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Antizyme inhibitor 1

Antizyme inhibitor (AZI) protein that positively regulates ornithine decarboxylase (ODC) activity and polyamine uptake. AZI is an enzymatically inactive ODC homolog that counteracts the negative effect of ODC antizymes (AZs) OAZ1, OAZ2 and OAZ3 on ODC activity by competing with ODC for antizyme-binding. Inhibits antizyme-dependent ODC degradation and releases ODC monomers from their inactive complex with antizymes, leading to formation of the catalytically active ODC homodimer and restoring polyamine production.

AlphaFold DB (A0A2K5N6V8), UniProt , Accession A0A096N329, Species PAPAN (Papio anubis, Olive baboon), Gene AZIN1, Length 448 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
1M30.5Very low54.5Low247 Ų247113.4 Ų113.4100%1.21761%0.611SS**  0124.50-77.1159.6-161.500106.7G3M1-G3 PolarHBondContact O-N 3.49Å
2K30.8Very low57.8Low187 Ų187103.9 Ų103.981%0.81356%0.56SS**  trans-73.2104.7167.1-77.4179.1171.4-172.70105.4F4K2-F4 HydrophobicContact CB-CE2 4.47Å; K2-F4 PolarHBondContact O-N 2.98Å
3G31.4Very low60.7Low67 Ų6796.8 Ų96.869%0.69153%0.527SS*.  trans-70.5108.5159.600000104.8M1 I5M1-G3 PolarHBondContact O-N 3.49Å; G3-I5 PolarHBondContact O-N 3.05Å
4F34.6Very low63Low172 Ų17290.2 Ų90.275%0.75449%0.491SS*.  trans-63.2129.5168.5-76.5-97.8000106.2K2 D6K2-F4 HydrophobicContact CB-CE2 4.47Å; K2-F4 PolarHBondContact O-N 2.98Å; F4-D6 PolarHBondContact O-N 3.35Å
5I45.8Very low65Low56 Ų5684.7 Ų84.729%0.28746%0.46SS..  trans-6098.9149.6-60.7177.2000103G3 D7 A8 L97 E100G3-I5 PolarHBondContact O-N 3.05Å; I5-D7 PolarHBondContact O-N 3.39Å; I5-A8 HydrophobicContact CG2-CB 4.4Å; I5-L97 HydrophobicContact CD1-CD1 4.2Å; I5-E100 HydrophobicContact CD1-CB 4.48Å; I5-E100 HydrophobicContact CD1-CG 3.82Å; I5-E100 WeakPolarHBondContact CD1-OE1 3.17Å
6D45.2Very low66.5Low138 Ų13884.9 Ų84.974%0.73846%0.461SS*.  trans-47.4138.4161-99.5-21.6000106.1F4 A8F4-D6 PolarHBondContact O-N 3.35Å; D6-A8 WeakPolarHBondContact O-CA 3.41Å; D6-A8 VanDerWaalsContact O-CB 3.32Å; D6-A8 WeakPolarHBondContact O-CB 3.36Å; D6-A8 PolarHBondContact O-N 2.84Å
7D47.7Very low67.2Low150 Ų15092.3 Ų92.380%0.80249%0.492SS*.  trans-49.787.9179.1-74.1-42000109.8I5 N9I5-D7 PolarHBondContact O-N 3.39Å; D7-N9 PolarHBondContact O-N 2.81Å
8A63.1Low68Low33 Ų3390.1 Ų90.127%0.27350%0.495SS..  trans-88.389.1-163.500000106.9I5 D6 Y10I5-A8 HydrophobicContact CG2-CB 4.4Å; D6-A8 WeakPolarHBondContact O-CA 3.41Å; D6-A8 VanDerWaalsContact O-CB 3.32Å; D6-A8 WeakPolarHBondContact O-CB 3.36Å; D6-A8 PolarHBondContact O-N 2.84Å; A8-Y10 HydrophobicContact CB-CE1 3.86Å; A8-Y10 PolarHBondContact O-N 3.17Å
9N86.4Confident69Low99 Ų9986.3 Ų86.353%0.52947%0.474SS..  trans-74.6115171.6-68.8-20000108.7D7 N428 F430D7-N9 PolarHBondContact O-N 2.81Å; N9-N428 CarbonylContact C-O 3.48Å; N9-N428 WeakPolarHBondContact CA-O 2.98Å; N9-F430 HydrophobicContact CB-CD2 3.59Å; N9-F430 HydrophobicContact CB-CE2 3.33Å; N9-F430 HydrophobicContact CB-CZ 4.25Å; N9-F430 WeakPolarHBondContact OD1-CE2 3.41Å
10Y91.2Very high70.1Confident21 Ų2186.6 Ų86.68%0.08248%0.475CS..EExtended strand (participates in β ladder)trans-87.8112.8177.3-41-67.4000109.7A8 P74 A75 E78 Y405 N428 F429 F430A8-Y10 HydrophobicContact CB-CE1 3.86Å; A8-Y10 PolarHBondContact O-N 3.17Å; Y10-P74 HydrophobicContact CE1-CB 4.35Å; Y10-P74 WeakPolarHBondContact OH-CB 3.47Å; Y10-A75 HydrophobicContact CD1-CB 3.91Å; Y10-A75 HydrophobicContact CD2-CB 4.07Å; Y10-A75 HydrophobicContact CE1-CB 4.07Å; Y10-A75 HydrophobicContact CE2-CB 4.22Å; Y10-A75 HydrophobicContact CG-CB 3.92Å; Y10-E78 WeakPolarHBondContact CE2-OE1 3.48Å; Y10-E78 WeakPolarHBondContact CE2-OE2 3.31Å; Y10-E78 PolarHBondContact OH-OE1 3.02Å; Y10-Y405 HydrophobicContact CD1-CE2 4.39Å; Y10-N428 HydrophobicContact CD2-CB 3.87Å; Y10-N428 HydrophobicContact CE2-CB 3.55Å; Y10-N428 PolarHBondContact N-O 2.83Å; Y10-F429 HydrophobicContact CD2-CD1 4.15Å; Y10-F429 HydrophobicContact CD2-CD2 4.17Å; Y10-F429 HydrophobicContact CD2-CE1 4.03Å; Y10-F429 HydrophobicContact CD2-CE2 4.05Å; Y10-F429 HydrophobicContact CD2-CG 4.23Å; Y10-F429 AromaticContact CD2-CZ 3.98Å; Y10-F429 HydrophobicContact CD2-CZ 3.98Å; Y10-F429 HydrophobicContact CE2-CE2 4.27Å; Y10-F429 HydrophobicContact CE2-CZ 4.36Å; Y10-F430 PolarHBondContact O-N 3.33Å
11S92.8Very high71.1Confident77 Ų7785.1 Ų85.154%0.53847%0.467SS..EExtended strand (participates in β ladder)trans-77.7123.2169.7-1740000109.5
12V94.4Very high74Confident0 Ų074.8 Ų74.80%042%0.423CS..EExtended strand (participates in β ladder)trans-116.1116.9177.3-1740000109L14 L45 Y405 M407 F429 F430 F431 V432V12-L14 PolarHBondContact O-N 3.21Å; V12-L45 HydrophobicContact CG1-CD1 4.33Å; V12-L45 HydrophobicContact CG2-CD1 3.87Å; V12-Y405 WeakPolarHBondContact CA-O 3.39Å; V12-M407 HydrophobicContact CG1-CB 3.88Å; V12-F429 HydrophobicContact CG2-CD1 3.88Å; V12-F430 PolarHBondContact N-O 3.04Å; V12-F431 HydrophobicContact CB-CD1 3.71Å; V12-F431 HydrophobicContact CB-CE1 4Å; V12-F431 HydrophobicContact CG1-CD1 3.87Å; V12-F431 HydrophobicContact CG1-CE1 3.99Å; V12-F431 HydrophobicContact CG2-CD1 4.24Å; V12-F431 HydrophobicContact CG2-CE1 4.08Å; V12-V432 PolarHBondContact O-N 2.99Å
13G94.5Very high77Confident12 Ų1267.5 Ų67.512%0.12439%0.393CS..EExtended strand (participates in β ladder)trans-75.2118.9175.600000111.4Y405 M406 M407 V432G13-Y405 PolarHBondContact N-O 2.94Å; G13-M406 WeakPolarHBondContact O-CA 3.28Å; G13-M407 PolarHBondContact O-N 3.1Å; G13-V432 WeakPolarHBondContact CA-O 3.49Å
14L93.6Very high80Confident4 Ų464.6 Ų64.62%0.02136%0.362CS..EExtended strand (participates in β ladder)trans-82.6121.1173.9-62.4179.9000110.3V12 M407 F409 W412 F431 V432 S434V12-L14 PolarHBondContact O-N 3.21Å; L14-M407 CarbonylContact C-O 3.6Å; L14-M407 VanDerWaalsContact CA-O 3.3Å; L14-M407 WeakPolarHBondContact CA-O 2.88Å; L14-M407 HydrophobicContact CD2-CB 4.29Å; L14-F409 HydrophobicContact CB-CD1 4.14Å; L14-F409 HydrophobicContact CB-CD2 4.19Å; L14-F409 HydrophobicContact CB-CE1 3.82Å; L14-F409 HydrophobicContact CB-CE2 3.86Å; L14-F409 HydrophobicContact CB-CG 4.31Å; L14-F409 HydrophobicContact CB-CZ 3.67Å; L14-F409 HydrophobicContact CD1-CD1 3.91Å; L14-F409 HydrophobicContact CD1-CE1 3.46Å; L14-F409 VanDerWaalsContact CD1-CE1 3.46Å; L14-F409 HydrophobicContact CD1-CZ 4.04Å; L14-F409 HydrophobicContact CG-CE1 4.28Å; L14-W412 HydrophobicContact CD1-CD2 3.91Å; L14-W412 HydrophobicContact CD1-CE3 4.13Å; L14-W412 HydrophobicContact CD1-CG 4.28Å; L14-W412 HydrophobicContact CD1-CH2 4.48Å; L14-W412 HydrophobicContact CD1-CZ2 4.25Å; L14-W412 HydrophobicContact CD1-CZ3 4.43Å; L14-W412 HydrophobicContact CD2-CB 3.73Å; L14-W412 HydrophobicContact CD2-CD2 4.27Å; L14-W412 HydrophobicContact CD2-CG 3.76Å; L14-F431 HydrophobicContact CD1-CB 4Å; L14-F431 HydrophobicContact CD2-CB 4.17Å; L14-F431 HydrophobicContact CD2-CD1 3.91Å; L14-F431 HydrophobicContact CD2-CG 4.47Å; L14-F431 HydrophobicContact CG-CB 4.1Å; L14-V432 PolarHBondContact N-O 3.14Å; L14-S434 VanDerWaalsContact O-CB 3.23Å; L14-S434 WeakPolarHBondContact O-CB 3.41Å; L14-S434 PolarHBondContact O-N 2.97Å
15L92.3Very high82.9Confident7 Ų756.9 Ų56.94%0.03733%0.329CS..EExtended strand (participates in β ladder)trans-94.5133.7179.7-55-166.3000111.7T19 V24 M406 M407 F409 I436L15-T19 HydrophobicContact CD1-CG2 4.45Å; L15-T19 HydrophobicContact CD2-CG2 4.02Å; L15-V24 HydrophobicContact CD1-CG2 3.71Å; L15-V24 HydrophobicContact CD2-CG2 3.73Å; L15-V24 HydrophobicContact CG-CG2 4.36Å; L15-M406 HydrophobicContact CD1-CE 3.2Å; L15-M406 HydrophobicContact CD1-SD 3.71Å; L15-M406 HydrophobicContact CG-CB 4.49Å; L15-M406 HydrophobicContact CG-CE 3.95Å; L15-M407 PolarHBondContact N-O 3.44Å; L15-F409 VanDerWaalsContact O-CD2 3.22Å; L15-F409 WeakPolarHBondContact O-CD2 3.43Å; L15-F409 PolarHBondContact O-N 2.67Å; L15-I436 HydrophobicContact CD2-CD1 4.15Å
16D89Confident85.2Confident88 Ų8857.9 Ų57.947%0.47134%0.335SS..PPolyproline II helixtrans-77.9172.1169.965.617.7000112.2G18 T19 F409D16-G18 PolarHBondContact O-N 3.08Å; D16-G18 VanDerWaalsContact O-N 3.11Å; D16-G18 PolarHBondContact OD1-N 3.4Å; D16-G18 VanDerWaalsContact OD1-N 3.13Å; D16-T19 PolarHBondContact O-N 3.34Å; D16-T19 VanDerWaalsContact OD1-CB 3.28Å; D16-T19 WeakPolarHBondContact OD1-CB 3.42Å; D16-T19 PolarHBondContact OD1-N 3.35Å; D16-T19 PolarHBondContact OD1-OG1 3.49Å; D16-F409 HydrophobicContact CB-CD2 4.33Å
17E79.6Confident87.5Confident211 Ų21153.9 Ų53.999%0.98631%0.313SS*.THydrogen-bonded Turntrans-63-16.4-179.7-68.4-167.1166.300113.8
18G81.5Confident89.8Confident53 Ų5349 Ų4955%0.54628%0.284SS..THydrogen-bonded Turntrans-90.9-13.4179.800000114.3D16D16-G18 PolarHBondContact O-N 3.08Å; D16-G18 VanDerWaalsContact O-N 3.11Å; D16-G18 PolarHBondContact OD1-N 3.4Å; D16-G18 VanDerWaalsContact OD1-N 3.13Å
19T87.4Confident91.4Very high17 Ų1747.8 Ų47.810%0.10427%0.273CS..  trans-112.1131-173.9-510000110.5L15 D16 N23 I436L15-T19 HydrophobicContact CD1-CG2 4.45Å; L15-T19 HydrophobicContact CD2-CG2 4.02Å; D16-T19 PolarHBondContact O-N 3.34Å; D16-T19 VanDerWaalsContact OD1-CB 3.28Å; D16-T19 WeakPolarHBondContact OD1-CB 3.42Å; D16-T19 PolarHBondContact OD1-N 3.35Å; D16-T19 PolarHBondContact OD1-OG1 3.49Å; T19-N23 HydrophobicContact CG2-CB 3.86Å; T19-I436 HydrophobicContact CG2-CB 4.45Å; T19-I436 HydrophobicContact CG2-CD1 3.75Å
20N90.1Very high91.8Very high92 Ų9250.7 Ų50.749%0.49228%0.278SS..  trans-120.6174.6178.163.954.8000112.4G22 N23 V24N20-G22 PolarHBondContact O-N 3.31Å; N20-G22 WeakPolarHBondContact OD1-CA 3.46Å; N20-G22 PolarHBondContact OD1-N 3.03Å; N20-N23 VanDerWaalsContact CG-OD1 3.31Å; N20-N23 PolarHBondContact N-OD1 3.15Å; N20-N23 PolarHBondContact ND2-OD1 3.23Å; N20-N23 WeakPolarHBondContact O-CB 3.4Å; N20-N23 PolarHBondContact O-N 3.49Å; N20-N23 PolarHBondContact OD1-N 3.27Å; N20-N23 VanDerWaalsContact OD1-N 3.16Å; N20-N23 PolarHBondContact OD1-OD1 3.02Å; N20-V24 PolarHBondContact O-N 3.33Å
21L91.1Very high91.9Very high56 Ų5654 Ų5429%0.29329%0.294SS..Hα-helixtrans-51.8-40.4178176.161.6000112.7N23 V24 I25 V42 M406L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 2.94Å; L21-V24 WeakPolarHBondContact O-CB 3.24Å; L21-V24 PolarHBondContact O-N 2.96Å; L21-V24 VanDerWaalsContact O-N 3.14Å; L21-I25 HydrophobicContact CD1-CD1 4.06Å; L21-I25 HydrophobicContact CD1-CG1 4.21Å; L21-I25 HydrophobicContact CD2-CD1 4.49Å; L21-I25 HydrophobicContact CG-CD1 3.87Å; L21-I25 HydrophobicContact CG-CG1 4.43Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 3.36Å; L21-V42 HydrophobicContact CD1-CB 4.03Å; L21-V42 HydrophobicContact CD1-CG1 3.52Å; L21-M406 HydrophobicContact CB-SD 4.45Å; L21-M406 HydrophobicContact CD1-SD 3.79Å
22G92.1Very high91.9Very high30 Ų3051 Ų5131%0.30927%0.272SS..Hα-helixtrans-58.7-42.9176.700000112.2N20 V24 I25 D26N20-G22 PolarHBondContact O-N 3.31Å; N20-G22 WeakPolarHBondContact OD1-CA 3.46Å; N20-G22 PolarHBondContact OD1-N 3.03Å; G22-V24 VanDerWaalsContact C-N 3.32Å; G22-V24 PolarHBondContact O-N 3.05Å; G22-I25 PolarHBondContact O-N 2.94Å; G22-D26 WeakPolarHBondContact O-CB 3.2Å; G22-D26 PolarHBondContact O-N 3.14Å
23N92.8Very high91.8Very high34 Ų3453.9 Ų53.918%0.18229%0.289CS..Hα-helixtrans-64.7-35.7176.2-55.1126.5000112.8T19 N20 L21 N27 L438T19-N23 HydrophobicContact CG2-CB 3.86Å; N20-N23 VanDerWaalsContact CG-OD1 3.31Å; N20-N23 PolarHBondContact N-OD1 3.15Å; N20-N23 PolarHBondContact ND2-OD1 3.23Å; N20-N23 WeakPolarHBondContact O-CB 3.4Å; N20-N23 PolarHBondContact O-N 3.49Å; N20-N23 PolarHBondContact OD1-N 3.27Å; N20-N23 VanDerWaalsContact OD1-N 3.16Å; N20-N23 PolarHBondContact OD1-OD1 3.02Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 2.94Å; N23-N27 WeakPolarHBondContact O-CB 3.3Å; N23-N27 PolarHBondContact O-N 3.48Å; N23-L438 HydrophobicContact CB-CD2 4.44Å
24V94.4Very high91.6Very high6 Ų659.1 Ų59.14%0.03631%0.314CS..Hα-helixtrans-66.1-46.3175.7-175.20000110.4L15 N20 L21 G22 N27 Y28 V42 M406 I436L15-V24 HydrophobicContact CD1-CG2 3.71Å; L15-V24 HydrophobicContact CD2-CG2 3.73Å; L15-V24 HydrophobicContact CG-CG2 4.36Å; N20-V24 PolarHBondContact O-N 3.33Å; L21-V24 WeakPolarHBondContact O-CB 3.24Å; L21-V24 PolarHBondContact O-N 2.96Å; L21-V24 VanDerWaalsContact O-N 3.14Å; G22-V24 VanDerWaalsContact C-N 3.32Å; G22-V24 PolarHBondContact O-N 3.05Å; V24-N27 PolarHBondContact O-N 3.17Å; V24-Y28 HydrophobicContact CG1-CD2 3.72Å; V24-Y28 HydrophobicContact CG1-CE2 3.48Å; V24-Y28 VanDerWaalsContact CG1-CE2 3.48Å; V24-Y28 VanDerWaalsContact O-CD2 3.22Å; V24-Y28 WeakPolarHBondContact O-CD2 3.5Å; V24-Y28 PolarHBondContact O-N 3.37Å; V24-V42 HydrophobicContact CG1-CG1 3.97Å; V24-V42 HydrophobicContact CG1-CG2 4.44Å; V24-M406 HydrophobicContact CG2-SD 3.99Å; V24-I436 HydrophobicContact CB-CD1 4.32Å; V24-I436 HydrophobicContact CG2-CD1 3.72Å
25I95.4Very high91.5Very high11 Ų1163.7 Ų63.76%0.05634%0.342CS..Hα-helixtrans-60.5-47.8176.4-68.5170.2000110L21 G22 N27 Y28 V29 V42 T282 I380L21-I25 HydrophobicContact CD1-CD1 4.06Å; L21-I25 HydrophobicContact CD1-CG1 4.21Å; L21-I25 HydrophobicContact CD2-CD1 4.49Å; L21-I25 HydrophobicContact CG-CD1 3.87Å; L21-I25 HydrophobicContact CG-CG1 4.43Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 3.36Å; G22-I25 PolarHBondContact O-N 2.94Å; I25-N27 VanDerWaalsContact C-N 3.31Å; I25-N27 PolarHBondContact O-N 3.07Å; I25-Y28 PolarHBondContact O-N 2.87Å; I25-V29 HydrophobicContact CG2-CG2 4.13Å; I25-V29 WeakPolarHBondContact O-CB 3.42Å; I25-V29 WeakPolarHBondContact O-CG2 3.35Å; I25-V29 PolarHBondContact O-N 3.25Å; I25-V42 HydrophobicContact CG1-CG2 3.99Å; I25-T282 HydrophobicContact CD1-CG2 3.68Å; I25-I380 HydrophobicContact CD1-CG2 4.19Å; I25-I380 HydrophobicContact CG2-CD1 3.64Å; I25-I380 HydrophobicContact CG2-CG1 4.38Å
26D94.6Very high91.3Very high76 Ų7665.7 Ų65.741%0.40636%0.364SS..Hα-helixtrans-55.3-45.7177.6-71.5-21.2000112G22 V29 Y30 H339G22-D26 WeakPolarHBondContact O-CB 3.2Å; G22-D26 PolarHBondContact O-N 3.14Å; D26-V29 PolarHBondContact O-N 2.87Å; D26-Y30 WeakPolarHBondContact O-CB 3.26Å; D26-Y30 PolarHBondContact O-N 2.96Å; D26-H339 IonicContact OD1-CD2 3.73Å; D26-H339 IonicContact OD1-CE1 2.68Å; D26-H339 IonicContact OD1-NE2 3.26Å; D26-H339 PolarHBondContact OD1-NE2 3.41Å
27N94.3Very high91.4Very high54 Ų5464.6 Ų64.629%0.28936%0.355SS..Hα-helixtrans-62.3-46.7178.7-179.777.7000111.9N23 V24 I25 Y30 E31 I436N23-N27 WeakPolarHBondContact O-CB 3.3Å; N23-N27 PolarHBondContact O-N 3.48Å; V24-N27 PolarHBondContact O-N 3.17Å; I25-N27 VanDerWaalsContact C-N 3.31Å; I25-N27 PolarHBondContact O-N 3.07Å; N27-Y30 WeakPolarHBondContact O-CB 3.39Å; N27-Y30 PolarHBondContact O-N 3.14Å; N27-E31 PolarHBondContact O-N 2.97Å; N27-I436 HydrophobicContact CB-CG1 4.47Å; N27-I436 HydrophobicContact CB-CG2 4.49Å
28Y95.5Very high92.1Very high48 Ų4858.9 Ų58.919%0.18833%0.332CS..Hα-helixtrans-71.7-33.8178.2-71.8-57.7000112.5V24 I25 Y30 E31 H32 F40 V42 Y404V24-Y28 HydrophobicContact CG1-CD2 3.72Å; V24-Y28 HydrophobicContact CG1-CE2 3.48Å; V24-Y28 VanDerWaalsContact CG1-CE2 3.48Å; V24-Y28 VanDerWaalsContact O-CD2 3.22Å; V24-Y28 WeakPolarHBondContact O-CD2 3.5Å; V24-Y28 PolarHBondContact O-N 3.37Å; I25-Y28 PolarHBondContact O-N 2.87Å; Y28-Y30 VanDerWaalsContact C-N 3.29Å; Y28-Y30 PolarHBondContact O-N 3.45Å; Y28-E31 PolarHBondContact O-N 2.91Å; Y28-H32 VanDerWaalsContact O-CB 3.32Å; Y28-H32 WeakPolarHBondContact O-CB 3.48Å; Y28-H32 PolarHBondContact O-N 3.16Å; Y28-H32 PolarHBondContact O-ND1 3.1Å; Y28-F40 HydrophobicContact CG-CE2 4.39Å; Y28-V42 HydrophobicContact CD2-CG2 4.3Å; Y28-Y404 HydrophobicContact CD1-CD1 4.25Å; Y28-Y404 HydrophobicContact CD1-CD2 4.04Å; Y28-Y404 HydrophobicContact CD1-CE1 4.17Å; Y28-Y404 AromaticContact CD1-CE2 3.94Å; Y28-Y404 HydrophobicContact CD1-CE2 3.94Å; Y28-Y404 HydrophobicContact CD1-CG 4.19Å; Y28-Y404 HydrophobicContact CD2-CD2 4.01Å; Y28-Y404 HydrophobicContact CD2-CG 4.1Å; Y28-Y404 AromaticContact CE1-CD1 3.52Å; Y28-Y404 HydrophobicContact CE1-CD1 3.52Å; Y28-Y404 HydrophobicContact CE1-CD2 4.08Å; Y28-Y404 AromaticContact CE1-CE1 3.64Å; Y28-Y404 HydrophobicContact CE1-CE1 3.64Å; Y28-Y404 HydrophobicContact CE1-CE2 4.18Å; Y28-Y404 AromaticContact CE1-CG 3.76Å; Y28-Y404 HydrophobicContact CE1-CG 3.76Å; Y28-Y404 AromaticContact CE1-CZ 3.99Å; Y28-Y404 HydrophobicContact CE2-CD1 4.14Å; Y28-Y404 HydrophobicContact CE2-CD2 4.06Å; Y28-Y404 AromaticContact CE2-CG 3.64Å; Y28-Y404 HydrophobicContact CE2-CG 3.64Å; Y28-Y404 HydrophobicContact CG-CD2 4.01Å; Y28-Y404 HydrophobicContact CG-CE2 4.2Å; Y28-Y404 HydrophobicContact CG-CG 4.35Å; Y28-Y404 AromaticContact CZ-CD1 3.45Å; Y28-Y404 VanDerWaalsContact CZ-CD1 3.45Å; Y28-Y404 AromaticContact CZ-CG 3.46Å; Y28-Y404 VanDerWaalsContact CZ-CG 3.46Å; Y28-Y404 WeakPolarHBondContact OH-CD1 3.37Å
29V95.7Very high92.9Very high8 Ų856.6 Ų56.65%0.04831%0.308CS..Hα-helixtrans-57.6-45.2170165.10000110.2I25 D26 T33 F40 W378I25-V29 HydrophobicContact CG2-CG2 4.13Å; I25-V29 WeakPolarHBondContact O-CB 3.42Å; I25-V29 WeakPolarHBondContact O-CG2 3.35Å; I25-V29 PolarHBondContact O-N 3.25Å; D26-V29 PolarHBondContact O-N 2.87Å; V29-T33 WeakPolarHBondContact O-CB 3.5Å; V29-T33 PolarHBondContact O-N 2.98Å; V29-T33 PolarHBondContact O-OG1 3.06Å; V29-F40 HydrophobicContact CG2-CE1 4.19Å; V29-F40 HydrophobicContact CG2-CZ 3.87Å; V29-W378 HydrophobicContact CG1-CD2 4.36Å; V29-W378 HydrophobicContact CG1-CG 3.99Å; V29-W378 HydrophobicContact CG2-CB 4.49Å; V29-W378 HydrophobicContact CG2-CD2 4.16Å; V29-W378 HydrophobicContact CG2-CE3 4.49Å; V29-W378 HydrophobicContact CG2-CG 4.16Å
30Y94.8Very high93.3Very high159 Ų15955.8 Ų55.862%0.62430%0.303SS*.Hα-helixtrans-60.2-51.4176.6175.7-96.1000111.7D26 N27 Y28 H32 T33 L34D26-Y30 WeakPolarHBondContact O-CB 3.26Å; D26-Y30 PolarHBondContact O-N 2.96Å; N27-Y30 WeakPolarHBondContact O-CB 3.39Å; N27-Y30 PolarHBondContact O-N 3.14Å; Y28-Y30 VanDerWaalsContact C-N 3.29Å; Y28-Y30 PolarHBondContact O-N 3.45Å; Y30-H32 PolarHBondContact O-N 2.95Å; Y30-T33 WeakPolarHBondContact O-CB 3.31Å; Y30-T33 PolarHBondContact O-N 3.2Å; Y30-L34 HydrophobicContact CD1-CD1 4.39Å; Y30-L34 HydrophobicContact CE1-CD1 3.75Å; Y30-L34 HydrophobicContact CE2-CD1 4.39Å; Y30-L34 PolarHBondContact O-N 3.43Å
31E93.5Very high93.7Very high92 Ų9251.6 Ų51.643%0.4328%0.28SS..Hα-helixtrans-61.1-44.7179.5-172.1-175.9171.900112.4N27 Y28 T33 L34 T35N27-E31 PolarHBondContact O-N 2.97Å; Y28-E31 PolarHBondContact O-N 2.91Å; E31-T33 VanDerWaalsContact C-N 3.29Å; E31-T33 PolarHBondContact O-N 2.92Å; E31-L34 PolarHBondContact O-N 3.25Å; E31-T35 WeakPolarHBondContact O-CG2 3.26Å; E31-T35 PolarHBondContact O-N 2.9Å; E31-T35 PolarHBondContact O-OG1 3.43Å; E31-T35 VanDerWaalsContact O-OG1 3.09Å
32H94.1Very high94Very high13 Ų1349 Ų496%0.0627%0.267CS..Hα-helixtrans-71.3-27.9-179.4-69.467.8000111.7Y28 Y30 L34 T35 K37 F40 W378 Y404Y28-H32 VanDerWaalsContact O-CB 3.32Å; Y28-H32 WeakPolarHBondContact O-CB 3.48Å; Y28-H32 PolarHBondContact O-N 3.16Å; Y28-H32 PolarHBondContact O-ND1 3.1Å; Y30-H32 PolarHBondContact O-N 2.95Å; H32-L34 VanDerWaalsContact C-N 3.3Å; H32-L34 PolarHBondContact O-N 3.01Å; H32-T35 WeakPolarHBondContact CA-OG1 3.23Å; H32-T35 PolarHBondContact O-N 3.31Å; H32-T35 PolarHBondContact O-OG1 3.34Å; H32-K37 VanDerWaalsContact O-CA 3.31Å; H32-K37 WeakPolarHBondContact O-CA 3.41Å; H32-K37 WeakPolarHBondContact O-CG 3.48Å; H32-K37 PolarHBondContact O-N 3.36Å; H32-F40 AromaticContact CD2-CD1 3.97Å; H32-F40 AromaticContact CG-CD1 3.95Å; H32-W378 HydrophobicContact CB-CH2 3.83Å; H32-W378 HydrophobicContact CB-CZ2 3.83Å; H32-Y404 AromaticContact CE1-CE2 3.42Å; H32-Y404 VanDerWaalsContact CE1-CE2 3.42Å; H32-Y404 WeakPolarHBondContact CE1-CE2 3.38Å; H32-Y404 AromaticContact CE1-CZ 3.53Å; H32-Y404 PolarHBondContact CE1-OH 3.38Å; H32-Y404 AromaticContact NE2-CE2 3.67Å; H32-Y404 AromaticContact NE2-CZ 3.77Å; H32-Y404 PolarHBondContact NE2-OH 2.86Å
33T92.6Very high94.3Very high61 Ų6147.6 Ų47.637%0.37425%0.252SS..Hα-helixtrans-65.7-32.7174.5-65.90000112.6V29 Y30 E31 W378V29-T33 WeakPolarHBondContact O-CB 3.5Å; V29-T33 PolarHBondContact O-N 2.98Å; V29-T33 PolarHBondContact O-OG1 3.06Å; Y30-T33 WeakPolarHBondContact O-CB 3.31Å; Y30-T33 PolarHBondContact O-N 3.2Å; E31-T33 VanDerWaalsContact C-N 3.29Å; E31-T33 PolarHBondContact O-N 2.92Å; T33-W378 PolarHBondContact OG1-NE1 3.46Å
34L90Very high94.6Very high121 Ų12147.7 Ų47.763%0.63425%0.252SS*.Hα-helixtrans-83.4-12.8176.7-62.5177.3000113.6Y30 E31 H32Y30-L34 HydrophobicContact CD1-CD1 4.39Å; Y30-L34 HydrophobicContact CE1-CD1 3.75Å; Y30-L34 HydrophobicContact CE2-CD1 4.39Å; Y30-L34 PolarHBondContact O-N 3.43Å; E31-L34 PolarHBondContact O-N 3.25Å; H32-L34 VanDerWaalsContact C-N 3.3Å; H32-L34 PolarHBondContact O-N 3.01Å
35T90.3Very high94.7Very high101 Ų10147.4 Ų47.462%0.6225%0.251SS*.THydrogen-bonded Turntrans-112.2-112.1-176.858.50000111.1E31 H32E31-T35 WeakPolarHBondContact O-CG2 3.26Å; E31-T35 PolarHBondContact O-N 2.9Å; E31-T35 PolarHBondContact O-OG1 3.43Å; E31-T35 VanDerWaalsContact O-OG1 3.09Å; H32-T35 WeakPolarHBondContact CA-OG1 3.23Å; H32-T35 PolarHBondContact O-N 3.31Å; H32-T35 PolarHBondContact O-OG1 3.34Å
36G87.9Confident94.8Very high49 Ų4946.9 Ų46.951%0.50525%0.248SC..THydrogen-bonded Turntrans-102.4-6.2-171.400000115.5N38G36-N38 PolarHBondContact O-N 3.42Å; G36-N38 VanDerWaalsContact O-N 3.15Å; G36-N38 PolarHBondContact O-OD1 2.84Å
37K92.2Very high94.9Very high64 Ų6446.8 Ų46.828%0.27824%0.244SC..  trans5031.8-171.1-67.2-172172.8-163.40114H32 N286 N317 G376 W378H32-K37 VanDerWaalsContact O-CA 3.31Å; H32-K37 WeakPolarHBondContact O-CA 3.41Å; H32-K37 WeakPolarHBondContact O-CG 3.48Å; H32-K37 PolarHBondContact O-N 3.36Å; K37-N286 HydrophobicContact CB-CB 4.49Å; K37-N317 PolarHBondContact O-ND2 2.95Å; K37-G376 PolarHBondContact NZ-O 3.09Å; K37-G376 VanDerWaalsContact NZ-O 3.09Å; K37-W378 HydrophobicContact CB-CZ2 4.11Å; K37-W378 HydrophobicContact CG-CZ2 4.17Å
38N94.5Very high95.1Very high91 Ų9144.2 Ų44.249%0.48723%0.23SC..  trans-66.5143.9174.1-66.3-19.7000109.7G36 W378G36-N38 PolarHBondContact O-N 3.42Å; G36-N38 VanDerWaalsContact O-N 3.15Å; G36-N38 PolarHBondContact O-OD1 2.84Å; N38-W378 WeakPolarHBondContact O-CH2 3.45Å
39A96.9Very high95.2Very high6 Ų642.3 Ų42.35%0.0522%0.224CC..  trans-57.5152.2170.900000110.7L283 A284 V285 N317 D318 P401 A402A39-L283 HydrophobicContact CB-CD1 4.48Å; A39-A284 VanDerWaalsContact CA-O 3.23Å; A39-A284 WeakPolarHBondContact CA-O 3.44Å; A39-A284 WeakPolarHBondContact CB-O 3.43Å; A39-V285 HydrophobicContact CB-CG1 4.18Å; A39-N317 PolarHBondContact N-ND2 3.37Å; A39-N317 VanDerWaalsContact N-ND2 3.17Å; A39-D318 HydrophobicContact CB-CB 4.39Å; A39-P401 HydrophobicContact CB-CB 4.15Å; A39-P401 HydrophobicContact CB-CG 4.05Å; A39-P401 WeakPolarHBondContact O-CA 3.44Å; A39-P401 WeakPolarHBondContact O-CB 3.38Å; A39-A402 PolarHBondContact O-N 2.89Å
40F97.4Very high95.2Very high0 Ų046.6 Ų46.60%024%0.242CC..EExtended strand (participates in β ladder)trans-148.7150177.565.1-91.8000112.3Y28 V29 H32 V42 A284 W378 A402 Y404Y28-F40 HydrophobicContact CG-CE2 4.39Å; V29-F40 HydrophobicContact CG2-CE1 4.19Å; V29-F40 HydrophobicContact CG2-CZ 3.87Å; H32-F40 AromaticContact CD2-CD1 3.97Å; H32-F40 AromaticContact CG-CD1 3.95Å; F40-V42 HydrophobicContact CD2-CG2 4.01Å; F40-V42 HydrophobicContact CE2-CG2 3.85Å; F40-A284 HydrophobicContact CD1-CB 4.08Å; F40-A284 HydrophobicContact CD2-CB 4.21Å; F40-A284 HydrophobicContact CE1-CB 3.62Å; F40-A284 HydrophobicContact CE2-CB 3.76Å; F40-A284 HydrophobicContact CG-CB 4.35Å; F40-A284 HydrophobicContact CZ-CB 3.45Å; F40-A284 VanDerWaalsContact CZ-CB 3.45Å; F40-A284 PolarHBondContact N-O 3.27Å; F40-A284 PolarHBondContact O-N 3.47Å; F40-W378 HydrophobicContact CD1-CH2 4.11Å; F40-W378 AromaticContact CD1-CZ3 3.96Å; F40-W378 HydrophobicContact CD1-CZ3 3.96Å; F40-W378 HydrophobicContact CE1-CE3 4.32Å; F40-W378 AromaticContact CE1-CH2 3.91Å; F40-W378 HydrophobicContact CE1-CH2 3.91Å; F40-W378 AromaticContact CE1-CZ3 3.71Å; F40-W378 HydrophobicContact CE1-CZ3 3.71Å; F40-A402 CarbonylContact C-O 3.57Å; F40-A402 WeakPolarHBondContact CA-O 3.07Å; F40-A402 HydrophobicContact CB-CB 4.2Å; F40-Y404 HydrophobicContact CB-CD2 4.1Å; F40-Y404 HydrophobicContact CB-CE2 3.77Å; F40-Y404 HydrophobicContact CD2-CD2 4.04Å; F40-Y404 HydrophobicContact CD2-CE2 4.27Å; F40-Y404 HydrophobicContact CG-CD2 4.34Å; F40-Y404 HydrophobicContact CG-CE2 4.13Å
41F98Very high95.4Very high4 Ų440.3 Ų40.32%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-96.4143.5169.5-79.9-78000111F281 T282 L283 S323 M384 F389 P401 A402 I403 Y404F41-F281 HydrophobicContact CD1-CB 4.14Å; F41-F281 HydrophobicContact CD1-CD1 4.49Å; F41-T282 WeakPolarHBondContact CA-O 3.31Å; F41-L283 HydrophobicContact CD1-CB 3.98Å; F41-L283 HydrophobicContact CD1-CD1 4.17Å; F41-L283 HydrophobicContact CD2-CD1 4.05Å; F41-L283 HydrophobicContact CE1-CB 3.66Å; F41-L283 HydrophobicContact CE1-CD1 3.99Å; F41-L283 HydrophobicContact CE1-CG 4.24Å; F41-L283 HydrophobicContact CE2-CD1 3.83Å; F41-L283 HydrophobicContact CG-CD1 4.21Å; F41-L283 HydrophobicContact CZ-CB 4.2Å; F41-L283 HydrophobicContact CZ-CD1 3.81Å; F41-L283 HydrophobicContact CZ-CD2 4.26Å; F41-L283 HydrophobicContact CZ-CG 4.3Å; F41-S323 WeakPolarHBondContact CE2-OG 3.49Å; F41-M384 HydrophobicContact CE1-CB 3.82Å; F41-M384 VanDerWaalsContact CE1-O 3.26Å; F41-M384 WeakPolarHBondContact CE1-O 3.27Å; F41-F389 HydrophobicContact CB-CZ 4.25Å; F41-F389 HydrophobicContact CD1-CE2 4.13Å; F41-F389 AromaticContact CD1-CZ 3.92Å; F41-F389 HydrophobicContact CD1-CZ 3.92Å; F41-F389 HydrophobicContact CD2-CE1 4.24Å; F41-F389 HydrophobicContact CD2-CE2 4.42Å; F41-F389 AromaticContact CD2-CZ 3.87Å; F41-F389 HydrophobicContact CD2-CZ 3.87Å; F41-F389 AromaticContact CE1-CE2 3.93Å; F41-F389 HydrophobicContact CE1-CE2 3.93Å; F41-F389 HydrophobicContact CE1-CZ 4.15Å; F41-F389 HydrophobicContact CE2-CE2 4.26Å; F41-F389 HydrophobicContact CE2-CZ 4.14Å; F41-F389 HydrophobicContact CG-CE1 4.45Å; F41-F389 HydrophobicContact CG-CE2 4.36Å; F41-F389 AromaticContact CG-CZ 3.75Å; F41-F389 HydrophobicContact CG-CZ 3.75Å; F41-F389 HydrophobicContact CZ-CE2 4.01Å; F41-F389 HydrophobicContact CZ-CZ 4.27Å; F41-P401 HydrophobicContact CD2-CB 3.81Å; F41-P401 HydrophobicContact CD2-CG 4.31Å; F41-P401 HydrophobicContact CE2-CB 4.07Å; F41-P401 HydrophobicContact CE2-CG 4.05Å; F41-A402 PolarHBondContact N-O 3.31Å; F41-I403 HydrophobicContact CB-CG1 4.4Å; F41-I403 HydrophobicContact CB-CG2 4.33Å; F41-Y404 PolarHBondContact O-N 3.14Å
42V98.1Very high95.6Very high2 Ų236.4 Ų36.41%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-113120.5160.4-175.50000108.1L21 V24 I25 Y28 F40 F281 T282 Y404 M406L21-V42 HydrophobicContact CD1-CB 4.03Å; L21-V42 HydrophobicContact CD1-CG1 3.52Å; V24-V42 HydrophobicContact CG1-CG1 3.97Å; V24-V42 HydrophobicContact CG1-CG2 4.44Å; I25-V42 HydrophobicContact CG1-CG2 3.99Å; Y28-V42 HydrophobicContact CD2-CG2 4.3Å; F40-V42 HydrophobicContact CD2-CG2 4.01Å; F40-V42 HydrophobicContact CE2-CG2 3.85Å; V42-F281 WeakPolarHBondContact O-CA 3.4Å; V42-T282 PolarHBondContact N-O 3.32Å; V42-T282 PolarHBondContact O-N 3.39Å; V42-Y404 CarbonylContact C-O 3.26Å; V42-Y404 WeakPolarHBondContact CA-O 3.5Å; V42-M406 HydrophobicContact CG1-CG 3.88Å; V42-M406 HydrophobicContact CG1-SD 4.08Å
43G97.9Very high95.7Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-109.4118.3179.800000112.2L45 A280 F281 Y404 Y405 M406G43-L45 PolarHBondContact O-N 3.49Å; G43-A280 CarbonylContact C-O 3.59Å; G43-A280 WeakPolarHBondContact CA-O 3.41Å; G43-F281 VanDerWaalsContact CA-CD1 3.43Å; G43-Y404 PolarHBondContact N-O 3.46Å; G43-Y405 WeakPolarHBondContact O-CA 3.44Å; G43-M406 PolarHBondContact O-N 2.95Å
44D97.7Very high95.9Very high35 Ų3535.9 Ų35.919%0.18720%0.197CC..EExtended strand (participates in β ladder)trans-86.998.8172.7-176.1-8.9000110.4G46 K47 A280 M406D44-G46 VanDerWaalsContact C-N 3.28Å; D44-G46 PolarHBondContact O-N 2.9Å; D44-G46 WeakPolarHBondContact OD1-CA 3.47Å; D44-G46 PolarHBondContact OD1-N 2.78Å; D44-K47 HydrophobicContact CB-CB 4.18Å; D44-K47 WeakPolarHBondContact O-CB 3.35Å; D44-K47 PolarHBondContact O-N 2.59Å; D44-K47 PolarHBondContact OD1-N 3.41Å; D44-K47 VanDerWaalsContact OD1-N 3.14Å; D44-A280 PolarHBondContact N-O 3.49Å; D44-M406 HydrophobicContact CB-CE 4.35Å; D44-M406 HydrophobicContact CB-CG 4.4Å
45L97.3Very high96.3Very high0 Ų030.3 Ų30.30%017%0.168CC..Hα-helixtrans-69.8-26.7178.6-64.4-178.5000112.3V12 G43 K47 I48 V49 I79 Y405 M406 M407 F429V12-L45 HydrophobicContact CG1-CD1 4.33Å; V12-L45 HydrophobicContact CG2-CD1 3.87Å; G43-L45 PolarHBondContact O-N 3.49Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.18Å; L45-I48 HydrophobicContact CD2-CD1 3.99Å; L45-I48 WeakPolarHBondContact O-CB 3.46Å; L45-I48 PolarHBondContact O-N 3.44Å; L45-V49 PolarHBondContact O-N 3.28Å; L45-I79 HydrophobicContact CB-CD1 4.06Å; L45-Y405 HydrophobicContact CD1-CD1 4.16Å; L45-Y405 HydrophobicContact CD1-CG 4.17Å; L45-Y405 HydrophobicContact CD2-CD1 3.8Å; L45-Y405 HydrophobicContact CD2-CE1 4.18Å; L45-Y405 HydrophobicContact CG-CD1 3.94Å; L45-Y405 HydrophobicContact CG-CG 4.39Å; L45-M406 PolarHBondContact N-O 2.99Å; L45-M407 HydrophobicContact CB-CE 3.44Å; L45-M407 VanDerWaalsContact CB-CE 3.44Å; L45-F429 HydrophobicContact CD1-CD1 4.28Å; L45-F429 HydrophobicContact CD1-CE1 3.77Å
46G96.8Very high96.6Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-65.3-34176.400000111.6D44 I48 V49 K50D44-G46 VanDerWaalsContact C-N 3.28Å; D44-G46 PolarHBondContact O-N 2.9Å; D44-G46 WeakPolarHBondContact OD1-CA 3.47Å; D44-G46 PolarHBondContact OD1-N 2.78Å; G46-I48 VanDerWaalsContact C-N 3.34Å; G46-I48 PolarHBondContact O-N 2.76Å; G46-V49 PolarHBondContact O-N 3.27Å; G46-K50 WeakPolarHBondContact O-CG 3.46Å; G46-K50 PolarHBondContact O-N 3.22Å
47K97.1Very high97.1Very high74 Ų7434.6 Ų34.632%0.32217%0.172SC..Hα-helixtrans-64-36.4173.8-158.3169.1-174.6177.70112.7D44 L45 K50 K51 S279 A280D44-K47 HydrophobicContact CB-CB 4.18Å; D44-K47 WeakPolarHBondContact O-CB 3.35Å; D44-K47 PolarHBondContact O-N 2.59Å; D44-K47 PolarHBondContact OD1-N 3.41Å; D44-K47 VanDerWaalsContact OD1-N 3.14Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.18Å; K47-K50 PolarHBondContact O-N 2.94Å; K47-K51 VanDerWaalsContact O-CG 3.32Å; K47-K51 WeakPolarHBondContact O-CG 3.4Å; K47-K51 PolarHBondContact O-N 3.43Å; K47-S279 WeakPolarHBondContact CD-O 3.31Å; K47-S279 WeakPolarHBondContact CE-O 2.97Å; K47-S279 WeakPolarHBondContact CE-OG 3.41Å; K47-S279 PolarHBondContact NZ-O 3.46Å; K47-S279 PolarHBondContact NZ-OG 3.47Å; K47-A280 HydrophobicContact CB-CB 4.36Å
48I98.2Very high97.3Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-64-43.8175.1-56.8179.4000110.4L45 G46 K51 H52 V76 I79 L80 Y276 V277 A280 F281L45-I48 HydrophobicContact CD2-CD1 3.99Å; L45-I48 WeakPolarHBondContact O-CB 3.46Å; L45-I48 PolarHBondContact O-N 3.44Å; G46-I48 VanDerWaalsContact C-N 3.34Å; G46-I48 PolarHBondContact O-N 2.76Å; I48-K51 WeakPolarHBondContact O-CB 3.04Å; I48-K51 PolarHBondContact O-N 2.65Å; I48-H52 PolarHBondContact O-N 3.44Å; I48-V76 HydrophobicContact CD1-CG1 4.36Å; I48-V76 HydrophobicContact CD1-CG2 4.13Å; I48-I79 HydrophobicContact CG2-CG2 4.41Å; I48-L80 HydrophobicContact CG2-CD2 3.73Å; I48-L80 HydrophobicContact CG2-CG 4.22Å; I48-Y276 HydrophobicContact CG2-CD1 4.02Å; I48-V277 HydrophobicContact CD1-CG1 4.47Å; I48-A280 HydrophobicContact CD1-CB 4.43Å; I48-A280 HydrophobicContact CG1-CB 3.84Å; I48-F281 HydrophobicContact CD1-CE2 4.49Å
49V97.5Very high97.2Very high9 Ų928.5 Ų28.56%0.05514%0.143CC..Hα-helixtrans-62.3-45.9176.4178.10000110.6L45 G46 K51 H52 S53 I79 L83 M415L45-V49 PolarHBondContact O-N 3.28Å; G46-V49 PolarHBondContact O-N 3.27Å; V49-K51 VanDerWaalsContact C-N 3.29Å; V49-K51 PolarHBondContact O-N 2.89Å; V49-H52 WeakPolarHBondContact O-CA 3.46Å; V49-H52 VanDerWaalsContact O-CB 3.31Å; V49-H52 WeakPolarHBondContact O-CB 3.04Å; V49-H52 PolarHBondContact O-N 3.32Å; V49-S53 PolarHBondContact O-N 3.3Å; V49-S53 PolarHBondContact O-OG 2.99Å; V49-I79 HydrophobicContact CG2-CD1 3.69Å; V49-I79 HydrophobicContact CG2-CG1 4.34Å; V49-L83 HydrophobicContact CG1-CD2 4.45Å; V49-L83 HydrophobicContact CG2-CD1 4.34Å; V49-M415 HydrophobicContact CG1-CG 4.01Å; V49-M415 HydrophobicContact CG2-CE 4.19Å; V49-M415 HydrophobicContact CG2-CG 4.06Å; V49-M415 HydrophobicContact CG2-SD 3.61Å
50K97.1Very high97.1Very high98 Ų9832 Ų3243%0.42617%0.172SC..Hα-helixtrans-58.2-39.1174.7-77.2168.3169.6147.70112.5G46 K47 H52 S53 Q54 D411G46-K50 WeakPolarHBondContact O-CG 3.46Å; G46-K50 PolarHBondContact O-N 3.22Å; K47-K50 PolarHBondContact O-N 2.94Å; K50-H52 VanDerWaalsContact C-N 3.31Å; K50-H52 PolarHBondContact O-N 2.97Å; K50-S53 PolarHBondContact O-N 3.16Å; K50-Q54 VanDerWaalsContact O-CB 3.31Å; K50-Q54 WeakPolarHBondContact O-CB 3.36Å; K50-Q54 PolarHBondContact O-N 3.13Å; K50-D411 WeakPolarHBondContact CE-OD1 3.43Å; K50-D411 IonicContact NZ-OD1 3.54Å; K50-D411 PolarHBondContact NZ-OD1 2.93Å; K50-D411 IonicContact NZ-OD2 3.71Å; K50-D411 PolarHBondContact NZ-OD2 3.33Å
51K98Very high96.9Very high27 Ų2736.2 Ų36.212%0.11719%0.192CC..Hα-helixtrans-62.9-38.6172.8-69.5-66.4166.6-146.80111.8K47 I48 V49 Q54 W55 G240 Y275 Y276K47-K51 VanDerWaalsContact O-CG 3.32Å; K47-K51 WeakPolarHBondContact O-CG 3.4Å; K47-K51 PolarHBondContact O-N 3.43Å; I48-K51 WeakPolarHBondContact O-CB 3.04Å; I48-K51 PolarHBondContact O-N 2.65Å; V49-K51 VanDerWaalsContact C-N 3.29Å; V49-K51 PolarHBondContact O-N 2.89Å; K51-Q54 PolarHBondContact O-N 2.79Å; K51-W55 WeakPolarHBondContact O-CB 3.49Å; K51-W55 PolarHBondContact O-N 2.83Å; K51-G240 WeakPolarHBondContact CE-O 3.46Å; K51-G240 PolarHBondContact NZ-O 2.9Å; K51-Y275 HydrophobicContact CB-CD1 4.36Å; K51-Y275 HydrophobicContact CB-CE1 3.75Å; K51-Y275 HydrophobicContact CD-CE1 4.23Å; K51-Y275 HydrophobicContact CD-CE2 4.32Å; K51-Y275 HydrophobicContact CG-CE1 4.47Å; K51-Y275 WeakPolarHBondContact O-CE1 3.4Å; K51-Y275 PolarHBondContact O-OH 2.9Å; K51-Y276 HydrophobicContact CB-CD1 3.85Å; K51-Y276 HydrophobicContact CB-CE1 4.18Å
