A0A087YA49_POEFO Loading...

Eukaryotic translation initiation factor 6

Binds to the 60S ribosomal subunit and prevents its association with the 40S ribosomal subunit to form the 80S initiation complex in the cytoplasm. May also be involved in ribosome biogenesis.

AlphaFold DB , UniProt , Accession A0A087YA49, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF6, Length 246 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
1M78.5Confident89.5Confident111 Ų11160.7 Ų60.755%0.54729%0.292SS..  0151.90-174179.4-67.600109W202 A204M1-W202 PolarHBondContact N-O 3.32Å; M1-A204 PolarHBondContact O-N 3.48Å
2A86.1Confident89.8Confident11 Ų1161.7 Ų61.79%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-92.2119.5171.500000111.1A204 L215 I218 E219 L224A2-A204 CarbonylContact C-O 3.41Å; A2-A204 WeakPolarHBondContact CA-O 3.33Å; A2-A204 HydrophobicContact CB-CB 4.35Å; A2-L215 HydrophobicContact CB-CD2 3.69Å; A2-I218 HydrophobicContact CB-CG2 4.32Å; A2-E219 HydrophobicContact CB-CG 3.57Å; A2-E219 PolarHBondContact N-OE1 2.76Å; A2-L224 HydrophobicContact CB-CD1 4.32Å
3V91.9Very high90.1Very high29 Ų2956.9 Ų56.918%0.17627%0.273CS..EExtended strand (participates in β ladder)trans-109.5142.3-176.2-173.30000110.2V37 E41 A204 F205 C206V3-V37 HydrophobicContact CG1-CG1 3.64Å; V3-E41 HydrophobicContact CG2-CG 4.04Å; V3-A204 PolarHBondContact N-O 3.39Å; V3-F205 HydrophobicContact CB-CD1 4.11Å; V3-F205 HydrophobicContact CB-CE1 4.28Å; V3-F205 CarbonylContact O-C 3.03Å; V3-F205 WeakPolarHBondContact O-CA 3.47Å; V3-C206 PolarHBondContact O-N 3.29Å; V3-C206 PolarHBondContact O-SG 3.08Å; V3-C206 VanDerWaalsContact O-SG 3.37Å
4R93.2Very high90.3Very high92 Ų9253.1 Ų53.135%0.34726%0.256SS..EExtended strand (participates in β ladder)trans-93.6135.8177.1-65-177.5175.4113.1-5110.9C206 L208 T210 L215R4-C206 CarbonylContact C-O 3.53Å; R4-C206 VanDerWaalsContact CA-O 3.24Å; R4-C206 WeakPolarHBondContact CA-O 3.03Å; R4-L208 HydrophobicContact CB-CD2 4Å; R4-T210 PolarHBondContact NE-O 2.95Å; R4-T210 PolarHBondContact NH2-O 3.36Å; R4-L215 HydrophobicContact CG-CD1 4.32Å; R4-L215 VanDerWaalsContact NH2-CD1 3.25Å
5A92.5Very high90.5Very high4 Ų450.3 Ų50.33%0.03324%0.244CC..EExtended strand (participates in β ladder)trans-141.2168.417400000112.3I13 F34 V37 C206 G207 L208A5-I13 HydrophobicContact CB-CD1 3.38Å; A5-I13 HydrophobicContact CB-CG1 4.4Å; A5-I13 WeakPolarHBondContact O-CD1 3.47Å; A5-F34 HydrophobicContact CB-CD2 4.36Å; A5-F34 HydrophobicContact CB-CE2 4.47Å; A5-V37 HydrophobicContact CB-CB 4.39Å; A5-V37 HydrophobicContact CB-CG1 3.89Å; A5-C206 PolarHBondContact N-O 3.28Å; A5-G207 CarbonylContact O-C 3.54Å; A5-G207 WeakPolarHBondContact O-CA 3.44Å; A5-L208 PolarHBondContact O-N 3.27Å
