarHBondContact O-OG 3.25Å
392H96Very high84.8Confident19 Ų1970.4 Ų70.49%0.08836%0.361CS..Hα-helixtrans-79.5-28.9-178.6-56.8-82000112.2R316 Y319 N320 A346 G389 A390 S395 E396R316-H392 WeakPolarHBondContact CG-CE1 3.24Å; R316-H392 PolarHBondContact O-CE1 2.79Å; Y319-H392 AromaticContact CD1-CD2 3.35Å; Y319-H392 WeakPolarHBondContact CD1-CD2 3.29Å; Y319-H392 AromaticContact CD1-CE1 3.97Å; Y319-H392 AromaticContact CD1-CG 3.99Å; Y319-H392 AromaticContact CD1-NE2 3.35Å; Y319-H392 VanDerWaalsContact CD1-NE2 3.35Å; Y319-H392 WeakPolarHBondContact CD1-NE2 3.36Å; Y319-H392 HydrophobicContact CE1-CB 4.43Å; Y319-H392 AromaticContact CE1-CD2 3.57Å; Y319-H392 AromaticContact CG-NE2 3.97Å; N320-H392 PolarHBondContact ND2-CE1 3.33Å; N320-H392 VanDerWaalsContact ND2-CE1 3.3Å; N320-H392 PolarHBondContact ND2-ND1 2.78Å; N320-H392 PolarHBondContact OD1-CE1 3.49Å; N320-H392 PolarHBondContact OD1-ND1 2.7Å; A346-H392 PolarHBondContact O-NE2 3.25Å; G389-H392 PolarHBondContact O-N 2.9Å; G389-H392 VanDerWaalsContact O-N 3.09Å; A390-H392 PolarHBondContact O-N 2.84Å; H392-S395 PolarHBondContact O-OG 3.37Å; H392-E396 WeakPolarHBondContact O-CG 3.19Å
393R91.2Very high84.1Confident96 Ų9670.2 Ų70.236%0.36235%0.352SS..Hα-helixtrans-77.7-30.6175.2-61.9-174.1-67.4-847.8112.1E386 V388 G389 A390 R397E386-R393 PolarHBondContact O-NH2 3.33Å; V388-R393 PolarHBondContact O-NH1 2.79Å; V388-R393 PolarHBondContact O-NH2 2.83Å; G389-R393 PolarHBondContact O-NH1 2.84Å; A390-R393 VanDerWaalsContact CA-NH2 3.29Å; A390-R393 PolarHBondContact O-N 3.35Å; R393-R397 PolarHBondContact O-N 3.44Å
394E77.4Confident83.2Confident83 Ų8372.8 Ų72.839%0.38836%0.362SS..Hα-helixtrans-71.5-35.2176.5-73.2178.5-157.400112.2R345 A390 R397R345-E394 IonicContact CZ-OE1 2.71Å; R345-E394 IonicContact NH1-OE1 2.95Å; R345-E394 IonicContact NH2-OE1 3.3Å; R345-E394 PolarHBondContact NH2-OE1 3.07Å; R345-E394 IonicContact NH2-OE2 2.84Å; A390-E394 PolarHBondContact O-N 2.79Å; E394-R397 PolarHBondContact O-N 3.22Å
395S64.1Low82.2Confident66 Ų6677.6 Ų77.646%0.46239%0.386SS..Hα-helixtrans-64.8-40.9174.545.60000112.5D391 H392 R397 K398 S399D391-S395 PolarHBondContact O-N 3.41Å; D391-S395 PolarHBondContact O-OG 3.25Å; H392-S395 PolarHBondContact O-OG 3.37Å; S395-R397 VanDerWaalsContact C-N 3.25Å; S395-R397 PolarHBondContact O-N 3.5Å; S395-K398 PolarHBondContact O-N 2.73Å; S395-K398 VanDerWaalsContact O-N 3.16Å; S395-S399 PolarHBondContact O-N 3.47Å; S395-S399 VanDerWaalsContact O-N 3.13Å; S395-S399 PolarHBondContact O-OG 2.74Å
396E61.8Low81Confident143 Ų14378.9 Ų78.967%0.66838%0.383SS*.Hα-helixtrans-65.8-24.6178.8-71.1176.7170.700113.4H392 S399H392-E396 WeakPolarHBondContact O-CG 3.19Å; E396-S399 PolarHBondContact O-OG 2.99Å
397R55Low79.7Confident221 Ų22178.2 Ų78.283%0.83438%0.381SS*.THydrogen-bonded Turntrans-82.6-15.8176.5-71.7178.9180179.8-0113.6R393 E394 S395R393-R397 PolarHBondContact O-N 3.44Å; E394-R397 PolarHBondContact O-N 3.22Å; S395-R397 VanDerWaalsContact C-N 3.25Å; S395-R397 PolarHBondContact O-N 3.5Å
398K51.6Low78.1Confident182 Ų18284.7 Ų84.779%0.79141%0.413SS*.THydrogen-bonded Turntrans-104.9-18.7-177.4-71.1180179.6173.30113.1S395S395-K398 PolarHBondContact O-N 2.73Å; S395-K398 VanDerWaalsContact O-N 3.16Å
399S47.3Very low76.3Confident143 Ų14390.5 Ų90.5100%144%0.439SS*.  trans-85.1016759.20000110.8S395 E396S395-S399 PolarHBondContact O-N 3.47Å; S395-S399 VanDerWaalsContact O-N 3.13Å; S395-S399 PolarHBondContact O-OG 2.74Å; E396-S399 PolarHBondContact O-OG 2.99Å

Retrieved 399 of 399 residues in 78 ms (Link to these results)

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