52H98Very high96.8Very high9 Ų936.1 Ų36.14%0.04219%0.192CC..Hα-helixtrans-65.1-45.4174.5-164.670.8000112.3I48 V49 K50 Q54 W55 Q56 L83 Y276I48-H52 PolarHBondContact O-N 3.44Å; V49-H52 WeakPolarHBondContact O-CA 3.46Å; V49-H52 VanDerWaalsContact O-CB 3.31Å; V49-H52 WeakPolarHBondContact O-CB 3.04Å; V49-H52 PolarHBondContact O-N 3.32Å; K50-H52 VanDerWaalsContact C-N 3.31Å; K50-H52 PolarHBondContact O-N 2.97Å; H52-Q54 VanDerWaalsContact C-N 3.35Å; H52-Q54 PolarHBondContact O-N 3.11Å; H52-W55 WeakPolarHBondContact O-CB 3.42Å; H52-W55 PolarHBondContact O-N 3.18Å; H52-Q56 PolarHBondContact CD2-NE2 3.12Å; H52-Q56 PolarHBondContact NE2-NE2 3.27Å; H52-Q56 WeakPolarHBondContact O-CG 3.47Å; H52-Q56 PolarHBondContact O-N 3.34Å; H52-L83 HydrophobicContact CB-CD1 3.98Å; H52-L83 HydrophobicContact CB-CD2 4.34Å; H52-L83 PolarHBondContact NE2-O 2.8Å; H52-Y276 HydrophobicContact CB-CE1 3.92Å; H52-Y276 AromaticContact ND1-CZ 3.92Å; H52-Y276 PolarHBondContact ND1-OH 2.98Å
53S96.7Very high96.9Very high40 Ų4039.6 Ų39.628%0.2821%0.206SC..Hα-helixtrans-61.6-42.8176.1-56.30000111.7V49 K50 W55 Q56 N57V49-S53 PolarHBondContact O-N 3.3Å; V49-S53 PolarHBondContact O-OG 2.99Å; K50-S53 PolarHBondContact O-N 3.16Å; S53-W55 VanDerWaalsContact C-N 3.34Å; S53-W55 PolarHBondContact O-N 3.45Å; S53-Q56 PolarHBondContact O-N 2.92Å; S53-N57 WeakPolarHBondContact O-CB 3.49Å; S53-N57 PolarHBondContact O-N 3.47Å; S53-N57 PolarHBondContact O-ND2 3.04Å
54Q97.3Very high96.9Very high24 Ų2440 Ų4011%0.11221%0.209CC..Hα-helixtrans-59.8-44.5174.3-171-161.4-57.500111.1K50 K51 H52 N57 V58 E242 Y275K50-Q54 VanDerWaalsContact O-CB 3.31Å; K50-Q54 WeakPolarHBondContact O-CB 3.36Å; K50-Q54 PolarHBondContact O-N 3.13Å; K51-Q54 PolarHBondContact O-N 2.79Å; H52-Q54 VanDerWaalsContact C-N 3.35Å; H52-Q54 PolarHBondContact O-N 3.11Å; Q54-N57 PolarHBondContact O-N 3.47Å; Q54-V58 WeakPolarHBondContact O-CG2 3.38Å; Q54-V58 PolarHBondContact O-N 2.92Å; Q54-V58 VanDerWaalsContact O-N 3.08Å; Q54-E242 HydrophobicContact CG-CB 4.46Å; Q54-E242 HydrophobicContact CG-CG 4.23Å; Q54-E242 VanDerWaalsContact NE2-CA 3.3Å; Q54-Y275 PolarHBondContact NE2-OH 3.03Å; Q54-Y275 VanDerWaalsContact NE2-OH 3.07Å
55W98.1Very high96.9Very high3 Ų338.6 Ų38.61%0.01120%0.202CC..Hα-helixtrans-57.8-49.5175.2-177-81.9000111.8K51 H52 S53 N57 V58 V59 I62 P64 F238 L245 S270 P272 Y275K51-W55 WeakPolarHBondContact O-CB 3.49Å; K51-W55 PolarHBondContact O-N 2.83Å; H52-W55 WeakPolarHBondContact O-CB 3.42Å; H52-W55 PolarHBondContact O-N 3.18Å; S53-W55 VanDerWaalsContact C-N 3.34Å; S53-W55 PolarHBondContact O-N 3.45Å; W55-N57 VanDerWaalsContact C-N 3.3Å; W55-N57 PolarHBondContact O-N 3Å; W55-V58 PolarHBondContact O-N 2.86Å; W55-V59 HydrophobicContact CD2-CG2 3.74Å; W55-V59 VanDerWaalsContact CE2-CG2 3.47Å; W55-V59 HydrophobicContact CE3-CG2 4.23Å; W55-V59 HydrophobicContact CG-CG2 4.11Å; W55-V59 HydrophobicContact CH2-CG2 4.22Å; W55-V59 HydrophobicContact CZ2-CG2 3.71Å; W55-V59 HydrophobicContact CZ3-CG2 4.46Å; W55-V59 CarbonylContact O-C 3.57Å; W55-V59 VanDerWaalsContact O-CG2 3.29Å; W55-V59 WeakPolarHBondContact O-CG2 3.5Å; W55-V59 PolarHBondContact O-N 3.33Å; W55-I62 HydrophobicContact CZ2-CB 4.11Å; W55-I62 HydrophobicContact CZ2-CG2 3.79Å; W55-I62 PolarHBondContact NE1-O 3.27Å; W55-P64 HydrophobicContact CD2-CB 4.41Å; W55-P64 HydrophobicContact CG-CG 4.41Å; W55-P64 HydrophobicContact CZ2-CB 4.44Å; W55-F238 HydrophobicContact CH2-CD2 4.16Å; W55-F238 HydrophobicContact CH2-CE1 4.41Å; W55-F238 AromaticContact CH2-CE2 3.72Å; W55-F238 HydrophobicContact CH2-CE2 3.72Å; W55-F238 AromaticContact CH2-CZ 3.86Å; W55-F238 HydrophobicContact CH2-CZ 3.86Å; W55-F238 HydrophobicContact CZ3-CD1 4.35Å; W55-F238 AromaticContact CZ3-CD2 3.92Å; W55-F238 HydrophobicContact CZ3-CD2 3.92Å; W55-F238 HydrophobicContact CZ3-CE1 4.36Å; W55-F238 AromaticContact CZ3-CE2 3.95Å; W55-F238 HydrophobicContact CZ3-CE2 3.95Å; W55-F238 HydrophobicContact CZ3-CG 4.13Å; W55-F238 HydrophobicContact CZ3-CZ 4.17Å; W55-L245 HydrophobicContact CE3-CD1 4.11Å; W55-L245 HydrophobicContact CE3-CD2 4.37Å; W55-L245 HydrophobicContact CZ3-CD1 3.87Å; W55-S270 WeakPolarHBondContact CH2-OG 3.23Å; W55-S270 WeakPolarHBondContact CZ2-OG 3.36Å; W55-P272 HydrophobicContact CH2-CG 4.42Å; W55-P272 HydrophobicContact CZ3-CB 4.3Å; W55-P272 HydrophobicContact CZ3-CG 4.26Å; W55-Y275 HydrophobicContact CB-CE1 4.29Å; W55-Y275 HydrophobicContact CE3-CD1 4.35Å; W55-Y275 AromaticContact CE3-CE1 3.95Å; W55-Y275 HydrophobicContact CE3-CE1 3.95Å; W55-Y275 PolarHBondContact N-OH 3.42Å
56Q96.6Very high97Very high102 Ų10238.6 Ų38.648%0.47720%0.202SC..Hα-helixtrans-62.3-36.9178.3-70.2-178.5-20.400112.3H52 S53 A60H52-Q56 PolarHBondContact CD2-NE2 3.12Å; H52-Q56 PolarHBondContact NE2-NE2 3.27Å; H52-Q56 WeakPolarHBondContact O-CG 3.47Å; H52-Q56 PolarHBondContact O-N 3.34Å; S53-Q56 PolarHBondContact O-N 2.92Å; Q56-A60 WeakPolarHBondContact O-CA 3.46Å; Q56-A60 VanDerWaalsContact O-CB 3.3Å; Q56-A60 WeakPolarHBondContact O-CB 3.43Å; Q56-A60 PolarHBondContact O-N 2.91Å
57N96.7Very high97.1Very high139 Ų13939.7 Ų39.774%0.74321%0.208SC*.Hα-helixtrans-68.9-37.1179.1-72.2-22.7000113S53 Q54 W55S53-N57 WeakPolarHBondContact O-CB 3.49Å; S53-N57 PolarHBondContact O-N 3.47Å; S53-N57 PolarHBondContact O-ND2 3.04Å; Q54-N57 PolarHBondContact O-N 3.47Å; W55-N57 VanDerWaalsContact C-N 3.3Å; W55-N57 PolarHBondContact O-N 3Å
58V96.6Very high97.1Very high23 Ų2336.2 Ų36.214%0.13919%0.193CC..Hα-helixtrans-90.4-39.4-175.2-175.60000112.2Q54 W55 L245 E246 N249Q54-V58 WeakPolarHBondContact O-CG2 3.38Å; Q54-V58 PolarHBondContact O-N 2.92Å; Q54-V58 VanDerWaalsContact O-N 3.08Å; W55-V58 PolarHBondContact O-N 2.86Å; V58-L245 HydrophobicContact CB-CD2 3.9Å; V58-L245 HydrophobicContact CB-CG 4.2Å; V58-L245 HydrophobicContact CG1-CD2 4.27Å; V58-L245 HydrophobicContact CG1-CG 4Å; V58-L245 HydrophobicContact CG2-CD2 4.09Å; V58-E246 HydrophobicContact CG1-CG 4.41Å; V58-E246 HydrophobicContact CG2-CG 4.36Å; V58-N249 HydrophobicContact CG1-CB 3.7Å; V58-N249 PolarHBondContact O-ND2 3.1Å; V58-N249 VanDerWaalsContact O-ND2 3.1Å
59V94.1Very high97Very high3 Ų342.7 Ų42.72%0.01822%0.221CC..Hα-helixtrans-139.853.6-171.7-73.60000112.7W55 Q61 I62 L245 N249W55-V59 HydrophobicContact CD2-CG2 3.74Å; W55-V59 VanDerWaalsContact CE2-CG2 3.47Å; W55-V59 HydrophobicContact CE3-CG2 4.23Å; W55-V59 HydrophobicContact CG-CG2 4.11Å; W55-V59 HydrophobicContact CH2-CG2 4.22Å; W55-V59 HydrophobicContact CZ2-CG2 3.71Å; W55-V59 HydrophobicContact CZ3-CG2 4.46Å; W55-V59 CarbonylContact O-C 3.57Å; W55-V59 VanDerWaalsContact O-CG2 3.29Å; W55-V59 WeakPolarHBondContact O-CG2 3.5Å; W55-V59 PolarHBondContact O-N 3.33Å; V59-Q61 PolarHBondContact O-N 3.14Å; V59-I62 HydrophobicContact CB-CB 4.26Å; V59-I62 HydrophobicContact CB-CD1 3.98Å; V59-I62 HydrophobicContact CB-CG1 4.09Å; V59-I62 HydrophobicContact CG1-CD1 4.01Å; V59-I62 PolarHBondContact O-N 3.3Å; V59-L245 HydrophobicContact CG2-CD1 4.44Å; V59-N249 HydrophobicContact CG1-CB 4.08Å; V59-N249 WeakPolarHBondContact CG1-OD1 3.33Å
60A93.6Very high96.8Very high79 Ų7943 Ų4365%0.65322%0.224SC*.THydrogen-bonded Turntrans-51.2-32.7-179.100000114.7Q56 I62Q56-A60 WeakPolarHBondContact O-CA 3.46Å; Q56-A60 VanDerWaalsContact O-CB 3.3Å; Q56-A60 WeakPolarHBondContact O-CB 3.43Å; Q56-A60 PolarHBondContact O-N 2.91Å; A60-I62 PolarHBondContact O-N 3.39Å
61Q92.9Very high96.8Very high90 Ų9038.4 Ų38.442%0.42120%0.204SC..THydrogen-bonded Turntrans-75.1-10.5-179.272.3-8123.700113.9V59V59-Q61 PolarHBondContact O-N 3.14Å
62I97.4Very high96.7Very high2 Ų239 Ų391%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-106.4114.3-177.7-51.1-174.6000109.1W55 V59 A60 P64 I234 I252 L256 I268W55-I62 HydrophobicContact CZ2-CB 4.11Å; W55-I62 HydrophobicContact CZ2-CG2 3.79Å; W55-I62 PolarHBondContact NE1-O 3.27Å; V59-I62 HydrophobicContact CB-CB 4.26Å; V59-I62 HydrophobicContact CB-CD1 3.98Å; V59-I62 HydrophobicContact CB-CG1 4.09Å; V59-I62 HydrophobicContact CG1-CD1 4.01Å; V59-I62 PolarHBondContact O-N 3.3Å; A60-I62 PolarHBondContact O-N 3.39Å; I62-P64 WeakPolarHBondContact O-CD 3.49Å; I62-I234 HydrophobicContact CD1-CD1 3.78Å; I62-I234 HydrophobicContact CG2-CD1 4.35Å; I62-I252 HydrophobicContact CD1-CD1 4.01Å; I62-L256 HydrophobicContact CD1-CD1 4.13Å; I62-I268 WeakPolarHBondContact CA-O 3.12Å; I62-I268 HydrophobicContact CB-CG2 4.47Å; I62-I268 HydrophobicContact CD1-CG2 4.22Å; I62-I268 HydrophobicContact CG1-CB 4.33Å; I62-I268 HydrophobicContact CG1-CG2 3.92Å; I62-I268 HydrophobicContact CG2-CG2 4.09Å
63K98.3Very high96.5Very high74 Ų7439 Ų3932%0.32221%0.213SC..EExtended strand (participates in β ladder)trans-77.7123.7177-176.6172.1180171.20110.5F65 G84 N107 I268 I269 S270K63-F65 HydrophobicContact CB-CE2 4.41Å; K63-F65 HydrophobicContact CD-CE2 3.9Å; K63-F65 HydrophobicContact CD-CZ 4.45Å; K63-F65 HydrophobicContact CG-CD2 4.36Å; K63-F65 HydrophobicContact CG-CE2 3.95Å; K63-G84 WeakPolarHBondContact CE-O 3.29Å; K63-N107 PolarHBondContact NZ-OD1 3.17Å; K63-I268 PolarHBondContact N-O 3.22Å; K63-I269 HydrophobicContact CB-CG2 4.35Å; K63-I269 VanDerWaalsContact O-CA 3.25Å; K63-I269 WeakPolarHBondContact O-CA 3.38Å; K63-S270 PolarHBondContact O-N 3.4Å; K63-S270 VanDerWaalsContact O-N 3.07Å
64P98.6Very high96.4Very high9 Ų939.1 Ų39.16%0.05821%0.213CC..EExtended strand (participates in β ladder)trans-77135.5175.528.6-29.3000111.5W55 I62 T85 G86 P272 Y276W55-P64 HydrophobicContact CD2-CB 4.41Å; W55-P64 HydrophobicContact CG-CG 4.41Å; W55-P64 HydrophobicContact CZ2-CB 4.44Å; I62-P64 WeakPolarHBondContact O-CD 3.49Å; P64-T85 HydrophobicContact CB-CG2 4.11Å; P64-T85 HydrophobicContact CG-CG2 4.09Å; P64-T85 WeakPolarHBondContact O-CG2 3.34Å; P64-G86 PolarHBondContact O-N 3.13Å; P64-P272 HydrophobicContact CB-CG 3.7Å; P64-Y276 HydrophobicContact CB-CE2 4.25Å; P64-Y276 WeakPolarHBondContact CG-OH 3.3Å
65F98.8Very high96.3Very high6 Ų638 Ų383%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-114.8104168.2-79.7-112.6000108.9K63 T67 G86 A88 N107 I109 I269 S270 E271K63-F65 HydrophobicContact CB-CE2 4.41Å; K63-F65 HydrophobicContact CD-CE2 3.9Å; K63-F65 HydrophobicContact CD-CZ 4.45Å; K63-F65 HydrophobicContact CG-CD2 4.36Å; K63-F65 HydrophobicContact CG-CE2 3.95Å; F65-T67 PolarHBondContact O-N 2.99Å; F65-G86 CarbonylContact C-O 3.56Å; F65-G86 WeakPolarHBondContact CA-O 3.32Å; F65-A88 HydrophobicContact CB-CB 4.35Å; F65-N107 WeakPolarHBondContact CE1-O 3.18Å; F65-I109 HydrophobicContact CD1-CB 4.41Å; F65-I109 HydrophobicContact CD1-CD1 3.58Å; F65-I109 HydrophobicContact CD1-CG1 3.68Å; F65-I109 HydrophobicContact CD2-CD1 4.36Å; F65-I109 HydrophobicContact CE1-CD1 3.61Å; F65-I109 HydrophobicContact CE1-CG1 3.62Å; F65-I109 HydrophobicContact CE2-CD1 4.39Å; F65-I109 HydrophobicContact CG-CD1 3.99Å; F65-I109 HydrophobicContact CZ-CD1 4.04Å; F65-I109 HydrophobicContact CZ-CG1 4.42Å; F65-I269 HydrophobicContact CD2-CB 3.97Å; F65-I269 HydrophobicContact CD2-CD1 4.3Å; F65-I269 HydrophobicContact CD2-CG2 4.15Å; F65-I269 HydrophobicContact CE2-CB 4.06Å; F65-I269 HydrophobicContact CE2-CD1 4.38Å; F65-I269 HydrophobicContact CE2-CG2 3.69Å; F65-S270 WeakPolarHBondContact CA-O 3.48Å; F65-S270 WeakPolarHBondContact CB-O 3.3Å; F65-S270 PolarHBondContact N-O 3.39Å; F65-E271 CarbonylContact O-C 3.46Å; F65-E271 WeakPolarHBondContact O-CA 2.8Å
66Y98.8Very high96.3Very high0 Ų037.8 Ų37.80%021%0.207CC..EExtended strand (participates in β ladder)trans-63128.4-174.1177-108.5000112.3V68 N71 V76 L77 L80 G86 F87 A88 P272 Y276 V277Y66-V68 PolarHBondContact O-N 2.79Å; Y66-V68 VanDerWaalsContact O-N 3.13Å; Y66-N71 WeakPolarHBondContact CE1-O 3.22Å; Y66-N71 WeakPolarHBondContact OH-CA 3.46Å; Y66-N71 WeakPolarHBondContact OH-CB 3.48Å; Y66-N71 PolarHBondContact OH-N 3.3Å; Y66-N71 PolarHBondContact OH-O 2.9Å; Y66-V76 HydrophobicContact CE1-CG1 4.41Å; Y66-L77 HydrophobicContact CD1-CD2 3.88Å; Y66-L77 HydrophobicContact CE1-CD2 3.78Å; Y66-L80 HydrophobicContact CD1-CD1 3.67Å; Y66-L80 HydrophobicContact CD2-CD1 3.59Å; Y66-L80 HydrophobicContact CE1-CD1 4.06Å; Y66-L80 HydrophobicContact CE2-CD1 3.98Å; Y66-L80 HydrophobicContact CG-CD1 3.42Å; Y66-L80 VanDerWaalsContact CG-CD1 3.42Å; Y66-G86 PolarHBondContact N-O 3.49Å; Y66-F87 HydrophobicContact CD1-CD1 4.22Å; Y66-F87 HydrophobicContact CD1-CE1 4.26Å; Y66-F87 WeakPolarHBondContact O-CA 3.38Å; Y66-A88 PolarHBondContact O-N 2.82Å; Y66-P272 WeakPolarHBondContact CA-O 3.5Å; Y66-P272 WeakPolarHBondContact CD2-O 3.42Å; Y66-Y276 AromaticContact CD2-CD2 3.96Å; Y66-Y276 HydrophobicContact CD2-CD2 3.96Å; Y66-Y276 HydrophobicContact CD2-CG 4.43Å; Y66-V277 HydrophobicContact CE2-CG1 4.02Å; Y66-V277 HydrophobicContact CE2-CG2 4.46Å; Y66-V277 WeakPolarHBondContact OH-CG1 3.24Å
67T98.1Very high96.4Very high23 Ų2333 Ų3314%0.14118%0.184CC..EExtended strand (participates in β ladder)trans-75.2100.1175.6-65.50000110.3F65 K69 C70 I111 E271 P272F65-T67 PolarHBondContact O-N 2.99Å; T67-K69 HydrophobicContact CG2-CB 4.29Å; T67-K69 PolarHBondContact O-N 3.12Å; T67-K69 VanDerWaalsContact O-N 3.16Å; T67-C70 WeakPolarHBondContact O-CB 3.5Å; T67-C70 PolarHBondContact O-N 2.97Å; T67-I111 HydrophobicContact CG2-CD1 4.43Å; T67-E271 PolarHBondContact OG1-O 2.93Å; T67-P272 PolarHBondContact N-O 2.79Å
68V98Very high96.4Very high0 Ų026.6 Ų26.60%015%0.15CC..G310 helixtrans-59.3-32.3-171.9-178.10000112.7Y66 C70 N71 S72 L77 F87 A88 E94 V98Y66-V68 PolarHBondContact O-N 2.79Å; Y66-V68 VanDerWaalsContact O-N 3.13Å; V68-C70 PolarHBondContact O-N 3Å; V68-N71 CarbonylContact O-C 3.54Å; V68-N71 VanDerWaalsContact O-C 3.26Å; V68-N71 PolarHBondContact O-N 3.35Å; V68-S72 PolarHBondContact O-N 2.89Å; V68-L77 HydrophobicContact CG1-CD1 4.17Å; V68-L77 HydrophobicContact CG1-CD2 4.11Å; V68-L77 HydrophobicContact CG2-CD2 4.33Å; V68-F87 HydrophobicContact CG2-CB 4.06Å; V68-F87 HydrophobicContact CG2-CD1 3.81Å; V68-F87 HydrophobicContact CG2-CG 4.4Å; V68-A88 PolarHBondContact N-O 2.92Å; V68-A88 VanDerWaalsContact N-O 3.09Å; V68-E94 HydrophobicContact CB-CB 4.31Å; V68-E94 HydrophobicContact CB-CG 4.14Å; V68-E94 HydrophobicContact CG1-CB 4.01Å; V68-E94 HydrophobicContact CG1-CG 3.72Å; V68-V98 HydrophobicContact CG2-CG2 3.82Å
69K94.8Very high96.4Very high136 Ų13625.5 Ų25.559%0.59114%0.143SC*.G310 helixtrans-57.1-33.5178.5-172.9-173.2171.7-156.80112.6T67 N71T67-K69 HydrophobicContact CG2-CB 4.29Å; T67-K69 PolarHBondContact O-N 3.12Å; T67-K69 VanDerWaalsContact O-N 3.16Å; K69-N71 PolarHBondContact O-N 3.33Å
70C94.1Very high96.6Very high16 Ų1625.4 Ų25.411%0.10814%0.142CC..G310 helixtrans-64.2-41.9-177.5-69.60000112.2T67 V68 V277 D387T67-C70 WeakPolarHBondContact O-CB 3.5Å; T67-C70 PolarHBondContact O-N 2.97Å; V68-C70 PolarHBondContact O-N 3Å; C70-V277 HydrophobicContact CB-CG2 4.4Å; C70-D387 PolarHBondContact O-N 3.39Å
71N96.5Very high96.8Very high1 Ų122.4 Ų22.41%0.00512%0.118CC..  trans-156.1109.7171.4-166.8-35.2000109.4Y66 V68 K69 A73 V277 G385 F389Y66-N71 WeakPolarHBondContact CE1-O 3.22Å; Y66-N71 WeakPolarHBondContact OH-CA 3.46Å; Y66-N71 WeakPolarHBondContact OH-CB 3.48Å; Y66-N71 PolarHBondContact OH-N 3.3Å; Y66-N71 PolarHBondContact OH-O 2.9Å; V68-N71 CarbonylContact O-C 3.54Å; V68-N71 VanDerWaalsContact O-C 3.26Å; V68-N71 PolarHBondContact O-N 3.35Å; K69-N71 PolarHBondContact O-N 3.33Å; N71-A73 VanDerWaalsContact C-N 3.35Å; N71-A73 WeakPolarHBondContact OD1-CB 3.45Å; N71-A73 PolarHBondContact OD1-N 3.27Å; N71-V277 HydrophobicContact CB-CB 4.3Å; N71-V277 HydrophobicContact CB-CG1 4.22Å; N71-V277 HydrophobicContact CB-CG2 4.03Å; N71-G385 PolarHBondContact ND2-O 3.27Å; N71-F389 WeakPolarHBondContact ND2-CD2 3.39Å; N71-F389 WeakPolarHBondContact ND2-CE2 3.47Å; N71-F389 WeakPolarHBondContact OD1-CG 3.39Å
72S95.9Very high96.9Very high41 Ų4118.8 Ų18.829%0.28710%0.103SC..  trans-94.913.3-176.860.80000113.3V68 P74V68-S72 PolarHBondContact O-N 2.89Å; S72-P74 WeakPolarHBondContact O-CD 3.4Å
73A94.9Very high96.9Very high9 Ų919.6 Ų19.67%0.07411%0.108CC..  trans-59.3124.617700000110.4N71 A75 V76 L77 F389N71-A73 VanDerWaalsContact C-N 3.35Å; N71-A73 WeakPolarHBondContact OD1-CB 3.45Å; N71-A73 PolarHBondContact OD1-N 3.27Å; A73-A75 VanDerWaalsContact C-N 3.28Å; A73-A75 PolarHBondContact O-N 2.94Å; A73-A75 VanDerWaalsContact O-N 3.16Å; A73-V76 HydrophobicContact CB-CG2 4.2Å; A73-V76 WeakPolarHBondContact O-CB 3.44Å; A73-V76 PolarHBondContact O-N 3.44Å; A73-L77 PolarHBondContact O-N 3.03Å; A73-F389 HydrophobicContact CB-CD1 4.19Å
74P94.4Very high96.8Very high41 Ų4118.2 Ų18.227%0.26611%0.114SC..Hα-helixtrans-52.5-39.3-176.3-33.939.5000114.9Y10 S72 V76 L77 E78Y10-P74 HydrophobicContact CE1-CB 4.35Å; Y10-P74 WeakPolarHBondContact OH-CB 3.47Å; S72-P74 WeakPolarHBondContact O-CD 3.4Å; P74-V76 VanDerWaalsContact C-N 3.31Å; P74-V76 PolarHBondContact O-N 3.39Å; P74-L77 PolarHBondContact O-N 3.46Å; P74-L77 VanDerWaalsContact O-N 3.14Å; P74-E78 WeakPolarHBondContact O-CG 3.49Å; P74-E78 PolarHBondContact O-N 3.23Å
75A95.6Very high96.8Very high0 Ų018 Ų180%011%0.113CC..Hα-helixtrans-60.2-37.617600000113Y10 A73 I79 Y405 F429Y10-A75 HydrophobicContact CD1-CB 3.91Å; Y10-A75 HydrophobicContact CD2-CB 4.07Å; Y10-A75 HydrophobicContact CE1-CB 4.07Å; Y10-A75 HydrophobicContact CE2-CB 4.22Å; Y10-A75 HydrophobicContact CG-CB 3.92Å; A73-A75 VanDerWaalsContact C-N 3.28Å; A73-A75 PolarHBondContact O-N 2.94Å; A73-A75 VanDerWaalsContact O-N 3.16Å; A75-I79 WeakPolarHBondContact O-CG2 3.31Å; A75-I79 PolarHBondContact O-N 3.17Å; A75-I79 VanDerWaalsContact O-N 3.17Å; A75-Y405 HydrophobicContact CB-CD2 4.44Å; A75-Y405 HydrophobicContact CB-CE1 4.07Å; A75-Y405 HydrophobicContact CB-CE2 3.75Å; A75-F429 HydrophobicContact CB-CE1 4.17Å; A75-F429 HydrophobicContact CB-CZ 4.19Å; A75-F429 WeakPolarHBondContact O-CZ 3.44Å
76V97.7Very high96.7Very high0 Ų017.7 Ų17.70%011%0.112CC..Hα-helixtrans-68.2-41.3175.7173.50000110.5I48 Y66 A73 P74 I79 L80 V277 F281I48-V76 HydrophobicContact CD1-CG1 4.36Å; I48-V76 HydrophobicContact CD1-CG2 4.13Å; Y66-V76 HydrophobicContact CE1-CG1 4.41Å; A73-V76 HydrophobicContact CB-CG2 4.2Å; A73-V76 WeakPolarHBondContact O-CB 3.44Å; A73-V76 PolarHBondContact O-N 3.44Å; P74-V76 VanDerWaalsContact C-N 3.31Å; P74-V76 PolarHBondContact O-N 3.39Å; V76-I79 VanDerWaalsContact O-CG2 3.29Å; V76-I79 WeakPolarHBondContact O-CG2 3.33Å; V76-L80 HydrophobicContact CG1-CD1 3.81Å; V76-L80 WeakPolarHBondContact O-CB 3.44Å; V76-L80 WeakPolarHBondContact O-CD1 3.41Å; V76-L80 VanDerWaalsContact O-CG 3.24Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 3.48Å; V76-L80 VanDerWaalsContact O-N 3.14Å; V76-V277 HydrophobicContact CG1-CG1 3.73Å; V76-F281 HydrophobicContact CG2-CE2 4.04Å; V76-F281 HydrophobicContact CG2-CZ 3.66Å
77L98Very high96.7Very high0 Ų017.8 Ų17.80%011%0.112CC..Hα-helixtrans-68.7-41.2179.9-57.3-177.6000111.8Y66 V68 A73 P74 L80 A81 F87 L97 V98 L101Y66-L77 HydrophobicContact CD1-CD2 3.88Å; Y66-L77 HydrophobicContact CE1-CD2 3.78Å; V68-L77 HydrophobicContact CG1-CD1 4.17Å; V68-L77 HydrophobicContact CG1-CD2 4.11Å; V68-L77 HydrophobicContact CG2-CD2 4.33Å; A73-L77 PolarHBondContact O-N 3.03Å; P74-L77 PolarHBondContact O-N 3.46Å; P74-L77 VanDerWaalsContact O-N 3.14Å; L77-L80 PolarHBondContact O-N 3.45Å; L77-A81 VanDerWaalsContact O-CB 3.27Å; L77-A81 WeakPolarHBondContact O-CB 3.38Å; L77-A81 PolarHBondContact O-N 3.44Å; L77-F87 HydrophobicContact CB-CE1 4.2Å; L77-F87 HydrophobicContact CD2-CD1 4.14Å; L77-F87 HydrophobicContact CD2-CE1 3.76Å; L77-F87 WeakPolarHBondContact O-CZ 3.2Å; L77-L97 HydrophobicContact CD1-CD2 3.5Å; L77-L97 HydrophobicContact CD1-CG 3.82Å; L77-V98 HydrophobicContact CD1-CG2 4.48Å; L77-L101 HydrophobicContact CB-CD1 3.44Å; L77-L101 VanDerWaalsContact CB-CD1 3.44Å; L77-L101 HydrophobicContact CD1-CD1 4.08Å; L77-L101 HydrophobicContact CG-CD1 4.41Å
78E96.8Very high96.8Very high6 Ų616.7 Ų16.73%0.02811%0.105CC..Hα-helixtrans-65-45.1178.2-72.7-177.7-147.900112.2Y10 P74 L80 A81 A82 L101 N428 F429Y10-E78 WeakPolarHBondContact CE2-OE1 3.48Å; Y10-E78 WeakPolarHBondContact CE2-OE2 3.31Å; Y10-E78 PolarHBondContact OH-OE1 3.02Å; P74-E78 WeakPolarHBondContact O-CG 3.49Å; P74-E78 PolarHBondContact O-N 3.23Å; E78-L80 PolarHBondContact O-N 2.6Å; E78-A81 PolarHBondContact O-N 2.94Å; E78-A82 WeakPolarHBondContact O-CB 3.36Å; E78-A82 PolarHBondContact O-N 3.14Å; E78-L101 HydrophobicContact CG-CD1 4.13Å; E78-L101 HydrophobicContact CG-CD2 3.76Å; E78-L101 HydrophobicContact CG-CG 4.4Å; E78-N428 PolarHBondContact OE1-ND2 3.24Å; E78-N428 WeakPolarHBondContact OE2-CB 3.26Å; E78-N428 PolarHBondContact OE2-ND2 3.01Å; E78-F429 HydrophobicContact CB-CE2 3.69Å; E78-F429 HydrophobicContact CB-CZ 4.08Å
79I96.9Very high96.8Very high0 Ų016.7 Ų16.70%011%0.105CC..Hα-helixtrans-65-40.2178-164.1171.2000111.6L45 I48 V49 A75 V76 A82 L83 M407 M415 M426 F429L45-I79 HydrophobicContact CB-CD1 4.06Å; I48-I79 HydrophobicContact CG2-CG2 4.41Å; V49-I79 HydrophobicContact CG2-CD1 3.69Å; V49-I79 HydrophobicContact CG2-CG1 4.34Å; A75-I79 WeakPolarHBondContact O-CG2 3.31Å; A75-I79 PolarHBondContact O-N 3.17Å; A75-I79 VanDerWaalsContact O-N 3.17Å; V76-I79 VanDerWaalsContact O-CG2 3.29Å; V76-I79 WeakPolarHBondContact O-CG2 3.33Å; I79-A82 PolarHBondContact O-N 3.3Å; I79-L83 HydrophobicContact CG1-CD1 4.37Å; I79-L83 WeakPolarHBondContact O-CD1 3.32Å; I79-L83 VanDerWaalsContact O-CG 3.25Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 2.86Å; I79-M407 HydrophobicContact CD1-CE 4.09Å; I79-M415 HydrophobicContact CD1-CE 3.92Å; I79-M415 HydrophobicContact CD1-SD 4.31Å; I79-M415 HydrophobicContact CG1-CE 4Å; I79-M426 HydrophobicContact CB-SD 4.5Å; I79-M426 HydrophobicContact CG1-CE 4.43Å; I79-M426 HydrophobicContact CG1-SD 4.45Å; I79-F429 HydrophobicContact CB-CZ 4.28Å
80L98.3Very high96.9Very high0 Ų011.5 Ų11.50%09%0.086CC..Hα-helixtrans-68.1-35176.5-71.7172.5000112.5I48 Y66 V76 L77 E78 L83 G84 T85 F87 Y276I48-L80 HydrophobicContact CG2-CD2 3.73Å; I48-L80 HydrophobicContact CG2-CG 4.22Å; Y66-L80 HydrophobicContact CD1-CD1 3.67Å; Y66-L80 HydrophobicContact CD2-CD1 3.59Å; Y66-L80 HydrophobicContact CE1-CD1 4.06Å; Y66-L80 HydrophobicContact CE2-CD1 3.98Å; Y66-L80 HydrophobicContact CG-CD1 3.42Å; Y66-L80 VanDerWaalsContact CG-CD1 3.42Å; V76-L80 HydrophobicContact CG1-CD1 3.81Å; V76-L80 WeakPolarHBondContact O-CB 3.44Å; V76-L80 WeakPolarHBondContact O-CD1 3.41Å; V76-L80 VanDerWaalsContact O-CG 3.24Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 3.48Å; V76-L80 VanDerWaalsContact O-N 3.14Å; L77-L80 PolarHBondContact O-N 3.45Å; E78-L80 PolarHBondContact O-N 2.6Å; L80-L83 HydrophobicContact CD2-CD1 4.33Å; L80-L83 PolarHBondContact O-N 3.25Å; L80-G84 PolarHBondContact O-N 3.2Å; L80-T85 WeakPolarHBondContact O-CB 3.45Å; L80-T85 PolarHBondContact O-N 2.84Å; L80-T85 PolarHBondContact O-OG1 2.92Å; L80-T85 VanDerWaalsContact O-OG1 3.04Å; L80-F87 HydrophobicContact CB-CE1 4.37Å; L80-F87 HydrophobicContact CB-CZ 4.22Å; L80-Y276 HydrophobicContact CD2-CD1 3.73Å; L80-Y276 HydrophobicContact CD2-CE1 3.85Å; L80-Y276 HydrophobicContact CD2-CG 4.09Å
81A97.4Very high97Very high16 Ų1612.1 Ų12.113%0.1329%0.09CC..Hα-helixtrans-65.9-43.8173.500000111.3L77 E78 L83 G84 F87 V103L77-A81 VanDerWaalsContact O-CB 3.27Å; L77-A81 WeakPolarHBondContact O-CB 3.38Å; L77-A81 PolarHBondContact O-N 3.44Å; E78-A81 PolarHBondContact O-N 2.94Å; A81-L83 VanDerWaalsContact C-N 3.26Å; A81-L83 PolarHBondContact O-N 2.95Å; A81-G84 WeakPolarHBondContact O-CA 3.31Å; A81-G84 PolarHBondContact O-N 3.19Å; A81-F87 HydrophobicContact CB-CE2 3.92Å; A81-F87 HydrophobicContact CB-CZ 3.87Å; A81-V103 HydrophobicContact CB-CG2 3.85Å
82A96.3Very high97.1Very high14 Ų1416.5 Ų16.512%0.11611%0.11CC..Hα-helixtrans-63.8-30.9175.300000112.5E78 I79 G84 I420 M425 M426E78-A82 WeakPolarHBondContact O-CB 3.36Å; E78-A82 PolarHBondContact O-N 3.14Å; I79-A82 PolarHBondContact O-N 3.3Å; A82-G84 PolarHBondContact O-N 2.79Å; A82-I420 HydrophobicContact CB-CG2 3.85Å; A82-M425 HydrophobicContact CB-CB 4.08Å; A82-M426 HydrophobicContact CB-CG 3.67Å; A82-M426 HydrophobicContact CB-SD 3.6Å
83L96.4Very high97.1Very high20 Ų2019.4 Ų19.411%0.10512%0.122CC..THydrogen-bonded Turntrans-73.4-5.5170.8-70.5163.8000113.6V49 H52 I79 L80 A81 I420V49-L83 HydrophobicContact CG1-CD2 4.45Å; V49-L83 HydrophobicContact CG2-CD1 4.34Å; H52-L83 HydrophobicContact CB-CD1 3.98Å; H52-L83 HydrophobicContact CB-CD2 4.34Å; H52-L83 PolarHBondContact NE2-O 2.8Å; I79-L83 HydrophobicContact CG1-CD1 4.37Å; I79-L83 WeakPolarHBondContact O-CD1 3.32Å; I79-L83 VanDerWaalsContact O-CG 3.25Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 2.86Å; L80-L83 HydrophobicContact CD2-CD1 4.33Å; L80-L83 PolarHBondContact O-N 3.25Å; A81-L83 VanDerWaalsContact C-N 3.26Å; A81-L83 PolarHBondContact O-N 2.95Å; L83-I420 HydrophobicContact CD2-CD1 3.63Å
84G96.1Very high97.2Very high45 Ų4520.1 Ų20.146%0.46412%0.124SC..THydrogen-bonded Turntrans83.513.417800000115.2K63 L80 A81 A82K63-G84 WeakPolarHBondContact CE-O 3.29Å; L80-G84 PolarHBondContact O-N 3.2Å; A81-G84 WeakPolarHBondContact O-CA 3.31Å; A81-G84 PolarHBondContact O-N 3.19Å; A82-G84 PolarHBondContact O-N 2.79Å
85T97.9Very high97.4Very high4 Ų418.2 Ų18.23%0.02511%0.111CC..  trans-67.4146.9177.7-48.10000110.2P64 L80P64-T85 HydrophobicContact CB-CG2 4.11Å; P64-T85 HydrophobicContact CG-CG2 4.09Å; P64-T85 WeakPolarHBondContact O-CG2 3.34Å; L80-T85 WeakPolarHBondContact O-CB 3.45Å; L80-T85 PolarHBondContact O-N 2.84Å; L80-T85 PolarHBondContact O-OG1 2.92Å; L80-T85 VanDerWaalsContact O-OG1 3.04Å
86G98.6Very high97.5Very high0 Ų019.7 Ų19.70%012%0.123CC..EExtended strand (participates in β ladder)trans-81.4179.7165.700000111.7P64 F65 Y66 N107P64-G86 PolarHBondContact O-N 3.13Å; F65-G86 CarbonylContact C-O 3.56Å; F65-G86 WeakPolarHBondContact CA-O 3.32Å; Y66-G86 PolarHBondContact N-O 3.49Å; G86-N107 CarbonylContact C-O 3.56Å; G86-N107 VanDerWaalsContact CA-O 3.31Å; G86-N107 WeakPolarHBondContact CA-O 3.24Å
87F98.8Very high97.5Very high1 Ų121.3 Ų21.30%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-133.7123.8178.8-66.3-88.3000111.9Y66 V68 L77 L80 A81 V98 V103 N107 I108 I109Y66-F87 HydrophobicContact CD1-CD1 4.22Å; Y66-F87 HydrophobicContact CD1-CE1 4.26Å; Y66-F87 WeakPolarHBondContact O-CA 3.38Å; V68-F87 HydrophobicContact CG2-CB 4.06Å; V68-F87 HydrophobicContact CG2-CD1 3.81Å; V68-F87 HydrophobicContact CG2-CG 4.4Å; L77-F87 HydrophobicContact CB-CE1 4.2Å; L77-F87 HydrophobicContact CD2-CD1 4.14Å; L77-F87 HydrophobicContact CD2-CE1 3.76Å; L77-F87 WeakPolarHBondContact O-CZ 3.2Å; L80-F87 HydrophobicContact CB-CE1 4.37Å; L80-F87 HydrophobicContact CB-CZ 4.22Å; A81-F87 HydrophobicContact CB-CE2 3.92Å; A81-F87 HydrophobicContact CB-CZ 3.87Å; F87-V98 HydrophobicContact CB-CG1 3.86Å; F87-V98 HydrophobicContact CB-CG2 4.08Å; F87-V98 HydrophobicContact CD1-CG1 4.46Å; F87-V98 HydrophobicContact CD1-CG2 4.04Å; F87-V98 HydrophobicContact CD2-CG1 3.7Å; F87-V98 HydrophobicContact CE2-CG1 4.38Å; F87-V98 HydrophobicContact CG-CG1 3.73Å; F87-V98 HydrophobicContact CG-CG2 4.01Å; F87-V103 HydrophobicContact CD2-CB 4.5Å; F87-V103 HydrophobicContact CD2-CG1 3.81Å; F87-V103 HydrophobicContact CD2-CG2 4.13Å; F87-V103 HydrophobicContact CE2-CB 4.49Å; F87-V103 HydrophobicContact CE2-CG1 4.07Å; F87-V103 HydrophobicContact CE2-CG2 3.68Å; F87-V103 HydrophobicContact CZ-CG2 4.47Å; F87-N107 PolarHBondContact N-O 2.92Å; F87-I108 WeakPolarHBondContact O-CA 3.39Å; F87-I109 PolarHBondContact O-N 2.82Å
88A98.6Very high97.4Very high0 Ų021.4 Ų21.40%013%0.132CC..EExtended strand (participates in β ladder)trans-91.6108.717100000109F65 Y66 V68 I111 E271F65-A88 HydrophobicContact CB-CB 4.35Å; Y66-A88 PolarHBondContact O-N 2.82Å; V68-A88 PolarHBondContact N-O 2.92Å; V68-A88 VanDerWaalsContact N-O 3.09Å; A88-I111 HydrophobicContact CB-CD1 4.02Å; A88-I111 HydrophobicContact CB-CG1 4.32Å; A88-I111 HydrophobicContact CB-CG2 3.91Å; A88-E271 HydrophobicContact CB-CB 4.42Å; A88-E271 HydrophobicContact CB-CG 4.11Å
89C98.5Very high97.4Very high0 Ų023.4 Ų23.40%014%0.142CC..EExtended strand (participates in β ladder)trans-103.1139.1-178.2-65.70000110.8E94 M95 I108 I109 Y110 I111C89-E94 HydrophobicContact CB-CB 4Å; C89-M95 HydrophobicContact CB-CG 3.55Å; C89-I108 HydrophobicContact CB-CG2 4.41Å; C89-I109 PolarHBondContact N-O 3.36Å; C89-Y110 CarbonylContact O-C 3.52Å; C89-Y110 WeakPolarHBondContact O-CA 3.39Å; C89-Y110 VanDerWaalsContact O-CD2 3.26Å; C89-Y110 WeakPolarHBondContact O-CD2 3.44Å; C89-I111 VanDerWaalsContact O-CG1 3.25Å; C89-I111 WeakPolarHBondContact O-CG1 3.48Å; C89-I111 PolarHBondContact O-N 2.74Å
90S96.5Very high97.4Very high28 Ų2829 Ų2920%0.19617%0.168CC..  trans-109.8-8.9178.477.40000113.3E94 Y110 S112S90-E94 PolarHBondContact N-OE2 2.76Å; S90-E94 PolarHBondContact OG-OE1 3.48Å; S90-E94 PolarHBondContact OG-OE2 2.86Å; S90-E94 VanDerWaalsContact OG-OE2 3.11Å; S90-Y110 WeakPolarHBondContact O-CE2 3.19Å; S90-S112 WeakPolarHBondContact O-CB 3.26Å
91S97.3Very high97.1Very high28 Ų2830.2 Ų30.220%0.19617%0.174CC..SBendtrans-139.4165.1-179.674.60000113.4N93 E94 M95S91-N93 VanDerWaalsContact C-N 3.28Å; S91-N93 PolarHBondContact O-N 2.79Å; S91-E94 WeakPolarHBondContact CB-OE1 3.25Å; S91-E94 VanDerWaalsContact OG-CD 3.24Å; S91-E94 VanDerWaalsContact OG-CG 3.29Å; S91-E94 WeakPolarHBondContact OG-CG 3.41Å; S91-E94 PolarHBondContact OG-N 3.17Å; S91-E94 PolarHBondContact OG-OE1 2.95Å; S91-M95 PolarHBondContact O-N 3.27Å
92K97.3Very high97Very high94 Ų9431.8 Ų31.841%0.40919%0.192SC..Hα-helixtrans-60.7-38.6172.1167.5-178171.2-1590112M95 A96 Q119 Y122K92-M95 PolarHBondContact O-N 2.7Å; K92-A96 WeakPolarHBondContact O-CB 3.44Å; K92-A96 PolarHBondContact O-N 2.96Å; K92-Q119 HydrophobicContact CB-CG 4.18Å; K92-Y122 HydrophobicContact CB-CD1 4.32Å; K92-Y122 HydrophobicContact CD-CD1 4.4Å; K92-Y122 HydrophobicContact CD-CD2 4.03Å; K92-Y122 HydrophobicContact CD-CE2 4.49Å; K92-Y122 HydrophobicContact CD-CG 3.96Å; K92-Y122 HydrophobicContact CG-CD1 3.69Å; K92-Y122 HydrophobicContact CG-CD2 4.08Å; K92-Y122 HydrophobicContact CG-CE1 3.91Å; K92-Y122 HydrophobicContact CG-CE2 4.28Å; K92-Y122 HydrophobicContact CG-CG 3.77Å
93N96.4Very high97.1Very high102 Ų10231.7 Ų31.755%0.54519%0.19SC..Hα-helixtrans-71.3-39.2-175.5-66.3-10.3000110.4S91 A96 L97S91-N93 VanDerWaalsContact C-N 3.28Å; S91-N93 PolarHBondContact O-N 2.79Å; N93-A96 WeakPolarHBondContact O-CB 2.95Å; N93-A96 PolarHBondContact O-N 3.42Å; N93-A96 VanDerWaalsContact O-N 3.16Å; N93-L97 WeakPolarHBondContact O-CB 3.42Å; N93-L97 PolarHBondContact O-N 3.1Å
94E98.1Very high97.1Very high24 Ų2432.9 Ų32.911%0.11220%0.2CC..Hα-helixtrans-61.2-46.7172.2-70158.5-125.100111.7V68 C89 S90 S91 A96 L97 V98V68-E94 HydrophobicContact CB-CB 4.31Å; V68-E94 HydrophobicContact CB-CG 4.14Å; V68-E94 HydrophobicContact CG1-CB 4.01Å; V68-E94 HydrophobicContact CG1-CG 3.72Å; C89-E94 HydrophobicContact CB-CB 4Å; S90-E94 PolarHBondContact N-OE2 2.76Å; S90-E94 PolarHBondContact OG-OE1 3.48Å; S90-E94 PolarHBondContact OG-OE2 2.86Å; S90-E94 VanDerWaalsContact OG-OE2 3.11Å; S91-E94 WeakPolarHBondContact CB-OE1 3.25Å; S91-E94 VanDerWaalsContact OG-CD 3.24Å; S91-E94 VanDerWaalsContact OG-CG 3.29Å; S91-E94 WeakPolarHBondContact OG-CG 3.41Å; S91-E94 PolarHBondContact OG-N 3.17Å; S91-E94 PolarHBondContact OG-OE1 2.95Å; E94-A96 PolarHBondContact O-N 2.72Å; E94-L97 PolarHBondContact O-N 3.4Å; E94-V98 WeakPolarHBondContact O-CG2 3.34Å; E94-V98 PolarHBondContact O-N 2.91Å
95M98.3Very high97.2Very high0 Ų032.3 Ų32.30%019%0.188CC..Hα-helixtrans-61.4-31.6175.1-73.5-171.8-75.600112.9C89 S91 K92 Q99 I108 Y110 Y122 A123 V128C89-M95 HydrophobicContact CB-CG 3.55Å; S91-M95 PolarHBondContact O-N 3.27Å; K92-M95 PolarHBondContact O-N 2.7Å; M95-Q99 WeakPolarHBondContact O-CB 3.35Å; M95-Q99 WeakPolarHBondContact O-CG 3.33Å; M95-Q99 PolarHBondContact O-N 2.82Å; M95-Q99 PolarHBondContact O-NE2 2.92Å; M95-I108 HydrophobicContact CG-CG2 4.28Å; M95-Y110 HydrophobicContact CE-CD1 4.3Å; M95-Y110 HydrophobicContact CE-CD2 3.87Å; M95-Y110 HydrophobicContact CE-CE1 4.38Å; M95-Y110 HydrophobicContact CE-CE2 4.02Å; M95-Y110 HydrophobicContact CE-CG 4.07Å; M95-Y110 HydrophobicContact SD-CD2 4.12Å; M95-Y110 HydrophobicContact SD-CG 4.07Å; M95-Y122 HydrophobicContact CB-CE1 3.99Å; M95-Y122 HydrophobicContact CE-CD1 4.05Å; M95-A123 HydrophobicContact CE-CB 4.24Å; M95-A123 HydrophobicContact SD-CB 4.07Å; M95-V128 HydrophobicContact SD-CB 4.27Å; M95-V128 HydrophobicContact SD-CG1 4.04Å; M95-V128 HydrophobicContact SD-CG2 4.34Å
96A97.9Very high97.2Very high31 Ų3137.8 Ų37.826%0.25621%0.213SC..Hα-helixtrans-71.5-48.9175.600000111K92 N93 E94 Q99 E100 Y122K92-A96 WeakPolarHBondContact O-CB 3.44Å; K92-A96 PolarHBondContact O-N 2.96Å; N93-A96 WeakPolarHBondContact O-CB 2.95Å; N93-A96 PolarHBondContact O-N 3.42Å; N93-A96 VanDerWaalsContact O-N 3.16Å; E94-A96 PolarHBondContact O-N 2.72Å; A96-Q99 PolarHBondContact O-N 3.26Å; A96-E100 WeakPolarHBondContact O-CB 3.42Å; A96-E100 PolarHBondContact O-N 2.94Å; A96-Y122 WeakPolarHBondContact CA-OH 3.5Å; A96-Y122 VanDerWaalsContact CB-OH 3.26Å; A96-Y122 WeakPolarHBondContact CB-OH 3.4Å
97L96.2Very high97.1Very high35 Ų3540 Ų4018%0.18323%0.225CC..Hα-helixtrans-57-52.2179.4176.860.4000111.3I5 L77 N93 E94 Q99 E100 L101I5-L97 HydrophobicContact CD1-CD1 4.2Å; L77-L97 HydrophobicContact CD1-CD2 3.5Å; L77-L97 HydrophobicContact CD1-CG 3.82Å; N93-L97 WeakPolarHBondContact O-CB 3.42Å; N93-L97 PolarHBondContact O-N 3.1Å; E94-L97 PolarHBondContact O-N 3.4Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 2.93Å; L97-E100 WeakPolarHBondContact O-CB 3.25Å; L97-E100 PolarHBondContact O-N 3.21Å; L97-E100 VanDerWaalsContact O-N 3.13Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 3.46Å; L97-L101 VanDerWaalsContact O-N 3.14Å
98V97.6Very high97.1Very high1 Ų140 Ų401%0.00623%0.225CC..Hα-helixtrans-60.2-39.4-179.4171.10000111.9V68 L77 F87 E94 L101 V103 I108V68-V98 HydrophobicContact CG2-CG2 3.82Å; L77-V98 HydrophobicContact CD1-CG2 4.48Å; F87-V98 HydrophobicContact CB-CG1 3.86Å; F87-V98 HydrophobicContact CB-CG2 4.08Å; F87-V98 HydrophobicContact CD1-CG1 4.46Å; F87-V98 HydrophobicContact CD1-CG2 4.04Å; F87-V98 HydrophobicContact CD2-CG1 3.7Å; F87-V98 HydrophobicContact CE2-CG1 4.38Å; F87-V98 HydrophobicContact CG-CG1 3.73Å; F87-V98 HydrophobicContact CG-CG2 4.01Å; E94-V98 WeakPolarHBondContact O-CG2 3.34Å; E94-V98 PolarHBondContact O-N 2.91Å; V98-L101 PolarHBondContact O-N 2.99Å; V98-V103 HydrophobicContact CG1-CB 3.59Å; V98-V103 HydrophobicContact CG1-CG1 3.79Å; V98-V103 HydrophobicContact CG1-CG2 3.88Å; V98-V103 VanDerWaalsContact O-CB 3.31Å; V98-V103 WeakPolarHBondContact O-CB 3.32Å; V98-V103 WeakPolarHBondContact O-CG2 3.3Å; V98-V103 PolarHBondContact O-N 3.27Å; V98-I108 HydrophobicContact CB-CD1 4.3Å; V98-I108 HydrophobicContact CG1-CD1 3.64Å; V98-I108 HydrophobicContact CG1-CG1 3.87Å