6S92.4Very high90.8Very high24 Ų2448.4 Ų48.417%0.16823%0.234CC..  trans-146.6138.7172.4174.70000110.2K9 N10 F34S6-K9 WeakPolarHBondContact OG-CA 3.43Å; S6-K9 PolarHBondContact OG-N 3.43Å; S6-N10 WeakPolarHBondContact CA-O 3.29Å; S6-N10 PolarHBondContact OG-O 3.3Å; S6-F34 WeakPolarHBondContact O-CD2 3.38Å
7F90.3Very high91Very high1 Ų145.6 Ų45.60%0.00422%0.22CC..BIsolated β-bridgetrans-105.7110.8176.4-174.1-88.1000109K9 N10 F16 A27 F34F7-K9 PolarHBondContact O-N 2.86Å; F7-K9 VanDerWaalsContact O-N 3.14Å; F7-N10 PolarHBondContact N-O 2.7Å; F7-N10 WeakPolarHBondContact O-CA 3.34Å; F7-N10 VanDerWaalsContact O-CB 3.23Å; F7-N10 WeakPolarHBondContact O-CB 3.08Å; F7-N10 PolarHBondContact O-N 2.83Å; F7-F16 HydrophobicContact CB-CB 4.42Å; F7-F16 HydrophobicContact CB-CD2 3.61Å; F7-F16 HydrophobicContact CB-CE2 4.07Å; F7-F16 HydrophobicContact CB-CG 4.05Å; F7-F16 HydrophobicContact CD1-CB 4.42Å; F7-F16 AromaticContact CD1-CD1 3.63Å; F7-F16 HydrophobicContact CD1-CD1 3.63Å; F7-F16 AromaticContact CD1-CD2 3.77Å; F7-F16 HydrophobicContact CD1-CD2 3.77Å; F7-F16 AromaticContact CD1-CE1 3.71Å; F7-F16 HydrophobicContact CD1-CE1 3.71Å; F7-F16 AromaticContact CD1-CE2 3.86Å; F7-F16 HydrophobicContact CD1-CE2 3.86Å; F7-F16 AromaticContact CD1-CG 3.65Å; F7-F16 HydrophobicContact CD1-CG 3.65Å; F7-F16 AromaticContact CD1-CZ 3.83Å; F7-F16 HydrophobicContact CD1-CZ 3.83Å; F7-F16 HydrophobicContact CD2-CB 4.07Å; F7-F16 HydrophobicContact CD2-CG 4.17Å; F7-F16 AromaticContact CE1-CD1 3.71Å; F7-F16 HydrophobicContact CE1-CD1 3.71Å; F7-F16 AromaticContact CE1-CE1 3.83Å; F7-F16 HydrophobicContact CE1-CE1 3.83Å; F7-F16 HydrophobicContact CE1-CG 4.15Å; F7-F16 HydrophobicContact CE1-CZ 4.37Å; F7-F16 HydrophobicContact CE2-CB 4.46Å; F7-F16 HydrophobicContact CG-CB 4.04Å; F7-F16 HydrophobicContact CG-CD1 4.11Å; F7-F16 AromaticContact CG-CD2 3.74Å; F7-F16 HydrophobicContact CG-CD2 3.74Å; F7-F16 HydrophobicContact CG-CE2 4.22Å; F7-F16 AromaticContact CG-CG 3.68Å; F7-F16 HydrophobicContact CG-CG 3.68Å; F7-F16 HydrophobicContact CZ-CD1 4.24Å; F7-A27 HydrophobicContact CE2-CB 4.11Å; F7-A27 HydrophobicContact CZ-CB 4.25Å; F7-F34 HydrophobicContact CB-CD2 4.04Å; F7-F34 HydrophobicContact CB-CE2 3.89Å; F7-F34 HydrophobicContact CB-CZ 4.42Å; F7-F34 AromaticContact CD2-CD1 3.88Å; F7-F34 HydrophobicContact CD2-CD1 3.88Å; F7-F34 HydrophobicContact CD2-CD2 4.16Å; F7-F34 AromaticContact CD2-CE1 3.9Å; F7-F34 HydrophobicContact CD2-CE1 3.9Å; F7-F34 HydrophobicContact CD2-CE2 4.15Å; F7-F34 HydrophobicContact CD2-CG 4Å; F7-F34 HydrophobicContact CD2-CZ 4.02Å; F7-F34 HydrophobicContact CE2-CD1 4.45Å