99Q96.4Very high97.1Very high48 Ų4840 Ų4022%0.22423%0.225CC..Hα-helixtrans-73.2-32.6176.4-77.4179.891.500113.5M95 A96 L97 L101 G102 I108 V126M95-Q99 WeakPolarHBondContact O-CB 3.35Å; M95-Q99 WeakPolarHBondContact O-CG 3.33Å; M95-Q99 PolarHBondContact O-N 2.82Å; M95-Q99 PolarHBondContact O-NE2 2.92Å; A96-Q99 PolarHBondContact O-N 3.26Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 2.93Å; Q99-L101 PolarHBondContact O-N 3.33Å; Q99-G102 WeakPolarHBondContact O-CA 3.34Å; Q99-G102 PolarHBondContact O-N 3.48Å; Q99-I108 HydrophobicContact CG-CD1 3.63Å; Q99-V126 PolarHBondContact OE1-O 2.91Å
100E95.3Very high97.1Very high119 Ų11940 Ų4056%0.55623%0.225SC*.Hα-helixtrans-63.9-32.6175.6-173169.6-18000111.5I5 A96 L97 G102I5-E100 HydrophobicContact CD1-CB 4.48Å; I5-E100 HydrophobicContact CD1-CG 3.82Å; I5-E100 WeakPolarHBondContact CD1-OE1 3.17Å; A96-E100 WeakPolarHBondContact O-CB 3.42Å; A96-E100 PolarHBondContact O-N 2.94Å; L97-E100 WeakPolarHBondContact O-CB 3.25Å; L97-E100 PolarHBondContact O-N 3.21Å; L97-E100 VanDerWaalsContact O-N 3.13Å; E100-G102 PolarHBondContact O-N 3.48Å
101L93.9Very high97.1Very high24 Ų2440 Ų4013%0.12622%0.223CC..THydrogen-bonded Turntrans-70.3-4.5170.4-60.5177.6000113.6L77 E78 L97 V98 Q99L77-L101 HydrophobicContact CB-CD1 3.44Å; L77-L101 VanDerWaalsContact CB-CD1 3.44Å; L77-L101 HydrophobicContact CD1-CD1 4.08Å; L77-L101 HydrophobicContact CG-CD1 4.41Å; E78-L101 HydrophobicContact CG-CD1 4.13Å; E78-L101 HydrophobicContact CG-CD2 3.76Å; E78-L101 HydrophobicContact CG-CG 4.4Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 3.46Å; L97-L101 VanDerWaalsContact O-N 3.14Å; V98-L101 PolarHBondContact O-N 2.99Å; Q99-L101 PolarHBondContact O-N 3.33Å
102G94.9Very high97Very high49 Ų4939.4 Ų39.451%0.50522%0.219SC..THydrogen-bonded Turntrans91.97.4177.100000114.8Q99 E100 S104Q99-G102 WeakPolarHBondContact O-CA 3.34Å; Q99-G102 PolarHBondContact O-N 3.48Å; E100-G102 PolarHBondContact O-N 3.48Å; G102-S104 PolarHBondContact O-N 3Å
103V97.1Very high96.7Very high12 Ų1237 Ų377%0.07321%0.212CC..  trans-69.9130.9177.5179.30000110.5A81 F87 V98 N107 I108A81-V103 HydrophobicContact CB-CG2 3.85Å; F87-V103 HydrophobicContact CD2-CB 4.5Å; F87-V103 HydrophobicContact CD2-CG1 3.81Å; F87-V103 HydrophobicContact CD2-CG2 4.13Å; F87-V103 HydrophobicContact CE2-CB 4.49Å; F87-V103 HydrophobicContact CE2-CG1 4.07Å; F87-V103 HydrophobicContact CE2-CG2 3.68Å; F87-V103 HydrophobicContact CZ-CG2 4.47Å; V98-V103 HydrophobicContact CG1-CB 3.59Å; V98-V103 HydrophobicContact CG1-CG1 3.79Å; V98-V103 HydrophobicContact CG1-CG2 3.88Å; V98-V103 VanDerWaalsContact O-CB 3.31Å; V98-V103 WeakPolarHBondContact O-CB 3.32Å; V98-V103 WeakPolarHBondContact O-CG2 3.3Å; V98-V103 PolarHBondContact O-N 3.27Å; V103-N107 HydrophobicContact CG1-CB 4.12Å; V103-I108 HydrophobicContact CG1-CG1 4.22Å
104S97.4Very high96.6Very high45 Ų4536.5 Ų36.532%0.31522%0.216SC..  trans-72.4142.6-177.7-158.30000112.8G102 E106 N107G102-S104 PolarHBondContact O-N 3Å; S104-E106 VanDerWaalsContact CB-CD 3.41Å; S104-E106 WeakPolarHBondContact CB-OE1 3.48Å; S104-E106 PolarHBondContact O-N 3.18Å; S104-E106 VanDerWaalsContact O-N 3.11Å; S104-E106 PolarHBondContact OG-OE1 3.35Å; S104-E106 PolarHBondContact OG-OE2 2.89Å; S104-N107 PolarHBondContact O-N 3.2Å
105P97.9Very high96.5Very high34 Ų3435.5 Ų35.522%0.22121%0.211CC..G310 helixtrans-58.8-24.7-175.8-26.435.2000116N107 I108 V126 G127 V128P105-N107 PolarHBondContact O-N 3.18Å; P105-I108 PolarHBondContact O-N 3.43Å; P105-V126 WeakPolarHBondContact CG-O 3.36Å; P105-G127 WeakPolarHBondContact CB-O 3.44Å; P105-V128 HydrophobicContact CB-CG2 4.13Å
106E97.4Very high96.5Very high119 Ų11941.1 Ų41.156%0.55624%0.238SC*.G310 helixtrans-67.6-17.9174.361.8-86.2-17100114.1S104S104-E106 VanDerWaalsContact CB-CD 3.41Å; S104-E106 WeakPolarHBondContact CB-OE1 3.48Å; S104-E106 PolarHBondContact O-N 3.18Å; S104-E106 VanDerWaalsContact O-N 3.11Å; S104-E106 PolarHBondContact OG-OE1 3.35Å; S104-E106 PolarHBondContact OG-OE2 2.89Å
107N98.1Very high96.6Very high47 Ų4742.5 Ų42.525%0.25124%0.243SC..G310 helixtrans-98.916.2174.7-69.6-43.7000111.9K63 F65 G86 F87 V103 S104 P105K63-N107 PolarHBondContact NZ-OD1 3.17Å; F65-N107 WeakPolarHBondContact CE1-O 3.18Å; G86-N107 CarbonylContact C-O 3.56Å; G86-N107 VanDerWaalsContact CA-O 3.31Å; G86-N107 WeakPolarHBondContact CA-O 3.24Å; F87-N107 PolarHBondContact N-O 2.92Å; V103-N107 HydrophobicContact CG1-CB 4.12Å; S104-N107 PolarHBondContact O-N 3.2Å; P105-N107 PolarHBondContact O-N 3.18Å
108I98.8Very high96.7Very high0 Ų044.1 Ų44.10%026%0.257CS..EExtended strand (participates in β ladder)trans-120.2132.4177.8-56.4176.8000109.9F87 C89 M95 V98 Q99 V103 P105 V128F87-I108 WeakPolarHBondContact O-CA 3.39Å; C89-I108 HydrophobicContact CB-CG2 4.41Å; M95-I108 HydrophobicContact CG-CG2 4.28Å; V98-I108 HydrophobicContact CB-CD1 4.3Å; V98-I108 HydrophobicContact CG1-CD1 3.64Å; V98-I108 HydrophobicContact CG1-CG1 3.87Å; Q99-I108 HydrophobicContact CG-CD1 3.63Å; V103-I108 HydrophobicContact CG1-CG1 4.22Å; P105-I108 PolarHBondContact O-N 3.43Å; I108-V128 HydrophobicContact CB-CG1 4.31Å; I108-V128 HydrophobicContact CB-CG2 4.06Å; I108-V128 HydrophobicContact CD1-CG2 4.21Å; I108-V128 HydrophobicContact CG2-CG1 3.93Å; I108-V128 HydrophobicContact CG2-CG2 3.95Å
109I98.6Very high96.7Very high0 Ų045.7 Ų45.70%026%0.264CS..EExtended strand (participates in β ladder)trans-119.7133.2173.4-58.4177000109F65 F87 C89 I111 I130 I269F65-I109 HydrophobicContact CD1-CB 4.41Å; F65-I109 HydrophobicContact CD1-CD1 3.58Å; F65-I109 HydrophobicContact CD1-CG1 3.68Å; F65-I109 HydrophobicContact CD2-CD1 4.36Å; F65-I109 HydrophobicContact CE1-CD1 3.61Å; F65-I109 HydrophobicContact CE1-CG1 3.62Å; F65-I109 HydrophobicContact CE2-CD1 4.39Å; F65-I109 HydrophobicContact CG-CD1 3.99Å; F65-I109 HydrophobicContact CZ-CD1 4.04Å; F65-I109 HydrophobicContact CZ-CG1 4.42Å; F87-I109 PolarHBondContact O-N 2.82Å; C89-I109 PolarHBondContact N-O 3.36Å; I109-I111 HydrophobicContact CB-CG2 4.26Å; I109-I111 HydrophobicContact CG2-CG2 3.7Å; I109-I130 HydrophobicContact CB-CG2 4.49Å; I109-I130 HydrophobicContact CD1-CG2 4.27Å; I109-I130 HydrophobicContact CG1-CB 4.14Å; I109-I130 HydrophobicContact CG1-CG2 3.9Å; I109-I130 HydrophobicContact CG2-CG2 4.06Å; I109-I269 HydrophobicContact CD1-CD1 3.11Å
110Y98.6Very high96.8Very high0 Ų043.4 Ų43.40%025%0.254CS..EExtended strand (participates in β ladder)trans-96.2103.6177.7-176.2-141.9000111.9C89 S90 M95 K115 Q119 I130 M131 T132C89-Y110 CarbonylContact O-C 3.52Å; C89-Y110 WeakPolarHBondContact O-CA 3.39Å; C89-Y110 VanDerWaalsContact O-CD2 3.26Å; C89-Y110 WeakPolarHBondContact O-CD2 3.44Å; S90-Y110 WeakPolarHBondContact O-CE2 3.19Å; M95-Y110 HydrophobicContact CE-CD1 4.3Å; M95-Y110 HydrophobicContact CE-CD2 3.87Å; M95-Y110 HydrophobicContact CE-CE1 4.38Å; M95-Y110 HydrophobicContact CE-CE2 4.02Å; M95-Y110 HydrophobicContact CE-CG 4.07Å; M95-Y110 HydrophobicContact SD-CD2 4.12Å; M95-Y110 HydrophobicContact SD-CG 4.07Å; Y110-K115 HydrophobicContact CD1-CD 3.66Å; Y110-K115 HydrophobicContact CD1-CG 4.16Å; Y110-K115 HydrophobicContact CE1-CB 3.97Å; Y110-K115 HydrophobicContact CE1-CD 3.45Å; Y110-K115 VanDerWaalsContact CE1-CD 3.45Å; Y110-K115 HydrophobicContact CE1-CG 3.47Å; Y110-K115 VanDerWaalsContact CE1-CG 3.47Å; Y110-K115 PolarHBondContact O-NZ 3.06Å; Y110-Q119 HydrophobicContact CE1-CB 4.36Å; Y110-Q119 PolarHBondContact OH-OE1 2.78Å; Y110-I130 PolarHBondContact N-O 3.09Å; Y110-M131 WeakPolarHBondContact O-CA 3.24Å; Y110-M131 WeakPolarHBondContact O-CB 3.44Å; Y110-T132 PolarHBondContact O-N 2.81Å; Y110-T132 VanDerWaalsContact O-N 3.17Å; Y110-T132 PolarHBondContact O-OG1 3.37Å
111I96.3Very high97Very high27 Ų2743.3 Ų43.314%0.13825%0.252CS..  trans-101.2-4.4-162.463.7153.8000115.4T67 A88 C89 I109 T132 E271T67-I111 HydrophobicContact CG2-CD1 4.43Å; A88-I111 HydrophobicContact CB-CD1 4.02Å; A88-I111 HydrophobicContact CB-CG1 4.32Å; A88-I111 HydrophobicContact CB-CG2 3.91Å; C89-I111 VanDerWaalsContact O-CG1 3.25Å; C89-I111 WeakPolarHBondContact O-CG1 3.48Å; C89-I111 PolarHBondContact O-N 2.74Å; I109-I111 HydrophobicContact CB-CG2 4.26Å; I109-I111 HydrophobicContact CG2-CG2 3.7Å; I111-T132 WeakPolarHBondContact CA-OG1 3.28Å; I111-T132 HydrophobicContact CB-CG2 4.4Å; I111-T132 HydrophobicContact CG2-CG2 4.27Å; I111-T132 PolarHBondContact O-OG1 3.08Å; I111-E271 WeakPolarHBondContact CG2-OE1 3.42Å
112S95.6Very high97.2Very high17 Ų1744.4 Ų44.412%0.11925%0.254CS..  trans-54.5131.1-177.7-173.80000112.2S90 C114 K115S90-S112 WeakPolarHBondContact O-CB 3.26Å; S112-C114 VanDerWaalsContact C-N 3.26Å; S112-C114 PolarHBondContact O-N 3.07Å; S112-K115 WeakPolarHBondContact O-CG 3.09Å; S112-K115 PolarHBondContact O-NZ 2.93Å
113P90.1Very high97.4Very high42 Ų4242 Ų4227%0.27323%0.23SC..SBendtrans-72.1-20.6178.528-34.2000113.1F170P113-F170 HydrophobicContact CB-CD1 3.51Å; P113-F170 HydrophobicContact CB-CE1 3.59Å; P113-F170 HydrophobicContact CB-CG 4.17Å; P113-F170 HydrophobicContact CB-CZ 4.31Å; P113-F170 HydrophobicContact CG-CD1 3.97Å; P113-F170 HydrophobicContact CG-CE1 3.55Å; P113-F170 HydrophobicContact CG-CE2 4.45Å; P113-F170 HydrophobicContact CG-CZ 3.82Å
114C93.6Very high97.4Very high93 Ų9343 Ų4363%0.62824%0.239SC*.SBendtrans-130.579.6-174.6-72.20000110.6S112S112-C114 VanDerWaalsContact C-N 3.26Å; S112-C114 PolarHBondContact O-N 3.07Å
115K97.3Very high97.5Very high2 Ų249.4 Ų49.41%0.00926%0.261CS..  trans-78.5131.2-174.1-56.4176.9-148.1-59.90111.7Y110 S112 I120 T132 E138 K141Y110-K115 HydrophobicContact CD1-CD 3.66Å; Y110-K115 HydrophobicContact CD1-CG 4.16Å; Y110-K115 HydrophobicContact CE1-CB 3.97Å; Y110-K115 HydrophobicContact CE1-CD 3.45Å; Y110-K115 VanDerWaalsContact CE1-CD 3.45Å; Y110-K115 HydrophobicContact CE1-CG 3.47Å; Y110-K115 VanDerWaalsContact CE1-CG 3.47Å; Y110-K115 PolarHBondContact O-NZ 3.06Å; S112-K115 WeakPolarHBondContact O-CG 3.09Å; S112-K115 PolarHBondContact O-NZ 2.93Å; K115-I120 HydrophobicContact CB-CD1 3.9Å; K115-I120 HydrophobicContact CB-CG1 3.82Å; K115-I120 HydrophobicContact CD-CG1 4.33Å; K115-T132 WeakPolarHBondContact CE-O 3.29Å; K115-T132 PolarHBondContact NZ-O 2.93Å; K115-T132 VanDerWaalsContact NZ-O 3.12Å; K115-T132 PolarHBondContact NZ-OG1 3.42Å; K115-T132 VanDerWaalsContact NZ-OG1 3.1Å; K115-E138 VanDerWaalsContact CG-OE2 3.3Å; K115-E138 WeakPolarHBondContact CG-OE2 3.37Å; K115-E138 PolarHBondContact N-OE1 2.69Å; K115-E138 PolarHBondContact N-OE2 3.13Å; K115-K141 PolarHBondContact O-NZ 3.48Å
116Q98.2Very high97.5Very high119 Ų11949.3 Ų49.356%0.55626%0.26SS*.  trans-79.7146.4169.2-62.4-172.212.800110.7S118 Q119 I120Q116-S118 PolarHBondContact O-N 2.79Å; Q116-Q119 HydrophobicContact CB-CB 4.46Å; Q116-Q119 HydrophobicContact CB-CG 4.11Å; Q116-Q119 VanDerWaalsContact N-OE1 3.11Å; Q116-Q119 WeakPolarHBondContact O-CA 3.27Å; Q116-Q119 WeakPolarHBondContact O-CB 3.43Å; Q116-Q119 PolarHBondContact O-N 3.39Å; Q116-I120 PolarHBondContact O-N 3.04Å
117V98.5Very high97.6Very high59 Ų5944.9 Ų44.936%0.35825%0.247SC..Hα-helixtrans-56.2-37.5177.1171.30000111.9Q119 I120 K121 K141V117-Q119 VanDerWaalsContact C-N 3.31Å; V117-Q119 PolarHBondContact O-N 3.19Å; V117-I120 PolarHBondContact O-N 3.02Å; V117-K121 HydrophobicContact CG1-CD 4.32Å; V117-K121 HydrophobicContact CG1-CG 4.48Å; V117-K121 WeakPolarHBondContact O-CB 3.36Å; V117-K121 WeakPolarHBondContact O-CG 3.49Å; V117-K121 PolarHBondContact O-N 2.75Å; V117-K141 HydrophobicContact CG2-CD 4.35Å; V117-K141 HydrophobicContact CG2-CG 4.23Å
118S98.4Very high97.6Very high69 Ų6942.7 Ų42.748%0.48324%0.235SC..Hα-helixtrans-61.4-37.6175.654.40000112.6Q116 Y122Q116-S118 PolarHBondContact O-N 2.79Å; S118-Y122 WeakPolarHBondContact O-CB 3.38Å; S118-Y122 PolarHBondContact O-N 3.34Å
119Q98.4Very high97.6Very high35 Ų3545.1 Ų45.116%0.16425%0.248CC..Hα-helixtrans-75.7-39.8178.6-63.8168.5-30.300111.3K92 Y110 Q116 V117 Y122 A123K92-Q119 HydrophobicContact CB-CG 4.18Å; Y110-Q119 HydrophobicContact CE1-CB 4.36Å; Y110-Q119 PolarHBondContact OH-OE1 2.78Å; Q116-Q119 HydrophobicContact CB-CB 4.46Å; Q116-Q119 HydrophobicContact CB-CG 4.11Å; Q116-Q119 VanDerWaalsContact N-OE1 3.11Å; Q116-Q119 WeakPolarHBondContact O-CA 3.27Å; Q116-Q119 WeakPolarHBondContact O-CB 3.43Å; Q116-Q119 PolarHBondContact O-N 3.39Å; V117-Q119 VanDerWaalsContact C-N 3.31Å; V117-Q119 PolarHBondContact O-N 3.19Å; Q119-Y122 WeakPolarHBondContact O-CB 3.42Å; Q119-Y122 PolarHBondContact O-N 3.14Å; Q119-Y122 VanDerWaalsContact O-N 3.17Å; Q119-A123 PolarHBondContact O-N 2.85Å
120I98.7Very high97.6Very high0 Ų046 Ų460%025%0.252CS..Hα-helixtrans-60.8-46.5173.4-63.7169000110.6K115 Q116 V117 Y122 A123 A124 K141 I142 N145 H146K115-I120 HydrophobicContact CB-CD1 3.9Å; K115-I120 HydrophobicContact CB-CG1 3.82Å; K115-I120 HydrophobicContact CD-CG1 4.33Å; Q116-I120 PolarHBondContact O-N 3.04Å; V117-I120 PolarHBondContact O-N 3.02Å; I120-Y122 VanDerWaalsContact C-N 3.27Å; I120-Y122 PolarHBondContact O-N 2.85Å; I120-A123 PolarHBondContact O-N 3.29Å; I120-A124 PolarHBondContact O-N 3.48Å; I120-K141 HydrophobicContact CD1-CB 3.63Å; I120-K141 HydrophobicContact CD1-CD 4.23Å; I120-I142 HydrophobicContact CD1-CG1 4.28Å; I120-N145 HydrophobicContact CG2-CB 3.88Å; I120-H146 HydrophobicContact CG2-CB 3.78Å
121K98.6Very high97.6Very high117 Ų11746 Ų4651%0.50925%0.252SS..Hα-helixtrans-61.7-35.8175.2-74.2-176.5-179.4-173.50112.4V117 K125 N145V117-K121 HydrophobicContact CG1-CD 4.32Å; V117-K121 HydrophobicContact CG1-CG 4.48Å; V117-K121 WeakPolarHBondContact O-CB 3.36Å; V117-K121 WeakPolarHBondContact O-CG 3.49Å; V117-K121 PolarHBondContact O-N 2.75Å; K121-K125 WeakPolarHBondContact O-CB 3.39Å; K121-K125 PolarHBondContact O-N 2.94Å; K121-N145 WeakPolarHBondContact CE-OD1 3.45Å; K121-N145 HydrophobicContact CG-CB 4Å
122Y98.7Very high97.7Very high46 Ų4644.9 Ų44.918%0.1825%0.247CC..Hα-helixtrans-65.1-49.6174.3178.1-93.5000111.2K92 M95 A96 S118 Q119 I120 A124 K125 V126K92-Y122 HydrophobicContact CB-CD1 4.32Å; K92-Y122 HydrophobicContact CD-CD1 4.4Å; K92-Y122 HydrophobicContact CD-CD2 4.03Å; K92-Y122 HydrophobicContact CD-CE2 4.49Å; K92-Y122 HydrophobicContact CD-CG 3.96Å; K92-Y122 HydrophobicContact CG-CD1 3.69Å; K92-Y122 HydrophobicContact CG-CD2 4.08Å; K92-Y122 HydrophobicContact CG-CE1 3.91Å; K92-Y122 HydrophobicContact CG-CE2 4.28Å; K92-Y122 HydrophobicContact CG-CG 3.77Å; M95-Y122 HydrophobicContact CB-CE1 3.99Å; M95-Y122 HydrophobicContact CE-CD1 4.05Å; A96-Y122 WeakPolarHBondContact CA-OH 3.5Å; A96-Y122 VanDerWaalsContact CB-OH 3.26Å; A96-Y122 WeakPolarHBondContact CB-OH 3.4Å; S118-Y122 WeakPolarHBondContact O-CB 3.38Å; S118-Y122 PolarHBondContact O-N 3.34Å; Q119-Y122 WeakPolarHBondContact O-CB 3.42Å; Q119-Y122 PolarHBondContact O-N 3.14Å; Q119-Y122 VanDerWaalsContact O-N 3.17Å; I120-Y122 VanDerWaalsContact C-N 3.27Å; I120-Y122 PolarHBondContact O-N 2.85Å; Y122-A124 VanDerWaalsContact C-N 3.28Å; Y122-A124 PolarHBondContact O-N 3.47Å; Y122-K125 WeakPolarHBondContact O-CB 2.99Å; Y122-K125 PolarHBondContact O-N 3.35Å; Y122-V126 HydrophobicContact CD1-CG1 4.46Å; Y122-V126 HydrophobicContact CD1-CG2 4.21Å; Y122-V126 HydrophobicContact CD2-CG1 4.28Å; Y122-V126 HydrophobicContact CE1-CG1 4.01Å; Y122-V126 HydrophobicContact CE1-CG2 3.93Å; Y122-V126 HydrophobicContact CE2-CG1 3.8Å; Y122-V126 VanDerWaalsContact O-CG2 3.31Å; Y122-V126 WeakPolarHBondContact O-CG2 3.34Å; Y122-V126 PolarHBondContact O-N 2.91Å
123A98.7Very high97.8Very high0 Ų044.2 Ų44.20%024%0.242CC..Hα-helixtrans-54.4-44.7176.100000111.5M95 Q119 I120 K125 V126 G127 V128M95-A123 HydrophobicContact CE-CB 4.24Å; M95-A123 HydrophobicContact SD-CB 4.07Å; Q119-A123 PolarHBondContact O-N 2.85Å; I120-A123 PolarHBondContact O-N 3.29Å; A123-K125 PolarHBondContact O-N 3.37Å; A123-V126 PolarHBondContact O-N 2.79Å; A123-G127 PolarHBondContact O-N 3Å; A123-V128 HydrophobicContact CB-CB 4.28Å; A123-V128 PolarHBondContact O-N 3.23Å
124A98.6Very high98.1Very high32 Ų3243.2 Ų43.226%0.26424%0.235SC..Hα-helixtrans-60-45.5174.300000113I120 Y122 V126 G127 H146I120-A124 PolarHBondContact O-N 3.48Å; Y122-A124 VanDerWaalsContact C-N 3.28Å; Y122-A124 PolarHBondContact O-N 3.47Å; A124-V126 VanDerWaalsContact C-N 3.29Å; A124-V126 PolarHBondContact O-N 2.9Å; A124-G127 PolarHBondContact O-N 3.04Å; A124-H146 WeakPolarHBondContact CA-NE2 3.48Å; A124-H146 HydrophobicContact CB-CB 3.9Å; A124-H146 VanDerWaalsContact CB-CG 3.49Å; A124-H146 WeakPolarHBondContact CB-ND1 3.39Å
125K98.4Very high98.3Very high179 Ų17941.2 Ų41.278%0.77822%0.217SC*.Hα-helixtrans-61.8-37.2-179.9179.2-177.4175.3-173.60112.3K121 Y122 A123K121-K125 WeakPolarHBondContact O-CB 3.39Å; K121-K125 PolarHBondContact O-N 2.94Å; Y122-K125 WeakPolarHBondContact O-CB 2.99Å; Y122-K125 PolarHBondContact O-N 3.35Å; A123-K125 PolarHBondContact O-N 3.37Å
126V98.2Very high98.4Very high32 Ų3244 Ų4419%0.19423%0.231CC..Hα-helixtrans-96.43.8-176.1-54.70000113.2Q99 P105 Y122 A123 A124 V128Q99-V126 PolarHBondContact OE1-O 2.91Å; P105-V126 WeakPolarHBondContact CG-O 3.36Å; Y122-V126 HydrophobicContact CD1-CG1 4.46Å; Y122-V126 HydrophobicContact CD1-CG2 4.21Å; Y122-V126 HydrophobicContact CD2-CG1 4.28Å; Y122-V126 HydrophobicContact CE1-CG1 4.01Å; Y122-V126 HydrophobicContact CE1-CG2 3.93Å; Y122-V126 HydrophobicContact CE2-CG1 3.8Å; Y122-V126 VanDerWaalsContact O-CG2 3.31Å; Y122-V126 WeakPolarHBondContact O-CG2 3.34Å; Y122-V126 PolarHBondContact O-N 2.91Å; A123-V126 PolarHBondContact O-N 2.79Å; A124-V126 VanDerWaalsContact C-N 3.29Å; A124-V126 PolarHBondContact O-N 2.9Å; V126-V128 HydrophobicContact CG2-CB 4.42Å; V126-V128 HydrophobicContact CG2-CG2 3.95Å; V126-V128 PolarHBondContact O-N 3.24Å
127G98.3Very high98.3Very high27 Ų2744.1 Ų44.128%0.27823%0.234SC..THydrogen-bonded Turntrans79.610.9174.300000115.4P105 A123 A124 N129P105-G127 WeakPolarHBondContact CB-O 3.44Å; A123-G127 PolarHBondContact O-N 3Å; A124-G127 PolarHBondContact O-N 3.04Å; G127-N129 PolarHBondContact O-N 3.4Å; G127-N129 VanDerWaalsContact O-N 3.15Å; G127-N129 PolarHBondContact O-ND2 2.86Å
128V98.6Very high98.3Very high0 Ų041.4 Ų41.40%022%0.217CC..  trans-75.9103.6172.5175.20000108.1M95 P105 I108 A123 V126 H146M95-V128 HydrophobicContact SD-CB 4.27Å; M95-V128 HydrophobicContact SD-CG1 4.04Å; M95-V128 HydrophobicContact SD-CG2 4.34Å; P105-V128 HydrophobicContact CB-CG2 4.13Å; I108-V128 HydrophobicContact CB-CG1 4.31Å; I108-V128 HydrophobicContact CB-CG2 4.06Å; I108-V128 HydrophobicContact CD1-CG2 4.21Å; I108-V128 HydrophobicContact CG2-CG1 3.93Å; I108-V128 HydrophobicContact CG2-CG2 3.95Å; A123-V128 HydrophobicContact CB-CB 4.28Å; A123-V128 PolarHBondContact O-N 3.23Å; V126-V128 HydrophobicContact CG2-CB 4.42Å; V126-V128 HydrophobicContact CG2-CG2 3.95Å; V126-V128 PolarHBondContact O-N 3.24Å; V128-H146 PolarHBondContact O-NE2 3.36Å
129N98.7Very high98.3Very high51 Ų5138.1 Ų38.127%0.27319%0.194SC..  trans-96.9-31.9-172.1-62.8-42.3000112.9G127 H146 A149 K150G127-N129 PolarHBondContact O-N 3.4Å; G127-N129 VanDerWaalsContact O-N 3.15Å; G127-N129 PolarHBondContact O-ND2 2.86Å; N129-H146 PolarHBondContact OD1-CE1 3.27Å; N129-A149 WeakPolarHBondContact O-CA 3.29Å; N129-K150 PolarHBondContact O-N 3.33Å
130I98.8Very high98.3Very high18 Ų1840.3 Ų40.39%0.09220%0.203CC..EExtended strand (participates in β ladder)trans-82.9124.9-174.8-52.4168000109.5I109 Y110 K150 L152 I192 M231I109-I130 HydrophobicContact CB-CG2 4.49Å; I109-I130 HydrophobicContact CD1-CG2 4.27Å; I109-I130 HydrophobicContact CG1-CB 4.14Å; I109-I130 HydrophobicContact CG1-CG2 3.9Å; I109-I130 HydrophobicContact CG2-CG2 4.06Å; Y110-I130 PolarHBondContact N-O 3.09Å; I130-K150 WeakPolarHBondContact CA-O 3.3Å; I130-K150 HydrophobicContact CG1-CB 4.48Å; I130-L152 HydrophobicContact CG2-CD1 4.11Å; I130-L152 HydrophobicContact CG2-CG 4.21Å; I130-I192 HydrophobicContact CG1-CD1 4.5Å; I130-I192 HydrophobicContact CG2-CD1 4.39Å; I130-M231 HydrophobicContact CD1-CE 4.14Å; I130-M231 HydrophobicContact CD1-SD 4.39Å; I130-M231 HydrophobicContact CG2-SD 4.16Å
131M98.6Very high98.3Very high0 Ų043 Ų430%022%0.215CC..EExtended strand (participates in β ladder)trans-151.1157.3178.464.1-165.971.500113Y110 I142 H146 A149 K150 V151 L152Y110-M131 WeakPolarHBondContact O-CA 3.24Å; Y110-M131 WeakPolarHBondContact O-CB 3.44Å; M131-I142 HydrophobicContact CG-CD1 4.21Å; M131-I142 HydrophobicContact SD-CD1 3.86Å; M131-I142 HydrophobicContact SD-CG1 3.86Å; M131-I142 HydrophobicContact SD-CG2 4.11Å; M131-H146 WeakPolarHBondContact CE-CD2 3.38Å; M131-A149 HydrophobicContact CE-CB 3.77Å; M131-A149 HydrophobicContact SD-CB 4.06Å; M131-K150 PolarHBondContact N-O 3.13Å; M131-V151 HydrophobicContact CG-CG2 4.38Å; M131-V151 CarbonylContact O-C 3.34Å; M131-V151 VanDerWaalsContact O-CA 3.3Å; M131-V151 WeakPolarHBondContact O-CA 3.25Å; M131-L152 PolarHBondContact O-N 2.81Å
132T98.4Very high98.3Very high4 Ų437.5 Ų37.53%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-87.6154.4178.560.70000111.9Y110 I111 K115 L152 K195Y110-T132 PolarHBondContact O-N 2.81Å; Y110-T132 VanDerWaalsContact O-N 3.17Å; Y110-T132 PolarHBondContact O-OG1 3.37Å; I111-T132 WeakPolarHBondContact CA-OG1 3.28Å; I111-T132 HydrophobicContact CB-CG2 4.4Å; I111-T132 HydrophobicContact CG2-CG2 4.27Å; I111-T132 PolarHBondContact O-OG1 3.08Å; K115-T132 WeakPolarHBondContact CE-O 3.29Å; K115-T132 PolarHBondContact NZ-O 2.93Å; K115-T132 VanDerWaalsContact NZ-O 3.12Å; K115-T132 PolarHBondContact NZ-OG1 3.42Å; K115-T132 VanDerWaalsContact NZ-OG1 3.1Å; T132-L152 CarbonylContact C-O 3.57Å; T132-L152 WeakPolarHBondContact CA-O 3.5Å; T132-K195 HydrophobicContact CG2-CD 3.34Å
133C98.1Very high98.3Very high3 Ų336.4 Ų36.42%0.0219%0.192CC..EExtended strand (participates in β ladder)trans-154.4136.4171.9-1780000110.4N135 E138 I142 V151 L152 L153 H154C133-N135 PolarHBondContact SG-O 3.08Å; C133-E138 VanDerWaalsContact SG-CB 3.59Å; C133-I142 HydrophobicContact CB-CD1 4.12Å; C133-V151 HydrophobicContact CB-CG1 3.5Å; C133-L152 PolarHBondContact N-O 3.04Å; C133-L153 WeakPolarHBondContact O-CA 3.42Å; C133-H154 PolarHBondContact O-N 3.36Å
134D97.1Very high98.3Very high22 Ų2246 Ų4612%0.11823%0.228CC..  trans-1251.1176.860.37.3000114H154 G171 T172D134-H154 HydrophobicContact CB-CB 4.12Å; D134-G171 PolarHBondContact OD2-N 3.39Å; D134-T172 WeakPolarHBondContact O-CB 3.21Å
135N97.5Very high98.3Very high50 Ų5046 Ų4627%0.26722%0.224SC..SBendtrans-148.3158.5-178.467.881.1000113.8C133 I137 E138 L139C133-N135 PolarHBondContact SG-O 3.08Å; N135-I137 VanDerWaalsContact C-N 3.28Å; N135-I137 PolarHBondContact O-N 2.93Å; N135-I137 WeakPolarHBondContact OD1-CB 3.45Å; N135-I137 PolarHBondContact OD1-N 2.83Å; N135-E138 WeakPolarHBondContact ND2-CG 3.35Å; N135-E138 PolarHBondContact O-N 3.11Å; N135-E138 WeakPolarHBondContact OD1-CG 3.4Å; N135-E138 PolarHBondContact OD1-N 2.6Å; N135-L139 PolarHBondContact O-N 2.94Å; N135-L139 VanDerWaalsContact O-N 3.09Å
136E97.9Very high98.3Very high61 Ų6137.7 Ų37.729%0.28519%0.188SC..Hα-helixtrans-66.7-30.5-174.3-169.4-170.4147.100112.3L139 K140 H179 L180E136-L139 PolarHBondContact O-N 2.88Å; E136-K140 WeakPolarHBondContact O-CG 3.41Å; E136-K140 PolarHBondContact O-N 2.68Å; E136-K140 WeakPolarHBondContact OE1-CE 3.39Å; E136-K140 IonicContact OE1-NZ 2.59Å; E136-K140 PolarHBondContact OE1-NZ 3.21Å; E136-H179 IonicContact OE2-CD2 3.61Å; E136-H179 IonicContact OE2-CE1 3.78Å; E136-H179 IonicContact OE2-NE2 3.06Å; E136-H179 PolarHBondContact OE2-NE2 3.39Å; E136-L180 HydrophobicContact CB-CD2 3.91Å; E136-L180 VanDerWaalsContact N-CD2 3.34Å
137I98.1Very high98.1Very high121 Ų12141 Ų4162%0.62121%0.209SC*.Hα-helixtrans-68.3-47.4179.9-61173.8000109.8N135 L139 K140 K141N135-I137 VanDerWaalsContact C-N 3.28Å; N135-I137 PolarHBondContact O-N 2.93Å; N135-I137 WeakPolarHBondContact OD1-CB 3.45Å; N135-I137 PolarHBondContact OD1-N 2.83Å; I137-L139 VanDerWaalsContact C-N 3.34Å; I137-K140 PolarHBondContact O-N 2.83Å; I137-K141 WeakPolarHBondContact O-CG 3.22Å; I137-K141 PolarHBondContact O-N 3.18Å
138E97.8Very high98.1Very high2 Ų244.9 Ų44.91%0.00922%0.224CC..Hα-helixtrans-55.3-49.2171.5-76.3-84.99900110.8K115 C133 N135 K140 K141 I142K115-E138 VanDerWaalsContact CG-OE2 3.3Å; K115-E138 WeakPolarHBondContact CG-OE2 3.37Å; K115-E138 PolarHBondContact N-OE1 2.69Å; K115-E138 PolarHBondContact N-OE2 3.13Å; C133-E138 VanDerWaalsContact SG-CB 3.59Å; N135-E138 WeakPolarHBondContact ND2-CG 3.35Å; N135-E138 PolarHBondContact O-N 3.11Å; N135-E138 WeakPolarHBondContact OD1-CG 3.4Å; N135-E138 PolarHBondContact OD1-N 2.6Å; E138-K140 VanDerWaalsContact C-N 3.32Å; E138-K140 PolarHBondContact O-N 3.06Å; E138-K141 WeakPolarHBondContact O-CA 3.4Å; E138-K141 WeakPolarHBondContact O-CB 3.46Å; E138-K141 PolarHBondContact O-N 3.41Å; E138-K141 IonicContact OE1-NZ 2.78Å; E138-K141 PolarHBondContact OE1-NZ 2.85Å; E138-I142 WeakPolarHBondContact O-CG1 3.39Å; E138-I142 PolarHBondContact O-N 3.21Å
139L98.1Very high98.1Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-57.3-43.2179.4-17363.3000112.3N135 E136 I137 K141 I142 A143 L180 C183 A184 L187 V189 I191N135-L139 PolarHBondContact O-N 2.94Å; N135-L139 VanDerWaalsContact O-N 3.09Å; E136-L139 PolarHBondContact O-N 2.88Å; I137-L139 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 3.3Å; L139-I142 PolarHBondContact O-N 2.97Å; L139-A143 WeakPolarHBondContact O-CB 3.42Å; L139-A143 PolarHBondContact O-N 3.43Å; L139-L180 WeakPolarHBondContact CD2-O 3.45Å; L139-C183 HydrophobicContact CD2-CB 3.8Å; L139-A184 HydrophobicContact CD1-CB 4.16Å; L139-A184 HydrophobicContact CD2-CB 3.96Å; L139-L187 HydrophobicContact CD2-CD1 4.39Å; L139-L187 HydrophobicContact CG-CD1 4.16Å; L139-V189 HydrophobicContact CD1-CB 4.11Å; L139-V189 HydrophobicContact CD1-CG1 3.84Å; L139-V189 HydrophobicContact CD1-CG2 4.29Å; L139-I191 HydrophobicContact CD1-CD1 4.5Å
140K98.4Very high98.1Very high81 Ų8146.7 Ų46.735%0.35223%0.23SC..Hα-helixtrans-64.4-35.5174.3-75.3174.8-177.4169.50112.8E136 I137 E138 R144 L187E136-K140 WeakPolarHBondContact O-CG 3.41Å; E136-K140 PolarHBondContact O-N 2.68Å; E136-K140 WeakPolarHBondContact OE1-CE 3.39Å; E136-K140 IonicContact OE1-NZ 2.59Å; E136-K140 PolarHBondContact OE1-NZ 3.21Å; I137-K140 PolarHBondContact O-N 2.83Å; E138-K140 VanDerWaalsContact C-N 3.32Å; E138-K140 PolarHBondContact O-N 3.06Å; K140-R144 WeakPolarHBondContact O-CD 3.49Å; K140-R144 VanDerWaalsContact O-CG 3.24Å; K140-R144 WeakPolarHBondContact O-CG 3.37Å; K140-R144 PolarHBondContact O-N 3.43Å; K140-L187 HydrophobicContact CG-CD1 4.02Å
141K98.4Very high98.1Very high58 Ų5845.9 Ų45.925%0.25223%0.225SC..Hα-helixtrans-65.9-44173.7-63.7171.8-163163.70110.4K115 V117 I120 I137 E138 L139 R144 N145K115-K141 PolarHBondContact O-NZ 3.48Å; V117-K141 HydrophobicContact CG2-CD 4.35Å; V117-K141 HydrophobicContact CG2-CG 4.23Å; I120-K141 HydrophobicContact CD1-CB 3.63Å; I120-K141 HydrophobicContact CD1-CD 4.23Å; I137-K141 WeakPolarHBondContact O-CG 3.22Å; I137-K141 PolarHBondContact O-N 3.18Å; E138-K141 WeakPolarHBondContact O-CA 3.4Å; E138-K141 WeakPolarHBondContact O-CB 3.46Å; E138-K141 PolarHBondContact O-N 3.41Å; E138-K141 IonicContact OE1-NZ 2.78Å; E138-K141 PolarHBondContact OE1-NZ 2.85Å; L139-K141 PolarHBondContact O-N 3.3Å; K141-R144 PolarHBondContact O-N 3.21Å; K141-N145 WeakPolarHBondContact O-CB 3.36Å; K141-N145 PolarHBondContact O-N 3.44Å; K141-N145 PolarHBondContact O-ND2 2.95Å
142I98.5Very high98.1Very high0 Ų045.9 Ų45.90%023%0.225CC..Hα-helixtrans-60.9-54.9179.7-66.3167.4000109.7I120 M131 C133 E138 L139 R144 N145 H146 A149 V151 V189I120-I142 HydrophobicContact CD1-CG1 4.28Å; M131-I142 HydrophobicContact CG-CD1 4.21Å; M131-I142 HydrophobicContact SD-CD1 3.86Å; M131-I142 HydrophobicContact SD-CG1 3.86Å; M131-I142 HydrophobicContact SD-CG2 4.11Å; C133-I142 HydrophobicContact CB-CD1 4.12Å; E138-I142 WeakPolarHBondContact O-CG1 3.39Å; E138-I142 PolarHBondContact O-N 3.21Å; L139-I142 PolarHBondContact O-N 2.97Å; I142-R144 PolarHBondContact O-N 2.98Å; I142-R144 VanDerWaalsContact O-N 3.1Å; I142-N145 PolarHBondContact O-N 3.25Å; I142-H146 PolarHBondContact O-N 3.02Å; I142-A149 HydrophobicContact CG2-CB 3.37Å; I142-V151 HydrophobicContact CD1-CG2 4.21Å; I142-V151 HydrophobicContact CG2-CG2 4.2Å; I142-V189 HydrophobicContact CG2-CG1 4.31Å
143A98.4Very high98.1Very high24 Ų2445.7 Ų45.720%0.19822%0.224CC..Hα-helixtrans-50-41.9179.300000113.1L139 L187 V189L139-A143 WeakPolarHBondContact O-CB 3.42Å; L139-A143 PolarHBondContact O-N 3.43Å; A143-L187 HydrophobicContact CB-CB 3.9Å; A143-L187 HydrophobicContact CB-CD1 4.21Å; A143-L187 HydrophobicContact CB-CD2 4.35Å; A143-L187 HydrophobicContact CB-CG 4.39Å; A143-V189 HydrophobicContact CB-CG2 3.5Å; A143-V189 VanDerWaalsContact CB-CG2 3.5Å
144R98.4Very high98.1Very high200 Ų20046.5 Ų46.576%0.75523%0.228SC*.Hα-helixtrans-77.1-26.1-177.4-70.2172.3-176.9176.31114.4K140 K141 I142K140-R144 WeakPolarHBondContact O-CD 3.49Å; K140-R144 VanDerWaalsContact O-CG 3.24Å; K140-R144 WeakPolarHBondContact O-CG 3.37Å; K140-R144 PolarHBondContact O-N 3.43Å; K141-R144 PolarHBondContact O-N 3.21Å; I142-R144 PolarHBondContact O-N 2.98Å; I142-R144 VanDerWaalsContact O-N 3.1Å
145N98.7Very high98.2Very high34 Ų3445.5 Ų45.518%0.18222%0.223CC..Hα-helixtrans-124.8-11.8-164.3-62.6-80.2000114.5I120 K121 K141 I142I120-N145 HydrophobicContact CG2-CB 3.88Å; K121-N145 WeakPolarHBondContact CE-OD1 3.45Å; K121-N145 HydrophobicContact CG-CB 4Å; K141-N145 WeakPolarHBondContact O-CB 3.36Å; K141-N145 PolarHBondContact O-N 3.44Å; K141-N145 PolarHBondContact O-ND2 2.95Å; I142-N145 PolarHBondContact O-N 3.25Å
146H98.5Very high98Very high4 Ų445 Ų452%0.01923%0.225CC..  trans-145.683.4177.6-167.8-2000111.3I120 A124 V128 N129 M131 I142 N148 A149I120-H146 HydrophobicContact CG2-CB 3.78Å; A124-H146 WeakPolarHBondContact CA-NE2 3.48Å; A124-H146 HydrophobicContact CB-CB 3.9Å; A124-H146 VanDerWaalsContact CB-CG 3.49Å; A124-H146 WeakPolarHBondContact CB-ND1 3.39Å; V128-H146 PolarHBondContact O-NE2 3.36Å; N129-H146 PolarHBondContact OD1-CE1 3.27Å; M131-H146 WeakPolarHBondContact CE-CD2 3.38Å; I142-H146 PolarHBondContact O-N 3.02Å; H146-N148 PolarHBondContact O-N 2.82Å; H146-A149 HydrophobicContact CB-CB 4.13Å; H146-A149 VanDerWaalsContact O-CB 3.26Å; H146-A149 WeakPolarHBondContact O-CB 3.46Å; H146-A149 PolarHBondContact O-N 2.84Å; H146-A149 VanDerWaalsContact O-N 3.14Å
147P95.8Very high97.6Very high100 Ų10043.1 Ų43.165%0.64922%0.218SC*.THydrogen-bonded Turntrans-63.4-20.8-176.1-23.834.7000114.8
148N97.9Very high96.7Very high110 Ų11043.9 Ų43.959%0.58822%0.219SC*.THydrogen-bonded Turntrans-98.38.4-179.1-61.8-31.6000112.5H146 K150H146-N148 PolarHBondContact O-N 2.82Å; N148-K150 PolarHBondContact O-N 3.16Å
149A98.5Very high95.2Very high2 Ų244.5 Ų44.52%0.01722%0.222CC..  trans-61136.9179.900000111.2N129 M131 I142 H146 V151N129-A149 WeakPolarHBondContact O-CA 3.29Å; M131-A149 HydrophobicContact CE-CB 3.77Å; M131-A149 HydrophobicContact SD-CB 4.06Å; I142-A149 HydrophobicContact CG2-CB 3.37Å; H146-A149 HydrophobicContact CB-CB 4.13Å; H146-A149 VanDerWaalsContact O-CB 3.26Å; H146-A149 WeakPolarHBondContact O-CB 3.46Å; H146-A149 PolarHBondContact O-N 2.84Å; H146-A149 VanDerWaalsContact O-N 3.14Å; A149-V151 HydrophobicContact CB-CG2 4.49Å
150K98.8Very high93.4Very high87 Ų8750.6 Ų50.638%0.37826%0.255SS..EExtended strand (participates in β ladder)trans-113.4110.9171.9-65.5-178.1179.2-179.70107.6N129 I130 M131 N148 I192N129-K150 PolarHBondContact O-N 3.33Å; I130-K150 WeakPolarHBondContact CA-O 3.3Å; I130-K150 HydrophobicContact CG1-CB 4.48Å; M131-K150 PolarHBondContact N-O 3.13Å; N148-K150 PolarHBondContact O-N 3.16Å; K150-I192 HydrophobicContact CB-CD1 3.68Å; K150-I192 HydrophobicContact CB-CG1 3.91Å; K150-I192 HydrophobicContact CB-CG2 3.88Å; K150-I192 HydrophobicContact CD-CD1 4.32Å; K150-I192 HydrophobicContact CD-CG2 4.31Å; K150-I192 HydrophobicContact CG-CG2 4.09Å
151V98.8Very high91.5Very high0 Ų049 Ų490%025%0.25CC..EExtended strand (participates in β ladder)trans-98.3133.7-167.81770000111.1M131 C133 I142 A149 L153 V189 Q190 I191 I192M131-V151 HydrophobicContact CG-CG2 4.38Å; M131-V151 CarbonylContact O-C 3.34Å; M131-V151 VanDerWaalsContact O-CA 3.3Å; M131-V151 WeakPolarHBondContact O-CA 3.25Å; C133-V151 HydrophobicContact CB-CG1 3.5Å; I142-V151 HydrophobicContact CD1-CG2 4.21Å; I142-V151 HydrophobicContact CG2-CG2 4.2Å; A149-V151 HydrophobicContact CB-CG2 4.49Å; V151-L153 HydrophobicContact CG1-CD2 4.41Å; V151-V189 HydrophobicContact CG2-CG1 3.66Å; V151-Q190 PolarHBondContact N-O 3.23Å; V151-I191 HydrophobicContact CB-CD1 3.67Å; V151-I191 HydrophobicContact CG1-CD1 3.83Å; V151-I191 HydrophobicContact CG2-CD1 4.47Å; V151-I192 PolarHBondContact O-N 3.44Å
152L98.8Very high88.9Confident0 Ų050.6 Ų50.60%028%0.282CS..EExtended strand (participates in β ladder)trans-96.6120.3163.2-57178.7000108.4I130 M131 T132 C133 H154 I192 G193 K195 M231 D233 I269I130-L152 HydrophobicContact CG2-CD1 4.11Å; I130-L152 HydrophobicContact CG2-CG 4.21Å; M131-L152 PolarHBondContact O-N 2.81Å; T132-L152 CarbonylContact C-O 3.57Å; T132-L152 WeakPolarHBondContact CA-O 3.5Å; C133-L152 PolarHBondContact N-O 3.04Å; L152-H154 PolarHBondContact O-N 3.39Å; L152-I192 HydrophobicContact CD2-CD1 4.14Å; L152-I192 HydrophobicContact CD2-CG1 3.86Å; L152-G193 WeakPolarHBondContact CA-O 3.17Å; L152-K195 HydrophobicContact CB-CB 4.3Å; L152-M231 HydrophobicContact CD1-CG 4.48Å; L152-M231 HydrophobicContact CD1-SD 4.13Å; L152-M231 HydrophobicContact CD2-CB 3.92Å; L152-M231 HydrophobicContact CD2-CG 3.88Å; L152-M231 HydrophobicContact CD2-SD 4.02Å; L152-D233 HydrophobicContact CD1-CB 4.22Å; L152-I269 HydrophobicContact CD1-CD1 4.48Å
153L98.4Very high86.4Confident0 Ų052.8 Ų52.80%031%0.305CS..EExtended strand (participates in β ladder)trans-74.8120.2174.6-71-179000109.6C133 V151 L180 L181 I191 G193 V194 K195 V218C133-L153 WeakPolarHBondContact O-CA 3.42Å; V151-L153 HydrophobicContact CG1-CD2 4.41Å; L153-L180 HydrophobicContact CD2-CB 4.22Å; L153-L180 HydrophobicContact CD2-CD1 4.26Å; L153-L181 HydrophobicContact CD1-CD2 3.51Å; L153-L181 HydrophobicContact CD1-CG 3.74Å; L153-I191 HydrophobicContact CD1-CG2 4.06Å; L153-I191 HydrophobicContact CD2-CD1 4.26Å; L153-I191 HydrophobicContact CG-CD1 4.44Å; L153-I191 HydrophobicContact CG-CG2 3.89Å; L153-G193 PolarHBondContact N-O 3.38Å; L153-V194 CarbonylContact O-C 3.29Å; L153-V194 WeakPolarHBondContact O-CA 3.15Å; L153-K195 PolarHBondContact O-N 2.99Å; L153-V218 HydrophobicContact CD1-CG1 4.2Å