8E88.3Confident91.3Very high108 Ų10845.1 Ų45.151%0.50522%0.217SC..THydrogen-bonded Turntrans5137.6178.8-59.7-170.814600114.8N10 R57E8-N10 PolarHBondContact O-N 3.47Å; E8-R57 VanDerWaalsContact CD-NH1 3.28Å; E8-R57 IonicContact OE1-NH1 3.34Å; E8-R57 PolarHBondContact OE1-NH1 2.98Å; E8-R57 VanDerWaalsContact OE1-NH1 3.15Å; E8-R57 IonicContact OE2-CZ 2.89Å; E8-R57 IonicContact OE2-NH1 3.42Å; E8-R57 PolarHBondContact OE2-NH1 3.49Å; E8-R57 IonicContact OE2-NH2 2.67Å
9K87.9Confident91.5Very high202 Ų20243.4 Ų43.488%0.87821%0.209SC*.THydrogen-bonded Turntrans72.86.6-173.4-48.9171177.9174.60115.1S6 F7S6-K9 WeakPolarHBondContact OG-CA 3.43Å; S6-K9 PolarHBondContact OG-N 3.43Å; F7-K9 PolarHBondContact O-N 2.86Å; F7-K9 VanDerWaalsContact O-N 3.14Å
10N91.3Very high91.6Very high61 Ų6141.6 Ų41.633%0.32620%0.201SC..BIsolated β-bridgetrans-91138.3168.2-163.5-18.3000109.8S6 F7 E8 E12 F16S6-N10 WeakPolarHBondContact CA-O 3.29Å; S6-N10 PolarHBondContact OG-O 3.3Å; F7-N10 PolarHBondContact N-O 2.7Å; F7-N10 WeakPolarHBondContact O-CA 3.34Å; F7-N10 VanDerWaalsContact O-CB 3.23Å; F7-N10 WeakPolarHBondContact O-CB 3.08Å; F7-N10 PolarHBondContact O-N 2.83Å; E8-N10 PolarHBondContact O-N 3.47Å; N10-E12 WeakPolarHBondContact OD1-CB 3.22Å; N10-E12 WeakPolarHBondContact OD1-CG 3.5Å; N10-E12 PolarHBondContact OD1-N 2.95Å; N10-F16 HydrophobicContact CB-CE2 4.03Å; N10-F16 HydrophobicContact CB-CZ 4.46Å
11N92.3Very high91.6Very high25 Ų2540.9 Ų40.913%0.13420%0.198CC..  trans-97-1.6179.4-67.4-32.7000112.5I13 N187 G207 L208 D209N11-I13 VanDerWaalsContact C-N 3.28Å; N11-I13 PolarHBondContact O-N 3.43Å; N11-N187 PolarHBondContact O-ND2 3.08Å; N11-G207 WeakPolarHBondContact O-CA 3.27Å; N11-L208 PolarHBondContact OD1-N 2.89Å; N11-D209 PolarHBondContact ND2-OD1 2.9Å; N11-D209 PolarHBondContact ND2-OD2 3.22Å
12E93.2Very high92.3Very high72 Ų7237.7 Ų37.734%0.33619%0.185SC..  trans-83.166.7176-63.1-174.6167.700112.2N10 G14 C15 F16 A195N10-E12 WeakPolarHBondContact OD1-CB 3.22Å; N10-E12 WeakPolarHBondContact OD1-CG 3.5Å; N10-E12 PolarHBondContact OD1-N 2.95Å; E12-G14 VanDerWaalsContact C-N 3.27Å; E12-G14 PolarHBondContact O-N 2.84Å; E12-C15 HydrophobicContact CB-CB 4.34Å; E12-C15 WeakPolarHBondContact O-CB 3.32Å; E12-C15 PolarHBondContact O-N 2.91Å; E12-C15 VanDerWaalsContact O-N 3.08Å; E12-C15 PolarHBondContact OE2-SG 2.96Å; E12-F16 WeakPolarHBondContact O-CD2 3.28Å; E12-F16 WeakPolarHBondContact O-CE2 3.48Å; E12-A195 CarbonylContact C-O 3.59Å; E12-A195 WeakPolarHBondContact CA-O 3.24Å; E12-A195 HydrophobicContact CB-CB 4.04Å; E12-A195 HydrophobicContact CG-CB 3.86Å