154H98.3Very high83.4Confident20 Ų2061.5 Ų61.59%0.09334%0.341CS..EExtended strand (participates in β ladder)trans-88.3110.1-179.5179.7-160.6000110C133 D134 L152 G171 T172 K195C133-H154 PolarHBondContact O-N 3.36Å; D134-H154 HydrophobicContact CB-CB 4.12Å; L152-H154 PolarHBondContact O-N 3.39Å; H154-G171 CarbonylContact O-C 3.55Å; H154-G171 WeakPolarHBondContact O-CA 3.38Å; H154-T172 WeakPolarHBondContact O-CG2 3.44Å; H154-T172 PolarHBondContact O-N 2.95Å; H154-K195 CarbonylContact C-O 3.53Å; H154-K195 VanDerWaalsContact CA-O 3.29Å; H154-K195 WeakPolarHBondContact CA-O 3.28Å; H154-K195 HydrophobicContact CB-CB 4.35Å; H154-K195 PolarHBondContact CD2-O 3.07Å
155I97.3Very high80.6Confident2 Ų261 Ų611%0.0135%0.348CS..BIsolated β-bridgetrans-89.6147.7178.363.5173000110.8T172 V194 K195 F196 D214 A215 V218I155-T172 WeakPolarHBondContact CA-O 3.4Å; I155-V194 HydrophobicContact CD1-CG1 3.92Å; I155-V194 HydrophobicContact CG1-CG1 3.95Å; I155-V194 HydrophobicContact CG2-CG1 3.95Å; I155-K195 WeakPolarHBondContact CG1-O 3.36Å; I155-K195 PolarHBondContact N-O 3.29Å; I155-F196 HydrophobicContact CD1-CB 4.26Å; I155-F196 HydrophobicContact CD1-CD1 4.47Å; I155-F196 HydrophobicContact CG1-CB 3.74Å; I155-D214 HydrophobicContact CD1-CB 3.75Å; I155-A215 HydrophobicContact CD1-CB 4.25Å; I155-V218 HydrophobicContact CG2-CG2 4.15Å
156A94.1Very high77.8Confident38 Ų3863 Ų6331%0.31438%0.376SS..  trans-74.7151.3175.600000111.3T172A156-T172 PolarHBondContact N-O 3.39Å
157T89.1Confident75.5Confident23 Ų2367.2 Ų67.214%0.14140%0.399CS..  trans-117.5151.6175.8510000111.2D159 F196 H197 V198 A211T157-D159 VanDerWaalsContact C-N 3.29Å; T157-D159 PolarHBondContact O-N 2.99Å; T157-D159 PolarHBondContact OG1-OD1 3.38Å; T157-F196 HydrophobicContact CG2-CB 3.91Å; T157-F196 HydrophobicContact CG2-CD2 4.38Å; T157-H197 PolarHBondContact OG1-O 3.05Å; T157-V198 HydrophobicContact CG2-CG2 4.1Å; T157-A211 HydrophobicContact CG2-CB 4.07Å
158E79.3Confident73.8Confident137 Ų13769.5 Ų69.564%0.6440%0.403SS*.  trans-92.948.3177.4-62-175.1160.500111.6N160 V207 H210E158-N160 PolarHBondContact O-N 3.39Å; E158-V207 WeakPolarHBondContact O-CG2 3.3Å; E158-H210 IonicContact OE2-ND1 2.69Å
159D67.8Low72.6Confident15 Ų1570.3 Ų70.38%0.0840%0.401CS..  trans-74.9106.7174.155.4-21.6000110.4T157 I161 K169 C202 V207T157-D159 VanDerWaalsContact C-N 3.29Å; T157-D159 PolarHBondContact O-N 2.99Å; T157-D159 PolarHBondContact OG1-OD1 3.38Å; D159-I161 HydrophobicContact CB-CG1 4.26Å; D159-I161 PolarHBondContact O-N 3.36Å; D159-K169 PolarHBondContact O-NZ 3.31Å; D159-K169 IonicContact OD1-NZ 2.7Å; D159-C202 HydrophobicContact CB-CB 4.32Å; D159-V207 HydrophobicContact CB-CG1 4.24Å
160N59.9Low72Confident127 Ų12774.1 Ų74.168%0.67942%0.417SS*.  trans-79.374.3168.9-71.6-36000109.1E158 G162E158-N160 PolarHBondContact O-N 3.39Å; N160-G162 PolarHBondContact O-N 2.93Å
161I58.6Low71.6Confident48 Ų4871.1 Ų71.125%0.24641%0.411CS..  trans-73.5112.9166.2-48.6170.6000105.3D159 G163 A201D159-I161 HydrophobicContact CB-CG1 4.26Å; D159-I161 PolarHBondContact O-N 3.36Å; I161-G163 PolarHBondContact O-N 3.17Å; I161-A201 HydrophobicContact CG2-CB 4.16Å
162G43.3Very low71.4Confident91 Ų9171.4 Ų71.494%0.93841%0.413SS*.SBendtrans-6668.5-169.700000115.5N160N160-G162 PolarHBondContact O-N 2.93Å
163G45.2Very low71.2Confident46 Ų4675.7 Ų75.747%0.47444%0.439SS..  trans-148.1111.716700000108.6I161 E165I161-G163 PolarHBondContact O-N 3.17Å; G163-E165 PolarHBondContact O-N 3.16Å; G163-E165 VanDerWaalsContact O-N 3.13Å
164E36.4Very low71Confident207 Ų20778.3 Ų78.397%0.96745%0.453SS*.SBendtrans-69.7-0.5-178.2-72.1-175.4146.100113.5
165E38.9Very low70.7Confident190 Ų19086.3 Ų86.389%0.88849%0.487SS*.SBendtrans-139.6114.6179.2-66.4-178.1158.800110.3G163G163-E165 PolarHBondContact O-N 3.16Å; G163-E165 VanDerWaalsContact O-N 3.13Å
166G40.5Very low70.6Confident76 Ų7688.9 Ų88.978%0.78450%0.502SS*.  trans133.7-25.6156.300000118.7M168G166-M168 PolarHBondContact O-N 3.14Å
167N49.6Very low70.8Confident92 Ų9287.1 Ų87.149%0.49249%0.487SS..  trans-83.1111.7-176.4-76-30.6000112.1K169N167-K169 PolarHBondContact O-N 3.04Å
168M61.3Low71.2Confident149 Ų14991 Ų9173%0.73450%0.502SS*.  trans-69.5103.5175.5-168.8137.273.900109.8G166 F170G166-M168 PolarHBondContact O-N 3.14Å; M168-F170 HydrophobicContact CB-CE2 4.36Å; M168-F170 HydrophobicContact CB-CZ 4.21Å; M168-F170 HydrophobicContact CE-CE1 4.25Å; M168-F170 HydrophobicContact CE-CZ 3.88Å; M168-F170 HydrophobicContact CG-CE1 3.95Å; M168-F170 HydrophobicContact CG-CE2 4.27Å; M168-F170 HydrophobicContact CG-CZ 3.73Å; M168-F170 WeakPolarHBondContact O-CD2 3.49Å; M168-F170 WeakPolarHBondContact O-CE2 3.24Å
169K70.9Confident72Confident126 Ų12687.9 Ų87.955%0.54849%0.487SS..  trans-78132.7176.7-63-167.1172.7-154.20110.3D159 N167D159-K169 PolarHBondContact O-NZ 3.31Å; D159-K169 IonicContact OD1-NZ 2.7Å; N167-K169 PolarHBondContact O-N 3.04Å
170F85.8Confident73.5Confident82 Ų8287.2 Ų87.236%0.3648%0.483SS..  trans-112.6168.3176.6-61.4-73.3000110.4P113 M168P113-F170 HydrophobicContact CB-CD1 3.51Å; P113-F170 HydrophobicContact CB-CE1 3.59Å; P113-F170 HydrophobicContact CB-CG 4.17Å; P113-F170 HydrophobicContact CB-CZ 4.31Å; P113-F170 HydrophobicContact CG-CD1 3.97Å; P113-F170 HydrophobicContact CG-CE1 3.55Å; P113-F170 HydrophobicContact CG-CE2 4.45Å; P113-F170 HydrophobicContact CG-CZ 3.82Å; M168-F170 HydrophobicContact CB-CE2 4.36Å; M168-F170 HydrophobicContact CB-CZ 4.21Å; M168-F170 HydrophobicContact CE-CE1 4.25Å; M168-F170 HydrophobicContact CE-CZ 3.88Å; M168-F170 HydrophobicContact CG-CE1 3.95Å; M168-F170 HydrophobicContact CG-CE2 4.27Å; M168-F170 HydrophobicContact CG-CZ 3.73Å; M168-F170 WeakPolarHBondContact O-CD2 3.49Å; M168-F170 WeakPolarHBondContact O-CE2 3.24Å
171G90.7Very high75.4Confident24 Ų2481.1 Ų81.125%0.24745%0.451CS..  trans102.2162.217700000113.9D134 H154D134-G171 PolarHBondContact OD2-N 3.39Å; H154-G171 CarbonylContact O-C 3.55Å; H154-G171 WeakPolarHBondContact O-CA 3.38Å
172T94.8Very high77.2Confident6 Ų682.8 Ų82.84%0.03746%0.458CS..BIsolated β-bridgetrans-103148.9-179.1176.70000111.9D134 H154 I155 A156 N176 C177 L180D134-T172 WeakPolarHBondContact O-CB 3.21Å; H154-T172 WeakPolarHBondContact O-CG2 3.44Å; H154-T172 PolarHBondContact O-N 2.95Å; I155-T172 WeakPolarHBondContact CA-O 3.4Å; A156-T172 PolarHBondContact N-O 3.39Å; T172-N176 VanDerWaalsContact OG1-CB 3.3Å; T172-N176 WeakPolarHBondContact OG1-CB 3.25Å; T172-N176 PolarHBondContact OG1-ND2 2.84Å; T172-C177 WeakPolarHBondContact CG2-SG 3.45Å; T172-L180 HydrophobicContact CG2-CD1 3.87Å
173T95.4Very high79.9Confident90 Ų9079.1 Ų79.155%0.55242%0.417SS*.  trans-66.7153.717064.30000111.1K175 N176 C177T173-K175 VanDerWaalsContact C-N 3.26Å; T173-K175 PolarHBondContact O-N 3.2Å; T173-N176 PolarHBondContact O-N 3.04Å; T173-N176 WeakPolarHBondContact OG1-CB 2.99Å; T173-N176 PolarHBondContact OG1-N 2.99Å; T173-C177 PolarHBondContact O-N 2.95Å; T173-C177 PolarHBondContact O-SG 3.04Å
174L93.2Very high82.4Confident55 Ų5576.9 Ų76.929%0.28840%0.395SS..Hα-helixtrans-52.8-42.3173.9-80.8-176.7000113.2N176 C177 D214 V218L174-N176 VanDerWaalsContact C-N 3.3Å; L174-N176 PolarHBondContact O-N 3.07Å; L174-C177 WeakPolarHBondContact O-CB 3.49Å; L174-C177 PolarHBondContact O-N 2.69Å; L174-C177 VanDerWaalsContact O-N 3.17Å; L174-D214 HydrophobicContact CD1-CB 4.21Å; L174-D214 WeakPolarHBondContact CD1-OD1 3.14Å; L174-D214 HydrophobicContact CD2-CB 3.82Å; L174-D214 HydrophobicContact CG-CB 4.17Å; L174-V218 HydrophobicContact CD2-CG2 3.68Å
175K92.4Very high85.3Confident188 Ų18872 Ų7282%0.81737%0.37SS*.Hα-helixtrans-59.1-43.1178.1-176.7-178.2176.8-175.40111.5T173T173-K175 VanDerWaalsContact C-N 3.26Å; T173-K175 PolarHBondContact O-N 3.2Å
176N96.1Very high88.1Confident57 Ų5771 Ų7131%0.30537%0.366SS..Hα-helixtrans-77.9-23.1179.7-173.665.8000112.4T172 T173 L174 K178 H179 L180T172-N176 VanDerWaalsContact OG1-CB 3.3Å; T172-N176 WeakPolarHBondContact OG1-CB 3.25Å; T172-N176 PolarHBondContact OG1-ND2 2.84Å; T173-N176 PolarHBondContact O-N 3.04Å; T173-N176 WeakPolarHBondContact OG1-CB 2.99Å; T173-N176 PolarHBondContact OG1-N 2.99Å; L174-N176 VanDerWaalsContact C-N 3.3Å; L174-N176 PolarHBondContact O-N 3.07Å; N176-K178 VanDerWaalsContact C-N 3.29Å; N176-K178 PolarHBondContact O-N 3.07Å; N176-H179 WeakPolarHBondContact O-CB 3.41Å; N176-H179 PolarHBondContact O-N 3.25Å; N176-L180 WeakPolarHBondContact O-CG 3.22Å; N176-L180 PolarHBondContact O-N 3.28Å
177C97.5Very high90.9Very high0 Ų070.7 Ų70.70%035%0.345CS..Hα-helixtrans-56.5-43172-66.20000112.1T172 T173 L174 H179 L180 L181 V218 M221T172-C177 WeakPolarHBondContact CG2-SG 3.45Å; T173-C177 PolarHBondContact O-N 2.95Å; T173-C177 PolarHBondContact O-SG 3.04Å; L174-C177 WeakPolarHBondContact O-CB 3.49Å; L174-C177 PolarHBondContact O-N 2.69Å; L174-C177 VanDerWaalsContact O-N 3.17Å; C177-H179 VanDerWaalsContact C-N 3.34Å; C177-H179 PolarHBondContact O-N 3.18Å; C177-L180 PolarHBondContact O-N 3.49Å; C177-L181 VanDerWaalsContact O-CG 3.31Å; C177-L181 WeakPolarHBondContact O-CG 3.47Å; C177-L181 PolarHBondContact O-N 3.33Å; C177-V218 HydrophobicContact CB-CG2 3.9Å; C177-M221 HydrophobicContact CB-CE 4.44Å
178K96.6Very high93.2Very high105 Ų10573.2 Ų73.246%0.45736%0.359SS..Hα-helixtrans-58-46.8176.4-175.9171.8179.4170.20111.9N176 L180 L181 E182 M221N176-K178 VanDerWaalsContact C-N 3.29Å; N176-K178 PolarHBondContact O-N 3.07Å; K178-L180 VanDerWaalsContact C-N 3.34Å; K178-L180 PolarHBondContact O-N 3.16Å; K178-L181 PolarHBondContact O-N 2.8Å; K178-E182 WeakPolarHBondContact CE-OE1 3.38Å; K178-E182 WeakPolarHBondContact O-CG 3.42Å; K178-E182 PolarHBondContact O-N 2.76Å; K178-M221 HydrophobicContact CB-SD 4.02Å; K178-M221 HydrophobicContact CG-SD 4.45Å
179H98Very high94.9Very high71 Ų7166.5 Ų66.533%0.32933%0.326SS..Hα-helixtrans-60.3-42.4175.8175.768.8000112.1E136 N176 C177 E182 C183E136-H179 IonicContact OE2-CD2 3.61Å; E136-H179 IonicContact OE2-CE1 3.78Å; E136-H179 IonicContact OE2-NE2 3.06Å; E136-H179 PolarHBondContact OE2-NE2 3.39Å; N176-H179 WeakPolarHBondContact O-CB 3.41Å; N176-H179 PolarHBondContact O-N 3.25Å; C177-H179 VanDerWaalsContact C-N 3.34Å; C177-H179 PolarHBondContact O-N 3.18Å; H179-E182 PolarHBondContact O-N 3.06Å; H179-C183 PolarHBondContact CE1-SG 2.94Å; H179-C183 PolarHBondContact NE2-SG 2.81Å; H179-C183 WeakPolarHBondContact O-CB 3.39Å; H179-C183 PolarHBondContact O-N 3.27Å; H179-C183 PolarHBondContact O-SG 3.5Å
180L98.5Very high96.2Very high1 Ų165.2 Ų65.21%0.00532%0.322CS..Hα-helixtrans-65.5-38177-66-179.8000112.8E136 L139 L153 T172 N176 C177 K178 C183 A184E136-L180 HydrophobicContact CB-CD2 3.91Å; E136-L180 VanDerWaalsContact N-CD2 3.34Å; L139-L180 WeakPolarHBondContact CD2-O 3.45Å; L153-L180 HydrophobicContact CD2-CB 4.22Å; L153-L180 HydrophobicContact CD2-CD1 4.26Å; T172-L180 HydrophobicContact CG2-CD1 3.87Å; N176-L180 WeakPolarHBondContact O-CG 3.22Å; N176-L180 PolarHBondContact O-N 3.28Å; C177-L180 PolarHBondContact O-N 3.49Å; K178-L180 VanDerWaalsContact C-N 3.34Å; K178-L180 PolarHBondContact O-N 3.16Å; L180-C183 PolarHBondContact O-N 2.81Å; L180-A184 VanDerWaalsContact O-CB 3.27Å; L180-A184 WeakPolarHBondContact O-CB 3.2Å; L180-A184 PolarHBondContact O-N 3.12Å
181L98.6Very high96.9Very high0 Ų061.4 Ų61.40%031%0.306CS..Hα-helixtrans-64.3-44.6175.3-70.2167.4000111.5L153 C177 K178 A184 K185 I191 V218 M221 A222 I225 F227L153-L181 HydrophobicContact CD1-CD2 3.51Å; L153-L181 HydrophobicContact CD1-CG 3.74Å; C177-L181 VanDerWaalsContact O-CG 3.31Å; C177-L181 WeakPolarHBondContact O-CG 3.47Å; C177-L181 PolarHBondContact O-N 3.33Å; K178-L181 PolarHBondContact O-N 2.8Å; L181-A184 PolarHBondContact O-N 3.17Å; L181-K185 PolarHBondContact O-N 2.93Å; L181-I191 HydrophobicContact CD2-CB 4.27Å; L181-I191 HydrophobicContact CD2-CG1 4.14Å; L181-I191 HydrophobicContact CD2-CG2 3.99Å; L181-V218 HydrophobicContact CD1-CG1 4.39Å; L181-M221 HydrophobicContact CD1-CB 3.79Å; L181-A222 HydrophobicContact CD1-CB 4.11Å; L181-A222 HydrophobicContact CD2-CB 3.66Å; L181-I225 HydrophobicContact CB-CD1 3.51Å; L181-I225 HydrophobicContact CD1-CD1 4.32Å; L181-F227 HydrophobicContact CD2-CD2 4.19Å; L181-F227 HydrophobicContact CD2-CE2 4.26Å; L181-F227 WeakPolarHBondContact O-CE2 3.35Å
182E98.1Very high97.2Very high83 Ų8360.8 Ų60.839%0.38830%0.296SS..Hα-helixtrans-61.2-48.5175.2-70.4168.9178.200110.8K178 H179 A184 K185 E186 I225K178-E182 WeakPolarHBondContact CE-OE1 3.38Å; K178-E182 WeakPolarHBondContact O-CG 3.42Å; K178-E182 PolarHBondContact O-N 2.76Å; H179-E182 PolarHBondContact O-N 3.06Å; E182-A184 VanDerWaalsContact C-N 3.32Å; E182-A184 PolarHBondContact O-N 3.36Å; E182-K185 WeakPolarHBondContact O-CB 3.35Å; E182-K185 PolarHBondContact O-N 3.38Å; E182-K185 VanDerWaalsContact O-N 3.16Å; E182-E186 WeakPolarHBondContact O-CG 3.12Å; E182-E186 PolarHBondContact O-N 2.94Å; E182-I225 HydrophobicContact CG-CD1 4.23Å
183C98.3Very high97.4Very high13 Ų1360.5 Ų60.59%0.08830%0.295CS..Hα-helixtrans-58.8-41.9174.9-70.70000112.4L139 H179 L180 K185 E186 L187L139-C183 HydrophobicContact CD2-CB 3.8Å; H179-C183 PolarHBondContact CE1-SG 2.94Å; H179-C183 PolarHBondContact NE2-SG 2.81Å; H179-C183 WeakPolarHBondContact O-CB 3.39Å; H179-C183 PolarHBondContact O-N 3.27Å; H179-C183 PolarHBondContact O-SG 3.5Å; L180-C183 PolarHBondContact O-N 2.81Å; C183-K185 VanDerWaalsContact C-N 3.27Å; C183-K185 PolarHBondContact O-N 3.15Å; C183-E186 PolarHBondContact O-N 2.98Å; C183-L187 VanDerWaalsContact O-CB 3.3Å; C183-L187 WeakPolarHBondContact O-CB 2.91Å; C183-L187 WeakPolarHBondContact O-CG 3.42Å; C183-L187 PolarHBondContact O-N 3.34Å
184A98.4Very high97.6Very high0 Ų056.2 Ų56.20%027%0.268CS..Hα-helixtrans-63.9-38179.400000111L139 L180 L181 E182 L187 D188 V189 I191 F227L139-A184 HydrophobicContact CD1-CB 4.16Å; L139-A184 HydrophobicContact CD2-CB 3.96Å; L180-A184 VanDerWaalsContact O-CB 3.27Å; L180-A184 WeakPolarHBondContact O-CB 3.2Å; L180-A184 PolarHBondContact O-N 3.12Å; L181-A184 PolarHBondContact O-N 3.17Å; E182-A184 VanDerWaalsContact C-N 3.32Å; E182-A184 PolarHBondContact O-N 3.36Å; A184-L187 PolarHBondContact O-N 2.8Å; A184-D188 PolarHBondContact O-N 2.91Å; A184-D188 VanDerWaalsContact O-N 3.08Å; A184-V189 HydrophobicContact CB-CB 4.36Å; A184-V189 PolarHBondContact O-N 3.04Å; A184-I191 HydrophobicContact CB-CD1 3.6Å; A184-I191 HydrophobicContact CB-CG1 3.57Å; A184-F227 HydrophobicContact CB-CZ 3.99Å
185K98.1Very high97.8Very high105 Ų10554 Ų5446%0.45726%0.257SS..Hα-helixtrans-65-43.7176.3-171.566.2171.1-159.50111.6L181 E182 C183 L187 D188 I225 F227L181-K185 PolarHBondContact O-N 2.93Å; E182-K185 WeakPolarHBondContact O-CB 3.35Å; E182-K185 PolarHBondContact O-N 3.38Å; E182-K185 VanDerWaalsContact O-N 3.16Å; C183-K185 VanDerWaalsContact C-N 3.27Å; C183-K185 PolarHBondContact O-N 3.15Å; K185-L187 VanDerWaalsContact C-N 3.3Å; K185-L187 PolarHBondContact O-N 3.05Å; K185-D188 PolarHBondContact O-N 3.43Å; K185-I225 HydrophobicContact CB-CG2 3.84Å; K185-I225 HydrophobicContact CD-CG2 3.94Å; K185-I225 WeakPolarHBondContact CE-O 3.39Å; K185-I225 HydrophobicContact CG-CG2 3.83Å; K185-I225 PolarHBondContact NZ-O 2.85Å; K185-I225 VanDerWaalsContact NZ-O 3.1Å; K185-F227 HydrophobicContact CB-CE2 4.27Å; K185-F227 HydrophobicContact CB-CZ 4.01Å; K185-F227 HydrophobicContact CD-CZ 4.18Å
186E98.1Very high98Very high169 Ų16945.1 Ų45.179%0.7922%0.218SC*.Hα-helixtrans-65.4-34.1176.4-69.9-179.1179.300112.8E182 C183 D188E182-E186 WeakPolarHBondContact O-CG 3.12Å; E182-E186 PolarHBondContact O-N 2.94Å; C183-E186 PolarHBondContact O-N 2.98Å; E186-D188 VanDerWaalsContact C-N 3.34Å
187L98Very high98Very high68 Ų6845.9 Ų45.936%0.35622%0.219SC..THydrogen-bonded Turntrans-87.70.6-179-67.3171.8000113.9L139 K140 A143 C183 A184 K185 V189L139-L187 HydrophobicContact CD2-CD1 4.39Å; L139-L187 HydrophobicContact CG-CD1 4.16Å; K140-L187 HydrophobicContact CG-CD1 4.02Å; A143-L187 HydrophobicContact CB-CB 3.9Å; A143-L187 HydrophobicContact CB-CD1 4.21Å; A143-L187 HydrophobicContact CB-CD2 4.35Å; A143-L187 HydrophobicContact CB-CG 4.39Å; C183-L187 VanDerWaalsContact O-CB 3.3Å; C183-L187 WeakPolarHBondContact O-CB 2.91Å; C183-L187 WeakPolarHBondContact O-CG 3.42Å; C183-L187 PolarHBondContact O-N 3.34Å; A184-L187 PolarHBondContact O-N 2.8Å; K185-L187 VanDerWaalsContact C-N 3.3Å; K185-L187 PolarHBondContact O-N 3.05Å; L187-V189 HydrophobicContact CB-CG2 4.03Å; L187-V189 PolarHBondContact O-N 3.49Å
188D97.8Very high97.7Very high145 Ų14545.9 Ų45.978%0.77522%0.219SC*.THydrogen-bonded Turntrans54.837.5-174.7-16134.1000113.4A184 K185 E186A184-D188 PolarHBondContact O-N 2.91Å; A184-D188 VanDerWaalsContact O-N 3.08Å; K185-D188 PolarHBondContact O-N 3.43Å; E186-D188 VanDerWaalsContact C-N 3.34Å
189V98.4Very high97.2Very high9 Ų942 Ų426%0.05521%0.205CC..  trans-96.7129.2175.6178.90000109.6L139 I142 A143 V151 A184 L187 I191 F227L139-V189 HydrophobicContact CD1-CB 4.11Å; L139-V189 HydrophobicContact CD1-CG1 3.84Å; L139-V189 HydrophobicContact CD1-CG2 4.29Å; I142-V189 HydrophobicContact CG2-CG1 4.31Å; A143-V189 HydrophobicContact CB-CG2 3.5Å; A143-V189 VanDerWaalsContact CB-CG2 3.5Å; V151-V189 HydrophobicContact CG2-CG1 3.66Å; A184-V189 HydrophobicContact CB-CB 4.36Å; A184-V189 PolarHBondContact O-N 3.04Å; L187-V189 HydrophobicContact CB-CG2 4.03Å; L187-V189 PolarHBondContact O-N 3.49Å; V189-I191 PolarHBondContact O-N 3.23Å; V189-F227 VanDerWaalsContact O-CE1 3.31Å; V189-F227 WeakPolarHBondContact O-CE1 3.49Å
190Q98.5Very high96.5Very high99 Ų9940.7 Ų40.746%0.46320%0.204SC..EExtended strand (participates in β ladder)trans-77.2115.5179.2-65.4178.240.200111V151V151-Q190 PolarHBondContact N-O 3.23Å
191I98.6Very high95.7Very high2 Ų243.4 Ų43.41%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-90.5126.8164.2-50.1-54000108.1L139 V151 L153 L181 A184 V189 F227 M229L139-I191 HydrophobicContact CD1-CD1 4.5Å; V151-I191 HydrophobicContact CB-CD1 3.67Å; V151-I191 HydrophobicContact CG1-CD1 3.83Å; V151-I191 HydrophobicContact CG2-CD1 4.47Å; L153-I191 HydrophobicContact CD1-CG2 4.06Å; L153-I191 HydrophobicContact CD2-CD1 4.26Å; L153-I191 HydrophobicContact CG-CD1 4.44Å; L153-I191 HydrophobicContact CG-CG2 3.89Å; L181-I191 HydrophobicContact CD2-CB 4.27Å; L181-I191 HydrophobicContact CD2-CG1 4.14Å; L181-I191 HydrophobicContact CD2-CG2 3.99Å; A184-I191 HydrophobicContact CB-CD1 3.6Å; A184-I191 HydrophobicContact CB-CG1 3.57Å; V189-I191 PolarHBondContact O-N 3.23Å; I191-F227 HydrophobicContact CB-CD1 4.08Å; I191-F227 HydrophobicContact CB-CD2 4.44Å; I191-F227 HydrophobicContact CB-CE1 4.24Å; I191-F227 HydrophobicContact CB-CG 4.19Å; I191-F227 HydrophobicContact CB-CZ 4.47Å; I191-F227 HydrophobicContact CG1-CD1 4.44Å; I191-F227 HydrophobicContact CG1-CE1 4.11Å; I191-F227 HydrophobicContact CG1-CE2 4.25Å; I191-F227 HydrophobicContact CG1-CZ 3.99Å; I191-M229 HydrophobicContact CG2-CE 4.27Å; I191-M229 HydrophobicContact CG2-SD 3.98Å
192I98.8Very high94.9Very high10 Ų1044.3 Ų44.35%0.05123%0.233CC..EExtended strand (participates in β ladder)trans-118.6-7.4-176.463.6154.5000113.4I130 K150 V151 L152 M229 N230 M231I130-I192 HydrophobicContact CG1-CD1 4.5Å; I130-I192 HydrophobicContact CG2-CD1 4.39Å; K150-I192 HydrophobicContact CB-CD1 3.68Å; K150-I192 HydrophobicContact CB-CG1 3.91Å; K150-I192 HydrophobicContact CB-CG2 3.88Å; K150-I192 HydrophobicContact CD-CD1 4.32Å; K150-I192 HydrophobicContact CD-CG2 4.31Å; K150-I192 HydrophobicContact CG-CG2 4.09Å; V151-I192 PolarHBondContact O-N 3.44Å; L152-I192 HydrophobicContact CD2-CD1 4.14Å; L152-I192 HydrophobicContact CD2-CG1 3.86Å; I192-M229 CarbonylContact O-C 3.56Å; I192-M229 WeakPolarHBondContact O-CA 3.46Å; I192-N230 PolarHBondContact O-N 2.56Å; I192-N230 PolarHBondContact O-OD1 3.34Å; I192-M231 HydrophobicContact CD1-CB 4.3Å; I192-M231 HydrophobicContact CD1-SD 4.2Å; I192-M231 PolarHBondContact O-N 3.19Å; I192-M231 VanDerWaalsContact O-N 3.13Å
193G98.7Very high94Very high0 Ų048.3 Ų48.30%025%0.249CC..EExtended strand (participates in β ladder)trans179.4-176.1-170.200000115.5L152 L153 M229 M231L152-G193 WeakPolarHBondContact CA-O 3.17Å; L153-G193 PolarHBondContact N-O 3.38Å; G193-M229 VanDerWaalsContact CA-CE 3.46Å; G193-M231 WeakPolarHBondContact CA-O 3.47Å
194V98.8Very high93.5Very high0 Ų052.5 Ų52.50%027%0.267CS..EExtended strand (participates in β ladder)trans-125.7146.3178.9177.90000109L153 I155 A215 V218 F219 M229 M231 L232 D233L153-V194 CarbonylContact O-C 3.29Å; L153-V194 WeakPolarHBondContact O-CA 3.15Å; I155-V194 HydrophobicContact CD1-CG1 3.92Å; I155-V194 HydrophobicContact CG1-CG1 3.95Å; I155-V194 HydrophobicContact CG2-CG1 3.95Å; V194-A215 HydrophobicContact CB-CB 4.24Å; V194-A215 HydrophobicContact CG1-CB 3.84Å; V194-V218 HydrophobicContact CG2-CB 3.78Å; V194-V218 HydrophobicContact CG2-CG1 3.51Å; V194-F219 HydrophobicContact CB-CD2 4.3Å; V194-F219 HydrophobicContact CB-CE2 3.9Å; V194-F219 HydrophobicContact CG2-CD2 3.64Å; V194-F219 HydrophobicContact CG2-CE2 3.69Å; V194-M229 HydrophobicContact CG2-CE 3.99Å; V194-M231 PolarHBondContact N-O 2.85Å; V194-L232 HydrophobicContact CB-CD1 4.27Å; V194-D233 PolarHBondContact O-N 2.77Å
195K98.5Very high92.8Very high10 Ų1055 Ų554%0.04329%0.285CS..EExtended strand (participates in β ladder)trans-121.9144.2169.7170.7175.9-177.8158.60109.7T132 L152 L153 H154 I155 D233 E271T132-K195 HydrophobicContact CG2-CD 3.34Å; L152-K195 HydrophobicContact CB-CB 4.3Å; L153-K195 PolarHBondContact O-N 2.99Å; H154-K195 CarbonylContact C-O 3.53Å; H154-K195 VanDerWaalsContact CA-O 3.29Å; H154-K195 WeakPolarHBondContact CA-O 3.28Å; H154-K195 HydrophobicContact CB-CB 4.35Å; H154-K195 PolarHBondContact CD2-O 3.07Å; I155-K195 WeakPolarHBondContact CG1-O 3.36Å; I155-K195 PolarHBondContact N-O 3.29Å; K195-D233 WeakPolarHBondContact CA-O 3.43Å; K195-D233 HydrophobicContact CB-CB 4Å; K195-D233 WeakPolarHBondContact CD-OD2 3.42Å; K195-D233 HydrophobicContact CG-CB 4.18Å; K195-D233 WeakPolarHBondContact CG-OD2 3.44Å; K195-D233 IonicContact NZ-OD2 2.73Å; K195-E271 WeakPolarHBondContact CE-OE2 3.39Å; K195-E271 IonicContact NZ-OE1 3.68Å; K195-E271 PolarHBondContact NZ-OE1 3.01Å; K195-E271 IonicContact NZ-OE2 2.79Å; K195-E271 PolarHBondContact NZ-OE2 2.77Å
196F96.7Very high92.4Very high1 Ų154.6 Ų54.60%0.00429%0.285CS..  trans-140.2169.316060.5-95.1000110I155 T157 V198 Y208 A211 L212 L232 D233 I234 G235I155-F196 HydrophobicContact CD1-CB 4.26Å; I155-F196 HydrophobicContact CD1-CD1 4.47Å; I155-F196 HydrophobicContact CG1-CB 3.74Å; T157-F196 HydrophobicContact CG2-CB 3.91Å; T157-F196 HydrophobicContact CG2-CD2 4.38Å; F196-V198 HydrophobicContact CD2-CG2 4.18Å; F196-V198 HydrophobicContact CE2-CG2 4.35Å; F196-Y208 HydrophobicContact CE2-CD1 4.19Å; F196-Y208 HydrophobicContact CE2-CE1 4.42Å; F196-A211 HydrophobicContact CB-CB 4.46Å; F196-A211 HydrophobicContact CD1-CB 4.19Å; F196-A211 HydrophobicContact CD2-CB 3.72Å; F196-A211 HydrophobicContact CE1-CB 4.34Å; F196-A211 HydrophobicContact CE2-CB 3.88Å; F196-A211 HydrophobicContact CG-CB 3.88Å; F196-A211 HydrophobicContact CZ-CB 4.18Å; F196-L212 HydrophobicContact CE1-CD2 3.97Å; F196-L212 HydrophobicContact CE1-CG 4.45Å; F196-L212 HydrophobicContact CZ-CD2 3.88Å; F196-L212 HydrophobicContact CZ-CG 4.12Å; F196-L232 HydrophobicContact CE1-CD1 4.2Å; F196-D233 PolarHBondContact N-O 2.87Å; F196-I234 HydrophobicContact CE1-CB 4.43Å; F196-I234 HydrophobicContact CE1-CG2 4.11Å; F196-I234 HydrophobicContact CE2-CB 4.05Å; F196-I234 HydrophobicContact CE2-CG2 4.49Å; F196-I234 HydrophobicContact CZ-CB 3.75Å; F196-I234 HydrophobicContact CZ-CG2 3.69Å; F196-I234 CarbonylContact O-C 3.03Å; F196-G235 VanDerWaalsContact O-CA 3.25Å; F196-G235 WeakPolarHBondContact O-CA 3.36Å; F196-G235 PolarHBondContact O-N 2.92Å; F196-G235 VanDerWaalsContact O-N 3.15Å
197H94.3Very high92.1Very high73 Ų7346.9 Ų46.934%0.33825%0.249SC..  trans-140.2123.3173.8179.294000109.2T157 G236T157-H197 PolarHBondContact OG1-O 3.05Å; H197-G236 PolarHBondContact ND1-N 3.4Å
198V91.4Very high91.8Very high0 Ų044.2 Ų44.20%023%0.234CC..  trans-106.9127.3169.2-178.90000107.2T157 F196 C202 V207 Y208 G237T157-V198 HydrophobicContact CG2-CG2 4.1Å; F196-V198 HydrophobicContact CD2-CG2 4.18Å; F196-V198 HydrophobicContact CE2-CG2 4.35Å; V198-C202 HydrophobicContact CG1-CB 3.88Å; V198-V207 HydrophobicContact CG1-CB 4.38Å; V198-V207 HydrophobicContact CG1-CG1 3.98Å; V198-V207 HydrophobicContact CG2-CG1 3.88Å; V198-Y208 HydrophobicContact CB-CD1 4.43Å; V198-Y208 HydrophobicContact CB-CD2 4.48Å; V198-Y208 HydrophobicContact CB-CE1 3.87Å; V198-Y208 HydrophobicContact CB-CE2 3.92Å; V198-Y208 HydrophobicContact CG1-CD2 4.16Å; V198-Y208 HydrophobicContact CG1-CE1 4.5Å; V198-Y208 HydrophobicContact CG1-CE2 3.64Å; V198-Y208 HydrophobicContact CG2-CD1 3.99Å; V198-Y208 HydrophobicContact CG2-CD2 4.45Å; V198-Y208 HydrophobicContact CG2-CE1 3.88Å; V198-Y208 HydrophobicContact CG2-CE2 4.35Å; V198-Y208 HydrophobicContact CG2-CG 4.28Å; V198-G237 VanDerWaalsContact O-CA 3.23Å; V198-G237 WeakPolarHBondContact O-CA 3.44Å
199S87.7Confident91.6Very high22 Ų2239.1 Ų39.115%0.15421%0.208CC..  trans-61.5145.6-179.6174.30000112.6A201 C202S199-A201 PolarHBondContact O-N 2.92Å; S199-A201 PolarHBondContact OG-N 3.48Å; S199-A201 VanDerWaalsContact OG-N 3.13Å; S199-C202 VanDerWaalsContact O-CB 3.24Å; S199-C202 WeakPolarHBondContact O-CB 3.35Å; S199-C202 PolarHBondContact O-N 3.36Å
200S82.9Confident91.5Very high45 Ų4543 Ų4332%0.31523%0.226SC..THydrogen-bonded Turntrans-62.8-20.5171.652.20000113.4C202 G237S200-C202 VanDerWaalsContact C-N 3.31Å; S200-G237 WeakPolarHBondContact CA-O 3.3Å
201A81.3Confident91.3Very high57 Ų5738.5 Ų38.547%0.47121%0.205SC..THydrogen-bonded Turntrans-77.3-17.7174.100000112.6I161 S199 K203I161-A201 HydrophobicContact CG2-CB 4.16Å; S199-A201 PolarHBondContact O-N 2.92Å; S199-A201 PolarHBondContact OG-N 3.48Å; S199-A201 VanDerWaalsContact OG-N 3.13Å; A201-K203 PolarHBondContact O-N 3.4Å
202C81.4Confident91.3Very high20 Ų2038.4 Ų38.414%0.13521%0.205CC..  trans-72.2121.2178.7-170.60000110.5D159 V198 S199 S200D159-C202 HydrophobicContact CB-CB 4.32Å; V198-C202 HydrophobicContact CG1-CB 3.88Å; S199-C202 VanDerWaalsContact O-CB 3.24Å; S199-C202 WeakPolarHBondContact O-CB 3.35Å; S199-C202 PolarHBondContact O-N 3.36Å; S200-C202 VanDerWaalsContact C-N 3.31Å
203K80.4Confident91.2Very high166 Ų16640.3 Ų40.372%0.72222%0.219SC*.  trans-96.1-8.4176.7-61-58.4-175.2-175.20113.5A201 S205A201-K203 PolarHBondContact O-N 3.4Å; K203-S205 PolarHBondContact O-N 2.88Å
204E85.8Confident91.2Very high101 Ų10142.5 Ų42.547%0.47223%0.231SC..  trans-87.8104.1-176.6-173.8166.9-165.400110.7Q206 V207E204-Q206 HydrophobicContact CG-CB 4.16Å; E204-Q206 PolarHBondContact O-N 2.86Å; E204-V207 HydrophobicContact CB-CG2 4.15Å; E204-V207 HydrophobicContact CG-CG2 4.29Å; E204-V207 WeakPolarHBondContact O-CG2 3.25Å; E204-V207 PolarHBondContact O-N 3.34Å
205S85.1Confident91.1Very high54 Ų5442.5 Ų42.538%0.37823%0.231SC..THydrogen-bonded Turntrans-61.9-26-179.154.30000114K203 V207 Y208K203-S205 PolarHBondContact O-N 2.88Å; S205-V207 PolarHBondContact O-N 2.95Å; S205-Y208 PolarHBondContact O-N 2.98Å; S205-Y208 VanDerWaalsContact O-N 3.16Å
206Q88.9Confident91.1Very high96 Ų9645 Ų4545%0.44924%0.24SC..Hα-helixtrans-60.9-25.4178.7-65.7-57.9-50.200112.9E204 Y208 V209 H210E204-Q206 HydrophobicContact CG-CB 4.16Å; E204-Q206 PolarHBondContact O-N 2.86Å; Q206-Y208 VanDerWaalsContact C-N 3.29Å; Q206-Y208 PolarHBondContact O-N 3.41Å; Q206-V209 WeakPolarHBondContact O-CB 3.48Å; Q206-V209 PolarHBondContact O-N 3.27Å; Q206-V209 VanDerWaalsContact O-N 3.07Å; Q206-H210 PolarHBondContact O-N 2.97Å
207V92.1Very high91.2Very high6 Ų647.4 Ų47.44%0.03626%0.256CS..Hα-helixtrans-61.2-39.4177.3-177.60000111.3E158 D159 V198 E204 S205 V209 H210 A211E158-V207 WeakPolarHBondContact O-CG2 3.3Å; D159-V207 HydrophobicContact CB-CG1 4.24Å; V198-V207 HydrophobicContact CG1-CB 4.38Å; V198-V207 HydrophobicContact CG1-CG1 3.98Å; V198-V207 HydrophobicContact CG2-CG1 3.88Å; E204-V207 HydrophobicContact CB-CG2 4.15Å; E204-V207 HydrophobicContact CG-CG2 4.29Å; E204-V207 WeakPolarHBondContact O-CG2 3.25Å; E204-V207 PolarHBondContact O-N 3.34Å; S205-V207 PolarHBondContact O-N 2.95Å; V207-V209 VanDerWaalsContact C-N 3.34Å; V207-H210 PolarHBondContact O-N 3.45Å; V207-A211 WeakPolarHBondContact O-CB 3.38Å; V207-A211 PolarHBondContact O-N 2.98Å
208Y92.6Very high91.4Very high13 Ų1343.9 Ų43.95%0.05124%0.24CC..Hα-helixtrans-66.5-36.5174.7-78.3-81.4000112.3F196 V198 S205 Q206 A211 L212 V248 I252F196-Y208 HydrophobicContact CE2-CD1 4.19Å; F196-Y208 HydrophobicContact CE2-CE1 4.42Å; V198-Y208 HydrophobicContact CB-CD1 4.43Å; V198-Y208 HydrophobicContact CB-CD2 4.48Å; V198-Y208 HydrophobicContact CB-CE1 3.87Å; V198-Y208 HydrophobicContact CB-CE2 3.92Å; V198-Y208 HydrophobicContact CG1-CD2 4.16Å; V198-Y208 HydrophobicContact CG1-CE1 4.5Å; V198-Y208 HydrophobicContact CG1-CE2 3.64Å; V198-Y208 HydrophobicContact CG2-CD1 3.99Å; V198-Y208 HydrophobicContact CG2-CD2 4.45Å; V198-Y208 HydrophobicContact CG2-CE1 3.88Å; V198-Y208 HydrophobicContact CG2-CE2 4.35Å; V198-Y208 HydrophobicContact CG2-CG 4.28Å; S205-Y208 PolarHBondContact O-N 2.98Å; S205-Y208 VanDerWaalsContact O-N 3.16Å; Q206-Y208 VanDerWaalsContact C-N 3.29Å; Q206-Y208 PolarHBondContact O-N 3.41Å; Y208-A211 PolarHBondContact O-N 3Å; Y208-L212 WeakPolarHBondContact O-CB 3.36Å; Y208-L212 WeakPolarHBondContact O-CG 3.43Å; Y208-L212 PolarHBondContact O-N 2.9Å; Y208-V248 HydrophobicContact CE1-CG1 4.14Å; Y208-V248 HydrophobicContact CE2-CG1 4.36Å; Y208-V248 HydrophobicContact CE2-CG2 4.16Å; Y208-I252 HydrophobicContact CD1-CG2 3.77Å; Y208-I252 HydrophobicContact CE1-CG2 4.49Å; Y208-I252 HydrophobicContact CG-CG2 4.04Å
209V93.9Very high91.8Very high37 Ų3744.2 Ų44.222%0.22424%0.241CC..Hα-helixtrans-61.9-48.5177.6-174.40000110.3Q206 V207 S213 V251 L255Q206-V209 WeakPolarHBondContact O-CB 3.48Å; Q206-V209 PolarHBondContact O-N 3.27Å; Q206-V209 VanDerWaalsContact O-N 3.07Å; V207-V209 VanDerWaalsContact C-N 3.34Å; V209-S213 WeakPolarHBondContact O-CB 3.37Å; V209-S213 PolarHBondContact O-N 3.26Å; V209-V251 HydrophobicContact CG2-CG1 4.16Å; V209-L255 HydrophobicContact CB-CD1 4.17Å; V209-L255 HydrophobicContact CG1-CD1 4.12Å; V209-L255 HydrophobicContact CG2-CD1 3.99Å
210H94.8Very high92.3Very high92 Ų9246.9 Ų46.943%0.42625%0.254SS..Hα-helixtrans-63.4-47.2177.5-65.5177.2000111.3E158 Q206 V207 L212 S213 D214E158-H210 IonicContact OE2-ND1 2.69Å; Q206-H210 PolarHBondContact O-N 2.97Å; V207-H210 PolarHBondContact O-N 3.45Å; H210-L212 VanDerWaalsContact C-N 3.34Å; H210-L212 PolarHBondContact O-N 2.83Å; H210-S213 PolarHBondContact O-N 3.27Å; H210-D214 WeakPolarHBondContact O-CB 3.43Å; H210-D214 PolarHBondContact O-N 3.21Å
211A95.8Very high93Very high4 Ų446.3 Ų46.33%0.03325%0.246CC..Hα-helixtrans-59.5-41.3179.800000113T157 F196 V207 Y208 D214 A215T157-A211 HydrophobicContact CG2-CB 4.07Å; F196-A211 HydrophobicContact CB-CB 4.46Å; F196-A211 HydrophobicContact CD1-CB 4.19Å; F196-A211 HydrophobicContact CD2-CB 3.72Å; F196-A211 HydrophobicContact CE1-CB 4.34Å; F196-A211 HydrophobicContact CE2-CB 3.88Å; F196-A211 HydrophobicContact CG-CB 3.88Å; F196-A211 HydrophobicContact CZ-CB 4.18Å; V207-A211 WeakPolarHBondContact O-CB 3.38Å; V207-A211 PolarHBondContact O-N 2.98Å; Y208-A211 PolarHBondContact O-N 3Å; A211-D214 PolarHBondContact O-N 3.02Å; A211-A215 WeakPolarHBondContact O-CB 3.37Å; A211-A215 PolarHBondContact O-N 3.03Å
212L97.2Very high93.8Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-70.4-39.6177.5-74.7169.7000112.6F196 Y208 H210 D214 A215 R216 L232 I252 L255 L256 Y259 F260F196-L212 HydrophobicContact CE1-CD2 3.97Å; F196-L212 HydrophobicContact CE1-CG 4.45Å; F196-L212 HydrophobicContact CZ-CD2 3.88Å; F196-L212 HydrophobicContact CZ-CG 4.12Å; Y208-L212 WeakPolarHBondContact O-CB 3.36Å; Y208-L212 WeakPolarHBondContact O-CG 3.43Å; Y208-L212 PolarHBondContact O-N 2.9Å; H210-L212 VanDerWaalsContact C-N 3.34Å; H210-L212 PolarHBondContact O-N 2.83Å; L212-D214 VanDerWaalsContact C-N 3.35Å; L212-A215 PolarHBondContact O-N 3.44Å; L212-R216 PolarHBondContact O-N 2.98Å; L212-L232 HydrophobicContact CD2-CD2 4.01Å; L212-I252 HydrophobicContact CD1-CB 4.04Å; L212-I252 HydrophobicContact CD1-CG2 4.02Å; L212-L255 HydrophobicContact CD1-CB 3.78Å; L212-L255 HydrophobicContact CD1-CD1 3.81Å; L212-L255 HydrophobicContact CD1-CG 4.48Å; L212-L256 HydrophobicContact CD2-CD2 3.7Å; L212-Y259 HydrophobicContact CB-CD2 4.35Å; L212-F260 HydrophobicContact CD2-CE2 4.36Å
213S97Very high94.6Very high49 Ų4944.6 Ų44.634%0.34324%0.238SC..Hα-helixtrans-61.6-44.2173.1173.60000111.4V209 H210 R216 C217V209-S213 WeakPolarHBondContact O-CB 3.37Å; V209-S213 PolarHBondContact O-N 3.26Å; H210-S213 PolarHBondContact O-N 3.27Å; S213-R216 WeakPolarHBondContact O-CB 3.39Å; S213-R216 PolarHBondContact O-N 3.03Å; S213-C217 PolarHBondContact O-N 3.42Å
214D97.9Very high95.5Very high47 Ų4744.5 Ų44.525%0.25124%0.24SC..Hα-helixtrans-65.1-42.8177.9-77.411.3000111.3I155 L174 H210 A211 L212 R216 C217 V218I155-D214 HydrophobicContact CD1-CB 3.75Å; L174-D214 HydrophobicContact CD1-CB 4.21Å; L174-D214 WeakPolarHBondContact CD1-OD1 3.14Å; L174-D214 HydrophobicContact CD2-CB 3.82Å; L174-D214 HydrophobicContact CG-CB 4.17Å; H210-D214 WeakPolarHBondContact O-CB 3.43Å; H210-D214 PolarHBondContact O-N 3.21Å; A211-D214 PolarHBondContact O-N 3.02Å; L212-D214 VanDerWaalsContact C-N 3.35Å; D214-R216 VanDerWaalsContact C-N 3.33Å; D214-R216 PolarHBondContact O-N 3.5Å; D214-C217 WeakPolarHBondContact O-CB 3.4Å; D214-C217 PolarHBondContact O-N 3.36Å; D214-V218 WeakPolarHBondContact O-CG2 3.47Å; D214-V218 PolarHBondContact O-N 3.46Å
215A98.4Very high96Very high0 Ų041.7 Ų41.70%023%0.228CC..Hα-helixtrans-58.9-44.4173.300000111.4I155 V194 A211 L212 C217 V218 F219 L232 F260I155-A215 HydrophobicContact CD1-CB 4.25Å; V194-A215 HydrophobicContact CB-CB 4.24Å; V194-A215 HydrophobicContact CG1-CB 3.84Å; A211-A215 WeakPolarHBondContact O-CB 3.37Å; A211-A215 PolarHBondContact O-N 3.03Å; L212-A215 PolarHBondContact O-N 3.44Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.01Å; A215-V218 PolarHBondContact O-N 3.21Å; A215-F219 VanDerWaalsContact O-CD2 3.24Å; A215-F219 WeakPolarHBondContact O-CD2 3.49Å; A215-F219 PolarHBondContact O-N 2.76Å; A215-L232 HydrophobicContact CB-CD1 3.8Å; A215-F260 HydrophobicContact CB-CZ 4.23Å