13I93.9Very high92.7Very high0 Ų037.2 Ų37.20%018%0.181CC..Hα-helixtrans-57.3-39.1-177.2-58.6-177.1000112.5A5 N11 C15 F16 A17 F34 F38 A195 V198 F205 C206A5-I13 HydrophobicContact CB-CD1 3.38Å; A5-I13 HydrophobicContact CB-CG1 4.4Å; A5-I13 WeakPolarHBondContact O-CD1 3.47Å; N11-I13 VanDerWaalsContact C-N 3.28Å; N11-I13 PolarHBondContact O-N 3.43Å; I13-C15 PolarHBondContact O-N 3.5Å; I13-C15 VanDerWaalsContact O-N 3.16Å; I13-F16 CarbonylContact O-C 3.52Å; I13-F16 PolarHBondContact O-N 2.82Å; I13-A17 HydrophobicContact CG2-CB 4.28Å; I13-A17 PolarHBondContact O-N 3.22Å; I13-F34 HydrophobicContact CG2-CE2 4.09Å; I13-F34 HydrophobicContact CG2-CZ 4.21Å; I13-F38 HydrophobicContact CG2-CE2 4.14Å; I13-F38 HydrophobicContact CG2-CZ 3.61Å; I13-A195 PolarHBondContact N-O 3.27Å; I13-A195 VanDerWaalsContact N-O 3.12Å; I13-V198 HydrophobicContact CG2-CG2 4.4Å; I13-F205 HydrophobicContact CD1-CB 4.43Å; I13-F205 HydrophobicContact CG2-CB 4.46Å; I13-C206 WeakPolarHBondContact CD1-O 3.33Å
14G92.9Very high92.8Very high4 Ų435.8 Ų35.84%0.04117%0.172CC..Hα-helixtrans-69.6-8.8-179.100000114.4E12 G60 A194 A195 V198E12-G14 VanDerWaalsContact C-N 3.27Å; E12-G14 PolarHBondContact O-N 2.84Å; G14-G60 CarbonylContact O-C 3.59Å; G14-G60 WeakPolarHBondContact O-CA 3.47Å; G14-A194 VanDerWaalsContact CA-O 3.32Å; G14-A194 WeakPolarHBondContact CA-O 3.22Å; G14-A195 WeakPolarHBondContact CA-O 3.35Å; G14-A195 PolarHBondContact N-O 3.04Å; G14-V198 VanDerWaalsContact CA-CG1 3.46Å
15C93.3Very high92.9Very high10 Ų1031.5 Ų31.57%0.06816%0.156CC..Hα-helixtrans-73.7-32.3164.3-65.80000112.1E12 I13 I58 I59 G60 R61E12-C15 HydrophobicContact CB-CB 4.34Å; E12-C15 WeakPolarHBondContact O-CB 3.32Å; E12-C15 PolarHBondContact O-N 2.91Å; E12-C15 VanDerWaalsContact O-N 3.08Å; E12-C15 PolarHBondContact OE2-SG 2.96Å; I13-C15 PolarHBondContact O-N 3.5Å; I13-C15 VanDerWaalsContact O-N 3.16Å; C15-I58 CarbonylContact O-C 3.56Å; C15-I58 WeakPolarHBondContact O-CA 3.49Å; C15-I59 PolarHBondContact O-N 2.92Å; C15-G60 PolarHBondContact O-N 3.1Å; C15-R61 HydrophobicContact CB-CG 4.25Å; C15-R61 PolarHBondContact SG-NE 3.03Å
16F94.8Very high93Very high21 Ų2131.3 Ų31.39%0.09215%0.154CC..Hα-helixtrans-107.9-7.9-170.2-53-72.4000114.3F7 N10 E12 I13 A27 I58 I59F7-F16 HydrophobicContact CB-CB 4.42Å; F7-F16 HydrophobicContact CB-CD2 3.61Å; F7-F16 HydrophobicContact CB-CE2 4.07Å; F7-F16 HydrophobicContact CB-CG 4.05Å; F7-F16 HydrophobicContact CD1-CB 4.42Å; F7-F16 AromaticContact CD1-CD1 3.63Å; F7-F16 HydrophobicContact CD1-CD1 3.63Å; F7-F16 AromaticContact CD1-CD2 3.77Å; F7-F16 HydrophobicContact CD1-CD2 3.77Å; F7-F16 AromaticContact CD1-CE1 3.71Å; F7-F16 HydrophobicContact CD1-CE1 3.71Å; F7-F16 AromaticContact CD1-CE2 3.86Å; F7-F16 HydrophobicContact CD1-CE2 3.86Å; F7-F16 AromaticContact CD1-CG 3.65Å; F7-F16 HydrophobicContact CD1-CG 3.65Å; F7-F16 AromaticContact CD1-CZ 3.83Å; F7-F16 HydrophobicContact CD1-CZ 3.83Å; F7-F16 HydrophobicContact CD2-CB 4.07Å; F7-F16 HydrophobicContact CD2-CG 4.17Å; F7-F16 AromaticContact CE1-CD1 3.71Å; F7-F16 HydrophobicContact CE1-CD1 3.71Å; F7-F16 AromaticContact CE1-CE1 3.83Å; F7-F16 HydrophobicContact CE1-CE1 3.83Å; F7-F16 HydrophobicContact CE1-CG 4.15Å; F7-F16 