216R98.3Very high96.6Very high62 Ų6241.5 Ų41.523%0.23424%0.235CC..Hα-helixtrans-58.8-44.7175.6-176.864.2-97171.1-6.1111.6L212 S213 D214 V218 F219 D220 Y259 F260L212-R216 PolarHBondContact O-N 2.98Å; S213-R216 WeakPolarHBondContact O-CB 3.39Å; S213-R216 PolarHBondContact O-N 3.03Å; D214-R216 VanDerWaalsContact C-N 3.33Å; D214-R216 PolarHBondContact O-N 3.5Å; R216-V218 VanDerWaalsContact C-N 3.34Å; R216-V218 PolarHBondContact O-N 2.94Å; R216-F219 VanDerWaalsContact NH2-CB 3.34Å; R216-F219 WeakPolarHBondContact O-CB 3.4Å; R216-F219 PolarHBondContact O-N 3.26Å; R216-D220 IonicContact CZ-OD1 3.74Å; R216-D220 VanDerWaalsContact CZ-OD1 3.26Å; R216-D220 IonicContact NE-OD1 2.6Å; R216-D220 PolarHBondContact NE-OD1 3.34Å; R216-D220 IonicContact NE-OD2 2.79Å; R216-D220 IonicContact NH2-OD1 3.75Å; R216-D220 PolarHBondContact NH2-OD1 3.23Å; R216-D220 VanDerWaalsContact O-CG 3.27Å; R216-D220 PolarHBondContact O-N 3.06Å; R216-Y259 HydrophobicContact CB-CD1 4.27Å; R216-Y259 HydrophobicContact CB-CG 4.13Å; R216-Y259 WeakPolarHBondContact CD-O 3.42Å; R216-Y259 HydrophobicContact CG-CD1 3.82Å; R216-Y259 HydrophobicContact CG-CE1 4.41Å; R216-Y259 HydrophobicContact CG-CG 4.1Å; R216-Y259 PolarHBondContact NH1-O 2.92Å; R216-F260 HydrophobicContact CB-CZ 4.19Å
217C98.4Very high97.1Very high51 Ų5138.2 Ų38.235%0.34522%0.219SC..Hα-helixtrans-59.1-43.6176.2-174.80000112S213 D214 A215 D220 M221S213-C217 PolarHBondContact O-N 3.42Å; D214-C217 WeakPolarHBondContact O-CB 3.4Å; D214-C217 PolarHBondContact O-N 3.36Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.01Å; C217-D220 PolarHBondContact O-N 2.89Å; C217-M221 WeakPolarHBondContact O-CG 3.41Å; C217-M221 PolarHBondContact O-N 3.34Å
218V98.7Very high97.4Very high0 Ų043.3 Ų43.30%025%0.25CS..Hα-helixtrans-66.6-38.4176.9176.20000111.9L153 I155 L174 C177 L181 V194 D214 A215 R216 D220 M221 A222L153-V218 HydrophobicContact CD1-CG1 4.2Å; I155-V218 HydrophobicContact CG2-CG2 4.15Å; L174-V218 HydrophobicContact CD2-CG2 3.68Å; C177-V218 HydrophobicContact CB-CG2 3.9Å; L181-V218 HydrophobicContact CD1-CG1 4.39Å; V194-V218 HydrophobicContact CG2-CB 3.78Å; V194-V218 HydrophobicContact CG2-CG1 3.51Å; D214-V218 WeakPolarHBondContact O-CG2 3.47Å; D214-V218 PolarHBondContact O-N 3.46Å; A215-V218 PolarHBondContact O-N 3.21Å; R216-V218 VanDerWaalsContact C-N 3.34Å; R216-V218 PolarHBondContact O-N 2.94Å; V218-D220 VanDerWaalsContact C-N 3.31Å; V218-D220 PolarHBondContact O-N 3.32Å; V218-M221 HydrophobicContact CB-CE 4.32Å; V218-M221 HydrophobicContact CG2-CE 3.83Å; V218-M221 PolarHBondContact O-N 3.3Å; V218-A222 VanDerWaalsContact O-CB 3.25Å; V218-A222 WeakPolarHBondContact O-CB 3.49Å; V218-A222 PolarHBondContact O-N 3.49Å
219F98.7Very high97.7Very high7 Ų743.8 Ų43.83%0.03125%0.253CS..Hα-helixtrans-59.9-42172.9-91.1-117.9000111.9V194 A215 R216 A222 G223 M229 M231 L232 F260 V266V194-F219 HydrophobicContact CB-CD2 4.3Å; V194-F219 HydrophobicContact CB-CE2 3.9Å; V194-F219 HydrophobicContact CG2-CD2 3.64Å; V194-F219 HydrophobicContact CG2-CE2 3.69Å; A215-F219 VanDerWaalsContact O-CD2 3.24Å; A215-F219 WeakPolarHBondContact O-CD2 3.49Å; A215-F219 PolarHBondContact O-N 2.76Å; R216-F219 VanDerWaalsContact NH2-CB 3.34Å; R216-F219 WeakPolarHBondContact O-CB 3.4Å; R216-F219 PolarHBondContact O-N 3.26Å; F219-A222 PolarHBondContact O-N 3.03Å; F219-G223 PolarHBondContact O-N 3.11Å; F219-M229 HydrophobicContact CD1-CB 3.35Å; F219-M229 HydrophobicContact CD1-CG 4.15Å; F219-M229 HydrophobicContact CD2-CE 3.88Å; F219-M229 HydrophobicContact CE1-CB 3.52Å; F219-M229 HydrophobicContact CE2-CE 4.12Å; F219-M229 HydrophobicContact CG-CB 4Å; F219-M229 HydrophobicContact CG-CE 4.14Å; F219-M229 HydrophobicContact CG-CG 4.33Å; F219-M229 HydrophobicContact CZ-CB 4.29Å; F219-M231 VanDerWaalsContact CZ-O 3.3Å; F219-M231 WeakPolarHBondContact CZ-O 3.31Å; F219-L232 HydrophobicContact CE2-CD1 4.24Å; F219-L232 HydrophobicContact CZ-CB 4.26Å; F219-F260 HydrophobicContact CB-CE1 4.49Å; F219-F260 HydrophobicContact CD1-CD1 4.38Å; F219-F260 AromaticContact CD1-CE1 3.83Å; F219-F260 HydrophobicContact CD1-CE1 3.83Å; F219-F260 AromaticContact CD2-CE1 3.85Å; F219-F260 HydrophobicContact CD2-CE1 3.85Å; F219-F260 HydrophobicContact CD2-CZ 4.3Å; F219-F260 HydrophobicContact CE1-CD1 4.18Å; F219-F260 AromaticContact CE1-CE1 3.87Å; F219-F260 HydrophobicContact CE1-CE1 3.87Å; F219-F260 AromaticContact CE2-CE1 3.88Å; F219-F260 HydrophobicContact CE2-CE1 3.88Å; F219-F260 HydrophobicContact CE2-CZ 4.36Å; F219-F260 AromaticContact CG-CE1 3.81Å; F219-F260 HydrophobicContact CG-CE1 3.81Å; F219-F260 HydrophobicContact CZ-CD1 4.37Å; F219-F260 AromaticContact CZ-CE1 3.88Å; F219-F260 HydrophobicContact CZ-CE1 3.88Å; F219-V266 HydrophobicContact CE1-CG1 4.02Å; F219-V266 HydrophobicContact CE1-CG2 3.81Å; F219-V266 HydrophobicContact CZ-CG1 4.09Å
220D98.4Very high97.9Very high78 Ų7845 Ų4542%0.41726%0.258SS..Hα-helixtrans-65.4-49.8178.7-63.1-23000111.1R216 C217 V218 A222 G223 E224R216-D220 IonicContact CZ-OD1 3.74Å; R216-D220 VanDerWaalsContact CZ-OD1 3.26Å; R216-D220 IonicContact NE-OD1 2.6Å; R216-D220 PolarHBondContact NE-OD1 3.34Å; R216-D220 IonicContact NE-OD2 2.79Å; R216-D220 IonicContact NH2-OD1 3.75Å; R216-D220 PolarHBondContact NH2-OD1 3.23Å; R216-D220 VanDerWaalsContact O-CG 3.27Å; R216-D220 PolarHBondContact O-N 3.06Å; C217-D220 PolarHBondContact O-N 2.89Å; V218-D220 VanDerWaalsContact C-N 3.31Å; V218-D220 PolarHBondContact O-N 3.32Å; D220-A222 VanDerWaalsContact C-N 3.3Å; D220-A222 PolarHBondContact O-N 2.56Å; D220-G223 PolarHBondContact O-N 2.87Å; D220-G223 VanDerWaalsContact O-N 3.12Å; D220-E224 WeakPolarHBondContact O-CG 3.42Å; D220-E224 PolarHBondContact O-N 3.11Å
221M98.5Very high98.1Very high32 Ų3241.4 Ų41.416%0.15824%0.242CC..Hα-helixtrans-57.8-41.6176.2-70.2-172.5-69.900112.3C177 K178 L181 C217 V218 E224 I225C177-M221 HydrophobicContact CB-CE 4.44Å; K178-M221 HydrophobicContact CB-SD 4.02Å; K178-M221 HydrophobicContact CG-SD 4.45Å; L181-M221 HydrophobicContact CD1-CB 3.79Å; C217-M221 WeakPolarHBondContact O-CG 3.41Å; C217-M221 PolarHBondContact O-N 3.34Å; V218-M221 HydrophobicContact CB-CE 4.32Å; V218-M221 HydrophobicContact CG2-CE 3.83Å; V218-M221 PolarHBondContact O-N 3.3Å; M221-E224 PolarHBondContact O-N 3.02Å; M221-I225 WeakPolarHBondContact O-CG1 3.34Å; M221-I225 PolarHBondContact O-N 3.06Å
222A98.4Very high98.2Very high0 Ų041.2 Ų41.20%024%0.24CC..Hα-helixtrans-66.8-38.517800000111.7L181 V218 F219 D220 I225 G226 F227 M229L181-A222 HydrophobicContact CD1-CB 4.11Å; L181-A222 HydrophobicContact CD2-CB 3.66Å; V218-A222 VanDerWaalsContact O-CB 3.25Å; V218-A222 WeakPolarHBondContact O-CB 3.49Å; V218-A222 PolarHBondContact O-N 3.49Å; F219-A222 PolarHBondContact O-N 3.03Å; D220-A222 VanDerWaalsContact C-N 3.3Å; D220-A222 PolarHBondContact O-N 2.56Å; A222-I225 PolarHBondContact O-N 3.44Å; A222-G226 PolarHBondContact O-N 3.26Å; A222-G226 VanDerWaalsContact O-N 3.14Å; A222-F227 HydrophobicContact CB-CB 4.17Å; A222-F227 HydrophobicContact CB-CD2 4.3Å; A222-F227 WeakPolarHBondContact O-CB 3.4Å; A222-F227 PolarHBondContact O-N 3.28Å; A222-M229 HydrophobicContact CB-CE 3.96Å; A222-M229 HydrophobicContact CB-CG 3.66Å; A222-M229 HydrophobicContact CB-SD 3.55Å; A222-M229 VanDerWaalsContact CB-SD 3.55Å
223G97.9Very high98.3Very high42 Ų4241.2 Ų41.243%0.43324%0.24SC..Hα-helixtrans-61.3-42.1173.800000112.8F219 D220 I225 G226F219-G223 PolarHBondContact O-N 3.11Å; D220-G223 PolarHBondContact O-N 2.87Å; D220-G223 VanDerWaalsContact O-N 3.12Å; G223-I225 VanDerWaalsContact C-N 3.3Å; G223-I225 PolarHBondContact O-N 3.05Å; G223-G226 WeakPolarHBondContact O-CA 3.48Å; G223-G226 PolarHBondContact O-N 3.27Å
224E98.1Very high98.3Very high163 Ų16339 Ų3976%0.76223%0.225SC*.Hα-helixtrans-61.3-35.9175.6-69.7175.5179.800112.9D220 M221 G226D220-E224 WeakPolarHBondContact O-CG 3.42Å; D220-E224 PolarHBondContact O-N 3.11Å; M221-E224 PolarHBondContact O-N 3.02Å; E224-G226 PolarHBondContact O-N 3.35Å
225I97.8Very high98.2Very high42 Ų4236.8 Ų36.822%0.21521%0.213CC..Hα-helixtrans-77.7-12.7175.9-64.6165.6000111.8L181 E182 K185 M221 A222 G223 F227L181-I225 HydrophobicContact CB-CD1 3.51Å; L181-I225 HydrophobicContact CD1-CD1 4.32Å; E182-I225 HydrophobicContact CG-CD1 4.23Å; K185-I225 HydrophobicContact CB-CG2 3.84Å; K185-I225 HydrophobicContact CD-CG2 3.94Å; K185-I225 WeakPolarHBondContact CE-O 3.39Å; K185-I225 HydrophobicContact CG-CG2 3.83Å; K185-I225 PolarHBondContact NZ-O 2.85Å; K185-I225 VanDerWaalsContact NZ-O 3.1Å; M221-I225 WeakPolarHBondContact O-CG1 3.34Å; M221-I225 PolarHBondContact O-N 3.06Å; A222-I225 PolarHBondContact O-N 3.44Å; G223-I225 VanDerWaalsContact C-N 3.3Å; G223-I225 PolarHBondContact O-N 3.05Å; I225-F227 HydrophobicContact CB-CD2 4.19Å; I225-F227 HydrophobicContact CB-CE2 4.31Å; I225-F227 HydrophobicContact CG2-CD2 3.93Å; I225-F227 HydrophobicContact CG2-CE2 3.62Å
226G97.8Very high97.8Very high51 Ų5137.4 Ų37.453%0.52622%0.22SC..THydrogen-bonded Turntrans89.829.3177.200000114.3A222 G223 E224A222-G226 PolarHBondContact O-N 3.26Å; A222-G226 VanDerWaalsContact O-N 3.14Å; G223-G226 WeakPolarHBondContact O-CA 3.48Å; G223-G226 PolarHBondContact O-N 3.27Å; E224-G226 PolarHBondContact O-N 3.35Å
227F98.4Very high97.3Very high27 Ų2734.6 Ų34.612%0.11821%0.21CC..  trans-83150.8166.3-69.8-71.1000111.3L181 A184 K185 V189 I191 A222 I225 M229L181-F227 HydrophobicContact CD2-CD2 4.19Å; L181-F227 HydrophobicContact CD2-CE2 4.26Å; L181-F227 WeakPolarHBondContact O-CE2 3.35Å; A184-F227 HydrophobicContact CB-CZ 3.99Å; K185-F227 HydrophobicContact CB-CE2 4.27Å; K185-F227 HydrophobicContact CB-CZ 4.01Å; K185-F227 HydrophobicContact CD-CZ 4.18Å; V189-F227 VanDerWaalsContact O-CE1 3.31Å; V189-F227 WeakPolarHBondContact O-CE1 3.49Å; I191-F227 HydrophobicContact CB-CD1 4.08Å; I191-F227 HydrophobicContact CB-CD2 4.44Å; I191-F227 HydrophobicContact CB-CE1 4.24Å; I191-F227 HydrophobicContact CB-CG 4.19Å; I191-F227 HydrophobicContact CB-CZ 4.47Å; I191-F227 HydrophobicContact CG1-CD1 4.44Å; I191-F227 HydrophobicContact CG1-CE1 4.11Å; I191-F227 HydrophobicContact CG1-CE2 4.25Å; I191-F227 HydrophobicContact CG1-CZ 3.99Å; A222-F227 HydrophobicContact CB-CB 4.17Å; A222-F227 HydrophobicContact CB-CD2 4.3Å; A222-F227 WeakPolarHBondContact O-CB 3.4Å; A222-F227 PolarHBondContact O-N 3.28Å; I225-F227 HydrophobicContact CB-CD2 4.19Å; I225-F227 HydrophobicContact CB-CE2 4.31Å; I225-F227 HydrophobicContact CG2-CD2 3.93Å; I225-F227 HydrophobicContact CG2-CE2 3.62Å; F227-M229 HydrophobicContact CB-SD 4.39Å
228T98.1Very high97Very high112 Ų11232.3 Ų32.369%0.68719%0.194SC*.  trans-99.597.5172.6-54.90000109.4
229M98.4Very high96.6Very high24 Ų2434.8 Ų34.812%0.11821%0.209CC..  trans-84.7124-180-56.7-67.1-81.400110.3I191 I192 G193 V194 F219 A222 F227I191-M229 HydrophobicContact CG2-CE 4.27Å; I191-M229 HydrophobicContact CG2-SD 3.98Å; I192-M229 CarbonylContact O-C 3.56Å; I192-M229 WeakPolarHBondContact O-CA 3.46Å; G193-M229 VanDerWaalsContact CA-CE 3.46Å; V194-M229 HydrophobicContact CG2-CE 3.99Å; F219-M229 HydrophobicContact CD1-CB 3.35Å; F219-M229 HydrophobicContact CD1-CG 4.15Å; F219-M229 HydrophobicContact CD2-CE 3.88Å; F219-M229 HydrophobicContact CE1-CB 3.52Å; F219-M229 HydrophobicContact CE2-CE 4.12Å; F219-M229 HydrophobicContact CG-CB 4Å; F219-M229 HydrophobicContact CG-CE 4.14Å; F219-M229 HydrophobicContact CG-CG 4.33Å; F219-M229 HydrophobicContact CZ-CB 4.29Å; A222-M229 HydrophobicContact CB-CE 3.96Å; A222-M229 HydrophobicContact CB-CG 3.66Å; A222-M229 HydrophobicContact CB-SD 3.55Å; A222-M229 VanDerWaalsContact CB-SD 3.55Å; F227-M229 HydrophobicContact CB-SD 4.39Å
230N98.3Very high96.1Very high62 Ų6234.7 Ų34.733%0.33221%0.21SC..  trans-144.910.3-174.464.419000114.3I192 K267I192-N230 PolarHBondContact O-N 2.56Å; I192-N230 PolarHBondContact O-OD1 3.34Å; N230-K267 PolarHBondContact O-N 3.1Å
231M98.6Very high95.7Very high16 Ų1634.4 Ų34.48%0.07921%0.211CC..EExtended strand (participates in β ladder)trans-141.6130.7179.8-173.5166.9-7800111.5I130 L152 I192 G193 V194 F219 K267 I269I130-M231 HydrophobicContact CD1-CE 4.14Å; I130-M231 HydrophobicContact CD1-SD 4.39Å; I130-M231 HydrophobicContact CG2-SD 4.16Å; L152-M231 HydrophobicContact CD1-CG 4.48Å; L152-M231 HydrophobicContact CD1-SD 4.13Å; L152-M231 HydrophobicContact CD2-CB 3.92Å; L152-M231 HydrophobicContact CD2-CG 3.88Å; L152-M231 HydrophobicContact CD2-SD 4.02Å; I192-M231 HydrophobicContact CD1-CB 4.3Å; I192-M231 HydrophobicContact CD1-SD 4.2Å; I192-M231 PolarHBondContact O-N 3.19Å; I192-M231 VanDerWaalsContact O-N 3.13Å; G193-M231 WeakPolarHBondContact CA-O 3.47Å; V194-M231 PolarHBondContact N-O 2.85Å; F219-M231 VanDerWaalsContact CZ-O 3.3Å; F219-M231 WeakPolarHBondContact CZ-O 3.31Å; M231-K267 VanDerWaalsContact CA-O 3.32Å; M231-K267 WeakPolarHBondContact CA-O 3.46Å; M231-I269 HydrophobicContact CG-CD1 4.19Å; M231-I269 HydrophobicContact CG-CG1 4.38Å; M231-I269 HydrophobicContact SD-CD1 3.91Å
232L98.8Very high95.3Very high0 Ų037.9 Ų37.90%023%0.227CC..EExtended strand (participates in β ladder)trans-122.5125.7172.3177.766.8000108.7V194 F196 L212 A215 F219 I234 L256 F260 V266 K267 I268 I269V194-L232 HydrophobicContact CB-CD1 4.27Å; F196-L232 HydrophobicContact CE1-CD1 4.2Å; L212-L232 HydrophobicContact CD2-CD2 4.01Å; A215-L232 HydrophobicContact CB-CD1 3.8Å; F219-L232 HydrophobicContact CE2-CD1 4.24Å; F219-L232 HydrophobicContact CZ-CB 4.26Å; L232-I234 HydrophobicContact CD2-CG2 4.32Å; L232-I234 HydrophobicContact CG-CG2 4.29Å; L232-L256 HydrophobicContact CD2-CD2 3.87Å; L232-F260 HydrophobicContact CD1-CZ 4.46Å; L232-F260 HydrophobicContact CD2-CD2 3.58Å; L232-F260 HydrophobicContact CD2-CE2 3.55Å; L232-F260 HydrophobicContact CD2-CG 4.1Å; L232-F260 HydrophobicContact CD2-CZ 4.04Å; L232-V266 HydrophobicContact CB-CG1 4.11Å; L232-K267 PolarHBondContact N-O 3.31Å; L232-I268 CarbonylContact O-C 3.53Å; L232-I268 WeakPolarHBondContact O-CA 3.27Å; L232-I269 PolarHBondContact O-N 2.97Å
233D98.7Very high95.1Very high0 Ų044 Ų440%025%0.254CS..EExtended strand (participates in β ladder)trans-110.2118.1175.5179.16.3000110.3L152 V194 K195 F196 G235 I269L152-D233 HydrophobicContact CD1-CB 4.22Å; V194-D233 PolarHBondContact O-N 2.77Å; K195-D233 WeakPolarHBondContact CA-O 3.43Å; K195-D233 HydrophobicContact CB-CB 4Å; K195-D233 WeakPolarHBondContact CD-OD2 3.42Å; K195-D233 HydrophobicContact CG-CB 4.18Å; K195-D233 WeakPolarHBondContact CG-OD2 3.44Å; K195-D233 IonicContact NZ-OD2 2.73Å; F196-D233 PolarHBondContact N-O 2.87Å; D233-G235 PolarHBondContact OD1-N 3.09Å; D233-I269 WeakPolarHBondContact CA-O 3.48Å; D233-I269 HydrophobicContact CB-CD1 3.89Å; D233-I269 HydrophobicContact CB-CG1 3.6Å
234I97.4Very high94.8Very high3 Ų342.7 Ų42.72%0.01524%0.237CC..  trans-92.22.6-177.467.8165.3000113.5I62 F196 L232 F238 I252 I268 I269I62-I234 HydrophobicContact CD1-CD1 3.78Å; I62-I234 HydrophobicContact CG2-CD1 4.35Å; F196-I234 HydrophobicContact CE1-CB 4.43Å; F196-I234 HydrophobicContact CE1-CG2 4.11Å; F196-I234 HydrophobicContact CE2-CB 4.05Å; F196-I234 HydrophobicContact CE2-CG2 4.49Å; F196-I234 HydrophobicContact CZ-CB 3.75Å; F196-I234 HydrophobicContact CZ-CG2 3.69Å; F196-I234 CarbonylContact O-C 3.03Å; L232-I234 HydrophobicContact CD2-CG2 4.32Å; L232-I234 HydrophobicContact CG-CG2 4.29Å; I234-F238 HydrophobicContact CD1-CZ 4.01Å; I234-I252 HydrophobicContact CD1-CD1 3.77Å; I234-I268 HydrophobicContact CG2-CG2 4.16Å; I234-I269 WeakPolarHBondContact CG1-O 3.19Å; I234-I269 PolarHBondContact N-O 3.45Å
235G95.5Very high94.7Very high0 Ų035 Ų350%020%0.201CC..  trans77.5-160.2178.700000113.4F196 D233 S270 E271F196-G235 VanDerWaalsContact O-CA 3.25Å; F196-G235 WeakPolarHBondContact O-CA 3.36Å; F196-G235 PolarHBondContact O-N 2.92Å; F196-G235 VanDerWaalsContact O-N 3.15Å; D233-G235 PolarHBondContact OD1-N 3.09Å; G235-S270 WeakPolarHBondContact O-CA 3.45Å; G235-S270 WeakPolarHBondContact O-CB 3.33Å; G235-E271 PolarHBondContact O-N 3.13Å
236G91.1Very high94.6Very high14 Ų1437.6 Ų37.614%0.14421%0.212CC..  trans-132.212.9-159.800000116.1H197 F238 E271H197-G236 PolarHBondContact ND1-N 3.4Å; G236-F238 PolarHBondContact O-N 3.32Å; G236-E271 VanDerWaalsContact CA-O 3.3Å; G236-E271 WeakPolarHBondContact CA-O 3.42Å
237G88Confident94.4Very high2 Ų239.7 Ų39.72%0.02121%0.208CC..  trans-71.257-175.900000115V198 S200 Q244V198-G237 VanDerWaalsContact O-CA 3.23Å; V198-G237 WeakPolarHBondContact O-CA 3.44Å; S200-G237 WeakPolarHBondContact CA-O 3.3Å; G237-Q244 PolarHBondContact O-NE2 3.16Å
238F92.1Very high94.1Very high4 Ų439 Ų392%0.01821%0.206CC..  trans-117.3124.8-179.9-54.1-78.5000109.7W55 I234 G236 G240 Q244 L245 V248 P272 Y275W55-F238 HydrophobicContact CH2-CD2 4.16Å; W55-F238 HydrophobicContact CH2-CE1 4.41Å; W55-F238 AromaticContact CH2-CE2 3.72Å; W55-F238 HydrophobicContact CH2-CE2 3.72Å; W55-F238 AromaticContact CH2-CZ 3.86Å; W55-F238 HydrophobicContact CH2-CZ 3.86Å; W55-F238 HydrophobicContact CZ3-CD1 4.35Å; W55-F238 AromaticContact CZ3-CD2 3.92Å; W55-F238 HydrophobicContact CZ3-CD2 3.92Å; W55-F238 HydrophobicContact CZ3-CE1 4.36Å; W55-F238 AromaticContact CZ3-CE2 3.95Å; W55-F238 HydrophobicContact CZ3-CE2 3.95Å; W55-F238 HydrophobicContact CZ3-CG 4.13Å; W55-F238 HydrophobicContact CZ3-CZ 4.17Å; I234-F238 HydrophobicContact CD1-CZ 4.01Å; G236-F238 PolarHBondContact O-N 3.32Å; F238-G240 VanDerWaalsContact C-N 3.31Å; F238-G240 PolarHBondContact O-N 2.79Å; F238-Q244 VanDerWaalsContact CA-OE1 3.28Å; F238-L245 HydrophobicContact CD1-CD1 3.68Å; F238-L245 HydrophobicContact CE1-CD1 3.82Å; F238-V248 HydrophobicContact CE1-CB 4.36Å; F238-V248 HydrophobicContact CE1-CG1 3.9Å; F238-P272 HydrophobicContact CD2-CB 4.28Å; F238-Y275 HydrophobicContact CB-CD2 3.76Å; F238-Y275 HydrophobicContact CB-CG 4.13Å; F238-Y275 PolarHBondContact O-N 3.28Å
239T88.6Confident94Very high51 Ų5135.2 Ų35.231%0.31318%0.181SC..  trans-75.2-23.1-175.158.20000112.8T241 Q244T239-T241 PolarHBondContact OG1-N 3.03Å; T239-T241 PolarHBondContact OG1-OG1 3.03Å; T239-Q244 HydrophobicContact CG2-CG 4.21Å; T239-Q244 PolarHBondContact OG1-OE1 3.26Å
240G88.4Confident93.8Very high5 Ų541.4 Ų41.45%0.05221%0.21CC..SBendtrans107.6-19.8-169.900000113.1K51 F238K51-G240 WeakPolarHBondContact CE-O 3.46Å; K51-G240 PolarHBondContact NZ-O 2.9Å; F238-G240 VanDerWaalsContact C-N 3.31Å; F238-G240 PolarHBondContact O-N 2.79Å
241T91.1Very high93.7Very high72 Ų7240.1 Ų40.144%0.44220%0.204SC..  trans-76.4145.4-179.268.40000111.4T239 Q244 L245T239-T241 PolarHBondContact OG1-N 3.03Å; T239-T241 PolarHBondContact OG1-OG1 3.03Å; T241-Q244 PolarHBondContact O-N 3.5Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.32Å; T241-Q244 PolarHBondContact OG1-N 3.35Å; T241-L245 PolarHBondContact O-N 3.13Å
242E90.9Very high93.5Very high105 Ų10539.5 Ų39.549%0.49120%0.201SC..Hα-helixtrans-62-47.9176.2-174.7170.7-153.100111.3Q54 Q244 L245 E246Q54-E242 HydrophobicContact CG-CB 4.46Å; Q54-E242 HydrophobicContact CG-CG 4.23Å; Q54-E242 VanDerWaalsContact NE2-CA 3.3Å; E242-Q244 VanDerWaalsContact C-N 3.32Å; E242-Q244 PolarHBondContact O-N 3.03Å; E242-L245 PolarHBondContact O-N 3.44Å; E242-E246 HydrophobicContact CG-CG 4.34Å; E242-E246 WeakPolarHBondContact O-CG 3.39Å; E242-E246 PolarHBondContact O-N 3.14Å
243F92.4Very high93.4Very high129 Ų12940.9 Ų40.957%0.56621%0.21SC*.Hα-helixtrans-51.1-47.7176.3179.1-101.9000113.1L245 E246 E247F243-L245 PolarHBondContact O-N 2.97Å; F243-E246 PolarHBondContact O-N 3.16Å; F243-E247 HydrophobicContact CD1-CG 4.36Å; F243-E247 HydrophobicContact CE1-CG 3.94Å; F243-E247 WeakPolarHBondContact CE1-OE1 3.44Å; F243-E247 WeakPolarHBondContact CE1-OE2 3.32Å; F243-E247 HydrophobicContact CE2-CG 4.17Å; F243-E247 HydrophobicContact CZ-CG 3.83Å; F243-E247 VanDerWaalsContact CZ-OE1 3.22Å; F243-E247 WeakPolarHBondContact CZ-OE1 3.29Å; F243-E247 WeakPolarHBondContact O-CG 3.49Å; F243-E247 PolarHBondContact O-N 3.21Å
244Q93.3Very high93.3Very high15 Ų1544.2 Ų44.27%0.0723%0.232CC..Hα-helixtrans-68-36.9-179.4-175.4-94.3-2300112.2G237 F238 T239 T241 E242 V248G237-Q244 PolarHBondContact O-NE2 3.16Å; F238-Q244 VanDerWaalsContact CA-OE1 3.28Å; T239-Q244 HydrophobicContact CG2-CG 4.21Å; T239-Q244 PolarHBondContact OG1-OE1 3.26Å; T241-Q244 PolarHBondContact O-N 3.5Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.32Å; T241-Q244 PolarHBondContact OG1-N 3.35Å; E242-Q244 VanDerWaalsContact C-N 3.32Å; E242-Q244 PolarHBondContact O-N 3.03Å; Q244-V248 WeakPolarHBondContact O-CG2 3.4Å; Q244-V248 PolarHBondContact O-N 3.31Å
245L94.9Very high93.2Very high1 Ų145.3 Ų45.31%0.00524%0.238CC..Hα-helixtrans-65.8-42.2175.9-175.564.6000111.3W55 V58 V59 F238 T241 E242 F243 V248 N249 Y275W55-L245 HydrophobicContact CE3-CD1 4.11Å; W55-L245 HydrophobicContact CE3-CD2 4.37Å; W55-L245 HydrophobicContact CZ3-CD1 3.87Å; V58-L245 HydrophobicContact CB-CD2 3.9Å; V58-L245 HydrophobicContact CB-CG 4.2Å; V58-L245 HydrophobicContact CG1-CD2 4.27Å; V58-L245 HydrophobicContact CG1-CG 4Å; V58-L245 HydrophobicContact CG2-CD2 4.09Å; V59-L245 HydrophobicContact CG2-CD1 4.44Å; F238-L245 HydrophobicContact CD1-CD1 3.68Å; F238-L245 HydrophobicContact CE1-CD1 3.82Å; T241-L245 PolarHBondContact O-N 3.13Å; E242-L245 PolarHBondContact O-N 3.44Å; F243-L245 PolarHBondContact O-N 2.97Å; L245-V248 PolarHBondContact O-N 3.07Å; L245-N249 VanDerWaalsContact O-CB 3.31Å; L245-N249 WeakPolarHBondContact O-CB 3.49Å; L245-N249 PolarHBondContact O-N 2.57Å; L245-Y275 HydrophobicContact CD2-CE2 4.08Å
246E95.1Very high93.3Very high97 Ų9745.4 Ų45.445%0.45324%0.239SC..Hα-helixtrans-64.3-43.3175.9-71-176.3153.100112.2V58 E242 F243 V248 N249 H250V58-E246 HydrophobicContact CG1-CG 4.41Å; V58-E246 HydrophobicContact CG2-CG 4.36Å; E242-E246 HydrophobicContact CG-CG 4.34Å; E242-E246 WeakPolarHBondContact O-CG 3.39Å; E242-E246 PolarHBondContact O-N 3.14Å; F243-E246 PolarHBondContact O-N 3.16Å; E246-V248 PolarHBondContact O-N 3.36Å; E246-N249 PolarHBondContact O-N 2.93Å; E246-H250 WeakPolarHBondContact O-CB 3.38Å; E246-H250 PolarHBondContact O-N 2.9Å
247E93.6Very high93.5Very high95 Ų9549.5 Ų49.544%0.44426%0.257SS..Hα-helixtrans-59.1-46.5175.4-78.2-168.7126.100111.5F243 H250 V251F243-E247 HydrophobicContact CD1-CG 4.36Å; F243-E247 HydrophobicContact CE1-CG 3.94Å; F243-E247 WeakPolarHBondContact CE1-OE1 3.44Å; F243-E247 WeakPolarHBondContact CE1-OE2 3.32Å; F243-E247 HydrophobicContact CE2-CG 4.17Å; F243-E247 HydrophobicContact CZ-CG 3.83Å; F243-E247 VanDerWaalsContact CZ-OE1 3.22Å; F243-E247 WeakPolarHBondContact CZ-OE1 3.29Å; F243-E247 WeakPolarHBondContact O-CG 3.49Å; F243-E247 PolarHBondContact O-N 3.21Å; E247-H250 PolarHBondContact O-N 3.06Å; E247-V251 WeakPolarHBondContact O-CG2 3.24Å; E247-V251 PolarHBondContact O-N 3.28Å
248V93.4Very high93.9Very high12 Ų1255.2 Ų55.27%0.07329%0.286CS..Hα-helixtrans-62.8-47.4176.2173.30000110.2Y208 F238 Q244 L245 E246 H250 V251 I252Y208-V248 HydrophobicContact CE1-CG1 4.14Å; Y208-V248 HydrophobicContact CE2-CG1 4.36Å; Y208-V248 HydrophobicContact CE2-CG2 4.16Å; F238-V248 HydrophobicContact CE1-CB 4.36Å; F238-V248 HydrophobicContact CE1-CG1 3.9Å; Q244-V248 WeakPolarHBondContact O-CG2 3.4Å; Q244-V248 PolarHBondContact O-N 3.31Å; L245-V248 PolarHBondContact O-N 3.07Å; E246-V248 PolarHBondContact O-N 3.36Å; V248-H250 VanDerWaalsContact C-N 3.31Å; V248-H250 PolarHBondContact O-N 3.12Å; V248-V251 PolarHBondContact O-N 3.31Å; V248-V251 VanDerWaalsContact O-N 3.08Å; V248-I252 HydrophobicContact CG1-CD1 4.07Å; V248-I252 HydrophobicContact CG1-CG1 4.43Å; V248-I252 HydrophobicContact CG1-CG2 4.12Å; V248-I252 WeakPolarHBondContact O-CG1 3.05Å; V248-I252 PolarHBondContact O-N 3.48Å
249N95.1Very high94.2Very high32 Ų3258.3 Ų58.317%0.17130%0.298CS..Hα-helixtrans-58.6-41.4179.3-173.342.7000112.5V58 V59 L245 E246 V251 I252 S253V58-N249 HydrophobicContact CG1-CB 3.7Å; V58-N249 PolarHBondContact O-ND2 3.1Å; V58-N249 VanDerWaalsContact O-ND2 3.1Å; V59-N249 HydrophobicContact CG1-CB 4.08Å; V59-N249 WeakPolarHBondContact CG1-OD1 3.33Å; L245-N249 VanDerWaalsContact O-CB 3.31Å; L245-N249 WeakPolarHBondContact O-CB 3.49Å; L245-N249 PolarHBondContact O-N 2.57Å; E246-N249 PolarHBondContact O-N 2.93Å; N249-V251 PolarHBondContact O-N 3.23Å; N249-I252 PolarHBondContact O-N 3.22Å; N249-S253 WeakPolarHBondContact O-CB 3.17Å; N249-S253 PolarHBondContact O-N 3.02Å
250H95.4Very high94.6Very high155 Ų15556.1 Ų56.172%0.71828%0.284SS*.Hα-helixtrans-58.8-32.3177.9-169.672.8000112.5E246 E247 V248 P254E246-H250 WeakPolarHBondContact O-CB 3.38Å; E246-H250 PolarHBondContact O-N 2.9Å; E247-H250 PolarHBondContact O-N 3.06Å; V248-H250 VanDerWaalsContact C-N 3.31Å; V248-H250 PolarHBondContact O-N 3.12Å; H250-P254 WeakPolarHBondContact O-CD 3.29Å
251V94.4Very high94.9Very high34 Ų3458.6 Ų58.621%0.20630%0.299CS..Hα-helixtrans-83.7-47.2178.2178.30000111.4V209 E247 V248 N249V209-V251 HydrophobicContact CG2-CG1 4.16Å; E247-V251 WeakPolarHBondContact O-CG2 3.24Å; E247-V251 PolarHBondContact O-N 3.28Å; V248-V251 PolarHBondContact O-N 3.31Å; V248-V251 VanDerWaalsContact O-N 3.08Å; N249-V251 PolarHBondContact O-N 3.23Å
252I95.6Very high95Very high3 Ų364.8 Ų64.82%0.01532%0.323CS..Hα-helixtrans-81-35-171.769.1174.8000113I62 Y208 L212 I234 V248 N249 L255 L256I62-I252 HydrophobicContact CD1-CD1 4.01Å; Y208-I252 HydrophobicContact CD1-CG2 3.77Å; Y208-I252 HydrophobicContact CE1-CG2 4.49Å; Y208-I252 HydrophobicContact CG-CG2 4.04Å; L212-I252 HydrophobicContact CD1-CB 4.04Å; L212-I252 HydrophobicContact CD1-CG2 4.02Å; I234-I252 HydrophobicContact CD1-CD1 3.77Å; V248-I252 HydrophobicContact CG1-CD1 4.07Å; V248-I252 HydrophobicContact CG1-CG1 4.43Å; V248-I252 HydrophobicContact CG1-CG2 4.12Å; V248-I252 WeakPolarHBondContact O-CG1 3.05Å; V248-I252 PolarHBondContact O-N 3.48Å; N249-I252 PolarHBondContact O-N 3.22Å; I252-L255 PolarHBondContact O-N 2.82Å; I252-L255 VanDerWaalsContact O-N 3.09Å; I252-L256 HydrophobicContact CB-CD1 4.3Å; I252-L256 HydrophobicContact CD1-CD1 4.14Å; I252-L256 HydrophobicContact CG1-CD1 4.12Å; I252-L256 VanDerWaalsContact O-CG 3.3Å; I252-L256 WeakPolarHBondContact O-CG 3.35Å; I252-L256 PolarHBondContact O-N 3.05Å
253S95.9Very high95.1Very high29 Ų2963.6 Ų63.620%0.20334%0.339CS..Hα-helixtrans-57.5-49-172.3-169.30000112.8N249 L255 L256 D257N249-S253 WeakPolarHBondContact O-CB 3.17Å; N249-S253 PolarHBondContact O-N 3.02Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.43Å; S253-L256 PolarHBondContact O-N 2.9Å; S253-D257 PolarHBondContact O-N 3.36Å
254P96.8Very high95.2Very high70 Ų7060.3 Ų60.346%0.45533%0.332SS..Hα-helixtrans-62.7-32.9179.1-21.634.2000113H250 I258H250-P254 WeakPolarHBondContact O-CD 3.29Å; P254-I258 WeakPolarHBondContact O-CD1 3.26Å; P254-I258 VanDerWaalsContact O-CG1 3.27Å; P254-I258 WeakPolarHBondContact O-CG1 3.45Å; P254-I258 PolarHBondContact O-N 3.43Å
255L96.3Very high95.3Very high27 Ų2762.2 Ų62.214%0.14136%0.356CS..Hα-helixtrans-75.3-38.2179.6-64174.3000111.7V209 L212 I252 S253 D257 I258 Y259V209-L255 HydrophobicContact CB-CD1 4.17Å; V209-L255 HydrophobicContact CG1-CD1 4.12Å; V209-L255 HydrophobicContact CG2-CD1 3.99Å; L212-L255 HydrophobicContact CD1-CB 3.78Å; L212-L255 HydrophobicContact CD1-CD1 3.81Å; L212-L255 HydrophobicContact CD1-CG 4.48Å; I252-L255 PolarHBondContact O-N 2.82Å; I252-L255 VanDerWaalsContact O-N 3.09Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.43Å; L255-D257 VanDerWaalsContact C-N 3.34Å; L255-I258 PolarHBondContact O-N 3.12Å; L255-Y259 HydrophobicContact CB-CD2 4.31Å; L255-Y259 HydrophobicContact CB-CE2 4.44Å; L255-Y259 HydrophobicContact CD2-CE2 4.13Å; L255-Y259 WeakPolarHBondContact O-CB 3.36Å; L255-Y259 WeakPolarHBondContact O-CD2 3.32Å; L255-Y259 PolarHBondContact O-N 3.16Å
256L96.6Very high95.5Very high2 Ų263.4 Ų63.41%0.0136%0.363CS..Hα-helixtrans-62.6-42.7174.1-68.5175.4000110.7I62 L212 L232 I252 S253 I258 F260 I268I62-L256 HydrophobicContact CD1-CD1 4.13Å; L212-L256 HydrophobicContact CD2-CD2 3.7Å; L232-L256 HydrophobicContact CD2-CD2 3.87Å; I252-L256 HydrophobicContact CB-CD1 4.3Å; I252-L256 HydrophobicContact CD1-CD1 4.14Å; I252-L256 HydrophobicContact CG1-CD1 4.12Å; I252-L256 VanDerWaalsContact O-CG 3.3Å; I252-L256 WeakPolarHBondContact O-CG 3.35Å; I252-L256 PolarHBondContact O-N 3.05Å; S253-L256 PolarHBondContact O-N 2.9Å; L256-I258 PolarHBondContact O-N 3.18Å; L256-F260 HydrophobicContact CD2-CD2 4.05Å; L256-F260 CarbonylContact O-C 3.55Å; L256-F260 VanDerWaalsContact O-CA 3.28Å; L256-F260 WeakPolarHBondContact O-CA 3.3Å; L256-F260 PolarHBondContact O-N 3.13Å; L256-I268 HydrophobicContact CB-CD1 4.27Å; L256-I268 HydrophobicContact CD1-CD1 4.06Å; L256-I268 HydrophobicContact CD2-CD1 3.91Å; L256-I268 HydrophobicContact CG-CD1 4.29Å
257D95.6Very high95.6Very high99 Ų9965.7 Ų65.753%0.52937%0.371SS..Hα-helixtrans-62.6-29.9177.3-67.2-22.1000112.9S253 L255 P261S253-D257 PolarHBondContact O-N 3.36Å; L255-D257 VanDerWaalsContact C-N 3.34Å; D257-P261 WeakPolarHBondContact O-CB 3.42Å
258I96.8Very high95.8Very high123 Ų12362 Ų6263%0.63135%0.354SS*.Hα-helixtrans-85-49.1179-66.1166.8000111.3P254 L255 L256P254-I258 WeakPolarHBondContact O-CD1 3.26Å; P254-I258 VanDerWaalsContact O-CG1 3.27Å; P254-I258 WeakPolarHBondContact O-CG1 3.45Å; P254-I258 PolarHBondContact O-N 3.43Å; L255-I258 PolarHBondContact O-N 3.12Å; L256-I258 PolarHBondContact O-N 3.18Å
259Y97.7Very high96.1Very high68 Ų6861.6 Ų61.627%0.26735%0.352SS..Hα-helixtrans-87.6-28.9-171.4-65.5-36.1000113.9L212 R216 L255L212-Y259 HydrophobicContact CB-CD2 4.35Å; R216-Y259 HydrophobicContact CB-CD1 4.27Å; R216-Y259 HydrophobicContact CB-CG 4.13Å; R216-Y259 WeakPolarHBondContact CD-O 3.42Å; R216-Y259 HydrophobicContact CG-CD1 3.82Å; R216-Y259 HydrophobicContact CG-CE1 4.41Å; R216-Y259 HydrophobicContact CG-CG 4.1Å; R216-Y259 PolarHBondContact NH1-O 2.92Å; L255-Y259 HydrophobicContact CB-CD2 4.31Å; L255-Y259 HydrophobicContact CB-CE2 4.44Å; L255-Y259 HydrophobicContact CD2-CE2 4.13Å; L255-Y259 WeakPolarHBondContact O-CB 3.36Å; L255-Y259 WeakPolarHBondContact O-CD2 3.32Å; L255-Y259 PolarHBondContact O-N 3.16Å
260F97Very high96.2Very high6 Ų660 Ų603%0.02634%0.344CS..SBendtrans-140.255-174.8-51.5-76.2000111.1L212 A215 R216 F219 L232 L256 V266L212-F260 HydrophobicContact CD2-CE2 4.36Å; A215-F260 HydrophobicContact CB-CZ 4.23Å; R216-F260 HydrophobicContact CB-CZ 4.19Å; F219-F260 HydrophobicContact CB-CE1 4.49Å; F219-F260 HydrophobicContact CD1-CD1 4.38Å; F219-F260 AromaticContact CD1-CE1 3.83Å; F219-F260 HydrophobicContact CD1-CE1 3.83Å; F219-F260 AromaticContact CD2-CE1 3.85Å; F219-F260 HydrophobicContact CD2-CE1 3.85Å; F219-F260 HydrophobicContact CD2-CZ 4.3Å; F219-F260 HydrophobicContact CE1-CD1 4.18Å; F219-F260 AromaticContact CE1-CE1 3.87Å; F219-F260 HydrophobicContact CE1-CE1 3.87Å; F219-F260 AromaticContact CE2-CE1 3.88Å; F219-F260 HydrophobicContact CE2-CE1 3.88Å; F219-F260 HydrophobicContact CE2-CZ 4.36Å; F219-F260 AromaticContact CG-CE1 3.81Å; F219-F260 HydrophobicContact CG-CE1 3.81Å; F219-F260 HydrophobicContact CZ-CD1 4.37Å; F219-F260 AromaticContact CZ-CE1 3.88Å; F219-F260 HydrophobicContact CZ-CE1 3.88Å; L232-F260 HydrophobicContact CD1-CZ 4.46Å; L232-F260 HydrophobicContact CD2-CD2 3.58Å; L232-F260 HydrophobicContact CD2-CE2 3.55Å; L232-F260 HydrophobicContact CD2-CG 4.1Å; L232-F260 HydrophobicContact CD2-CZ 4.04Å; L256-F260 HydrophobicContact CD2-CD2 4.05Å; L256-F260 CarbonylContact O-C 3.55Å; L256-F260 VanDerWaalsContact O-CA 3.28Å; L256-F260 WeakPolarHBondContact O-CA 3.3Å; L256-F260 PolarHBondContact O-N 3.13Å; F260-V266 HydrophobicContact CB-CG1 4.48Å; F260-V266 HydrophobicContact CD1-CG1 4.16Å; F260-V266 HydrophobicContact CD1-CG2 4.31Å
261P95.8Very high96.4Very high57 Ų5753 Ų5337%0.3731%0.311SS..  trans-59.2153.7-172.722.1-32.9000112.8D257 G263 S264D257-P261 WeakPolarHBondContact O-CB 3.42Å; P261-G263 PolarHBondContact O-N 2.91Å; P261-S264 WeakPolarHBondContact O-CB 3.37Å; P261-S264 PolarHBondContact O-N 2.81Å; P261-S264 PolarHBondContact O-OG 3.2Å
262E92.2Very high96.5Very high202 Ų20251.4 Ų51.494%0.94430%0.301SS*.THydrogen-bonded Turntrans-55.8135170.2-166.1174.6-172.200110.4
263G93.1Very high96.5Very high80 Ų8051.4 Ų51.483%0.82530%0.302SS*.THydrogen-bonded Turntrans88.6-9.2-172.900000115.3P261 G265P261-G263 PolarHBondContact O-N 2.91Å; G263-G265 PolarHBondContact O-N 3.31Å
264S94.4Very high96.4Very high59 Ų5952.1 Ų52.141%0.41331%0.307SS..SBendtrans-66.1-15.2170.564.20000113.7P261 V266P261-S264 WeakPolarHBondContact O-CB 3.37Å; P261-S264 PolarHBondContact O-N 2.81Å; P261-S264 PolarHBondContact O-OG 3.2Å; S264-V266 VanDerWaalsContact C-N 3.3Å; S264-V266 PolarHBondContact OG-N 3.11Å
265G95.8Very high96.4Very high55 Ų5548.8 Ų48.857%0.56729%0.285SS*.  trans82.53.3-175.500000114.1G263G263-G265 PolarHBondContact O-N 3.31Å
266V98.1Very high96.5Very high26 Ų2647.5 Ų47.516%0.15828%0.279CS..PPolyproline II helixtrans-82.3125.2175-176.80000110.1F219 L232 F260 S264F219-V266 HydrophobicContact CE1-CG1 4.02Å; F219-V266 HydrophobicContact CE1-CG2 3.81Å; F219-V266 HydrophobicContact CZ-CG1 4.09Å; L232-V266 HydrophobicContact CB-CG1 4.11Å; F260-V266 HydrophobicContact CB-CG1 4.48Å; F260-V266 HydrophobicContact CD1-CG1 4.16Å; F260-V266 HydrophobicContact CD1-CG2 4.31Å; S264-V266 VanDerWaalsContact C-N 3.3Å; S264-V266 PolarHBondContact OG-N 3.11Å
267K98.1Very high96.6Very high146 Ų14647.4 Ų47.464%0.63528%0.278SS*.EExtended strand (participates in β ladder)trans-91.4123.2171.9-63.9178.8-178.6-177.40109.1N230 M231 L232N230-K267 PolarHBondContact O-N 3.1Å; M231-K267 VanDerWaalsContact CA-O 3.32Å; M231-K267 WeakPolarHBondContact CA-O 3.46Å; L232-K267 PolarHBondContact N-O 3.31Å
268I98.4Very high96.6Very high16 Ų1643.9 Ų43.98%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-94.5129.3177.2-50.4170000107.9I62 K63 L232 I234 L256I62-I268 WeakPolarHBondContact CA-O 3.12Å; I62-I268 HydrophobicContact CB-CG2 4.47Å; I62-I268 HydrophobicContact CD1-CG2 4.22Å; I62-I268 HydrophobicContact CG1-CB 4.33Å; I62-I268 HydrophobicContact CG1-CG2 3.92Å; I62-I268 HydrophobicContact CG2-CG2 4.09Å; K63-I268 PolarHBondContact N-O 3.22Å; L232-I268 CarbonylContact O-C 3.53Å; L232-I268 WeakPolarHBondContact O-CA 3.27Å; I234-I268 HydrophobicContact CG2-CG2 4.16Å; L256-I268 HydrophobicContact CB-CD1 4.27Å; L256-I268 HydrophobicContact CD1-CD1 4.06Å; L256-I268 HydrophobicContact CD2-CD1 3.91Å; L256-I268 HydrophobicContact CG-CD1 4.29Å