HydrophobicContact CE1-CZ 4.37Å; F7-F16 HydrophobicContact CE2-CB 4.46Å; F7-F16 HydrophobicContact CG-CB 4.04Å; F7-F16 HydrophobicContact CG-CD1 4.11Å; F7-F16 AromaticContact CG-CD2 3.74Å; F7-F16 HydrophobicContact CG-CD2 3.74Å; F7-F16 HydrophobicContact CG-CE2 4.22Å; F7-F16 AromaticContact CG-CG 3.68Å; F7-F16 HydrophobicContact CG-CG 3.68Å; F7-F16 HydrophobicContact CZ-CD1 4.24Å; N10-F16 HydrophobicContact CB-CE2 4.03Å; N10-F16 HydrophobicContact CB-CZ 4.46Å; E12-F16 WeakPolarHBondContact O-CD2 3.28Å; E12-F16 WeakPolarHBondContact O-CE2 3.48Å; I13-F16 CarbonylContact O-C 3.52Å; I13-F16 PolarHBondContact O-N 2.82Å; F16-A27 HydrophobicContact CB-CB 4.03Å; F16-A27 HydrophobicContact CD1-CB 4.48Å; F16-A27 VanDerWaalsContact O-CB 3.31Å; F16-A27 WeakPolarHBondContact O-CB 3.47Å; F16-A27 PolarHBondContact O-N 3.45Å; F16-I58 HydrophobicContact CE1-CG2 4.26Å; F16-I59 WeakPolarHBondContact O-CD1 3.42Å; F16-I59 WeakPolarHBondContact O-CG1 3.3Å
17A94.6Very high93Very high0 Ų030.1 Ų30.10%015%0.146CC..EExtended strand (participates in β ladder)trans-134.4150.2178.400000110.9I13 L25 V26 F34 F38 G60I13-A17 HydrophobicContact CG2-CB 4.28Å; I13-A17 PolarHBondContact O-N 3.22Å; A17-L25 CarbonylContact C-O 3.57Å; A17-L25 VanDerWaalsContact CA-O 3.24Å; A17-L25 WeakPolarHBondContact CA-O 3.35Å; A17-V26 HydrophobicContact CB-CG1 4.21Å; A17-F34 HydrophobicContact CB-CZ 4.48Å; A17-F38 HydrophobicContact CB-CE1 3.9Å; A17-F38 HydrophobicContact CB-CZ 3.71Å; A17-G60 WeakPolarHBondContact O-CA 3.38Å
18K95.3Very high93.1Very high37 Ų3733.6 Ų33.616%0.16116%0.164CC..EExtended strand (participates in β ladder)trans-125.1121.1166.8-168.471.4179.1-172.20108.4C24 L25K18-C24 CarbonylContact O-C 3.55Å; K18-C24 WeakPolarHBondContact O-CA 3.46Å; K18-L25 HydrophobicContact CB-CB 4.22Å; K18-L25 PolarHBondContact N-O 3.2Å; K18-L25 PolarHBondContact O-N 2.68Å
19L94.9Very high93Very high13 Ų1330.6 Ų30.67%0.06816%0.163CC..EExtended strand (participates in β ladder)trans-109.7134.8179.6-174.562.9000109.6C24 L42 I46 V198 N200 F205L19-C24 HydrophobicContact CD1-CB 3.85Å; L19-L42 HydrophobicContact CD1-CD1 3.63Å; L19-L42 HydrophobicContact CD1-CD2 4.16Å; L19-I46 HydrophobicContact CD1-CD1 3.78Å; L19-V198 HydrophobicContact CB-CB 3.95Å; L19-V198 HydrophobicContact CB-CG2 4.02Å; L19-V198 HydrophobicContact CD2-CG2 4.41Å; L19-N200 HydrophobicContact CD2-CB 3.92Å; L19-N200 HydrophobicContact CG-CB 3.92Å; L19-F205 HydrophobicContact CD2-CD2 3.86Å; L19-F205 HydrophobicContact CD2-CE2 3.89Å
20T94.4Very high92.8Very high7 Ų721.8 Ų21.84%0.04313%0.129CC..  trans-133.6179.417272.10000109.4T22 Y23 G65T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 3.06Å; T20-T22 PolarHBondContact OG1-N 3.5Å; T20-Y23 HydrophobicContact CG2-CD2 4.3Å; T20-Y23 HydrophobicContact CG2-CE1 4.2Å; T20-Y23 HydrophobicContact CG2-CE2 3.69Å; T20-Y23 PolarHBondContact N-O 2.94Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.36Å; T20-Y23 PolarHBondContact OG1-N 3.28Å; T20-Y23 PolarHBondContact OG1-O 3.04Å; T20-G65 WeakPolarHBondContact CG2-O 3.49Å
21N92.1Very high92.7Very high27 Ų2721.4 Ų21.414%0.14413%0.131CC..SBendtrans-75.8-7.4175-76.8-18.5000114.4R67 D112 N156 N200 D201 W202N21-R67 HydrophobicContact CB-CB 4.29Å; N21-D112 PolarHBondContact ND2-OD2 2.93Å; N21-N156 PolarHBondContact ND2-ND2 2.97Å; N21-N200 WeakPolarHBondContact OD1-CB 3.5Å; N21-D201 PolarHBondContact ND2-OD2 3.45Å; N21-D201 PolarHBondContact OD1-N 2.86Å; N21-W202 HydrophobicContact CB-CH2 4.35Å; N21-W202 HydrophobicContact CB-CZ3 4.12Å; N21-W202 VanDerWaalsContact O-CH2 3.28Å; N21-W202 WeakPolarHBondContact O-CH2 3.14Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.44Å
22T92.3Very high92.5Very high44 Ų4427.8 Ų27.827%0.2716%0.16SC..SBendtrans-128.5-18.6-177.747.90000114.5T20 P47 R67T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 3.06Å; T20-T22 PolarHBondContact OG1-N 3.5Å; T22-P47 WeakPolarHBondContact O-CD 3.34Å; T22-R67 HydrophobicContact CG2-CB 3.71Å; T22-R67 VanDerWaalsContact OG1-CA 3.31Å; T22-R67 WeakPolarHBondContact OG1-CA 3.39Å; T22-R67 PolarHBondContact OG1-O 2.73Å
23Y94.1Very high92.3Very high0 Ų030.5 Ų30.50%018%0.177CC..  trans-154.8155.1179.659.7-93.6000110.2T20 L25 G65 N66 G69 L70 L88 V92T20-Y23 HydrophobicContact CG2-CD2 4.3Å; T20-Y23 HydrophobicContact CG2-CE1 4.2Å; T20-Y23 HydrophobicContact CG2-CE2 3.69Å; T20-Y23 PolarHBondContact N-O 2.94Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.36Å; T20-Y23 PolarHBondContact OG1-N 3.28Å; T20-Y23 PolarHBondContact OG1-O 3.04Å; Y23-L25 HydrophobicContact CD2-CD2 4.35Å; Y23-L25 HydrophobicContact CD2-CG 4.13Å; Y23-L25 HydrophobicContact CE2-CD1 4.46Å; Y23-L25 HydrophobicContact CE2-CG 4.29Å; Y23-G65 WeakPolarHBondContact OH-CA 3.23Å; Y23-N66 VanDerWaalsContact CE1-O 3.26Å; Y23-N66 WeakPolarHBondContact CE1-O 3.41Å; Y23-N66 PolarHBondContact OH-O 3.02Å; Y23-G69 PolarHBondContact OH-O 3.42Å; Y23-L70 HydrophobicContact CE2-CD1 4.03Å; Y23-L70 WeakPolarHBondContact OH-CB 3.45Å; Y23-L88 HydrophobicContact CD1-CD2 4.11Å; Y23-L88 HydrophobicContact CD1-CG 4.4Å; Y23-L88 HydrophobicContact CD2-CD2 4.18Å; Y23-L88 HydrophobicContact CD2-CG 4.5Å; Y23-L88 HydrophobicContact CE1-CD2 4.27Å; Y23-L88 HydrophobicContact CE2-CD2 4.31Å; Y23-L88 HydrophobicContact CG-CD2 4.08Å; Y23-L88 HydrophobicContact CG-CG 4.14Å; Y23-V92 HydrophobicContact CD1-CG1 4.18Å; Y23-V92 HydrophobicContact CD1-CG2 3.75Å; Y23-V92 HydrophobicContact CE1-CB 4.34Å; Y23-V92 HydrophobicContact CE1-CG1 3.54Å; Y23-V92 HydrophobicContact CE1-CG2 3.83Å