269I98.7Very high96.5Very high4 Ų439.2 Ų39.22%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-127.5165.9178.269.8168.7000109.9K63 F65 I109 L152 M231 L232 D233 I234K63-I269 HydrophobicContact CB-CG2 4.35Å; K63-I269 VanDerWaalsContact O-CA 3.25Å; K63-I269 WeakPolarHBondContact O-CA 3.38Å; F65-I269 HydrophobicContact CD2-CB 3.97Å; F65-I269 HydrophobicContact CD2-CD1 4.3Å; F65-I269 HydrophobicContact CD2-CG2 4.15Å; F65-I269 HydrophobicContact CE2-CB 4.06Å; F65-I269 HydrophobicContact CE2-CD1 4.38Å; F65-I269 HydrophobicContact CE2-CG2 3.69Å; I109-I269 HydrophobicContact CD1-CD1 3.11Å; L152-I269 HydrophobicContact CD1-CD1 4.48Å; M231-I269 HydrophobicContact CG-CD1 4.19Å; M231-I269 HydrophobicContact CG-CG1 4.38Å; M231-I269 HydrophobicContact SD-CD1 3.91Å; L232-I269 PolarHBondContact O-N 2.97Å; D233-I269 WeakPolarHBondContact CA-O 3.48Å; D233-I269 HydrophobicContact CB-CD1 3.89Å; D233-I269 HydrophobicContact CB-CG1 3.6Å; I234-I269 WeakPolarHBondContact CG1-O 3.19Å; I234-I269 PolarHBondContact N-O 3.45Å
270S98.3Very high96.5Very high0 Ų036.2 Ų36.20%023%0.228CC..EExtended strand (participates in β ladder)trans-143.7166.8175.158.50000109.7W55 K63 F65 G235 P272W55-S270 WeakPolarHBondContact CH2-OG 3.23Å; W55-S270 WeakPolarHBondContact CZ2-OG 3.36Å; K63-S270 PolarHBondContact O-N 3.4Å; K63-S270 VanDerWaalsContact O-N 3.07Å; F65-S270 WeakPolarHBondContact CA-O 3.48Å; F65-S270 WeakPolarHBondContact CB-O 3.3Å; F65-S270 PolarHBondContact N-O 3.39Å; G235-S270 WeakPolarHBondContact O-CA 3.45Å; G235-S270 WeakPolarHBondContact O-CB 3.33Å; S270-P272 WeakPolarHBondContact O-CD 3.14Å; S270-P272 WeakPolarHBondContact OG-CD 3.31Å
271E98Very high96.5Very high8 Ų836 Ų364%0.03723%0.227CC..  trans-120.547.5-177.3-61.7-179.3164.900114.3F65 T67 A88 I111 K195 G235 G236 G273F65-E271 CarbonylContact O-C 3.46Å; F65-E271 WeakPolarHBondContact O-CA 2.8Å; T67-E271 PolarHBondContact OG1-O 2.93Å; A88-E271 HydrophobicContact CB-CB 4.42Å; A88-E271 HydrophobicContact CB-CG 4.11Å; I111-E271 WeakPolarHBondContact CG2-OE1 3.42Å; K195-E271 WeakPolarHBondContact CE-OE2 3.39Å; K195-E271 IonicContact NZ-OE1 3.68Å; K195-E271 PolarHBondContact NZ-OE1 3.01Å; K195-E271 IonicContact NZ-OE2 2.79Å; K195-E271 PolarHBondContact NZ-OE2 2.77Å; G235-E271 PolarHBondContact O-N 3.13Å; G236-E271 VanDerWaalsContact CA-O 3.3Å; G236-E271 WeakPolarHBondContact CA-O 3.42Å; E271-G273 PolarHBondContact O-N 3.3Å
272P97.5Very high96.6Very high0 Ų033.6 Ų33.60%021%0.212CC..  trans-60.7125.5-178.327-36000111.4W55 P64 Y66 T67 F238 S270 Y275 Y276W55-P272 HydrophobicContact CH2-CG 4.42Å; W55-P272 HydrophobicContact CZ3-CB 4.3Å; W55-P272 HydrophobicContact CZ3-CG 4.26Å; P64-P272 HydrophobicContact CB-CG 3.7Å; Y66-P272 WeakPolarHBondContact CA-O 3.5Å; Y66-P272 WeakPolarHBondContact CD2-O 3.42Å; T67-P272 PolarHBondContact N-O 2.79Å; F238-P272 HydrophobicContact CD2-CB 4.28Å; S270-P272 WeakPolarHBondContact O-CD 3.14Å; S270-P272 WeakPolarHBondContact OG-CD 3.31Å; P272-Y275 HydrophobicContact CB-CD1 4.19Å; P272-Y275 HydrophobicContact CB-CG 4.25Å; P272-Y276 HydrophobicContact CB-CD2 4.1Å; P272-Y276 HydrophobicContact CB-CE2 4.03Å; P272-Y276 HydrophobicContact CG-CD2 4.13Å; P272-Y276 HydrophobicContact CG-CE2 3.62Å
273G95.9Very high96.9Very high3 Ų324 Ų243%0.03117%0.167CC..SBendtrans-111.5-85.4172.900000110.6E271 Y275 Y276E271-G273 PolarHBondContact O-N 3.3Å; G273-Y275 PolarHBondContact O-N 3.34Å; G273-Y276 PolarHBondContact O-N 3.14Å
274S93.7Very high97.2Very high43 Ų4320.2 Ų20.230%0.30113%0.128SC..Hα-helixtrans-46.5-38.1178.2-1770000113.7Y276 V277 S278S274-Y276 PolarHBondContact O-N 3.43Å; S274-Y276 VanDerWaalsContact O-N 3.11Å; S274-V277 PolarHBondContact O-N 2.9Å; S274-V277 VanDerWaalsContact O-N 3.11Å; S274-S278 WeakPolarHBondContact O-CB 3.39Å; S274-S278 PolarHBondContact O-N 3.09Å; S274-S278 VanDerWaalsContact OG-CB 3.29Å; S274-S278 WeakPolarHBondContact OG-CB 3.37Å
275Y97.2Very high97.3Very high1 Ų117.4 Ų17.40%0.00411%0.109CC..Hα-helixtrans-42.7-45.9173.6175.8-94.4000114.8K51 Q54 W55 F238 L245 P272 G273K51-Y275 HydrophobicContact CB-CD1 4.36Å; K51-Y275 HydrophobicContact CB-CE1 3.75Å; K51-Y275 HydrophobicContact CD-CE1 4.23Å; K51-Y275 HydrophobicContact CD-CE2 4.32Å; K51-Y275 HydrophobicContact CG-CE1 4.47Å; K51-Y275 WeakPolarHBondContact O-CE1 3.4Å; K51-Y275 PolarHBondContact O-OH 2.9Å; Q54-Y275 PolarHBondContact NE2-OH 3.03Å; Q54-Y275 VanDerWaalsContact NE2-OH 3.07Å; W55-Y275 HydrophobicContact CB-CE1 4.29Å; W55-Y275 HydrophobicContact CE3-CD1 4.35Å; W55-Y275 AromaticContact CE3-CE1 3.95Å; W55-Y275 HydrophobicContact CE3-CE1 3.95Å; W55-Y275 PolarHBondContact N-OH 3.42Å; F238-Y275 HydrophobicContact CB-CD2 3.76Å; F238-Y275 HydrophobicContact CB-CG 4.13Å; F238-Y275 PolarHBondContact O-N 3.28Å; L245-Y275 HydrophobicContact CD2-CE2 4.08Å; P272-Y275 HydrophobicContact CB-CD1 4.19Å; P272-Y275 HydrophobicContact CB-CG 4.25Å; G273-Y275 PolarHBondContact O-N 3.34Å
276Y98.4Very high97.4Very high0 Ų015.1 Ų15.10%08%0.083CC..Hα-helixtrans-79.7-38-176.5-83.9-73.4000112.6I48 K51 H52 P64 Y66 L80 P272 G273 S274I48-Y276 HydrophobicContact CG2-CD1 4.02Å; K51-Y276 HydrophobicContact CB-CD1 3.85Å; K51-Y276 HydrophobicContact CB-CE1 4.18Å; H52-Y276 HydrophobicContact CB-CE1 3.92Å; H52-Y276 AromaticContact ND1-CZ 3.92Å; H52-Y276 PolarHBondContact ND1-OH 2.98Å; P64-Y276 HydrophobicContact CB-CE2 4.25Å; P64-Y276 WeakPolarHBondContact CG-OH 3.3Å; Y66-Y276 AromaticContact CD2-CD2 3.96Å; Y66-Y276 HydrophobicContact CD2-CD2 3.96Å; Y66-Y276 HydrophobicContact CD2-CG 4.43Å; L80-Y276 HydrophobicContact CD2-CD1 3.73Å; L80-Y276 HydrophobicContact CD2-CE1 3.85Å; L80-Y276 HydrophobicContact CD2-CG 4.09Å; P272-Y276 HydrophobicContact CB-CD2 4.1Å; P272-Y276 HydrophobicContact CB-CE2 4.03Å; P272-Y276 HydrophobicContact CG-CD2 4.13Å; P272-Y276 HydrophobicContact CG-CE2 3.62Å; G273-Y276 PolarHBondContact O-N 3.14Å; S274-Y276 PolarHBondContact O-N 3.43Å; S274-Y276 VanDerWaalsContact O-N 3.11Å
277V97.8Very high97.4Very high0 Ų013.9 Ų13.90%08%0.076CC..Hα-helixtrans-115-28.9-160.3-64.30000114.6I48 Y66 C70 N71 V76 S274 S279 A280 F281 G385 A386I48-V277 HydrophobicContact CD1-CG1 4.47Å; Y66-V277 HydrophobicContact CE2-CG1 4.02Å; Y66-V277 HydrophobicContact CE2-CG2 4.46Å; Y66-V277 WeakPolarHBondContact OH-CG1 3.24Å; C70-V277 HydrophobicContact CB-CG2 4.4Å; N71-V277 HydrophobicContact CB-CB 4.3Å; N71-V277 HydrophobicContact CB-CG1 4.22Å; N71-V277 HydrophobicContact CB-CG2 4.03Å; V76-V277 HydrophobicContact CG1-CG1 3.73Å; S274-V277 PolarHBondContact O-N 2.9Å; S274-V277 VanDerWaalsContact O-N 3.11Å; V277-S279 PolarHBondContact O-N 3.35Å; V277-A280 WeakPolarHBondContact O-CB 3.23Å; V277-A280 PolarHBondContact O-N 2.8Å; V277-F281 HydrophobicContact CB-CE2 4.37Å; V277-F281 WeakPolarHBondContact O-CD2 3.48Å; V277-G385 VanDerWaalsContact CG2-O 3.29Å; V277-G385 WeakPolarHBondContact CG2-O 3.19Å; V277-G385 WeakPolarHBondContact O-CA 3.49Å; V277-A386 HydrophobicContact CG2-CB 4.23Å
278S94.8Very high97.3Very high24 Ų2410.8 Ų10.817%0.1687%0.065CC..G310 helixtrans-51-59.5-170.6165.70000111.6S274 A280 N383 M384 G385S274-S278 WeakPolarHBondContact O-CB 3.39Å; S274-S278 PolarHBondContact O-N 3.09Å; S274-S278 VanDerWaalsContact OG-CB 3.29Å; S274-S278 WeakPolarHBondContact OG-CB 3.37Å; S278-A280 PolarHBondContact O-N 3.45Å; S278-N383 CarbonylContact O-C 3.55Å; S278-N383 WeakPolarHBondContact O-CA 3.45Å; S278-N383 PolarHBondContact OG-O 3.46Å; S278-M384 PolarHBondContact O-N 2.92Å; S278-G385 PolarHBondContact O-N 2.9Å
279S95.8Very high97.3Very high26 Ų2611.9 Ų11.918%0.1828%0.077CC..G310 helixtrans-78-1.6-179.670.50000115.3K47 V277 N383K47-S279 WeakPolarHBondContact CD-O 3.31Å; K47-S279 WeakPolarHBondContact CE-O 2.97Å; K47-S279 WeakPolarHBondContact CE-OG 3.41Å; K47-S279 PolarHBondContact NZ-O 3.46Å; K47-S279 PolarHBondContact NZ-OG 3.47Å; V277-S279 PolarHBondContact O-N 3.35Å; S279-N383 VanDerWaalsContact CA-OD1 3.25Å; S279-N383 WeakPolarHBondContact CA-OD1 3.12Å; S279-N383 WeakPolarHBondContact CB-OD1 3.33Å
280A97.6Very high97.2Very high4 Ų414.1 Ų14.13%0.0339%0.086CC..G310 helixtrans-85.8-11.1-17900000113G43 D44 K47 I48 V277 S278G43-A280 CarbonylContact C-O 3.59Å; G43-A280 WeakPolarHBondContact CA-O 3.41Å; D44-A280 PolarHBondContact N-O 3.49Å; K47-A280 HydrophobicContact CB-CB 4.36Å; I48-A280 HydrophobicContact CD1-CB 4.43Å; I48-A280 HydrophobicContact CG1-CB 3.84Å; V277-A280 WeakPolarHBondContact O-CB 3.23Å; V277-A280 PolarHBondContact O-N 2.8Å; S278-A280 PolarHBondContact O-N 3.45Å
281F97.8Very high96.9Very high1 Ų119.2 Ų19.20%0.00411%0.109CC..EExtended strand (participates in β ladder)trans-125.7138.9-179.6-65.7-97.3000111.9F41 V42 G43 I48 V76 V277 N383 M384 F389 I403 Y405F41-F281 HydrophobicContact CD1-CB 4.14Å; F41-F281 HydrophobicContact CD1-CD1 4.49Å; V42-F281 WeakPolarHBondContact O-CA 3.4Å; G43-F281 VanDerWaalsContact CA-CD1 3.43Å; I48-F281 HydrophobicContact CD1-CE2 4.49Å; V76-F281 HydrophobicContact CG2-CE2 4.04Å; V76-F281 HydrophobicContact CG2-CZ 3.66Å; V277-F281 HydrophobicContact CB-CE2 4.37Å; V277-F281 WeakPolarHBondContact O-CD2 3.48Å; F281-N383 PolarHBondContact O-N 2.95Å; F281-M384 PolarHBondContact O-N 3.12Å; F281-F389 HydrophobicContact CB-CE2 4.48Å; F281-F389 HydrophobicContact CD1-CE1 4.42Å; F281-F389 AromaticContact CD1-CE2 3.98Å; F281-F389 HydrophobicContact CD1-CE2 3.98Å; F281-F389 AromaticContact CD1-CZ 3.43Å; F281-F389 HydrophobicContact CD1-CZ 3.43Å; F281-F389 VanDerWaalsContact CD1-CZ 3.43Å; F281-F389 HydrophobicContact CD2-CE2 4.48Å; F281-F389 HydrophobicContact CE1-CE1 4.17Å; F281-F389 HydrophobicContact CE1-CE2 4.31Å; F281-F389 AromaticContact CE1-CZ 3.57Å; F281-F389 HydrophobicContact CE1-CZ 3.57Å; F281-F389 HydrophobicContact CG-CE2 4.07Å; F281-F389 HydrophobicContact CG-CZ 4Å; F281-F389 HydrophobicContact CZ-CZ 4.26Å; F281-I403 HydrophobicContact CE1-CG2 4.34Å; F281-Y405 HydrophobicContact CE1-CE1 4Å; F281-Y405 HydrophobicContact CZ-CE1 4.25Å
282T97.9Very high96.7Very high7 Ų723.4 Ų23.44%0.04314%0.135CC..EExtended strand (participates in β ladder)trans-119.3135.6171.7-62.60000108.5I25 F41 V42 I380 F381 D382I25-T282 HydrophobicContact CD1-CG2 3.68Å; F41-T282 WeakPolarHBondContact CA-O 3.31Å; V42-T282 PolarHBondContact N-O 3.32Å; V42-T282 PolarHBondContact O-N 3.39Å; T282-I380 HydrophobicContact CG2-CG2 3.34Å; T282-F381 WeakPolarHBondContact CA-O 3.3Å; T282-D382 WeakPolarHBondContact CG2-OD1 3.17Å; T282-D382 PolarHBondContact OG1-OD1 2.92Å
283L98.1Very high96.2Very high0 Ų024.8 Ų24.80%014%0.143CC..EExtended strand (participates in β ladder)trans-106129.8179.4176.663.9000110A39 F41 V285 F324 I380 F381 M384 P401A39-L283 HydrophobicContact CB-CD1 4.48Å; F41-L283 HydrophobicContact CD1-CB 3.98Å; F41-L283 HydrophobicContact CD1-CD1 4.17Å; F41-L283 HydrophobicContact CD2-CD1 4.05Å; F41-L283 HydrophobicContact CE1-CB 3.66Å; F41-L283 HydrophobicContact CE1-CD1 3.99Å; F41-L283 HydrophobicContact CE1-CG 4.24Å; F41-L283 HydrophobicContact CE2-CD1 3.83Å; F41-L283 HydrophobicContact CG-CD1 4.21Å; F41-L283 HydrophobicContact CZ-CB 4.2Å; F41-L283 HydrophobicContact CZ-CD1 3.81Å; F41-L283 HydrophobicContact CZ-CD2 4.26Å; F41-L283 HydrophobicContact CZ-CG 4.3Å; L283-V285 HydrophobicContact CD1-CG1 4.17Å; L283-V285 HydrophobicContact CD2-CG1 3.76Å; L283-V285 HydrophobicContact CG-CG1 3.72Å; L283-F324 HydrophobicContact CD2-CE2 3.68Å; L283-F324 HydrophobicContact CD2-CZ 3.69Å; L283-I380 CarbonylContact O-C 3.48Å; L283-I380 WeakPolarHBondContact O-CA 3.34Å; L283-F381 HydrophobicContact CB-CB 4.37Å; L283-F381 PolarHBondContact N-O 2.86Å; L283-F381 PolarHBondContact O-N 3.47Å; L283-M384 HydrophobicContact CB-CB 3.91Å; L283-M384 HydrophobicContact CB-CG 3.94Å; L283-M384 HydrophobicContact CD2-CE 3.87Å; L283-P401 HydrophobicContact CD1-CB 4.32Å; L283-P401 HydrophobicContact CD1-CG 4.26Å
284A97.9Very high95.4Very high2 Ų231.5 Ų31.52%0.01717%0.174CC..EExtended strand (participates in β ladder)trans-106.6125.516900000109.8A39 F40 W378 L379 I380A39-A284 VanDerWaalsContact CA-O 3.23Å; A39-A284 WeakPolarHBondContact CA-O 3.44Å; A39-A284 WeakPolarHBondContact CB-O 3.43Å; F40-A284 HydrophobicContact CD1-CB 4.08Å; F40-A284 HydrophobicContact CD2-CB 4.21Å; F40-A284 HydrophobicContact CE1-CB 3.62Å; F40-A284 HydrophobicContact CE2-CB 3.76Å; F40-A284 HydrophobicContact CG-CB 4.35Å; F40-A284 HydrophobicContact CZ-CB 3.45Å; F40-A284 VanDerWaalsContact CZ-CB 3.45Å; F40-A284 PolarHBondContact N-O 3.27Å; F40-A284 PolarHBondContact O-N 3.47Å; A284-W378 HydrophobicContact CB-CE3 4.08Å; A284-W378 HydrophobicContact CB-CZ3 4.25Å; A284-L379 WeakPolarHBondContact CA-O 3.2Å; A284-I380 HydrophobicContact CB-CD1 3.66Å
285V97.7Very high94.1Very high0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-123.9155.8178.6-56.40000111.3A39 L283 M316 D318 F324 W378 L379 F381A39-V285 HydrophobicContact CB-CG1 4.18Å; L283-V285 HydrophobicContact CD1-CG1 4.17Å; L283-V285 HydrophobicContact CD2-CG1 3.76Å; L283-V285 HydrophobicContact CG-CG1 3.72Å; V285-M316 HydrophobicContact CG2-CB 4.31Å; V285-M316 HydrophobicContact CG2-CG 4.21Å; V285-M316 HydrophobicContact CG2-SD 3.5Å; V285-M316 WeakPolarHBondContact CG2-SD 3.37Å; V285-D318 HydrophobicContact CG1-CB 4.02Å; V285-F324 HydrophobicContact CG1-CE2 4.31Å; V285-W378 WeakPolarHBondContact O-CA 3.5Å; V285-L379 HydrophobicContact CG2-CB 3.97Å; V285-L379 PolarHBondContact N-O 3.44Å; V285-L379 PolarHBondContact O-N 2.91Å; V285-F381 HydrophobicContact CG2-CD2 3.96Å; V285-F381 HydrophobicContact CG2-CE2 3.49Å; V285-F381 VanDerWaalsContact CG2-CE2 3.49Å
286N97.9Very high92.4Very high6 Ų636.3 Ų36.33%0.03220%0.196CC..EExtended strand (participates in β ladder)trans-110.9140.6-178.2-163.9-106.5000111.5K37 I288 M316 N317 G376 D377 W378K37-N286 HydrophobicContact CB-CB 4.49Å; N286-I288 PolarHBondContact O-N 3.4Å; N286-M316 WeakPolarHBondContact O-CA 3.46Å; N286-N317 PolarHBondContact N-OD1 2.93Å; N286-N317 PolarHBondContact O-N 3.36Å; N286-N317 VanDerWaalsContact O-N 3.09Å; N286-N317 PolarHBondContact O-OD1 3.41Å; N286-G376 VanDerWaalsContact ND2-C 3.27Å; N286-G376 PolarHBondContact ND2-O 3.41Å; N286-G376 WeakPolarHBondContact OD1-CA 2.95Å; N286-D377 PolarHBondContact ND2-O 3.28Å; N286-D377 VanDerWaalsContact ND2-O 3.12Å; N286-W378 HydrophobicContact CB-CD2 4.33Å; N286-W378 HydrophobicContact CB-CE3 4.2Å; N286-W378 HydrophobicContact CB-CH2 4.36Å; N286-W378 HydrophobicContact CB-CZ2 4.48Å; N286-W378 HydrophobicContact CB-CZ3 4.21Å; N286-W378 PolarHBondContact ND2-NE1 2.74Å
287I97.4Very high90.5Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-76.6117.4172.9-61.2177.5000109.3A289 Y314 L373 V375 G376 D377 L379I287-A289 WeakPolarHBondContact CG2-O 3.32Å; I287-Y314 HydrophobicContact CD1-CD1 4.04Å; I287-Y314 HydrophobicContact CD1-CG 4.15Å; I287-Y314 HydrophobicContact CG2-CD1 4.13Å; I287-L373 HydrophobicContact CD1-CB 3.62Å; I287-L373 HydrophobicContact CD1-CD1 3.55Å; I287-L373 HydrophobicContact CD1-CG 4.21Å; I287-V375 CarbonylContact O-C 3.59Å; I287-V375 WeakPolarHBondContact O-CA 3.22Å; I287-G376 PolarHBondContact O-N 3.23Å; I287-D377 HydrophobicContact CD1-CB 4.34Å; I287-D377 PolarHBondContact N-O 3.26Å; I287-L379 HydrophobicContact CD1-CD1 4.36Å; I287-L379 HydrophobicContact CD1-CG 4.49Å; I287-L379 HydrophobicContact CG1-CD1 4.39Å
288I97.1Very high88.7Confident81 Ų8145 Ų4542%0.41523%0.234SC..EExtended strand (participates in β ladder)trans-101.4-23.5-178.958.3169.5000113.4N286 Y315 M316 N317 P356N286-I288 PolarHBondContact O-N 3.4Å; I288-Y315 VanDerWaalsContact CG1-O 3.25Å; I288-Y315 WeakPolarHBondContact CG1-O 3.2Å; I288-Y315 PolarHBondContact N-O 3.37Å; I288-M316 WeakPolarHBondContact CD1-O 3.32Å; I288-N317 HydrophobicContact CG2-CB 3.76Å; I288-P356 HydrophobicContact CD1-CB 4.05Å
289A97.1Very high87Confident40 Ų4047.3 Ų47.333%0.33125%0.248SC..EExtended strand (participates in β ladder)trans-149156.1172.700000112I287 Y315I287-A289 WeakPolarHBondContact CG2-O 3.32Å; A289-Y315 HydrophobicContact CB-CD2 4.03Å; A289-Y315 HydrophobicContact CB-CG 4.32Å; A289-Y315 PolarHBondContact N-O 2.86Å; A289-Y315 PolarHBondContact O-N 2.84Å
290K96.4Very high84.7Confident50 Ų5052 Ų5222%0.21728%0.281CS..EExtended strand (participates in β ladder)trans-135.6139179.1175.5-176.4-177.9174.90109.6F312 M313 Y314 E372 L373 V375K290-F312 VanDerWaalsContact CE-CD1 3.41Å; K290-F312 VanDerWaalsContact CE-CE1 3.46Å; K290-M313 CarbonylContact C-O 3.52Å; K290-M313 WeakPolarHBondContact CA-O 3.44Å; K290-Y314 HydrophobicContact CB-CD1 4.16Å; K290-Y314 HydrophobicContact CB-CE1 4.35Å; K290-Y314 HydrophobicContact CD-CD1 4.45Å; K290-Y314 HydrophobicContact CD-CE1 3.82Å; K290-Y314 HydrophobicContact CG-CD1 3.97Å; K290-Y314 HydrophobicContact CG-CE1 3.74Å; K290-E372 IonicContact NZ-OE1 2.65Å; K290-E372 PolarHBondContact NZ-OE1 2.84Å; K290-L373 WeakPolarHBondContact CD-O 3.36Å; K290-L373 WeakPolarHBondContact CE-O 3.32Å; K290-L373 PolarHBondContact NZ-O 3.41Å; K290-V375 HydrophobicContact CB-CG2 4.36Å
291K93.8Very high82.5Confident107 Ų10755.8 Ų55.847%0.46532%0.32SS..EExtended strand (participates in β ladder)trans-128.3141.1168.9-62.8178-173.8163.90110.1F312 M313 Y315K291-F312 WeakPolarHBondContact O-CA 3.38Å; K291-M313 HydrophobicContact CB-CB 4.27Å; K291-M313 PolarHBondContact N-O 3.05Å; K291-M313 PolarHBondContact O-N 3.46Å; K291-Y315 HydrophobicContact CD-CE2 3.75Å; K291-Y315 HydrophobicContact CG-CE2 3.98Å; K291-Y315 PolarHBondContact NZ-OH 3Å
292V93.4Very high80.6Confident96 Ų9658.7 Ų58.758%0.58234%0.338SS*.EExtended strand (participates in β ladder)trans-96.3129.2170.9-169.90000107.7P310 F312V292-P310 HydrophobicContact CG1-CB 3.96Å; V292-F312 HydrophobicContact CB-CE1 4.48Å; V292-F312 HydrophobicContact CG1-CE1 4.22Å; V292-F312 HydrophobicContact CG2-CD1 4.05Å; V292-F312 HydrophobicContact CG2-CE1 3.8Å
293V87.1Confident78.6Confident30 Ų3065.4 Ų65.418%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-130.8154.8179.5-64.70000110.5F298 A311 M313V293-F298 HydrophobicContact CG2-CE2 3.7Å; V293-A311 HydrophobicContact CG2-CB 4.05Å; V293-A311 WeakPolarHBondContact CG2-O 3.48Å; V293-A311 PolarHBondContact N-O 2.84Å; V293-A311 PolarHBondContact O-N 2.73Å; V293-A311 VanDerWaalsContact O-O 3.13Å; V293-M313 HydrophobicContact CG1-CG 4.13Å; V293-M313 HydrophobicContact CG1-SD 3.7Å; V293-M313 HydrophobicContact CG2-CG 4.03Å; V293-M313 HydrophobicContact CG2-SD 4.45Å
294E77.7Confident76.9Confident144 Ų14469.2 Ų69.267%0.67339%0.385SS*.EExtended strand (participates in β ladder)trans-71139.7171.7-66.6171.4175.100109.9D296 K297E294-D296 PolarHBondContact O-N 2.9Å; E294-D296 VanDerWaalsContact O-N 3.14Å; E294-K297 PolarHBondContact O-N 3.28Å
295N66.5Low75.1Confident7 Ų770.4 Ų70.44%0.03739%0.392CS..G310 helixtrans-62.3-23-172.3-157.5-4.8000113.4K297 F298 T305 G306N295-K297 PolarHBondContact O-N 2.94Å; N295-K297 VanDerWaalsContact O-N 3.08Å; N295-F298 PolarHBondContact O-N 2.76Å; N295-T305 PolarHBondContact ND2-O 2.99Å; N295-T305 VanDerWaalsContact ND2-O 3.15Å; N295-G306 PolarHBondContact ND2-O 3.08Å
296D62Low73.5Confident138 Ų13872.3 Ų72.374%0.73841%0.412SS*.G310 helixtrans-64-12.3179.3-73.2-12.3000114.7E294E294-D296 PolarHBondContact O-N 2.9Å; E294-D296 VanDerWaalsContact O-N 3.14Å
297K59.7Low71.8Confident164 Ų16476.2 Ų76.271%0.71344%0.44SS*.G310 helixtrans-89.6-9179.4-67-173.2-179.5177.70114.7E294 N295E294-K297 PolarHBondContact O-N 3.28Å; N295-K297 PolarHBondContact O-N 2.94Å; N295-K297 VanDerWaalsContact O-N 3.08Å
298F59.8Low70.3Confident18 Ų1883.7 Ų83.78%0.07948%0.48CS..SBendtrans-83.5144.7176.7-81.5-97.3000111.7V293 N295 K304 A311 T350V293-F298 HydrophobicContact CG2-CE2 3.7Å; N295-F298 PolarHBondContact O-N 2.76Å; F298-K304 PolarHBondContact O-NZ 3.46Å; F298-A311 HydrophobicContact CD2-CB 3.85Å; F298-A311 HydrophobicContact CE2-CB 3.39Å; F298-A311 HydrophobicContact CZ-CB 4.24Å; F298-T350 HydrophobicContact CD1-CG2 4.2Å; F298-T350 HydrophobicContact CE1-CG2 4.36Å; F298-T350 HydrophobicContact CG-CG2 4.29Å
299P59.3Low69.3Low73 Ų7383.9 Ų83.947%0.47448%0.479SS..PPolyproline II helixtrans-52.4142.1179.9-2432.7000112.9G301 K304P299-G301 PolarHBondContact O-N 3.07Å; P299-K304 WeakPolarHBondContact O-CE 3.22Å; P299-K304 PolarHBondContact O-NZ 2.95Å
300S47.1Very low68.7Low125 Ų12584.4 Ų84.487%0.87448%0.479SS*.THydrogen-bonded Turntrans-73.4116.1175.3-58.90000109.8
301G51.3Low68.4Low82 Ų8282 Ų8285%0.84547%0.469SS*.THydrogen-bonded Turntrans136.1-4.5175.700000116.5P299P299-G301 PolarHBondContact O-N 3.07Å
302V57.2Low68.4Low62 Ų6277.1 Ų77.138%0.37645%0.448SS..SBendtrans-101.7160.9179.1-162.70000111.3K304 S367V302-K304 PolarHBondContact O-N 2.9Å; V302-S367 WeakPolarHBondContact CG1-OG 3.24Å
303E57.1Low68.4Low149 Ų14974.2 Ų74.270%0.69643%0.428SS*.  trans-56.1107.6170.8-74.4-172.3164.500109.7L369E303-L369 HydrophobicContact CB-CD1 4.48Å
304K61.3Low68.9Low79 Ų7972.8 Ų72.834%0.34342%0.419SS..  trans-110.3141.6177.3-69.5-176.9-178.8-165.90109F298 P299 V302F298-K304 PolarHBondContact O-NZ 3.46Å; P299-K304 WeakPolarHBondContact O-CE 3.22Å; P299-K304 PolarHBondContact O-NZ 2.95Å; V302-K304 PolarHBondContact O-N 2.9Å
305T61.4Low69.8Low27 Ų2767 Ų6717%0.16639%0.392CS..  trans-73.7174.5160.868.80000110.1N295 E309 L348 T350 L369N295-T305 PolarHBondContact ND2-O 2.99Å; N295-T305 VanDerWaalsContact ND2-O 3.15Å; T305-E309 WeakPolarHBondContact CB-OE2 3.5Å; T305-E309 PolarHBondContact OG1-OE2 2.85Å; T305-E309 VanDerWaalsContact OG1-OE2 3.09Å; T305-L348 WeakPolarHBondContact CG2-O 3.41Å; T305-T350 PolarHBondContact N-OG1 2.84Å; T305-T350 PolarHBondContact OG1-OG1 3.36Å; T305-L369 HydrophobicContact CG2-CD2 3.67Å
306G62.8Low71.3Confident41 Ų4166.7 Ų66.742%0.42339%0.39SS..  trans-53.1148-172.300000113.4N295 D308 E309N295-G306 PolarHBondContact ND2-O 3.08Å; G306-D308 PolarHBondContact O-N 3.1Å; G306-E309 WeakPolarHBondContact O-CB 3.39Å; G306-E309 PolarHBondContact O-N 3.15Å
307S61.5Low72.8Confident88 Ų8862.1 Ų62.162%0.61537%0.366SS*.THydrogen-bonded Turntrans-55.7-26.6-176.957.70000114.1
308D67.3Low74.6Confident156 Ų15654.9 Ų54.983%0.83434%0.335SS*.THydrogen-bonded Turntrans-90.9-1-176.8-64.3-8.5000113.3G306G306-D308 PolarHBondContact O-N 3.1Å
309E76.8Confident76.2Confident85 Ų8554.1 Ų54.140%0.39733%0.332SS..SBendtrans-91.9146.7-179.9-67.4-178.4178.500112.1T305 G306T305-E309 WeakPolarHBondContact CB-OE2 3.5Å; T305-E309 PolarHBondContact OG1-OE2 2.85Å; T305-E309 VanDerWaalsContact OG1-OE2 3.09Å; G306-E309 WeakPolarHBondContact O-CB 3.39Å; G306-E309 PolarHBondContact O-N 3.15Å
310P83.9Confident77.7Confident52 Ų5250.7 Ų50.734%0.33831%0.31SS..EExtended strand (participates in β ladder)trans-65.9146.2177.828.9-34.7000110.9V292 F312 F349V292-P310 HydrophobicContact CG1-CB 3.96Å; P310-F312 HydrophobicContact CB-CZ 4.41Å; P310-F312 HydrophobicContact CG-CZ 4.28Å; P310-F349 HydrophobicContact CG-CD1 3.99Å; P310-F349 HydrophobicContact CG-CE1 3.85Å; P310-F349 WeakPolarHBondContact O-CD1 3.23Å
311A89.3Confident79.9Confident0 Ų047.4 Ų47.40%028%0.278CS..EExtended strand (participates in β ladder)trans-111.8151.4168.500000110.3V293 F298 T350V293-A311 HydrophobicContact CG2-CB 4.05Å; V293-A311 WeakPolarHBondContact CG2-O 3.48Å; V293-A311 PolarHBondContact N-O 2.84Å; V293-A311 PolarHBondContact O-N 2.73Å; V293-A311 VanDerWaalsContact O-O 3.13Å; F298-A311 HydrophobicContact CD2-CB 3.85Å; F298-A311 HydrophobicContact CE2-CB 3.39Å; F298-A311 HydrophobicContact CZ-CB 4.24Å; A311-T350 CarbonylContact C-O 3.02Å; A311-T350 VanDerWaalsContact CA-O 3.26Å; A311-T350 WeakPolarHBondContact CA-O 3.25Å; A311-T350 WeakPolarHBondContact CB-O 3.29Å
312F93.7Very high81.8Confident4 Ų443.9 Ų43.92%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-117.3144.6-173.9-62-71.7000112.5K290 K291 V292 P310 Y314 F349 T350 S351 S352 E372K290-F312 VanDerWaalsContact CE-CD1 3.41Å; K290-F312 VanDerWaalsContact CE-CE1 3.46Å; K291-F312 WeakPolarHBondContact O-CA 3.38Å; V292-F312 HydrophobicContact CB-CE1 4.48Å; V292-F312 HydrophobicContact CG1-CE1 4.22Å; V292-F312 HydrophobicContact CG2-CD1 4.05Å; V292-F312 HydrophobicContact CG2-CE1 3.8Å; P310-F312 HydrophobicContact CB-CZ 4.41Å; P310-F312 HydrophobicContact CG-CZ 4.28Å; F312-Y314 HydrophobicContact CB-CD2 4.4Å; F312-Y314 HydrophobicContact CB-CE1 4.19Å; F312-Y314 HydrophobicContact CB-CE2 3.72Å; F312-Y314 AromaticContact CG-CZ 3.99Å; F312-F349 HydrophobicContact CD2-CB 3.65Å; F312-F349 HydrophobicContact CD2-CD2 4.38Å; F312-F349 HydrophobicContact CD2-CG 4.06Å; F312-F349 HydrophobicContact CE2-CB 3.67Å; F312-F349 HydrophobicContact CE2-CD1 4.03Å; F312-F349 AromaticContact CE2-CD2 3.68Å; F312-F349 HydrophobicContact CE2-CD2 3.68Å; F312-F349 HydrophobicContact CE2-CE2 4.28Å; F312-F349 AromaticContact CE2-CG 3.52Å; F312-F349 HydrophobicContact CE2-CG 3.52Å; F312-T350 PolarHBondContact N-O 2.89Å; F312-S351 CarbonylContact O-C 3.52Å; F312-S351 VanDerWaalsContact O-CA 3.25Å; F312-S351 WeakPolarHBondContact O-CA 3.32Å; F312-S352 PolarHBondContact O-N 3.17Å; F312-E372 HydrophobicContact CE1-CG 4.31Å; F312-E372 HydrophobicContact CE2-CB 4.26Å; F312-E372 HydrophobicContact CE2-CG 4.1Å; F312-E372 HydrophobicContact CZ-CB 4.36Å; F312-E372 HydrophobicContact CZ-CG 3.78Å
313M94.9Very high83.6Confident34 Ų3441 Ų4117%0.16722%0.224CC..EExtended strand (participates in β ladder)trans-116.1118166.2-51.8176.770.700108.2K290 K291 V293 Y315 W354K290-M313 CarbonylContact C-O 3.52Å; K290-M313 WeakPolarHBondContact CA-O 3.44Å; K291-M313 HydrophobicContact CB-CB 4.27Å; K291-M313 PolarHBondContact N-O 3.05Å; K291-M313 PolarHBondContact O-N 3.46Å; V293-M313 HydrophobicContact CG1-CG 4.13Å; V293-M313 HydrophobicContact CG1-SD 3.7Å; V293-M313 HydrophobicContact CG2-CG 4.03Å; V293-M313 HydrophobicContact CG2-SD 4.45Å; M313-Y315 HydrophobicContact CB-CE2 4.26Å; M313-W354 HydrophobicContact CE-CD2 4.38Å; M313-W354 HydrophobicContact CE-CZ2 3.74Å
314Y96.8Very high85.3Confident0 Ų034 Ų340%019%0.192CC..EExtended strand (participates in β ladder)trans-105.7130.8176.1-58-67000109.8I287 K290 F312 S352 L353 W354 L370 L373I287-Y314 HydrophobicContact CD1-CD1 4.04Å; I287-Y314 HydrophobicContact CD1-CG 4.15Å; I287-Y314 HydrophobicContact CG2-CD1 4.13Å; K290-Y314 HydrophobicContact CB-CD1 4.16Å; K290-Y314 HydrophobicContact CB-CE1 4.35Å; K290-Y314 HydrophobicContact CD-CD1 4.45Å; K290-Y314 HydrophobicContact CD-CE1 3.82Å; K290-Y314 HydrophobicContact CG-CD1 3.97Å; K290-Y314 HydrophobicContact CG-CE1 3.74Å; F312-Y314 HydrophobicContact CB-CD2 4.4Å; F312-Y314 HydrophobicContact CB-CE1 4.19Å; F312-Y314 HydrophobicContact CB-CE2 3.72Å; F312-Y314 AromaticContact CG-CZ 3.99Å; Y314-S352 PolarHBondContact N-O 3.29Å; Y314-L353 HydrophobicContact CD2-CD2 3.93Å; Y314-L353 HydrophobicContact CG-CD2 4.38Å; Y314-W354 PolarHBondContact O-N 2.87Å; Y314-L370 HydrophobicContact CD2-CD1 4.42Å; Y314-L370 HydrophobicContact CE2-CD1 4.41Å; Y314-L373 HydrophobicContact CD1-CB 4.39Å; Y314-L373 HydrophobicContact CE1-CB 3.75Å; Y314-L373 HydrophobicContact CE2-CB 4.38Å; Y314-L373 HydrophobicContact CE2-CD1 4.27Å; Y314-L373 HydrophobicContact CE2-CG 4.31Å; Y314-L373 PolarHBondContact OH-N 3.29Å
315Y96.9Very high86.7Confident24 Ų2431.4 Ų31.49%0.09419%0.185CC..EExtended strand (participates in β ladder)trans-105.8129.3175.4-61.9-95.7000108.7I288 A289 K291 M313 W354I288-Y315 VanDerWaalsContact CG1-O 3.25Å; I288-Y315 WeakPolarHBondContact CG1-O 3.2Å; I288-Y315 PolarHBondContact N-O 3.37Å; A289-Y315 HydrophobicContact CB-CD2 4.03Å; A289-Y315 HydrophobicContact CB-CG 4.32Å; A289-Y315 PolarHBondContact N-O 2.86Å; A289-Y315 PolarHBondContact O-N 2.84Å; K291-Y315 HydrophobicContact CD-CE2 3.75Å; K291-Y315 HydrophobicContact CG-CE2 3.98Å; K291-Y315 PolarHBondContact NZ-OH 3Å; M313-Y315 HydrophobicContact CB-CE2 4.26Å; Y315-W354 CarbonylContact C-O 3.55Å; Y315-W354 WeakPolarHBondContact CA-O 3.44Å; Y315-W354 HydrophobicContact CD1-CB 3.62Å; Y315-W354 HydrophobicContact CD1-CG 4.36Å; Y315-W354 HydrophobicContact CE1-CB 3.83Å; Y315-W354 HydrophobicContact CE1-CG 4.1Å; Y315-W354 HydrophobicContact CG-CB 4.3Å
316M96.6Very high87.9Confident0 Ų030.7 Ų30.70%018%0.181CC..EExtended strand (participates in β ladder)trans-105.3163.6-175.1-58.2-178.2-6000111.1V285 N286 I288 D318 L353 W354 P356 I364 L379 F381V285-M316 HydrophobicContact CG2-CB 4.31Å; V285-M316 HydrophobicContact CG2-CG 4.21Å; V285-M316 HydrophobicContact CG2-SD 3.5Å; V285-M316 WeakPolarHBondContact CG2-SD 3.37Å; N286-M316 WeakPolarHBondContact O-CA 3.46Å; I288-M316 WeakPolarHBondContact CD1-O 3.32Å; M316-D318 VanDerWaalsContact C-N 3.26Å; M316-D318 PolarHBondContact O-N 3.34Å; M316-L353 HydrophobicContact CE-CB 3.97Å; M316-L353 HydrophobicContact SD-CB 4.38Å; M316-L353 HydrophobicContact SD-CD1 4.32Å; M316-W354 PolarHBondContact N-O 3.28Å; M316-P356 WeakPolarHBondContact O-CB 3.34Å; M316-P356 WeakPolarHBondContact O-CD 3.42Å; M316-I364 HydrophobicContact CE-CB 4.37Å; M316-I364 HydrophobicContact CE-CD1 3.13Å; M316-I364 HydrophobicContact CE-CG1 4.34Å; M316-L379 HydrophobicContact SD-CD1 3.86Å; M316-F381 HydrophobicContact CE-CE2 4.48Å; M316-F381 HydrophobicContact CE-CZ 4.24Å; M316-F381 HydrophobicContact SD-CE2 3.95Å; M316-F381 HydrophobicContact SD-CZ 4.01Å
317N95.2Very high89Confident42 Ų4230.8 Ų30.823%0.22517%0.17CC..SBendtrans-82.95.8176.862.9-13.4000114.7K37 A39 N286 I288K37-N317 PolarHBondContact O-ND2 2.95Å; A39-N317 PolarHBondContact N-ND2 3.37Å; A39-N317 VanDerWaalsContact N-ND2 3.17Å; N286-N317 PolarHBondContact N-OD1 2.93Å; N286-N317 PolarHBondContact O-N 3.36Å; N286-N317 VanDerWaalsContact O-N 3.09Å; N286-N317 PolarHBondContact O-OD1 3.41Å; I288-N317 HydrophobicContact CG2-CB 3.76Å
318D95.8Very high89.9Confident12 Ų1231.8 Ų31.86%0.06417%0.168CC..SBendtrans-142.6157.5171.2-161.4-4.4000109.1A39 V285 M316 S323 F324 P401A39-D318 HydrophobicContact CB-CB 4.39Å; V285-D318 HydrophobicContact CG1-CB 4.02Å; M316-D318 VanDerWaalsContact C-N 3.26Å; M316-D318 PolarHBondContact O-N 3.34Å; D318-S323 PolarHBondContact OD1-N 3.45Å; D318-S323 VanDerWaalsContact OD1-N 3.1Å; D318-S323 WeakPolarHBondContact OD2-CB 3.31Å; D318-S323 PolarHBondContact OD2-OG 2.84Å; D318-F324 HydrophobicContact CB-CE2 4.4Å; D318-P401 WeakPolarHBondContact OD2-CG 3.5Å
319G93.4Very high89.9Confident2 Ų228.3 Ų28.32%0.02116%0.156CC..  trans-166.2-157.2-174.700000115.7Y321 G322 S323 F324 D362G319-Y321 VanDerWaalsContact C-N 3.26Å; G319-Y321 PolarHBondContact O-N 3.48Å; G319-G322 CarbonylContact O-C 3.54Å; G319-G322 VanDerWaalsContact O-C 3.29Å; G319-G322 WeakPolarHBondContact O-CA 3.42Å; G319-G322 PolarHBondContact O-N 2.88Å; G319-S323 PolarHBondContact O-N 2.87Å; G319-F324 PolarHBondContact O-N 3.4Å; G319-D362 WeakPolarHBondContact CA-OD1 3.44Å
320V92.6Very high89.5Confident1 Ų129 Ų291%0.00616%0.159CC..THydrogen-bonded Turntrans-65.9-29.6-170.5178.50000111.9G322 A325 L328 D362 I364V320-G322 PolarHBondContact O-N 3.28Å; V320-A325 WeakPolarHBondContact O-CA 3.35Å; V320-A325 WeakPolarHBondContact O-CB 3.39Å; V320-A325 PolarHBondContact O-N 3.21Å; V320-L328 HydrophobicContact CG1-CD1 3.68Å; V320-L328 HydrophobicContact CG1-CD2 3.61Å; V320-L328 HydrophobicContact CG1-CG 3.36Å; V320-D362 PolarHBondContact N-OD1 3.31Å; V320-I364 HydrophobicContact CG2-CG1 3.91Å
321Y91.4Very high88.6Confident56 Ų5633.6 Ų33.622%0.2218%0.181CC..THydrogen-bonded Turntrans-834.2173.1-57.3-69.9000114.1G319 S357 D359 D362 F395G319-Y321 VanDerWaalsContact C-N 3.26Å; G319-Y321 PolarHBondContact O-N 3.48Å; Y321-S357 WeakPolarHBondContact CE2-OG 3.35Å; Y321-D359 HydrophobicContact CE2-CB 3.88Å; Y321-D359 PolarHBondContact OH-OD2 3.35Å; Y321-D359 VanDerWaalsContact OH-OD2 3.07Å; Y321-D362 HydrophobicContact CE2-CB 4.15Å; Y321-F395 HydrophobicContact CD1-CB 4.37Å; Y321-F395 HydrophobicContact CD1-CD1 4.41Å; Y321-F395 HydrophobicContact CD1-CG 4.48Å; Y321-F395 HydrophobicContact CG-CB 4.28Å
322G92.4Very high87.5Confident7 Ų736.9 Ų36.97%0.07220%0.198CC..THydrogen-bonded Turntrans-127.9-121176.500000110.1G319 V320 F324 A325 H390G319-G322 CarbonylContact O-C 3.54Å; G319-G322 VanDerWaalsContact O-C 3.29Å; G319-G322 WeakPolarHBondContact O-CA 3.42Å; G319-G322 PolarHBondContact O-N 2.88Å; V320-G322 PolarHBondContact O-N 3.28Å; G322-F324 VanDerWaalsContact C-N 3.25Å; G322-F324 PolarHBondContact O-N 3.44Å; G322-A325 PolarHBondContact O-N 3.46Å; G322-H390 PolarHBondContact O-CD2 3.48Å
323S94.6Very high86.2Confident2 Ų243.7 Ų43.71%0.01423%0.234CC..THydrogen-bonded Turntrans-71.8-14.3-171.1-55.10000115F41 D318 G319 M384 S388F41-S323 WeakPolarHBondContact CE2-OG 3.49Å; D318-S323 PolarHBondContact OD1-N 3.45Å; D318-S323 VanDerWaalsContact OD1-N 3.1Å; D318-S323 WeakPolarHBondContact OD2-CB 3.31Å; D318-S323 PolarHBondContact OD2-OG 2.84Å; G319-S323 PolarHBondContact O-N 2.87Å; S323-M384 WeakPolarHBondContact O-CE 3.31Å; S323-S388 WeakPolarHBondContact CA-O 3.22Å; S323-S388 WeakPolarHBondContact O-CA 3.26Å; S323-S388 WeakPolarHBondContact O-CB 3.19Å
324F93.7Very high85.2Confident2 Ų243.3 Ų43.31%0.00923%0.234CC..THydrogen-bonded Turntrans-102.320.9-177.9-60.9-89.2000113.1L283 V285 D318 G319 G322 S326 K327 T334 I364 F381 M384L283-F324 HydrophobicContact CD2-CE2 3.68Å; L283-F324 HydrophobicContact CD2-CZ 3.69Å; V285-F324 HydrophobicContact CG1-CE2 4.31Å; D318-F324 HydrophobicContact CB-CE2 4.4Å; G319-F324 PolarHBondContact O-N 3.4Å; G322-F324 VanDerWaalsContact C-N 3.25Å; G322-F324 PolarHBondContact O-N 3.44Å; F324-S326 PolarHBondContact O-N 3.36Å; F324-S326 VanDerWaalsContact O-N 3.16Å; F324-K327 VanDerWaalsContact O-CB 3.31Å; F324-K327 WeakPolarHBondContact O-CB 3.32Å; F324-K327 PolarHBondContact O-N 3.35Å; F324-T334 HydrophobicContact CE1-CG2 4.42Å; F324-I364 HydrophobicContact CB-CG1 4.17Å; F324-I364 HydrophobicContact CB-CG2 4.21Å; F324-I364 HydrophobicContact CD1-CG2 3.4Å; F324-I364 VanDerWaalsContact CD1-CG2 3.4Å; F324-I364 HydrophobicContact CD2-CD1 4.03Å; F324-I364 HydrophobicContact CD2-CG1 4.4Å; F324-I364 HydrophobicContact CD2-CG2 4.46Å; F324-I364 HydrophobicContact CE1-CG2 3.76Å; F324-I364 HydrophobicContact CE2-CD1 4.34Å; F324-I364 HydrophobicContact CG-CD1 4.29Å; F324-I364 HydrophobicContact CG-CG1 4.17Å; F324-I364 HydrophobicContact CG-CG2 3.78Å; F324-I364 HydrophobicContact CZ-CG2 4.42Å; F324-F381 AromaticContact CE1-CD1 4Å; F324-F381 HydrophobicContact CE1-CD1 4Å; F324-F381 HydrophobicContact CE1-CD2 4.35Å; F324-F381 HydrophobicContact CE1-CE1 4.11Å; F324-F381 HydrophobicContact CE1-CE2 4.5Å; F324-F381 HydrophobicContact CE1-CG 4.07Å; F324-F381 HydrophobicContact CE1-CZ 4.35Å; F324-F381 HydrophobicContact CZ-CD1 4.3Å; F324-F381 AromaticContact CZ-CD2 3.84Å; F324-F381 HydrophobicContact CZ-CD2 3.84Å; F324-F381 HydrophobicContact CZ-CE1 4.34Å; F324-F381 AromaticContact CZ-CE2 3.93Å; F324-F381 HydrophobicContact CZ-CE2 3.93Å; F324-F381 HydrophobicContact CZ-CG 4.01Å; F324-F381 HydrophobicContact CZ-CZ 4.14Å; F324-M384 HydrophobicContact CD1-CE 3.61Å; F324-M384 HydrophobicContact CD1-SD 4.37Å; F324-M384 HydrophobicContact CE1-CE 3.56Å; F324-M384 HydrophobicContact CE1-SD 4.1Å; F324-M384 HydrophobicContact CG-CE 4.15Å; F324-M384 HydrophobicContact CZ-CE 4.05Å