24C94.9Very high92.1Very high0 Ų030.6 Ų30.60%018%0.177CC..EExtended strand (participates in β ladder)trans-123.4131.3170.3-175.50000109.2K18 L19 L42 I46 P47 V48 V49K18-C24 CarbonylContact O-C 3.55Å; K18-C24 WeakPolarHBondContact O-CA 3.46Å; L19-C24 HydrophobicContact CD1-CB 3.85Å; C24-L42 HydrophobicContact CB-CD1 3.86Å; C24-I46 HydrophobicContact CB-CD1 4.06Å; C24-P47 PolarHBondContact N-O 2.98Å; C24-V48 HydrophobicContact CB-CG2 4.3Å; C24-V48 WeakPolarHBondContact O-CA 3.43Å; C24-V49 PolarHBondContact O-N 2.96Å
25L94.4Very high92.1Very high1 Ų131.9 Ų31.91%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-102.8134.4170.2-56178.8000108.3A17 K18 Y23 V49 I59 L70 L88A17-L25 CarbonylContact C-O 3.57Å; A17-L25 VanDerWaalsContact CA-O 3.24Å; A17-L25 WeakPolarHBondContact CA-O 3.35Å; K18-L25 HydrophobicContact CB-CB 4.22Å; K18-L25 PolarHBondContact N-O 3.2Å; K18-L25 PolarHBondContact O-N 2.68Å; Y23-L25 HydrophobicContact CD2-CD2 4.35Å; Y23-L25 HydrophobicContact CD2-CG 4.13Å; Y23-L25 HydrophobicContact CE2-CD1 4.46Å; Y23-L25 HydrophobicContact CE2-CG 4.29Å; L25-V49 WeakPolarHBondContact CA-O 3.37Å; L25-V49 HydrophobicContact CD2-CB 3.93Å; L25-V49 HydrophobicContact CD2-CG1 4.36Å; L25-I59 HydrophobicContact CB-CD1 3.61Å; L25-I59 WeakPolarHBondContact O-CD1 3.31Å; L25-L70 HydrophobicContact CD1-CD1 3.83Å; L25-L70 HydrophobicContact CD1-CD2 3.8Å; L25-L70 HydrophobicContact CD1-CG 4.49Å; L25-L88 HydrophobicContact CD2-CD1 4Å
26V94.6Very high91.9Very high0 Ų034.8 Ų34.80%020%0.202CC..EExtended strand (participates in β ladder)trans-129.3140.7176.6-76.50000110A17 F34 Y35 F38 V48 V49 H50 A51 I59A17-V26 HydrophobicContact CB-CG1 4.21Å; V26-F34 HydrophobicContact CB-CE1 4.37Å; V26-F34 HydrophobicContact CG1-CE1 4.16Å; V26-Y35 HydrophobicContact CB-CD1 4.49Å; V26-Y35 HydrophobicContact CB-CE1 4.33Å; V26-Y35 HydrophobicContact CG2-CD1 4.31Å; V26-Y35 HydrophobicContact CG2-CE1 4.29Å; V26-F38 HydrophobicContact CG1-CB 4.45Å; V26-F38 HydrophobicContact CG1-CD1 4.1Å; V26-F38 HydrophobicContact CG1-CD2 4.26Å; V26-F38 HydrophobicContact CG1-CE1 4.42Å; V26-F38 HydrophobicContact CG1-CG 4Å; V26-V48 HydrophobicContact CG1-CG1 4.13Å; V26-V48 HydrophobicContact CG2-CG1 3.51Å; V26-V49 WeakPolarHBondContact CG2-O 3.45Å; V26-V49 PolarHBondContact N-O 2.66Å; V26-H50 WeakPolarHBondContact CG2-CD2 3.36Å; V26-H50 WeakPolarHBondContact O-CA 3.41Å; V26-A51 PolarHBondContact O-N 3.15Å; V26-I59 VanDerWaalsContact CA-CD1 3.47Å; V26-I59 VanDerWaalsContact N-CD1 3.35Å
27A94.3Very high91.8Very high0 Ų035.7 Ų35.70%021%0.209CC..EExtended strand (participates in β ladder)trans-62.7140.8-178.400000111.6F7 F16 Y35 R57 I59F7-A27 HydrophobicContact CE2-CB 4.11Å; F7-A27 HydrophobicContact CZ-CB 4.25Å; F16-A27 HydrophobicContact CB-CB 4.03Å; F16-A27 HydrophobicContact CD1-CB 4.48Å; F16-A27 VanDerWaalsContact O-CB 3.31Å; F16-A27 WeakPolarHBondContact O-CB 3.47Å; F16-A27 PolarHBondContact O-N 3.45Å; A27-Y35 WeakPolarHBondContact O-CE1 3.38Å; A27-Y35 PolarHBondContact O-OH 3.39Å; A27-R57 HydrophobicContact CB-CB 4.29Å; A27-R57 WeakPolarHBondContact CB-O 3.32Å; A27-I59 HydrophobicContact CB-CG1 4.26Å