325A90.1Very high84.7Confident24 Ų2449.5 Ų49.520%0.19827%0.266CS..G310 helixtrans-58.6-28.2179.800000113.4V320 G322 K327 L328 H390V320-A325 WeakPolarHBondContact O-CA 3.35Å; V320-A325 WeakPolarHBondContact O-CB 3.39Å; V320-A325 PolarHBondContact O-N 3.21Å; G322-A325 PolarHBondContact O-N 3.46Å; A325-K327 PolarHBondContact O-N 3.37Å; A325-K327 VanDerWaalsContact O-N 3.14Å; A325-L328 WeakPolarHBondContact O-CB 3.35Å; A325-L328 PolarHBondContact O-N 2.9Å; A325-H390 WeakPolarHBondContact CB-NE2 3.41Å
326S85.4Confident84.5Confident12 Ų1249 Ų498%0.08427%0.266CS..G310 helixtrans-56.6-25.7174.8600000113.2F324 L328 S329 E330 L332F324-S326 PolarHBondContact O-N 3.36Å; F324-S326 VanDerWaalsContact O-N 3.16Å; S326-L328 PolarHBondContact O-N 3.09Å; S326-S329 PolarHBondContact O-N 3.42Å; S326-S329 VanDerWaalsContact O-N 3.12Å; S326-S329 PolarHBondContact O-OG 3.36Å; S326-S329 VanDerWaalsContact O-OG 3.06Å; S326-E330 PolarHBondContact O-N 3.44Å; S326-L332 WeakPolarHBondContact OG-CD1 3.37Å
327K85.9Confident84.4Confident43 Ų4354.3 Ų54.319%0.18729%0.29CS..G310 helixtrans-64.6-23.2175.6-175.154.1-176.7160.40113.6F324 A325 S329 D331F324-K327 VanDerWaalsContact O-CB 3.31Å; F324-K327 WeakPolarHBondContact O-CB 3.32Å; F324-K327 PolarHBondContact O-N 3.35Å; A325-K327 PolarHBondContact O-N 3.37Å; A325-K327 VanDerWaalsContact O-N 3.14Å; K327-S329 VanDerWaalsContact C-N 3.33Å; K327-D331 IonicContact NZ-OD1 3.95Å
328L82.2Confident84.3Confident110 Ų11054 Ų5458%0.57629%0.29SS*.G310 helixtrans-74-25.7175-67.3173.4000113V320 A325 S326V320-L328 HydrophobicContact CG1-CD1 3.68Å; V320-L328 HydrophobicContact CG1-CD2 3.61Å; V320-L328 HydrophobicContact CG1-CG 3.36Å; A325-L328 WeakPolarHBondContact O-CB 3.35Å; A325-L328 PolarHBondContact O-N 2.9Å; S326-L328 PolarHBondContact O-N 3.09Å
329S66.8Low84.1Confident83 Ų8355.8 Ų55.858%0.5830%0.298SS*.THydrogen-bonded Turntrans-107.5-25.2-174.249.70000113.5S326 K327S326-S329 PolarHBondContact O-N 3.42Å; S326-S329 VanDerWaalsContact O-N 3.12Å; S326-S329 PolarHBondContact O-OG 3.36Å; S326-S329 VanDerWaalsContact O-OG 3.06Å; K327-S329 VanDerWaalsContact C-N 3.33Å
330E68.5Low83.7Confident99 Ų9960.8 Ų60.846%0.46332%0.319SS..SBendtrans-134.6140.8-172.8-60.3-175.2-178.700110.6S326 L332S326-E330 PolarHBondContact O-N 3.44Å; E330-L332 HydrophobicContact CB-CD1 4.03Å; E330-L332 HydrophobicContact CB-CG 3.77Å; E330-L332 PolarHBondContact O-N 2.93Å
331D64.6Low83.1Confident149 Ų14971 Ų7180%0.79736%0.363SS*.  trans-75.664.7166.4-77.1-34.7000110K327 N333K327-D331 IonicContact NZ-OD1 3.95Å; D331-N333 PolarHBondContact O-N 3.06Å
332L65.1Low82.2Confident68 Ų6871.4 Ų71.436%0.35637%0.365SS..  trans-76.8120.1172.2-71.9165.5000108.9S326 E330 T334S326-L332 WeakPolarHBondContact OG-CD1 3.37Å; E330-L332 HydrophobicContact CB-CD1 4.03Å; E330-L332 HydrophobicContact CB-CG 3.77Å; E330-L332 PolarHBondContact O-N 2.93Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 2.93Å; L332-T334 VanDerWaalsContact O-N 3.14Å
333N66.6Low81.5Confident148 Ų14878.9 Ų78.979%0.79140%0.395SS*.  trans-81.880.8165.6-74.6-18.9000108.3D331 I335D331-N333 PolarHBondContact O-N 3.06Å; N333-I335 PolarHBondContact O-N 3.08Å
334T75Confident80.4Confident25 Ų2588.4 Ų88.415%0.15344%0.439CS..  trans-72.9115171.8-36.90000108.4F324 L332 P336 F381 M384F324-T334 HydrophobicContact CE1-CG2 4.42Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 2.93Å; L332-T334 VanDerWaalsContact O-N 3.14Å; T334-P336 WeakPolarHBondContact O-CD 3.37Å; T334-F381 HydrophobicContact CG2-CB 4.34Å; T334-F381 HydrophobicContact CG2-CD1 3.51Å; T334-F381 HydrophobicContact CG2-CE1 4.23Å; T334-F381 HydrophobicContact CG2-CG 4.36Å; T334-M384 HydrophobicContact CG2-SD 3.83Å
335I86.6Confident79.7Confident130 Ų13095.8 Ų95.867%0.66748%0.479SS*.  trans-89116.7-177.6-57.4173.7000108.1N333N333-I335 PolarHBondContact O-N 3.08Å
336P92.1Very high79.4Confident15 Ų1598 Ų9810%0.09749%0.485CS..EExtended strand (participates in β ladder)trans-76.2133.717430.5-33.1000110.5T334 L353 L370 F381T334-P336 WeakPolarHBondContact O-CD 3.37Å; P336-L353 HydrophobicContact CB-CD1 3.76Å; P336-L353 HydrophobicContact CG-CD1 3.8Å; P336-L370 HydrophobicContact CG-CD2 4.4Å; P336-F381 HydrophobicContact CB-CD1 4.35Å; P336-F381 HydrophobicContact CB-CE1 3.63Å; P336-F381 HydrophobicContact CB-CZ 3.77Å; P336-F381 HydrophobicContact CG-CE1 4.5Å
337E93.4Very high79.5Confident111 Ų111101.3 Ų101.352%0.51951%0.507SS..EExtended strand (participates in β ladder)trans-108134.9168.2-64.3-169.1176.600110.1L379 I380E337-L379 WeakPolarHBondContact O-CA 3.39Å; E337-I380 HydrophobicContact CB-CB 4.43Å; E337-I380 PolarHBondContact N-O 3.09Å; E337-I380 PolarHBondContact O-N 2.65Å
338V93.5Very high79.7Confident36 Ų36103.2 Ų103.222%0.21852%0.519CS..EExtended strand (participates in β ladder)trans-82.8127.2177.8-158.60000109.9K340 Y342 L370 P371 L373 L379V338-K340 PolarHBondContact O-N 2.82Å; V338-Y342 HydrophobicContact CB-CD2 4.37Å; V338-Y342 HydrophobicContact CB-CE2 3.95Å; V338-Y342 HydrophobicContact CG1-CD2 4.25Å; V338-Y342 HydrophobicContact CG1-CE2 3.37Å; V338-L370 HydrophobicContact CG2-CD2 3.68Å; V338-P371 HydrophobicContact CG2-CG 4.3Å; V338-L373 HydrophobicContact CG1-CD1 4.4Å; V338-L373 HydrophobicContact CG1-CD2 3.64Å; V338-L373 HydrophobicContact CG2-CD1 4.47Å; V338-L373 HydrophobicContact CG2-CD2 4.29Å; V338-L379 HydrophobicContact CB-CD2 4.34Å; V338-L379 HydrophobicContact CG1-CD2 4.2Å; V338-L379 HydrophobicContact CG2-CD2 3.99Å
339H92.1Very high80.2Confident49 Ų4999.2 Ų99.223%0.22750%0.496CS..SBendtrans-63.1-42.5-177.6173.5-101.9000113D26 W378 I380D26-H339 IonicContact OD1-CD2 3.73Å; D26-H339 IonicContact OD1-CE1 2.68Å; D26-H339 IonicContact OD1-NE2 3.26Å; D26-H339 PolarHBondContact OD1-NE2 3.41Å; H339-W378 HydrophobicContact CB-CB 3.79Å; H339-W378 WeakPolarHBondContact CB-O 3.42Å; H339-W378 PolarHBondContact N-O 2.78Å; H339-I380 HydrophobicContact CB-CD1 4.25Å; H339-I380 HydrophobicContact CB-CG1 4.08Å
340K85.3Confident81.4Confident107 Ų10795.2 Ų95.247%0.46547%0.469SS..SBendtrans-70.4140.5-179.6-74.7179.2174177.60110.6V338 Y342 D377V338-K340 PolarHBondContact O-N 2.82Å; K340-Y342 HydrophobicContact CB-CD2 4.34Å; K340-Y342 HydrophobicContact CB-CE2 3.59Å; K340-Y342 WeakPolarHBondContact O-CD2 3.18Å; K340-Y342 VanDerWaalsContact O-CE2 3.28Å; K340-Y342 WeakPolarHBondContact O-CE2 3.32Å; K340-Y342 PolarHBondContact O-N 3Å; K340-D377 VanDerWaalsContact CE-OD1 3.32Å; K340-D377 WeakPolarHBondContact CE-OD1 3.44Å; K340-D377 IonicContact NZ-OD1 2.64Å; K340-D377 PolarHBondContact NZ-OD1 3.22Å
341K78.7Confident82.5Confident214 Ų21490.5 Ų90.593%0.9345%0.447SS*.  trans-74.8112.6169.6-67.2-175.1179.41790109.7
342Y73.4Confident83.9Confident66 Ų6683.6 Ų83.626%0.25941%0.41SS..  trans-95.4158.9170.3-64.5-83.4000110.1V338 K340 E346 P371 L373V338-Y342 HydrophobicContact CB-CD2 4.37Å; V338-Y342 HydrophobicContact CB-CE2 3.95Å; V338-Y342 HydrophobicContact CG1-CD2 4.25Å; V338-Y342 HydrophobicContact CG1-CE2 3.37Å; K340-Y342 HydrophobicContact CB-CD2 4.34Å; K340-Y342 HydrophobicContact CB-CE2 3.59Å; K340-Y342 WeakPolarHBondContact O-CD2 3.18Å; K340-Y342 VanDerWaalsContact O-CE2 3.28Å; K340-Y342 WeakPolarHBondContact O-CE2 3.32Å; K340-Y342 PolarHBondContact O-N 3Å; Y342-E346 WeakPolarHBondContact CD1-OE2 3.37Å; Y342-P371 HydrophobicContact CD1-CB 4.29Å; Y342-P371 HydrophobicContact CD1-CG 4.27Å; Y342-P371 HydrophobicContact CD2-CG 3.79Å; Y342-P371 HydrophobicContact CE1-CB 4.47Å; Y342-P371 HydrophobicContact CE1-CG 4.35Å; Y342-P371 HydrophobicContact CE2-CG 4Å; Y342-P371 HydrophobicContact CG-CB 4.29Å; Y342-P371 HydrophobicContact CG-CG 3.94Å; Y342-L373 HydrophobicContact CE2-CD2 4.15Å; Y342-L373 WeakPolarHBondContact OH-CD2 3.49Å
343K77.5Confident85.3Confident164 Ų16480.3 Ų80.371%0.71339%0.393SS*.  trans-69.3143.8172.6-62.8177.2-179.5175.50109D345 E346K343-D345 PolarHBondContact O-N 3.21Å; K343-E346 HydrophobicContact CB-CG 4.22Å; K343-E346 PolarHBondContact N-OE1 3.23Å; K343-E346 WeakPolarHBondContact O-CB 3.38Å; K343-E346 PolarHBondContact O-N 3.19Å
344E72.4Confident86.7Confident201 Ų20175.2 Ų75.294%0.93936%0.363SS*.THydrogen-bonded Turntrans-56.1-26.8178.7-71-177.1169.800113
345D78Confident87.6Confident158 Ų15874.1 Ų74.185%0.84536%0.356SS*.THydrogen-bonded Turntrans-89.37.5-179.2-56.1-38.7000114K343K343-D345 PolarHBondContact O-N 3.21Å
346E83.9Confident88Confident70 Ų7070.9 Ų70.933%0.32734%0.343SS..PPolyproline II helixtrans-70139.2179.4-83.9-172.8-143.500112.6Y342 K343 L348Y342-E346 WeakPolarHBondContact CD1-OE2 3.37Å; K343-E346 HydrophobicContact CB-CG 4.22Å; K343-E346 PolarHBondContact N-OE1 3.23Å; K343-E346 WeakPolarHBondContact O-CB 3.38Å; K343-E346 PolarHBondContact O-N 3.19Å; E346-L348 PolarHBondContact O-N 2.81Å
347P88.1Confident87.8Confident82 Ų8272.6 Ų72.653%0.53236%0.355SS..PPolyproline II helixtrans-66127.2-179.727.7-33.2000110F349P347-F349 HydrophobicContact CB-CE2 3.91Å; P347-F349 HydrophobicContact CB-CZ 3.86Å; P347-F349 HydrophobicContact CG-CE2 3.83Å; P347-F349 HydrophobicContact CG-CZ 3.92Å; P347-F349 WeakPolarHBondContact O-CD2 3.45Å; P347-F349 VanDerWaalsContact O-CE2 3.31Å; P347-F349 WeakPolarHBondContact O-CE2 3.14Å
348L90.8Very high87.1Confident83 Ų8372.4 Ų72.444%0.43537%0.366SS..EExtended strand (participates in β ladder)trans-88.4146.4171-58.5179.9000109.4T305 E346 L369 P371T305-L348 WeakPolarHBondContact CG2-O 3.41Å; E346-L348 PolarHBondContact O-N 2.81Å; L348-L369 HydrophobicContact CB-CB 4.3Å; L348-L369 HydrophobicContact CD1-CB 4.28Å; L348-P371 HydrophobicContact CD2-CB 4.37Å
349F91.3Very high86.8Confident25 Ų2573.7 Ų73.711%0.1137%0.371CS..EExtended strand (participates in β ladder)trans-130.8146.2-179.2-60.1-85.8000110.9P310 F312 P347 S351 L370 E372P310-F349 HydrophobicContact CG-CD1 3.99Å; P310-F349 HydrophobicContact CG-CE1 3.85Å; P310-F349 WeakPolarHBondContact O-CD1 3.23Å; F312-F349 HydrophobicContact CD2-CB 3.65Å; F312-F349 HydrophobicContact CD2-CD2 4.38Å; F312-F349 HydrophobicContact CD2-CG 4.06Å; F312-F349 HydrophobicContact CE2-CB 3.67Å; F312-F349 HydrophobicContact CE2-CD1 4.03Å; F312-F349 AromaticContact CE2-CD2 3.68Å; F312-F349 HydrophobicContact CE2-CD2 3.68Å; F312-F349 HydrophobicContact CE2-CE2 4.28Å; F312-F349 AromaticContact CE2-CG 3.52Å; F312-F349 HydrophobicContact CE2-CG 3.52Å; P347-F349 HydrophobicContact CB-CE2 3.91Å; P347-F349 HydrophobicContact CB-CZ 3.86Å; P347-F349 HydrophobicContact CG-CE2 3.83Å; P347-F349 HydrophobicContact CG-CZ 3.92Å; P347-F349 WeakPolarHBondContact O-CD2 3.45Å; P347-F349 VanDerWaalsContact O-CE2 3.31Å; P347-F349 WeakPolarHBondContact O-CE2 3.14Å; F349-S351 PolarHBondContact O-N 3.23Å; F349-S351 PolarHBondContact O-OG 2.73Å; F349-L370 PolarHBondContact N-O 3.4Å; F349-L370 PolarHBondContact O-N 3.04Å; F349-E372 HydrophobicContact CD2-CB 4.26Å; F349-E372 HydrophobicContact CE2-CB 4.06Å
350T92.3Very high86.6Confident0 Ų079.1 Ų79.10%040%0.397CS..EExtended strand (participates in β ladder)trans-60.7121.4172.5-48.10000109.5F298 T305 A311 F312F298-T350 HydrophobicContact CD1-CG2 4.2Å; F298-T350 HydrophobicContact CE1-CG2 4.36Å; F298-T350 HydrophobicContact CG-CG2 4.29Å; T305-T350 PolarHBondContact N-OG1 2.84Å; T305-T350 PolarHBondContact OG1-OG1 3.36Å; A311-T350 CarbonylContact C-O 3.02Å; A311-T350 VanDerWaalsContact CA-O 3.26Å; A311-T350 WeakPolarHBondContact CA-O 3.25Å; A311-T350 WeakPolarHBondContact CB-O 3.29Å; F312-T350 PolarHBondContact N-O 2.89Å
351S92.8Very high86.8Confident0 Ų078.9 Ų78.90%040%0.4CS..EExtended strand (participates in β ladder)trans-136.5141.7-172-60.10000112.2F312 F349 S367 C368F312-S351 CarbonylContact O-C 3.52Å; F312-S351 VanDerWaalsContact O-CA 3.25Å; F312-S351 WeakPolarHBondContact O-CA 3.32Å; F349-S351 PolarHBondContact O-N 3.23Å; F349-S351 PolarHBondContact O-OG 2.73Å; S351-S367 CarbonylContact O-C 3.5Å; S351-S367 VanDerWaalsContact O-CA 3.3Å; S351-S367 WeakPolarHBondContact O-CA 3.4Å; S351-C368 PolarHBondContact N-O 3.35Å; S351-C368 PolarHBondContact O-N 3.07Å; S351-C368 PolarHBondContact O-SG 3.36Å; S351-C368 VanDerWaalsContact O-SG 3.34Å
352S93.2Very high87.5Confident3 Ų368.8 Ų68.82%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-111.5146.2167.851.50000111.2F312 Y314 W354 V365 E366F312-S352 PolarHBondContact O-N 3.17Å; Y314-S352 PolarHBondContact N-O 3.29Å; S352-W354 PolarHBondContact OG-NE1 3.07Å; S352-V365 WeakPolarHBondContact CA-O 3.44Å; S352-E366 WeakPolarHBondContact CB-O 3.31Å
353L94.7Very high88.3Confident0 Ų068.3 Ų68.30%036%0.356CS..EExtended strand (participates in β ladder)trans-112.7129.5178.3-54.5-174.9000110.5Y314 M316 P336 I364 V365 L370 L379 F381Y314-L353 HydrophobicContact CD2-CD2 3.93Å; Y314-L353 HydrophobicContact CG-CD2 4.38Å; M316-L353 HydrophobicContact CE-CB 3.97Å; M316-L353 HydrophobicContact SD-CB 4.38Å; M316-L353 HydrophobicContact SD-CD1 4.32Å; P336-L353 HydrophobicContact CB-CD1 3.76Å; P336-L353 HydrophobicContact CG-CD1 3.8Å; L353-I364 PolarHBondContact O-N 2.95Å; L353-V365 HydrophobicContact CB-CB 3.94Å; L353-V365 HydrophobicContact CB-CG2 4.22Å; L353-V365 HydrophobicContact CD1-CB 4.21Å; L353-V365 HydrophobicContact CD1-CG2 3.92Å; L353-V365 HydrophobicContact CG-CB 4.05Å; L353-V365 HydrophobicContact CG-CG2 4.3Å; L353-V365 PolarHBondContact N-O 3.22Å; L353-V365 PolarHBondContact O-N 3.43Å; L353-L370 HydrophobicContact CD2-CD1 4.04Å; L353-L379 HydrophobicContact CD1-CD1 3.94Å; L353-L379 HydrophobicContact CD2-CD1 3.93Å; L353-F381 HydrophobicContact CD1-CE1 4.35Å; L353-F381 HydrophobicContact CD1-CZ 3.81Å
354W95Very high89Confident41 Ų4160.7 Ų60.716%0.15532%0.323CS..EExtended strand (participates in β ladder)trans-127.5150.8-174.8-62.876.4000110.3M313 Y314 Y315 M316 S352 D362 Q363M313-W354 HydrophobicContact CE-CD2 4.38Å; M313-W354 HydrophobicContact CE-CZ2 3.74Å; Y314-W354 PolarHBondContact O-N 2.87Å; Y315-W354 CarbonylContact C-O 3.55Å; Y315-W354 WeakPolarHBondContact CA-O 3.44Å; Y315-W354 HydrophobicContact CD1-CB 3.62Å; Y315-W354 HydrophobicContact CD1-CG 4.36Å; Y315-W354 HydrophobicContact CE1-CB 3.83Å; Y315-W354 HydrophobicContact CE1-CG 4.1Å; Y315-W354 HydrophobicContact CG-CB 4.3Å; M316-W354 PolarHBondContact N-O 3.28Å; S352-W354 PolarHBondContact OG-NE1 3.07Å; W354-D362 CarbonylContact C-O 3.54Å; W354-D362 WeakPolarHBondContact CA-O 3.18Å; W354-Q363 HydrophobicContact CD2-CB 4.17Å; W354-Q363 HydrophobicContact CD2-CG 4.15Å; W354-Q363 HydrophobicContact CE3-CB 3.82Å; W354-Q363 HydrophobicContact CE3-CG 4.29Å; W354-Q363 HydrophobicContact CH2-CB 3.89Å; W354-Q363 HydrophobicContact CH2-CG 4.02Å; W354-Q363 HydrophobicContact CZ2-CB 4.23Å; W354-Q363 HydrophobicContact CZ2-CG 3.86Å; W354-Q363 HydrophobicContact CZ3-CB 3.68Å; W354-Q363 HydrophobicContact CZ3-CG 4.24Å
355G94.6Very high89.9Confident1 Ų152 Ų521%0.0128%0.284CS..  trans-80.4-177.417100000113.5D362G355-D362 VanDerWaalsContact CA-CG 3.43Å; G355-D362 WeakPolarHBondContact CA-OD1 3.34Å; G355-D362 VanDerWaalsContact CA-OD2 3.23Å; G355-D362 WeakPolarHBondContact CA-OD2 3.43Å; G355-D362 PolarHBondContact N-O 2.86Å
356P94.1Very high90.5Very high62 Ų6249.1 Ų49.140%0.40327%0.265SS..THydrogen-bonded Turntrans-81.2-13.7-171.130.9-35.2000114.2I288 M316 C358I288-P356 HydrophobicContact CD1-CB 4.05Å; M316-P356 WeakPolarHBondContact O-CB 3.34Å; M316-P356 WeakPolarHBondContact O-CD 3.42Å; P356-C358 VanDerWaalsContact C-N 3.3Å; P356-C358 PolarHBondContact O-N 2.93Å
357S88.4Confident90.7Very high51 Ų5146.9 Ų46.936%0.35726%0.257SS..THydrogen-bonded Turntrans-76.4-14.3-166.668.90000114.6Y321 D359 D362Y321-S357 WeakPolarHBondContact CE2-OG 3.35Å; S357-D359 PolarHBondContact O-N 2.99Å; S357-D359 WeakPolarHBondContact OG-CB 3.37Å; S357-D359 PolarHBondContact OG-N 3.31Å; S357-D362 VanDerWaalsContact CB-OD2 3.24Å; S357-D362 WeakPolarHBondContact CB-OD2 3.23Å; S357-D362 PolarHBondContact N-OD2 3.33Å; S357-D362 WeakPolarHBondContact OG-CB 3.25Å; S357-D362 PolarHBondContact OG-OD2 3.3Å
358C78.4Confident90.9Very high108 Ų10844 Ų4473%0.7324%0.238SC*.  trans57.817.9-169.5-56.70000114.4P356P356-C358 VanDerWaalsContact C-N 3.3Å; P356-C358 PolarHBondContact O-N 2.93Å
359D88Confident90.9Very high63 Ų6343 Ų4334%0.33723%0.234SC..  trans-77.2149.8169.6-162.4-54.2000110.2Y321 S357 L361 D362Y321-D359 HydrophobicContact CE2-CB 3.88Å; Y321-D359 PolarHBondContact OH-OD2 3.35Å; Y321-D359 VanDerWaalsContact OH-OD2 3.07Å; S357-D359 PolarHBondContact O-N 2.99Å; S357-D359 WeakPolarHBondContact OG-CB 3.37Å; S357-D359 PolarHBondContact OG-N 3.31Å; D359-L361 PolarHBondContact O-N 2.73Å; D359-L361 PolarHBondContact OD1-N 3Å; D359-D362 HydrophobicContact CB-CB 4.19Å; D359-D362 PolarHBondContact O-N 3.46Å
360E87.8Confident90.9Very high163 Ų16342.2 Ų42.276%0.76223%0.23SC*.THydrogen-bonded Turntrans-66.7-26.8175.364.4-175179.700112.6D362E360-D362 VanDerWaalsContact C-N 3.3Å
361L89.8Confident91Very high101 Ų10142.7 Ų42.753%0.52923%0.233SC..THydrogen-bonded Turntrans-80.1-11.1175.7-60.8-179.9000113.1D359 Q363D359-L361 PolarHBondContact O-N 2.73Å; D359-L361 PolarHBondContact OD1-N 3Å; L361-Q363 PolarHBondContact O-N 3.25Å; L361-Q363 VanDerWaalsContact O-N 3.1Å
362D92.3Very high91Very high2 Ų247.1 Ų47.11%0.01125%0.254CS..  trans-86.835.8-178.5-157.413.6000112.1G319 V320 Y321 W354 G355 S357 D359 E360G319-D362 WeakPolarHBondContact CA-OD1 3.44Å; V320-D362 PolarHBondContact N-OD1 3.31Å; Y321-D362 HydrophobicContact CE2-CB 4.15Å; W354-D362 CarbonylContact C-O 3.54Å; W354-D362 WeakPolarHBondContact CA-O 3.18Å; G355-D362 VanDerWaalsContact CA-CG 3.43Å; G355-D362 WeakPolarHBondContact CA-OD1 3.34Å; G355-D362 VanDerWaalsContact CA-OD2 3.23Å; G355-D362 WeakPolarHBondContact CA-OD2 3.43Å; G355-D362 PolarHBondContact N-O 2.86Å; S357-D362 VanDerWaalsContact CB-OD2 3.24Å; S357-D362 WeakPolarHBondContact CB-OD2 3.23Å; S357-D362 PolarHBondContact N-OD2 3.33Å; S357-D362 WeakPolarHBondContact OG-CB 3.25Å; S357-D362 PolarHBondContact OG-OD2 3.3Å; D359-D362 HydrophobicContact CB-CB 4.19Å; D359-D362 PolarHBondContact O-N 3.46Å; E360-D362 VanDerWaalsContact C-N 3.3Å
363Q91.6Very high91.1Very high56 Ų5647 Ų4726%0.26225%0.253SS..EExtended strand (participates in β ladder)trans-94.3120.2171.3-169.2174.929.600109.1W354 L361W354-Q363 HydrophobicContact CD2-CB 4.17Å; W354-Q363 HydrophobicContact CD2-CG 4.15Å; W354-Q363 HydrophobicContact CE3-CB 3.82Å; W354-Q363 HydrophobicContact CE3-CG 4.29Å; W354-Q363 HydrophobicContact CH2-CB 3.89Å; W354-Q363 HydrophobicContact CH2-CG 4.02Å; W354-Q363 HydrophobicContact CZ2-CB 4.23Å; W354-Q363 HydrophobicContact CZ2-CG 3.86Å; W354-Q363 HydrophobicContact CZ3-CB 3.68Å; W354-Q363 HydrophobicContact CZ3-CG 4.24Å; L361-Q363 PolarHBondContact O-N 3.25Å; L361-Q363 VanDerWaalsContact O-N 3.1Å
364I92.4Very high91.2Very high4 Ų451.4 Ų51.42%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-97.1-47.5-173.8-60.7151.7000109.7M316 V320 F324 L353M316-I364 HydrophobicContact CE-CB 4.37Å; M316-I364 HydrophobicContact CE-CD1 3.13Å; M316-I364 HydrophobicContact CE-CG1 4.34Å; V320-I364 HydrophobicContact CG2-CG1 3.91Å; F324-I364 HydrophobicContact CB-CG1 4.17Å; F324-I364 HydrophobicContact CB-CG2 4.21Å; F324-I364 HydrophobicContact CD1-CG2 3.4Å; F324-I364 VanDerWaalsContact CD1-CG2 3.4Å; F324-I364 HydrophobicContact CD2-CD1 4.03Å; F324-I364 HydrophobicContact CD2-CG1 4.4Å; F324-I364 HydrophobicContact CD2-CG2 4.46Å; F324-I364 HydrophobicContact CE1-CG2 3.76Å; F324-I364 HydrophobicContact CE2-CD1 4.34Å; F324-I364 HydrophobicContact CG-CD1 4.29Å; F324-I364 HydrophobicContact CG-CG1 4.17Å; F324-I364 HydrophobicContact CG-CG2 3.78Å; F324-I364 HydrophobicContact CZ-CG2 4.42Å; L353-I364 PolarHBondContact O-N 2.95Å
365V91.7Very high91.3Very high18 Ų1853.9 Ų53.911%0.10930%0.296CS..EExtended strand (participates in β ladder)trans-124.5116.8176-176.90000108.6S352 L353 C368S352-V365 WeakPolarHBondContact CA-O 3.44Å; L353-V365 HydrophobicContact CB-CB 3.94Å; L353-V365 HydrophobicContact CB-CG2 4.22Å; L353-V365 HydrophobicContact CD1-CB 4.21Å; L353-V365 HydrophobicContact CD1-CG2 3.92Å; L353-V365 HydrophobicContact CG-CB 4.05Å; L353-V365 HydrophobicContact CG-CG2 4.3Å; L353-V365 PolarHBondContact N-O 3.22Å; L353-V365 PolarHBondContact O-N 3.43Å; V365-C368 HydrophobicContact CG1-CB 3.85Å
366E89.4Confident91.4Very high99 Ų9954.3 Ų54.346%0.46330%0.301SS..EExtended strand (participates in β ladder)trans-63.6-45.2-178.7-70179.3-158.200112.1S352S352-E366 WeakPolarHBondContact CB-O 3.31Å
367S88.3Confident91.5Very high22 Ų2251.7 Ų51.715%0.15428%0.283CS..EExtended strand (participates in β ladder)trans-158.9136.1177.2174.30000110.8V302 S351V302-S367 WeakPolarHBondContact CG1-OG 3.24Å; S351-S367 CarbonylContact O-C 3.5Å; S351-S367 VanDerWaalsContact O-CA 3.3Å; S351-S367 WeakPolarHBondContact O-CA 3.4Å
368C91.3Very high91.9Very high21 Ų2149.7 Ų49.714%0.14227%0.268CS..EExtended strand (participates in β ladder)trans-149.6163.8174.659.40000110.2S351 V365S351-C368 PolarHBondContact N-O 3.35Å; S351-C368 PolarHBondContact O-N 3.07Å; S351-C368 PolarHBondContact O-SG 3.36Å; S351-C368 VanDerWaalsContact O-SG 3.34Å; V365-C368 HydrophobicContact CG1-CB 3.85Å
369L91.1Very high92.8Very high64 Ų6444.5 Ų44.534%0.33523%0.233SC..EExtended strand (participates in β ladder)trans-98.1119.3175.5-65.4176.2000109.4E303 T305 L348E303-L369 HydrophobicContact CB-CD1 4.48Å; T305-L369 HydrophobicContact CG2-CD2 3.67Å; L348-L369 HydrophobicContact CB-CB 4.3Å; L348-L369 HydrophobicContact CD1-CB 4.28Å
370L92.4Very high93.3Very high7 Ų742.1 Ų42.14%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-136.2149.5179.2-67.7173.5000110Y314 P336 V338 F349 L353 L373Y314-L370 HydrophobicContact CD2-CD1 4.42Å; Y314-L370 HydrophobicContact CE2-CD1 4.41Å; P336-L370 HydrophobicContact CG-CD2 4.4Å; V338-L370 HydrophobicContact CG2-CD2 3.68Å; F349-L370 PolarHBondContact N-O 3.4Å; F349-L370 PolarHBondContact O-N 3.04Å; L353-L370 HydrophobicContact CD2-CD1 4.04Å; L370-L373 HydrophobicContact CD1-CD1 4.16Å
371P93.6Very high93.7Very high10 Ų1034.4 Ų34.47%0.06518%0.184CC..EExtended strand (participates in β ladder)trans-61.6167.8165.528.9-33.3000110V338 Y342 L348 L373V338-P371 HydrophobicContact CG2-CG 4.3Å; Y342-P371 HydrophobicContact CD1-CB 4.29Å; Y342-P371 HydrophobicContact CD1-CG 4.27Å; Y342-P371 HydrophobicContact CD2-CG 3.79Å; Y342-P371 HydrophobicContact CE1-CB 4.47Å; Y342-P371 HydrophobicContact CE1-CG 4.35Å; Y342-P371 HydrophobicContact CE2-CG 4Å; Y342-P371 HydrophobicContact CG-CB 4.29Å; Y342-P371 HydrophobicContact CG-CG 3.94Å; L348-P371 HydrophobicContact CD2-CB 4.37Å; P371-L373 HydrophobicContact CG-CD2 4.03Å; P371-L373 WeakPolarHBondContact O-CG 3.44Å; P371-L373 PolarHBondContact O-N 2.93Å; P371-L373 VanDerWaalsContact O-N 3.14Å
372E94Very high94Very high94 Ų9432.7 Ų32.744%0.43918%0.175SC..  trans-67115.7175.4-174.9173.8-174.900110.8K290 F312 F349K290-E372 IonicContact NZ-OE1 2.65Å; K290-E372 PolarHBondContact NZ-OE1 2.84Å; F312-E372 HydrophobicContact CE1-CG 4.31Å; F312-E372 HydrophobicContact CE2-CB 4.26Å; F312-E372 HydrophobicContact CE2-CG 4.1Å; F312-E372 HydrophobicContact CZ-CB 4.36Å; F312-E372 HydrophobicContact CZ-CG 3.78Å; F349-E372 HydrophobicContact CD2-CB 4.26Å; F349-E372 HydrophobicContact CE2-CB 4.06Å
373L95.3Very high94.1Very high0 Ų037.2 Ų37.20%020%0.199CC..  trans-100.8162.1179.9-50.3-179.4000111.4I287 K290 Y314 V338 Y342 L370 P371 L379I287-L373 HydrophobicContact CD1-CB 3.62Å; I287-L373 HydrophobicContact CD1-CD1 3.55Å; I287-L373 HydrophobicContact CD1-CG 4.21Å; K290-L373 WeakPolarHBondContact CD-O 3.36Å; K290-L373 WeakPolarHBondContact CE-O 3.32Å; K290-L373 PolarHBondContact NZ-O 3.41Å; Y314-L373 HydrophobicContact CD1-CB 4.39Å; Y314-L373 HydrophobicContact CE1-CB 3.75Å; Y314-L373 HydrophobicContact CE2-CB 4.38Å; Y314-L373 HydrophobicContact CE2-CD1 4.27Å; Y314-L373 HydrophobicContact CE2-CG 4.31Å; Y314-L373 PolarHBondContact OH-N 3.29Å; V338-L373 HydrophobicContact CG1-CD1 4.4Å; V338-L373 HydrophobicContact CG1-CD2 3.64Å; V338-L373 HydrophobicContact CG2-CD1 4.47Å; V338-L373 HydrophobicContact CG2-CD2 4.29Å; Y342-L373 HydrophobicContact CE2-CD2 4.15Å; Y342-L373 WeakPolarHBondContact OH-CD2 3.49Å; L370-L373 HydrophobicContact CD1-CD1 4.16Å; P371-L373 HydrophobicContact CG-CD2 4.03Å; P371-L373 WeakPolarHBondContact O-CG 3.44Å; P371-L373 PolarHBondContact O-N 2.93Å; P371-L373 VanDerWaalsContact O-N 3.14Å; L373-L379 HydrophobicContact CD1-CD2 3.81Å; L373-L379 HydrophobicContact CD1-CG 4.42Å
374N96.3Very high94.3Very high92 Ų9235 Ų3549%0.49219%0.189SC..  trans-121.3159.3178.5-66.9-71000112.1G376 D377N374-G376 PolarHBondContact O-N 3.14Å; N374-D377 PolarHBondContact N-OD2 2.91Å; N374-D377 VanDerWaalsContact O-CB 3.3Å; N374-D377 WeakPolarHBondContact O-CB 3.49Å; N374-D377 PolarHBondContact O-N 2.67Å
375V97.3Very high94.4Very high93 Ų9334.8 Ų34.856%0.56419%0.188SC*.THydrogen-bonded Turntrans-58.6128.7170.51760000108.9I287 K290I287-V375 CarbonylContact O-C 3.59Å; I287-V375 WeakPolarHBondContact O-CA 3.22Å; K290-V375 HydrophobicContact CB-CG2 4.36Å
376G95.6Very high94.5Very high10 Ų1034.6 Ų34.610%0.10319%0.189CC..THydrogen-bonded Turntrans97.4-6.9-175.400000114.9K37 N286 I287 N374K37-G376 PolarHBondContact NZ-O 3.09Å; K37-G376 VanDerWaalsContact NZ-O 3.09Å; N286-G376 VanDerWaalsContact ND2-C 3.27Å; N286-G376 PolarHBondContact ND2-O 3.41Å; N286-G376 WeakPolarHBondContact OD1-CA 2.95Å; I287-G376 PolarHBondContact O-N 3.23Å; N374-G376 PolarHBondContact O-N 3.14Å
377D96.8Very high94.5Very high7 Ų731.9 Ų31.94%0.03718%0.177CC..  trans-75.1155.1171.5-67.2-18.3000111.4N286 I287 K340 N374N286-D377 PolarHBondContact ND2-O 3.28Å; N286-D377 VanDerWaalsContact ND2-O 3.12Å; I287-D377 HydrophobicContact CD1-CB 4.34Å; I287-D377 PolarHBondContact N-O 3.26Å; K340-D377 VanDerWaalsContact CE-OD1 3.32Å; K340-D377 WeakPolarHBondContact CE-OD1 3.44Å; K340-D377 IonicContact NZ-OD1 2.64Å; K340-D377 PolarHBondContact NZ-OD1 3.22Å; N374-D377 PolarHBondContact N-OD2 2.91Å; N374-D377 VanDerWaalsContact O-CB 3.3Å; N374-D377 WeakPolarHBondContact O-CB 3.49Å; N374-D377 PolarHBondContact O-N 2.67Å
378W97.8Very high94.7Very high9 Ų931 Ų313%0.03417%0.171CC..EExtended strand (participates in β ladder)trans-108.6139-175.8-68.389.4000111.7V29 H32 T33 K37 N38 F40 A284 V285 N286 H339V29-W378 HydrophobicContact CG1-CD2 4.36Å; V29-W378 HydrophobicContact CG1-CG 3.99Å; V29-W378 HydrophobicContact CG2-CB 4.49Å; V29-W378 HydrophobicContact CG2-CD2 4.16Å; V29-W378 HydrophobicContact CG2-CE3 4.49Å; V29-W378 HydrophobicContact CG2-CG 4.16Å; H32-W378 HydrophobicContact CB-CH2 3.83Å; H32-W378 HydrophobicContact CB-CZ2 3.83Å; T33-W378 PolarHBondContact OG1-NE1 3.46Å; K37-W378 HydrophobicContact CB-CZ2 4.11Å; K37-W378 HydrophobicContact CG-CZ2 4.17Å; N38-W378 WeakPolarHBondContact O-CH2 3.45Å; F40-W378 HydrophobicContact CD1-CH2 4.11Å; F40-W378 AromaticContact CD1-CZ3 3.96Å; F40-W378 HydrophobicContact CD1-CZ3 3.96Å; F40-W378 HydrophobicContact CE1-CE3 4.32Å; F40-W378 AromaticContact CE1-CH2 3.91Å; F40-W378 HydrophobicContact CE1-CH2 3.91Å; F40-W378 AromaticContact CE1-CZ3 3.71Å; F40-W378 HydrophobicContact CE1-CZ3 3.71Å; A284-W378 HydrophobicContact CB-CE3 4.08Å; A284-W378 HydrophobicContact CB-CZ3 4.25Å; V285-W378 WeakPolarHBondContact O-CA 3.5Å; N286-W378 HydrophobicContact CB-CD2 4.33Å; N286-W378 HydrophobicContact CB-CE3 4.2Å; N286-W378 HydrophobicContact CB-CH2 4.36Å; N286-W378 HydrophobicContact CB-CZ2 4.48Å; N286-W378 HydrophobicContact CB-CZ3 4.21Å; N286-W378 PolarHBondContact ND2-NE1 2.74Å; H339-W378 HydrophobicContact CB-CB 3.79Å; H339-W378 WeakPolarHBondContact CB-O 3.42Å; H339-W378 PolarHBondContact N-O 2.78Å
379L97.3Very high94.6Very high0 Ų031.3 Ų31.30%017%0.17CC..EExtended strand (participates in β ladder)trans-115.4138.9170-67.8174.9000109A284 V285 I287 M316 E337 V338 L353 L373 F381A284-L379 WeakPolarHBondContact CA-O 3.2Å; V285-L379 HydrophobicContact CG2-CB 3.97Å; V285-L379 PolarHBondContact N-O 3.44Å; V285-L379 PolarHBondContact O-N 2.91Å; I287-L379 HydrophobicContact CD1-CD1 4.36Å; I287-L379 HydrophobicContact CD1-CG 4.49Å; I287-L379 HydrophobicContact CG1-CD1 4.39Å; M316-L379 HydrophobicContact SD-CD1 3.86Å; E337-L379 WeakPolarHBondContact O-CA 3.39Å; V338-L379 HydrophobicContact CB-CD2 4.34Å; V338-L379 HydrophobicContact CG1-CD2 4.2Å; V338-L379 HydrophobicContact CG2-CD2 3.99Å; L353-L379 HydrophobicContact CD1-CD1 3.94Å; L353-L379 HydrophobicContact CD2-CD1 3.93Å; L373-L379 HydrophobicContact CD1-CD2 3.81Å; L373-L379 HydrophobicContact CD1-CG 4.42Å; L379-F381 HydrophobicContact CB-CE2 3.82Å; L379-F381 HydrophobicContact CB-CZ 4.47Å
380I97.6Very high94.4Very high13 Ų1331.7 Ų31.77%0.06717%0.17CC..EExtended strand (participates in β ladder)trans-111134-179-50.1-55.8000108.2I25 T282 L283 A284 E337 H339I25-I380 HydrophobicContact CD1-CG2 4.19Å; I25-I380 HydrophobicContact CG2-CD1 3.64Å; I25-I380 HydrophobicContact CG2-CG1 4.38Å; T282-I380 HydrophobicContact CG2-CG2 3.34Å; L283-I380 CarbonylContact O-C 3.48Å; L283-I380 WeakPolarHBondContact O-CA 3.34Å; A284-I380 HydrophobicContact CB-CD1 3.66Å; E337-I380 HydrophobicContact CB-CB 4.43Å; E337-I380 PolarHBondContact N-O 3.09Å; E337-I380 PolarHBondContact O-N 2.65Å; H339-I380 HydrophobicContact CB-CD1 4.25Å; H339-I380 HydrophobicContact CB-CG1 4.08Å
381F96.7Very high93.7Very high0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-126.3110.8179.5-67.8-88.9000109.3T282 L283 V285 M316 F324 T334 P336 L353 L379 M384T282-F381 WeakPolarHBondContact CA-O 3.3Å; L283-F381 HydrophobicContact CB-CB 4.37Å; L283-F381 PolarHBondContact N-O 2.86Å; L283-F381 PolarHBondContact O-N 3.47Å; V285-F381 HydrophobicContact CG2-CD2 3.96Å; V285-F381 HydrophobicContact CG2-CE2 3.49Å; V285-F381 VanDerWaalsContact CG2-CE2 3.49Å; M316-F381 HydrophobicContact CE-CE2 4.48Å; M316-F381 HydrophobicContact CE-CZ 4.24Å; M316-F381 HydrophobicContact SD-CE2 3.95Å; M316-F381 HydrophobicContact SD-CZ 4.01Å; F324-F381 AromaticContact CE1-CD1 4Å; F324-F381 HydrophobicContact CE1-CD1 4Å; F324-F381 HydrophobicContact CE1-CD2 4.35Å; F324-F381 HydrophobicContact CE1-CE1 4.11Å; F324-F381 HydrophobicContact CE1-CE2 4.5Å; F324-F381 HydrophobicContact CE1-CG 4.07Å; F324-F381 HydrophobicContact CE1-CZ 4.35Å; F324-F381 HydrophobicContact CZ-CD1 4.3Å; F324-F381 AromaticContact CZ-CD2 3.84Å; F324-F381 HydrophobicContact CZ-CD2 3.84Å; F324-F381 HydrophobicContact CZ-CE1 4.34Å; F324-F381 AromaticContact CZ-CE2 3.93Å; F324-F381 HydrophobicContact CZ-CE2 3.93Å; F324-F381 HydrophobicContact CZ-CG 4.01Å; F324-F381 HydrophobicContact CZ-CZ 4.14Å; T334-F381 HydrophobicContact CG2-CB 4.34Å; T334-F381 HydrophobicContact CG2-CD1 3.51Å; T334-F381 HydrophobicContact CG2-CE1 4.23Å; T334-F381 HydrophobicContact CG2-CG 4.36Å; P336-F381 HydrophobicContact CB-CD1 4.35Å; P336-F381 HydrophobicContact CB-CE1 3.63Å; P336-F381 HydrophobicContact CB-CZ 3.77Å; P336-F381 HydrophobicContact CG-CE1 4.5Å; L353-F381 HydrophobicContact CD1-CE1 4.35Å; L353-F381 HydrophobicContact CD1-CZ 3.81Å; L379-F381 HydrophobicContact CB-CE2 3.82Å; L379-F381 HydrophobicContact CB-CZ 4.47Å; F381-M384 HydrophobicContact CB-CG 3.66Å; F381-M384 HydrophobicContact CB-SD 4.3Å; F381-M384 VanDerWaalsContact O-CG 3.26Å; F381-M384 WeakPolarHBondContact O-CG 3.43Å
382D95.2Very high92.9Very high65 Ų6540 Ų4035%0.34821%0.213SC..SBendtrans-78164.9174.2-80.3-21.2000112.3T282 M384T282-D382 WeakPolarHBondContact CG2-OD1 3.17Å; T282-D382 PolarHBondContact OG1-OD1 2.92Å; D382-M384 VanDerWaalsContact C-N 3.27Å; D382-M384 PolarHBondContact O-N 2.92Å
383N94.4Very high92.1Very high97 Ų9737.3 Ų37.352%0.51920%0.204SC..SBendtrans61.529.4177.7-55.9-43.6000114.8S278 S279 F281 G385S278-N383 CarbonylContact O-C 3.55Å; S278-N383 WeakPolarHBondContact O-CA 3.45Å; S278-N383 PolarHBondContact OG-O 3.46Å; S279-N383 VanDerWaalsContact CA-OD1 3.25Å; S279-N383 WeakPolarHBondContact CA-OD1 3.12Å; S279-N383 WeakPolarHBondContact CB-OD1 3.33Å; F281-N383 PolarHBondContact O-N 2.95Å; N383-G385 VanDerWaalsContact C-N 3.33Å; N383-G385 PolarHBondContact O-N 2.81Å
384M95.5Very high91.1Very high9 Ų941 Ų414%0.04423%0.234CC..THydrogen-bonded Turntrans-93.227.7-174.4-70.1-63.9-64.900113.2F41 S278 F281 L283 S323 F324 T334 F381 D382 S388F41-M384 HydrophobicContact CE1-CB 3.82Å; F41-M384 VanDerWaalsContact CE1-O 3.26Å; F41-M384 WeakPolarHBondContact CE1-O 3.27Å; S278-M384 PolarHBondContact O-N 2.92Å; F281-M384 PolarHBondContact O-N 3.12Å; L283-M384 HydrophobicContact CB-CB 3.91Å; L283-M384 HydrophobicContact CB-CG 3.94Å; L283-M384 HydrophobicContact CD2-CE 3.87Å; S323-M384 WeakPolarHBondContact O-CE 3.31Å; F324-M384 HydrophobicContact CD1-CE 3.61Å; F324-M384 HydrophobicContact CD1-SD 4.37Å; F324-M384 HydrophobicContact CE1-CE 3.56Å; F324-M384 HydrophobicContact CE1-SD 4.1Å; F324-M384 HydrophobicContact CG-CE 4.15Å; F324-M384 HydrophobicContact CZ-CE 4.05Å; T334-M384 HydrophobicContact CG2-SD 3.83Å; F381-M384 HydrophobicContact CB-CG 3.66Å; F381-M384 HydrophobicContact CB-SD 4.3Å; F381-M384 VanDerWaalsContact O-CG 3.26Å; F381-M384 WeakPolarHBondContact O-CG 3.43Å; D382-M384 VanDerWaalsContact C-N 3.27Å; D382-M384 PolarHBondContact O-N 2.92Å; M384-S388 WeakPolarHBondContact O-CB 3.48Å; M384-S388 PolarHBondContact O-OG 2.8Å
385G95.1Very high90Very high0 Ų044.1 Ų44.10%024%0.244CC..THydrogen-bonded Turntrans-95.8-12.5-17600000116.9N71 V277 S278 N383N71-G385 PolarHBondContact ND2-O 3.27Å; V277-G385 VanDerWaalsContact CG2-O 3.29Å; V277-G385 WeakPolarHBondContact CG2-O 3.19Å; V277-G385 WeakPolarHBondContact O-CA 3.49Å; S278-G385 PolarHBondContact O-N 2.9Å; N383-G385 VanDerWaalsContact C-N 3.33Å; N383-G385 PolarHBondContact O-N 2.81Å
386A93Very high88.8Confident15 Ų1541.3 Ų41.312%0.12423%0.225CC..SBendtrans-107.9132.7179.700000110.4V277 S388V277-A386 HydrophobicContact CG2-CB 4.23Å; A386-S388 PolarHBondContact O-N 3.07Å
387D90.8Very high88Confident41 Ų4146.7 Ų46.722%0.21925%0.252CS..SBendtrans54.535.3175.5-60.5-73.5000113.7C70 H390C70-D387 PolarHBondContact O-N 3.39Å; D387-H390 PolarHBondContact O-NE2 3.26Å; D387-H390 VanDerWaalsContact O-NE2 3.12Å
388S91.4Very high86.8Confident4 Ų452.8 Ų52.83%0.02828%0.278CS..  trans-123.4-14179.957.50000113.6S323 M384 A386 H390S323-S388 WeakPolarHBondContact CA-O 3.22Å; S323-S388 WeakPolarHBondContact O-CA 3.26Å; S323-S388 WeakPolarHBondContact O-CB 3.19Å; M384-S388 WeakPolarHBondContact O-CB 3.48Å; M384-S388 PolarHBondContact O-OG 2.8Å; A386-S388 PolarHBondContact O-N 3.07Å; S388-H390 PolarHBondContact O-N 3.24Å
389F90.1Very high85.9Confident27 Ų2758 Ų5812%0.11830%0.303CS..  trans-96.783.6-177.8-75.1-108.6000110.8F41 N71 A73 F281 I403F41-F389 HydrophobicContact CB-CZ 4.25Å; F41-F389 HydrophobicContact CD1-CE2 4.13Å; F41-F389 AromaticContact CD1-CZ 3.92Å; F41-F389 HydrophobicContact CD1-CZ 3.92Å; F41-F389 HydrophobicContact CD2-CE1 4.24Å; F41-F389 HydrophobicContact CD2-CE2 4.42Å; F41-F389 AromaticContact CD2-CZ 3.87Å; F41-F389 HydrophobicContact CD2-CZ 3.87Å; F41-F389 AromaticContact CE1-CE2 3.93Å; F41-F389 HydrophobicContact CE1-CE2 3.93Å; F41-F389 HydrophobicContact CE1-CZ 4.15Å; F41-F389 HydrophobicContact CE2-CE2 4.26Å; F41-F389 HydrophobicContact CE2-CZ 4.14Å; F41-F389 HydrophobicContact CG-CE1 4.45Å; F41-F389 HydrophobicContact CG-CE2 4.36Å; F41-F389 AromaticContact CG-CZ 3.75Å; F41-F389 HydrophobicContact CG-CZ 3.75Å; F41-F389 HydrophobicContact CZ-CE2 4.01Å; F41-F389 HydrophobicContact CZ-CZ 4.27Å; N71-F389 WeakPolarHBondContact ND2-CD2 3.39Å; N71-F389 WeakPolarHBondContact ND2-CE2 3.47Å; N71-F389 WeakPolarHBondContact OD1-CG 3.39Å; A73-F389 HydrophobicContact CB-CD1 4.19Å; F281-F389 HydrophobicContact CB-CE2 4.48Å; F281-F389 HydrophobicContact CD1-CE1 4.42Å; F281-F389 AromaticContact CD1-CE2 3.98Å; F281-F389 HydrophobicContact CD1-CE2 3.98Å; F281-F389 AromaticContact CD1-CZ 3.43Å; F281-F389 HydrophobicContact CD1-CZ 3.43Å; F281-F389 VanDerWaalsContact CD1-CZ 3.43Å; F281-F389 HydrophobicContact CD2-CE2 4.48Å; F281-F389 HydrophobicContact CE1-CE1 4.17Å; F281-F389 HydrophobicContact CE1-CE2 4.31Å; F281-F389 AromaticContact CE1-CZ 3.57Å; F281-F389 HydrophobicContact CE1-CZ 3.57Å; F281-F389 HydrophobicContact CG-CE2 4.07Å; F281-F389 HydrophobicContact CG-CZ 4Å; F281-F389 HydrophobicContact CZ-CZ 4.26Å; F389-I403 HydrophobicContact CD1-CD1 3.9Å; F389-I403 HydrophobicContact CE1-CD1 3.51Å; F389-I403 HydrophobicContact CE1-CG1 3.81Å; F389-I403 HydrophobicContact CE1-CG2 4.3Å
390H85.6Confident85.3Confident73 Ų7364.6 Ų64.634%0.33833%0.328SS..PPolyproline II helixtrans-95.6161.2179.5-61.8-70000113G322 A325 D387 S388 R400G322-H390 PolarHBondContact O-CD2 3.48Å; A325-H390 WeakPolarHBondContact CB-NE2 3.41Å; D387-H390 PolarHBondContact O-NE2 3.26Å; D387-H390 VanDerWaalsContact O-NE2 3.12Å; S388-H390 PolarHBondContact O-N 3.24Å; H390-R400 WeakPolarHBondContact O-CD 3.48Å; H390-R400 PolarHBondContact O-NH1 2.87Å
391E78.3Confident85.1Confident142 Ų14265.1 Ų65.166%0.66433%0.332SS*.PPolyproline II helixtrans-71.4149.1170.4-68.8-177176.900110.4S393E391-S393 PolarHBondContact O-N 3.33Å
392P77.2Confident85Confident50 Ų5066.8 Ų66.833%0.32535%0.346SS..PPolyproline II helixtrans-59.9135.7173.7-10.624.5000109.5F398 R400P392-F398 HydrophobicContact CB-CB 4.16Å; P392-F398 HydrophobicContact CB-CD1 4.21Å; P392-R400 HydrophobicContact CB-CG 4.33Å; P392-R400 VanDerWaalsContact CD-CZ 3.47Å; P392-R400 HydrophobicContact CG-CG 4.06Å
393S77.1Confident85Confident36 Ų3666.6 Ų66.625%0.25234%0.344SS..  trans-135.2168.1-177.479.10000110.9E391 F395 N396 D397 F398E391-S393 PolarHBondContact O-N 3.33Å; S393-F395 PolarHBondContact O-N 2.91Å; S393-F395 PolarHBondContact OG-N 3.36Å; S393-N396 PolarHBondContact N-OD1 3.49Å; S393-N396 PolarHBondContact O-N 2.89Å; S393-N396 PolarHBondContact O-OD1 3.49Å; S393-D397 PolarHBondContact O-N 3.27Å; S393-F398 PolarHBondContact O-N 3.28Å
394A75.1Confident85.1Confident78 Ų7864.7 Ų64.765%0.64533%0.33SS*.G310 helixtrans-62.3-22.4172.600000112.6F398A394-F398 HydrophobicContact CB-CE2 4.27Å; A394-F398 HydrophobicContact CB-CZ 4.27Å
395F72.4Confident85.2Confident158 Ų15865.4 Ų65.469%0.69333%0.333SS*.G310 helixtrans-74.6-25.1-179.7-68.9-77.9000113.4Y321 S393Y321-F395 HydrophobicContact CD1-CB 4.37Å; Y321-F395 HydrophobicContact CD1-CD1 4.41Å; Y321-F395 HydrophobicContact CD1-CG 4.48Å; Y321-F395 HydrophobicContact CG-CB 4.28Å; S393-F395 PolarHBondContact O-N 2.91Å; S393-F395 PolarHBondContact OG-N 3.36Å
396N71.9Confident85.2Confident33 Ų3365.9 Ų65.918%0.17634%0.335CS..G310 helixtrans-112.123.9176.46411.3000112.5S393 F398 Q399S393-N396 PolarHBondContact N-OD1 3.49Å; S393-N396 PolarHBondContact O-N 2.89Å; S393-N396 PolarHBondContact O-OD1 3.49Å; N396-F398 PolarHBondContact O-N 2.81Å; N396-F398 VanDerWaalsContact O-N 3.08Å; N396-F398 PolarHBondContact OD1-N 2.93Å; N396-Q399 PolarHBondContact ND2-O 3.26Å; N396-Q399 PolarHBondContact O-N 2.87Å
397D78.4Confident85.4Confident124 Ų12465.1 Ų65.166%0.66333%0.329SS*.THydrogen-bonded Turntrans50.634-178.2-16126.7000113.5S393 Q399S393-D397 PolarHBondContact O-N 3.27Å; D397-Q399 PolarHBondContact O-N 2.8Å
398F71.6Confident85.6Confident134 Ų13464.4 Ų64.459%0.58833%0.327SS*.THydrogen-bonded Turntrans56.118-175.7-57.2-90.6000114.8P392 S393 A394 N396P392-F398 HydrophobicContact CB-CB 4.16Å; P392-F398 HydrophobicContact CB-CD1 4.21Å; S393-F398 PolarHBondContact O-N 3.28Å; A394-F398 HydrophobicContact CB-CE2 4.27Å; A394-F398 HydrophobicContact CB-CZ 4.27Å; N396-F398 PolarHBondContact O-N 2.81Å; N396-F398 VanDerWaalsContact O-N 3.08Å; N396-F398 PolarHBondContact OD1-N 2.93Å
399Q79.8Confident85.7Confident118 Ų11868 Ų6855%0.55134%0.342SS*.  trans-87.5144.7173.6-62.5-60.2-51.500110.5N396 D397N396-Q399 PolarHBondContact ND2-O 3.26Å; N396-Q399 PolarHBondContact O-N 2.87Å; D397-Q399 PolarHBondContact O-N 2.8Å
400R85.1Confident85.8Confident139 Ų13969.9 Ų69.953%0.52536%0.359SS..  trans-136146.6167.8-69.4-162.4-69.9-177.5-8.3110.3H390 P392H390-R400 WeakPolarHBondContact O-CD 3.48Å; H390-R400 PolarHBondContact O-NH1 2.87Å; P392-R400 HydrophobicContact CB-CG 4.33Å; P392-R400 VanDerWaalsContact CD-CZ 3.47Å; P392-R400 HydrophobicContact CG-CG 4.06Å
401P93.3Very high86.2Confident24 Ų2466.6 Ų66.616%0.15634%0.344CS..  trans-55.7141.4170.7-24.634.5000111.2A39 F41 L283 D318A39-P401 HydrophobicContact CB-CB 4.15Å; A39-P401 HydrophobicContact CB-CG 4.05Å; A39-P401 WeakPolarHBondContact O-CA 3.44Å; A39-P401 WeakPolarHBondContact O-CB 3.38Å; F41-P401 HydrophobicContact CD2-CB 3.81Å; F41-P401 HydrophobicContact CD2-CG 4.31Å; F41-P401 HydrophobicContact CE2-CB 4.07Å; F41-P401 HydrophobicContact CE2-CG 4.05Å; L283-P401 HydrophobicContact CD1-CB 4.32Å; L283-P401 HydrophobicContact CD1-CG 4.26Å; D318-P401 WeakPolarHBondContact OD2-CG 3.5Å
402A93.8Very high87Confident35 Ų3562.5 Ų62.529%0.28932%0.322SS..EExtended strand (participates in β ladder)trans-62.9153.4169.800000109.8A39 F40 F41 Y404A39-A402 PolarHBondContact O-N 2.89Å; F40-A402 CarbonylContact C-O 3.57Å; F40-A402 WeakPolarHBondContact CA-O 3.07Å; F40-A402 HydrophobicContact CB-CB 4.2Å; F41-A402 PolarHBondContact N-O 3.31Å; A402-Y404 HydrophobicContact CB-CE2 3.76Å
403I95.6Very high87.7Confident62 Ų6266.3 Ų66.332%0.31833%0.331SS..EExtended strand (participates in β ladder)trans-122.9118.1179.5-52.1158.9000108.3F41 F281 F389 Y405F41-I403 HydrophobicContact CB-CG1 4.4Å; F41-I403 HydrophobicContact CB-CG2 4.33Å; F281-I403 HydrophobicContact CE1-CG2 4.34Å; F389-I403 HydrophobicContact CD1-CD1 3.9Å; F389-I403 HydrophobicContact CE1-CD1 3.51Å; F389-I403 HydrophobicContact CE1-CG1 3.81Å; F389-I403 HydrophobicContact CE1-CG2 4.3Å; I403-Y405 HydrophobicContact CG2-CD1 4.31Å; I403-Y405 HydrophobicContact CG2-CE1 3.66Å; I403-Y405 HydrophobicContact CG2-CE2 4.01Å; I403-Y405 VanDerWaalsContact CG2-CZ 3.48Å
404Y96.4Very high88.4Confident57 Ų5769.7 Ų69.722%0.22434%0.343CS..EExtended strand (participates in β ladder)trans-109.5127176.1-58.6-73.1000109.5Y28 H32 F40 F41 V42 G43 A402Y28-Y404 HydrophobicContact CD1-CD1 4.25Å; Y28-Y404 HydrophobicContact CD1-CD2 4.04Å; Y28-Y404 HydrophobicContact CD1-CE1 4.17Å; Y28-Y404 AromaticContact CD1-CE2 3.94Å; Y28-Y404 HydrophobicContact CD1-CE2 3.94Å; Y28-Y404 HydrophobicContact CD1-CG 4.19Å; Y28-Y404 HydrophobicContact CD2-CD2 4.01Å; Y28-Y404 HydrophobicContact CD2-CG 4.1Å; Y28-Y404 AromaticContact CE1-CD1 3.52Å; Y28-Y404 HydrophobicContact CE1-CD1 3.52Å; Y28-Y404 HydrophobicContact CE1-CD2 4.08Å; Y28-Y404 AromaticContact CE1-CE1 3.64Å; Y28-Y404 HydrophobicContact CE1-CE1 3.64Å; Y28-Y404 HydrophobicContact CE1-CE2 4.18Å; Y28-Y404 AromaticContact CE1-CG 3.76Å; Y28-Y404 HydrophobicContact CE1-CG 3.76Å; Y28-Y404 AromaticContact CE1-CZ 3.99Å; Y28-Y404 HydrophobicContact CE2-CD1 4.14Å; Y28-Y404 HydrophobicContact CE2-CD2 4.06Å; Y28-Y404 AromaticContact CE2-CG 3.64Å; Y28-Y404 HydrophobicContact CE2-CG 3.64Å; Y28-Y404 HydrophobicContact CG-CD2 4.01Å; Y28-Y404 HydrophobicContact CG-CE2 4.2Å; Y28-Y404 HydrophobicContact CG-CG 4.35Å; Y28-Y404 AromaticContact CZ-CD1 3.45Å; Y28-Y404 VanDerWaalsContact CZ-CD1 3.45Å; Y28-Y404 AromaticContact CZ-CG 3.46Å; Y28-Y404 VanDerWaalsContact CZ-CG 3.46Å; Y28-Y404 WeakPolarHBondContact OH-CD1 3.37Å; H32-Y404 AromaticContact CE1-CE2 3.42Å; H32-Y404 VanDerWaalsContact CE1-CE2 3.42Å; H32-Y404 WeakPolarHBondContact CE1-CE2 3.38Å; H32-Y404 AromaticContact CE1-CZ 3.53Å; H32-Y404 PolarHBondContact CE1-OH 3.38Å; H32-Y404 AromaticContact NE2-CE2 3.67Å; H32-Y404 AromaticContact NE2-CZ 3.77Å; H32-Y404 PolarHBondContact NE2-OH 2.86Å; F40-Y404 HydrophobicContact CB-CD2 4.1Å; F40-Y404 HydrophobicContact CB-CE2 3.77Å; F40-Y404 HydrophobicContact CD2-CD2 4.04Å; F40-Y404 HydrophobicContact CD2-CE2 4.27Å; F40-Y404 HydrophobicContact CG-CD2 4.34Å; F40-Y404 HydrophobicContact CG-CE2 4.13Å; F41-Y404 PolarHBondContact O-N 3.14Å; V42-Y404 CarbonylContact C-O 3.26Å; V42-Y404 WeakPolarHBondContact CA-O 3.5Å; G43-Y404 PolarHBondContact N-O 3.46Å; A402-Y404 HydrophobicContact CB-CE2 3.76Å
405Y97Very high89.3Confident23 Ų2366 Ų669%0.0931%0.313CS..EExtended strand (participates in β ladder)trans-99.3138.8179.1-60.9-69.6000111Y10 V12 G13 G43 L45 A75 F281 I403Y10-Y405 HydrophobicContact CD1-CE2 4.39Å; V12-Y405 WeakPolarHBondContact CA-O 3.39Å; G13-Y405 PolarHBondContact N-O 2.94Å; G43-Y405 WeakPolarHBondContact O-CA 3.44Å; L45-Y405 HydrophobicContact CD1-CD1 4.16Å; L45-Y405 HydrophobicContact CD1-CG 4.17Å; L45-Y405 HydrophobicContact CD2-CD1 3.8Å; L45-Y405 HydrophobicContact CD2-CE1 4.18Å; L45-Y405 HydrophobicContact CG-CD1 3.94Å; L45-Y405 HydrophobicContact CG-CG 4.39Å; A75-Y405 HydrophobicContact CB-CD2 4.44Å; A75-Y405 HydrophobicContact CB-CE1 4.07Å; A75-Y405 HydrophobicContact CB-CE2 3.75Å; F281-Y405 HydrophobicContact CE1-CE1 4Å; F281-Y405 HydrophobicContact CZ-CE1 4.25Å; I403-Y405 HydrophobicContact CG2-CD1 4.31Å; I403-Y405 HydrophobicContact CG2-CE1 3.66Å; I403-Y405 HydrophobicContact CG2-CE2 4.01Å; I403-Y405 VanDerWaalsContact CG2-CZ 3.48Å
406M95.8Very high90.2Very high10 Ų1061.8 Ų61.85%0.04930%0.295CS..EExtended strand (participates in β ladder)trans-131.6161172.559.2155.6-80.400111G13 L15 L21 V24 V42 G43 D44 L45G13-M406 WeakPolarHBondContact O-CA 3.28Å; L15-M406 HydrophobicContact CD1-CE 3.2Å; L15-M406 HydrophobicContact CD1-SD 3.71Å; L15-M406 HydrophobicContact CG-CB 4.49Å; L15-M406 HydrophobicContact CG-CE 3.95Å; L21-M406 HydrophobicContact CB-SD 4.45Å; L21-M406 HydrophobicContact CD1-SD 3.79Å; V24-M406 HydrophobicContact CG2-SD 3.99Å; V42-M406 HydrophobicContact CG1-CG 3.88Å; V42-M406 HydrophobicContact CG1-SD 4.08Å; G43-M406 PolarHBondContact O-N 2.95Å; D44-M406 HydrophobicContact CB-CE 4.35Å; D44-M406 HydrophobicContact CB-CG 4.4Å; L45-M406 PolarHBondContact N-O 2.99Å
407M95.9Very high91.1Very high0 Ų065.4 Ų65.40%031%0.314CS..EExtended strand (participates in β ladder)trans-154.2147.1173.3-170.9176-73.300108.5V12 G13 L14 L15 L45 I79 D411 W412 M415 F431V12-M407 HydrophobicContact CG1-CB 3.88Å; G13-M407 PolarHBondContact O-N 3.1Å; L14-M407 CarbonylContact C-O 3.6Å; L14-M407 VanDerWaalsContact CA-O 3.3Å; L14-M407 WeakPolarHBondContact CA-O 2.88Å; L14-M407 HydrophobicContact CD2-CB 4.29Å; L15-M407 PolarHBondContact N-O 3.44Å; L45-M407 HydrophobicContact CB-CE 3.44Å; L45-M407 VanDerWaalsContact CB-CE 3.44Å; I79-M407 HydrophobicContact CD1-CE 4.09Å; M407-D411 HydrophobicContact CG-CB 3.96Å; M407-D411 HydrophobicContact SD-CB 4.46Å; M407-W412 HydrophobicContact CG-CB 4.4Å; M407-W412 HydrophobicContact SD-CB 3.85Å; M407-M415 HydrophobicContact CE-SD 3.57Å; M407-M415 VanDerWaalsContact CE-SD 3.57Å; M407-M415 HydrophobicContact SD-SD 3.72Å; M407-F431 HydrophobicContact CE-CE1 4.12Å; M407-F431 HydrophobicContact SD-CE1 4.05Å
408S95.1Very high91.6Very high26 Ų2662.9 Ų62.918%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-72.9152.2171.669.80000111.1S410 D411 W412S408-S410 PolarHBondContact O-N 3.2Å; S408-S410 PolarHBondContact OG-OG 3.11Å; S408-D411 PolarHBondContact O-N 2.94Å; S408-D411 WeakPolarHBondContact OG-CB 3.32Å; S408-D411 PolarHBondContact OG-N 2.95Å; S408-D411 VanDerWaalsContact OG-N 3.13Å; S408-D411 PolarHBondContact OG-OD1 2.98Å; S408-D411 PolarHBondContact OG-OD2 3.34Å; S408-W412 PolarHBondContact O-N 3.03Å; S408-W412 VanDerWaalsContact O-N 3.11Å
409F93.6Very high92.5Very high78 Ų7858 Ų5834%0.34230%0.299SS..Hα-helixtrans-58.2-35.2173-91.6-70.4000112.5L14 L15 D16 W412 Y413 P433L14-F409 HydrophobicContact CB-CD1 4.14Å; L14-F409 HydrophobicContact CB-CD2 4.19Å; L14-F409 HydrophobicContact CB-CE1 3.82Å; L14-F409 HydrophobicContact CB-CE2 3.86Å; L14-F409 HydrophobicContact CB-CG 4.31Å; L14-F409 HydrophobicContact CB-CZ 3.67Å; L14-F409 HydrophobicContact CD1-CD1 3.91Å; L14-F409 HydrophobicContact CD1-CE1 3.46Å; L14-F409 VanDerWaalsContact CD1-CE1 3.46Å; L14-F409 HydrophobicContact CD1-CZ 4.04Å; L14-F409 HydrophobicContact CG-CE1 4.28Å; L15-F409 VanDerWaalsContact O-CD2 3.22Å; L15-F409 WeakPolarHBondContact O-CD2 3.43Å; L15-F409 PolarHBondContact O-N 2.67Å; D16-F409 HydrophobicContact CB-CD2 4.33Å; F409-W412 HydrophobicContact CD1-CE3 4.09Å; F409-W412 HydrophobicContact CD1-CZ3 4.28Å; F409-W412 HydrophobicContact CE1-CZ3 4.48Å; F409-Y413 VanDerWaalsContact O-CB 3.31Å; F409-Y413 WeakPolarHBondContact O-CB 3.3Å; F409-Y413 PolarHBondContact O-N 2.92Å; F409-P433 HydrophobicContact CZ-CB 4.14Å; F409-P433 HydrophobicContact CZ-CG 4.25Å
410S93.1Very high93Very high68 Ų6853.7 Ų53.748%0.47628%0.279SS..Hα-helixtrans-64.6-46.9177.956.20000111.9S408 W412 Y413 E414S408-S410 PolarHBondContact O-N 3.2Å; S408-S410 PolarHBondContact OG-OG 3.11Å; S410-W412 VanDerWaalsContact C-N 3.33Å; S410-W412 PolarHBondContact O-N 3.16Å; S410-Y413 PolarHBondContact O-N 3.23Å; S410-E414 WeakPolarHBondContact O-CG 3.43Å; S410-E414 PolarHBondContact O-N 3.13Å
411D94.4Very high93.1Very high3 Ų349.1 Ų49.12%0.01627%0.266CS..Hα-helixtrans-67.3-38.8-178-59-20.2000110.9K50 M407 S408 E414 M415K50-D411 WeakPolarHBondContact CE-OD1 3.43Å; K50-D411 IonicContact NZ-OD1 3.54Å; K50-D411 PolarHBondContact NZ-OD1 2.93Å; K50-D411 IonicContact NZ-OD2 3.71Å; K50-D411 PolarHBondContact NZ-OD2 3.33Å; M407-D411 HydrophobicContact CG-CB 3.96Å; M407-D411 HydrophobicContact SD-CB 4.46Å; S408-D411 PolarHBondContact O-N 2.94Å; S408-D411 WeakPolarHBondContact OG-CB 3.32Å; S408-D411 PolarHBondContact OG-N 2.95Å; S408-D411 VanDerWaalsContact OG-N 3.13Å; S408-D411 PolarHBondContact OG-OD1 2.98Å; S408-D411 PolarHBondContact OG-OD2 3.34Å; D411-E414 PolarHBondContact O-N 3.2Å; D411-M415 WeakPolarHBondContact O-CG 3.32Å; D411-M415 PolarHBondContact O-N 3.18Å
412W94Very high92.6Very high56 Ų5652.9 Ų52.921%0.21229%0.293CS..Hα-helixtrans-62.4-43.4173.9174.774.4000112L14 M407 S408 F409 S410 M415 Q416 F431L14-W412 HydrophobicContact CD1-CD2 3.91Å; L14-W412 HydrophobicContact CD1-CE3 4.13Å; L14-W412 HydrophobicContact CD1-CG 4.28Å; L14-W412 HydrophobicContact CD1-CH2 4.48Å; L14-W412 HydrophobicContact CD1-CZ2 4.25Å; L14-W412 HydrophobicContact CD1-CZ3 4.43Å; L14-W412 HydrophobicContact CD2-CB 3.73Å; L14-W412 HydrophobicContact CD2-CD2 4.27Å; L14-W412 HydrophobicContact CD2-CG 3.76Å; M407-W412 HydrophobicContact CG-CB 4.4Å; M407-W412 HydrophobicContact SD-CB 3.85Å; S408-W412 PolarHBondContact O-N 3.03Å; S408-W412 VanDerWaalsContact O-N 3.11Å; F409-W412 HydrophobicContact CD1-CE3 4.09Å; F409-W412 HydrophobicContact CD1-CZ3 4.28Å; F409-W412 HydrophobicContact CE1-CZ3 4.48Å; S410-W412 VanDerWaalsContact C-N 3.33Å; S410-W412 PolarHBondContact O-N 3.16Å; W412-M415 WeakPolarHBondContact O-CB 3.43Å; W412-M415 PolarHBondContact O-N 3.01Å; W412-Q416 HydrophobicContact CD2-CG 4.47Å; W412-Q416 VanDerWaalsContact CH2-NE2 3.27Å; W412-Q416 WeakPolarHBondContact O-CG 3.38Å; W412-Q416 PolarHBondContact O-N 2.78Å; W412-F431 AromaticContact CD1-CD1 3.59Å; W412-F431 AromaticContact CD1-CE1 3.92Å; W412-F431 AromaticContact CD1-CG 3.64Å; W412-F431 AromaticContact NE1-CD1 3.91Å; W412-F431 AromaticContact NE1-CD2 3.62Å; W412-F431 AromaticContact NE1-CG 3.44Å
413Y92.4Very high92.4Very high131 Ų13154.3 Ų54.351%0.51430%0.296SS..Hα-helixtrans-63.3-42.3176.9-174.8-94.2000111.6F409 S410 M415 Q416 D417F409-Y413 VanDerWaalsContact O-CB 3.31Å; F409-Y413 WeakPolarHBondContact O-CB 3.3Å; F409-Y413 PolarHBondContact O-N 2.92Å; S410-Y413 PolarHBondContact O-N 3.23Å; Y413-M415 VanDerWaalsContact C-N 3.34Å; Y413-M415 PolarHBondContact O-N 2.7Å; Y413-Q416 WeakPolarHBondContact O-CB 3.44Å; Y413-Q416 PolarHBondContact O-N 2.64Å; Y413-Q416 VanDerWaalsContact O-N 3.12Å; Y413-D417 WeakPolarHBondContact CE1-OD2 3.49Å; Y413-D417 PolarHBondContact O-N 2.89Å; Y413-D417 PolarHBondContact OH-OD1 2.87Å; Y413-D417 PolarHBondContact OH-OD2 3.08Å
414E92.3Very high92Very high107 Ų10755.7 Ų55.750%0.531%0.311SS..Hα-helixtrans-60-42.1173.4-72.7-179.8-170.500112.3S410 D411 Q416 D417 A418S410-E414 WeakPolarHBondContact O-CG 3.43Å; S410-E414 PolarHBondContact O-N 3.13Å; D411-E414 PolarHBondContact O-N 3.2Å; E414-Q416 VanDerWaalsContact C-N 3.29Å; E414-Q416 PolarHBondContact O-N 3.05Å; E414-D417 PolarHBondContact O-N 2.92Å; E414-A418 WeakPolarHBondContact O-CB 3.25Å; E414-A418 PolarHBondContact O-N 3.3Å
415M93.3Very high91.5Very high1 Ų155.3 Ų55.31%0.00531%0.312CS..Hα-helixtrans-63.8-33.7174.5-72.4-177.974.100112.9V49 I79 M407 D411 W412 Y413 G419 I420 T421 M426V49-M415 HydrophobicContact CG1-CG 4.01Å; V49-M415 HydrophobicContact CG2-CE 4.19Å; V49-M415 HydrophobicContact CG2-CG 4.06Å; V49-M415 HydrophobicContact CG2-SD 3.61Å; I79-M415 HydrophobicContact CD1-CE 3.92Å; I79-M415 HydrophobicContact CD1-SD 4.31Å; I79-M415 HydrophobicContact CG1-CE 4Å; M407-M415 HydrophobicContact CE-SD 3.57Å; M407-M415 VanDerWaalsContact CE-SD 3.57Å; M407-M415 HydrophobicContact SD-SD 3.72Å; D411-M415 WeakPolarHBondContact O-CG 3.32Å; D411-M415 PolarHBondContact O-N 3.18Å; W412-M415 WeakPolarHBondContact O-CB 3.43Å; W412-M415 PolarHBondContact O-N 3.01Å; Y413-M415 VanDerWaalsContact C-N 3.34Å; Y413-M415 PolarHBondContact O-N 2.7Å; M415-G419 PolarHBondContact O-N 2.79Å; M415-I420 HydrophobicContact CE-CB 4.43Å; M415-I420 HydrophobicContact CE-CG2 3.8Å; M415-I420 WeakPolarHBondContact O-CB 3.3Å; M415-I420 PolarHBondContact O-N 3.27Å; M415-T421 HydrophobicContact CB-CG2 3.95Å; M415-M426 HydrophobicContact CE-CE 3.86Å
416Q91.3Very high91.2Very high69 Ų6954.6 Ų54.632%0.32231%0.309SS..Hα-helixtrans-69-47.7175.2-73.2-172.5-23.800111.9W412 Y413 E414 A418 G419 T421W412-Q416 HydrophobicContact CD2-CG 4.47Å; W412-Q416 VanDerWaalsContact CH2-NE2 3.27Å; W412-Q416 WeakPolarHBondContact O-CG 3.38Å; W412-Q416 PolarHBondContact O-N 2.78Å; Y413-Q416 WeakPolarHBondContact O-CB 3.44Å; Y413-Q416 PolarHBondContact O-N 2.64Å; Y413-Q416 VanDerWaalsContact O-N 3.12Å; E414-Q416 VanDerWaalsContact C-N 3.29Å; E414-Q416 PolarHBondContact O-N 3.05Å; Q416-A418 PolarHBondContact O-N 2.82Å; Q416-G419 WeakPolarHBondContact O-CA 3.22Å; Q416-G419 PolarHBondContact O-N 3.34Å; Q416-T421 HydrophobicContact CG-CG2 3.69Å; Q416-T421 WeakPolarHBondContact CG-OG1 3.33Å
417D90.6Very high90.9Very high109 Ų10961.6 Ų61.658%0.58334%0.34SS*.Hα-helixtrans-63.1-33.6178.8-82.41.2000111.6Y413 E414 G419Y413-D417 WeakPolarHBondContact CE1-OD2 3.49Å; Y413-D417 PolarHBondContact O-N 2.89Å; Y413-D417 PolarHBondContact OH-OD1 2.87Å; Y413-D417 PolarHBondContact OH-OD2 3.08Å; E414-D417 PolarHBondContact O-N 2.92Å; D417-G419 PolarHBondContact O-N 2.83Å
418A90.2Very high90.7Very high71 Ų7163 Ų6359%0.58735%0.347SS*.THydrogen-bonded Turntrans-73.8-5.2171.700000114.1E414 Q416 I420E414-A418 WeakPolarHBondContact O-CB 3.25Å; E414-A418 PolarHBondContact O-N 3.3Å; Q416-A418 PolarHBondContact O-N 2.82Å; A418-I420 VanDerWaalsContact C-N 3.26Å; A418-I420 HydrophobicContact CB-CD1 3.9Å; A418-I420 HydrophobicContact CB-CG1 3.95Å; A418-I420 PolarHBondContact O-N 3.38Å
419G90.1Very high90.6Very high32 Ų3262.4 Ų62.433%0.3334%0.341SS..THydrogen-bonded Turntrans76.82.5-179.800000115.3M415 Q416 D417 T421 S422M415-G419 PolarHBondContact O-N 2.79Å; Q416-G419 WeakPolarHBondContact O-CA 3.22Å; Q416-G419 PolarHBondContact O-N 3.34Å; D417-G419 PolarHBondContact O-N 2.83Å; G419-T421 PolarHBondContact O-N 3.32Å; G419-S422 PolarHBondContact O-N 2.8Å; G419-S422 PolarHBondContact O-OG 3.3Å
420I90.7Very high90.6Very high27 Ų2763.3 Ų63.314%0.13835%0.345CS..G310 helixtrans-65.6-40.2-173.5-59.3170.2000111.2A82 L83 M415 A418 S422 D423 M426A82-I420 HydrophobicContact CB-CG2 3.85Å; L83-I420 HydrophobicContact CD2-CD1 3.63Å; M415-I420 HydrophobicContact CE-CB 4.43Å; M415-I420 HydrophobicContact CE-CG2 3.8Å; M415-I420 WeakPolarHBondContact O-CB 3.3Å; M415-I420 PolarHBondContact O-N 3.27Å; A418-I420 VanDerWaalsContact C-N 3.26Å; A418-I420 HydrophobicContact CB-CD1 3.9Å; A418-I420 HydrophobicContact CB-CG1 3.95Å; A418-I420 PolarHBondContact O-N 3.38Å; I420-S422 PolarHBondContact O-N 3.36Å; I420-S422 VanDerWaalsContact O-N 3.16Å; I420-D423 VanDerWaalsContact O-CB 3.24Å; I420-D423 WeakPolarHBondContact O-CB 3.42Å; I420-D423 PolarHBondContact O-N 3.48Å; I420-M426 HydrophobicContact CG2-CG 4.41Å; I420-M426 WeakPolarHBondContact O-CG 3.44Å
421T85.8Confident90.5Very high42 Ų4262.2 Ų62.226%0.25833%0.332SS..G310 helixtrans-65-18.5-179.858.20000114.1M415 Q416 G419M415-T421 HydrophobicContact CB-CG2 3.95Å; Q416-T421 HydrophobicContact CG-CG2 3.69Å; Q416-T421 WeakPolarHBondContact CG-OG1 3.33Å; G419-T421 PolarHBondContact O-N 3.32Å
422S83.7Confident90.3Very high103 Ų10365.2 Ų65.272%0.7235%0.35SS*.G310 helixtrans-88.7-6.1176.372.30000113.5G419 I420G419-S422 PolarHBondContact O-N 2.8Å; G419-S422 PolarHBondContact O-OG 3.3Å; I420-S422 PolarHBondContact O-N 3.36Å; I420-S422 VanDerWaalsContact O-N 3.16Å
423D88.3Confident89.9Confident65 Ų6566.6 Ų66.635%0.34837%0.366SS..SBendtrans-66.9139.2176.9-163.6-63.7000110.7I420 M425 M426I420-D423 VanDerWaalsContact O-CB 3.24Å; I420-D423 WeakPolarHBondContact O-CB 3.42Å; I420-D423 PolarHBondContact O-N 3.48Å; D423-M425 PolarHBondContact O-N 3.14Å; D423-M425 VanDerWaalsContact O-N 3.13Å; D423-M425 VanDerWaalsContact OD1-CB 3.28Å; D423-M425 WeakPolarHBondContact OD1-CB 3.07Å; D423-M425 WeakPolarHBondContact OD1-CG 3.28Å; D423-M425 PolarHBondContact OD1-N 3.18Å; D423-M426 PolarHBondContact O-N 2.94Å
424S87.8Confident89.2Confident91 Ų9162.2 Ų62.264%0.63636%0.355SS*.G310 helixtrans-57.8-23.5175.460.30000114.3M426 K427S424-M426 PolarHBondContact O-N 2.65Å; S424-K427 WeakPolarHBondContact O-CB 3.12Å; S424-K427 WeakPolarHBondContact O-CD 3.39Å; S424-K427 VanDerWaalsContact O-CG 3.31Å; S424-K427 WeakPolarHBondContact O-CG 3.2Å; S424-K427 PolarHBondContact O-N 2.8Å
425M87.1Confident87.8Confident49 Ų4963 Ų6324%0.24137%0.371CS..G310 helixtrans-67.3-22.4173.9-64.3-64.5-179.100112.4A82 D423A82-M425 HydrophobicContact CB-CB 4.08Å; D423-M425 PolarHBondContact O-N 3.14Å; D423-M425 VanDerWaalsContact O-N 3.13Å; D423-M425 VanDerWaalsContact OD1-CB 3.28Å; D423-M425 WeakPolarHBondContact OD1-CB 3.07Å; D423-M425 WeakPolarHBondContact OD1-CG 3.28Å; D423-M425 PolarHBondContact OD1-N 3.18Å
426M89.8Confident86.3Confident8 Ų864.1 Ų64.14%0.03938%0.377CS..G310 helixtrans-94.27.3-179.5-65.2-62.6-66.800113.5I79 A82 M415 I420 D423 S424 N428 F429 F431I79-M426 HydrophobicContact CB-SD 4.5Å; I79-M426 HydrophobicContact CG1-CE 4.43Å; I79-M426 HydrophobicContact CG1-SD 4.45Å; A82-M426 HydrophobicContact CB-CG 3.67Å; A82-M426 HydrophobicContact CB-SD 3.6Å; M415-M426 HydrophobicContact CE-CE 3.86Å; I420-M426 HydrophobicContact CG2-CG 4.41Å; I420-M426 WeakPolarHBondContact O-CG 3.44Å; D423-M426 PolarHBondContact O-N 2.94Å; S424-M426 PolarHBondContact O-N 2.65Å; M426-N428 PolarHBondContact O-N 3.04Å; M426-F429 HydrophobicContact CB-CD2 4.33Å; M426-F429 HydrophobicContact CE-CB 4.27Å; M426-F429 HydrophobicContact CE-CD1 4.15Å; M426-F429 HydrophobicContact CE-CD2 3.52Å; M426-F429 HydrophobicContact CE-CE1 4.38Å; M426-F429 HydrophobicContact CE-CE2 3.78Å; M426-F429 HydrophobicContact CE-CG 3.72Å; M426-F429 HydrophobicContact CE-CZ 4.19Å; M426-F429 PolarHBondContact O-N 2.96Å; M426-F429 VanDerWaalsContact O-N 3.08Å; M426-F429 HydrophobicContact SD-CD2 3.86Å; M426-F429 HydrophobicContact SD-CE2 3.73Å; M426-F429 HydrophobicContact SD-CZ 4.4Å; M426-F431 HydrophobicContact CE-CE2 4.41Å; M426-F431 HydrophobicContact CE-CZ 3.99Å
427K89.3Confident84.4Confident158 Ų15869.4 Ų69.469%0.68740%0.401SS*.THydrogen-bonded Turntrans-59.9-22.1-17469.6-177.4179.9178.70114.9S424S424-K427 WeakPolarHBondContact O-CB 3.12Å; S424-K427 WeakPolarHBondContact O-CD 3.39Å; S424-K427 VanDerWaalsContact O-CG 3.31Å; S424-K427 WeakPolarHBondContact O-CG 3.2Å; S424-K427 PolarHBondContact O-N 2.8Å
428N92Very high82.1Confident28 Ų2868.8 Ų68.815%0.1540%0.398CS..THydrogen-bonded Turntrans-89.5-4.4-177.6-65-24.8000112.5N9 Y10 E78 M426 F430N9-N428 CarbonylContact C-O 3.48Å; N9-N428 WeakPolarHBondContact CA-O 2.98Å; Y10-N428 HydrophobicContact CD2-CB 3.87Å; Y10-N428 HydrophobicContact CE2-CB 3.55Å; Y10-N428 PolarHBondContact N-O 2.83Å; E78-N428 PolarHBondContact OE1-ND2 3.24Å; E78-N428 WeakPolarHBondContact OE2-CB 3.26Å; E78-N428 PolarHBondContact OE2-ND2 3.01Å; M426-N428 PolarHBondContact O-N 3.04Å; N428-F430 WeakPolarHBondContact O-CD2 3.31Å
429F92.8Very high79.7Confident15 Ų1570.5 Ų70.57%0.06641%0.405CS..EExtended strand (participates in β ladder)trans-91.9128.9-178.9-68.9-96.8000112.3Y10 V12 L45 A75 E78 I79 M426 F431Y10-F429 HydrophobicContact CD2-CD1 4.15Å; Y10-F429 HydrophobicContact CD2-CD2 4.17Å; Y10-F429 HydrophobicContact CD2-CE1 4.03Å; Y10-F429 HydrophobicContact CD2-CE2 4.05Å; Y10-F429 HydrophobicContact CD2-CG 4.23Å; Y10-F429 AromaticContact CD2-CZ 3.98Å; Y10-F429 HydrophobicContact CD2-CZ 3.98Å; Y10-F429 HydrophobicContact CE2-CE2 4.27Å; Y10-F429 HydrophobicContact CE2-CZ 4.36Å; V12-F429 HydrophobicContact CG2-CD1 3.88Å; L45-F429 HydrophobicContact CD1-CD1 4.28Å; L45-F429 HydrophobicContact CD1-CE1 3.77Å; A75-F429 HydrophobicContact CB-CE1 4.17Å; A75-F429 HydrophobicContact CB-CZ 4.19Å; A75-F429 WeakPolarHBondContact O-CZ 3.44Å; E78-F429 HydrophobicContact CB-CE2 3.69Å; E78-F429 HydrophobicContact CB-CZ 4.08Å; I79-F429 HydrophobicContact CB-CZ 4.28Å; M426-F429 HydrophobicContact CB-CD2 4.33Å; M426-F429 HydrophobicContact CE-CB 4.27Å; M426-F429 HydrophobicContact CE-CD1 4.15Å; M426-F429 HydrophobicContact CE-CD2 3.52Å; M426-F429 HydrophobicContact CE-CE1 4.38Å; M426-F429 HydrophobicContact CE-CE2 3.78Å; M426-F429 HydrophobicContact CE-CG 3.72Å; M426-F429 HydrophobicContact CE-CZ 4.19Å; M426-F429 PolarHBondContact O-N 2.96Å; M426-F429 VanDerWaalsContact O-N 3.08Å; M426-F429 HydrophobicContact SD-CD2 3.86Å; M426-F429 HydrophobicContact SD-CE2 3.73Å; M426-F429 HydrophobicContact SD-CZ 4.4Å; F429-F431 HydrophobicContact CB-CD2 4.26Å; F429-F431 HydrophobicContact CB-CE2 3.53Å; F429-F431 HydrophobicContact CB-CZ 3.8Å; F429-F431 HydrophobicContact CD1-CZ 4.21Å; F429-F431 HydrophobicContact CG-CE2 4.4Å; F429-F431 HydrophobicContact CG-CZ 4.22Å
430F92.8Very high77.1Confident97 Ų9777.5 Ų77.543%0.42543%0.429SS..EExtended strand (participates in β ladder)trans-116.999.9175.5-65.6-94.1000108.8N9 Y10 V12 N428N9-F430 HydrophobicContact CB-CD2 3.59Å; N9-F430 HydrophobicContact CB-CE2 3.33Å; N9-F430 HydrophobicContact CB-CZ 4.25Å; N9-F430 WeakPolarHBondContact OD1-CE2 3.41Å; Y10-F430 PolarHBondContact O-N 3.33Å; V12-F430 PolarHBondContact N-O 3.04Å; N428-F430 WeakPolarHBondContact O-CD2 3.31Å
431F91.1Very high74.7Confident45 Ų4584.4 Ų84.420%0.19746%0.461CS..EExtended strand (participates in β ladder)trans-84119.2177.1-58.5-85.3000109.7V12 L14 M407 W412 M426 F429V12-F431 HydrophobicContact CB-CD1 3.71Å; V12-F431 HydrophobicContact CB-CE1 4Å; V12-F431 HydrophobicContact CG1-CD1 3.87Å; V12-F431 HydrophobicContact CG1-CE1 3.99Å; V12-F431 HydrophobicContact CG2-CD1 4.24Å; V12-F431 HydrophobicContact CG2-CE1 4.08Å; L14-F431 HydrophobicContact CD1-CB 4Å; L14-F431 HydrophobicContact CD2-CB 4.17Å; L14-F431 HydrophobicContact CD2-CD1 3.91Å; L14-F431 HydrophobicContact CD2-CG 4.47Å; L14-F431 HydrophobicContact CG-CB 4.1Å; M407-F431 HydrophobicContact CE-CE1 4.12Å; M407-F431 HydrophobicContact SD-CE1 4.05Å; W412-F431 AromaticContact CD1-CD1 3.59Å; W412-F431 AromaticContact CD1-CE1 3.92Å; W412-F431 AromaticContact CD1-CG 3.64Å; W412-F431 AromaticContact NE1-CD1 3.91Å; W412-F431 AromaticContact NE1-CD2 3.62Å; W412-F431 AromaticContact NE1-CG 3.44Å; M426-F431 HydrophobicContact CE-CE2 4.41Å; M426-F431 HydrophobicContact CE-CZ 3.99Å; F429-F431 HydrophobicContact CB-CD2 4.26Å; F429-F431 HydrophobicContact CB-CE2 3.53Å; F429-F431 HydrophobicContact CB-CZ 3.8Å; F429-F431 HydrophobicContact CD1-CZ 4.21Å; F429-F431 HydrophobicContact CG-CE2 4.4Å; F429-F431 HydrophobicContact CG-CZ 4.22Å
432V91Very high72.2Confident65 Ų6588.7 Ų88.739%0.39448%0.482SS..EExtended strand (participates in β ladder)trans-126.3136.3-178.7-690000109.8V12 G13 L14 S434V12-V432 PolarHBondContact O-N 2.99Å; G13-V432 WeakPolarHBondContact CA-O 3.49Å; L14-V432 PolarHBondContact N-O 3.14Å; V432-S434 PolarHBondContact O-N 2.78Å
433P86.6Confident69.6Low85 Ų8588.5 Ų88.555%0.55248%0.481SS*.EExtended strand (participates in β ladder)trans-53.7125.3171-25.634.8000110.6F409 C435F409-P433 HydrophobicContact CZ-CB 4.14Å; F409-P433 HydrophobicContact CZ-CG 4.25Å; P433-C435 PolarHBondContact O-N 3.3Å; P433-C435 VanDerWaalsContact O-N 3.16Å
434S77.8Confident67Low40 Ų4094.4 Ų94.428%0.2850%0.504SS..  trans-69.5113.9-179.4-164.90000109.5L14 V432 I436L14-S434 VanDerWaalsContact O-CB 3.23Å; L14-S434 WeakPolarHBondContact O-CB 3.41Å; L14-S434 PolarHBondContact O-N 2.97Å; V432-S434 PolarHBondContact O-N 2.78Å; S434-I436 PolarHBondContact O-N 3.29Å; S434-I436 VanDerWaalsContact O-N 3.07Å; S434-I436 WeakPolarHBondContact OG-CD1 3.49Å; S434-I436 VanDerWaalsContact OG-CG1 3.32Å; S434-I436 WeakPolarHBondContact OG-CG1 3.05Å
435C61.7Low64.1Low122 Ų12294.9 Ų94.982%0.82451%0.507SS*.  trans-84.759.5174.2-68.60000109.8P433 Q437P433-C435 PolarHBondContact O-N 3.3Å; P433-C435 VanDerWaalsContact O-N 3.16Å; C435-Q437 PolarHBondContact O-N 3.09Å
436I62.7Low61.6Low26 Ų2697.4 Ų97.413%0.13354%0.535CS..  trans-79.9106.7171.7-68.4161.9000106.8L15 T19 V24 N27 S434 L438L15-I436 HydrophobicContact CD2-CD1 4.15Å; T19-I436 HydrophobicContact CG2-CB 4.45Å; T19-I436 HydrophobicContact CG2-CD1 3.75Å; V24-I436 HydrophobicContact CB-CD1 4.32Å; V24-I436 HydrophobicContact CG2-CD1 3.72Å; N27-I436 HydrophobicContact CB-CG1 4.47Å; N27-I436 HydrophobicContact CB-CG2 4.49Å; S434-I436 PolarHBondContact O-N 3.29Å; S434-I436 VanDerWaalsContact O-N 3.07Å; S434-I436 WeakPolarHBondContact OG-CD1 3.49Å; S434-I436 VanDerWaalsContact OG-CG1 3.32Å; S434-I436 WeakPolarHBondContact OG-CG1 3.05Å; I436-L438 PolarHBondContact O-N 3Å
437Q50.7Low58.9Low180 Ų180105.6 Ų105.684%0.84157%0.574SS**  trans-70.2100.2168.2-72.4-174.9-2100107.3C435 S439C435-Q437 PolarHBondContact O-N 3.09Å; Q437-S439 PolarHBondContact O-N 2.99Å
438L43.3Very low56.2Low96 Ų96106.7 Ų106.750%0.50361%0.612SS.*  trans-58104.9163.8-68.9168.7000106.6N23 I436 Q440N23-L438 HydrophobicContact CB-CD2 4.44Å; I436-L438 PolarHBondContact O-N 3Å; L438-Q440 PolarHBondContact O-N 3.15Å
439S38.9Very low54.4Low106 Ų106110.7 Ų110.774%0.74164%0.636SS**  trans-66.387.816857.40000107.4Q437 E441Q437-S439 PolarHBondContact O-N 2.99Å; S439-E441 PolarHBondContact O-N 3.02Å
440Q35.8Very low52.4Low180 Ų180115.7 Ų115.784%0.84167%0.666SS**  trans-63.7121.7156.1-80.8-174.1-18.900106.6L438L438-Q440 PolarHBondContact O-N 3.15Å
441E40.1Very low50.2Low171 Ų171116.7 Ų116.780%0.79968%0.679SS**  trans76.885.4172.7-54.7-176.4166.800116.8S439S439-E441 PolarHBondContact O-N 3.02Å
442D32.4Very low47.8Very low133 Ų133120.9 Ų120.971%0.71171%0.707SS**  trans-123.469.8131.7-91.9-32.3000107.7F444D442-F444 HydrophobicContact CB-CE2 4.42Å; D442-F444 PolarHBondContact O-N 3.01Å
443S29.8Very low45.1Very low98 Ų98124.4 Ų124.469%0.68573%0.727SS**  trans-61.198.1151.653.50000106.4S445S443-S445 PolarHBondContact O-N 2.95Å
444F32.8Very low42.3Very low190 Ų190127.1 Ų127.183%0.83374%0.738SS**  trans-59.495.1163.6-83.3-85.4000107.4D442 A446D442-F444 HydrophobicContact CB-CE2 4.42Å; D442-F444 PolarHBondContact O-N 3.01Å; F444-A446 PolarHBondContact O-N 3.01Å
445S26.9Very low39.8Very low100 Ų100133.3 Ų133.370%0.69977%0.771SS**  trans-60.4103.8163.854.50000106.8S443 E447S443-S445 PolarHBondContact O-N 2.95Å; S445-E447 PolarHBondContact O-N 3.06Å
446A36.2Very low38.1Very low102 Ų102134.2 Ų134.284%0.84377%0.767SS**  trans-69.384.5161.600000108F444F444-A446 PolarHBondContact O-N 3.01Å
447E32.6Very low36Very low181 Ų181143.2 Ų143.285%0.84682%0.82SS**  trans-139.194.6161.7-77.5-165.6162.900109.8S445S445-E447 PolarHBondContact O-N 3.06Å
448A32.7Very low34.7Very low181 Ų181139.8 Ų139.8100%1.49682%0.818SS**  179.40128.700000110.1

Retrieved 448 of 448 residues in 216.6 ms (Link to these results)

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