28I91.4Very high91.6Very high73 Ų7335.7 Ų35.737%0.37421%0.209SC..THydrogen-bonded Turntrans-68150.916759.8170.5000111.7Y35 H50 A51 R57I28-Y35 WeakPolarHBondContact CA-OH 3.13Å; I28-H50 HydrophobicContact CG2-CB 4.22Å; I28-A51 PolarHBondContact N-O 3.06Å; I28-R57 WeakPolarHBondContact O-CD 3.38Å
29G85.6Confident91.4Very high46 Ų4637.5 Ų37.547%0.47422%0.218SC..THydrogen-bonded Turntrans8218.5177.700000114.6Y35G29-Y35 PolarHBondContact N-OH 3.16Å; G29-Y35 VanDerWaalsContact N-OH 3.15Å
30G84.9Confident91Very high17 Ų1739.7 Ų39.718%0.17524%0.244CC..  trans-77.716616700000112.1Y35G30-Y35 PolarHBondContact N-OH 3.31Å; G30-Y35 WeakPolarHBondContact O-CE2 3.25Å
31S88.9Confident90.7Very high53 Ų5343.4 Ų43.437%0.37126%0.261SS..  trans-75.8153.6169.658.90000110.7N33 F34 Y35S31-N33 PolarHBondContact O-N 2.99Å; S31-N33 VanDerWaalsContact O-N 3.16Å; S31-F34 WeakPolarHBondContact O-CB 3.45Å; S31-F34 PolarHBondContact O-N 3.04Å; S31-Y35 PolarHBondContact O-N 2.97Å
32E88.1Confident90.5Very high158 Ų15842.1 Ų42.174%0.73825%0.254SS*.Hα-helixtrans-55.5-33.4172.9-70.2-178.217500111.7F34 Y35 S36E32-F34 VanDerWaalsContact C-N 3.26Å; E32-F34 PolarHBondContact O-N 3.37Å; E32-Y35 PolarHBondContact O-N 2.81Å; E32-S36 WeakPolarHBondContact O-CB 3.32Å; E32-S36 PolarHBondContact O-N 3.36Å; E32-S36 PolarHBondContact O-OG 2.99Å
33N88.5Confident90Very high129 Ų12943.7 Ų43.769%0.6927%0.267SS*.Hα-helixtrans-57.8-37.7173.8-69.5-5.8000112.9S31 V37S31-N33 PolarHBondContact O-N 2.99Å; S31-N33 VanDerWaalsContact O-N 3.16Å; N33-V37 WeakPolarHBondContact O-CG2 3.3Å; N33-V37 PolarHBondContact O-N 3.11Å
34F90.3Very high89.5Confident2 Ų252.7 Ų52.71%0.00931%0.309CS..Hα-helixtrans-69-47.3176.9-179-98.5000110.4A5 S6 F7 I13 A17 V26 S31 E32 V37 F38A5-F34 HydrophobicContact CB-CD2 4.36Å; A5-F34 HydrophobicContact CB-CE2 4.47Å; S6-F34 WeakPolarHBondContact O-CD2 3.38Å; F7-F34 HydrophobicContact CB-CD2 4.04Å; F7-F34 HydrophobicContact CB-CE2 3.89Å; F7-F34 HydrophobicContact CB-CZ 4.42Å; F7-F34 AromaticContact CD2-CD1 3.88Å; F7-F34 HydrophobicContact CD2-CD1 3.88Å; F7-F34 HydrophobicContact CD2-CD2 4.16Å; F7-F34 AromaticContact CD2-CE1 3.9Å; F7-F34 HydrophobicContact CD2-CE1 3.9Å; F7-F34 HydrophobicContact CD2-CE2 4.15Å; F7-F34 HydrophobicContact CD2-CG 4Å; F7-F34 HydrophobicContact CD2-CZ 4.02Å; F7-F34 HydrophobicContact CE2-CD1 4.45Å; I13-F34 HydrophobicContact CG2-CE2 4.09Å; I13-F34 HydrophobicContact CG2-CZ 4.21Å; A17-F34 HydrophobicContact CB-CZ 4.48Å; V26-F34 HydrophobicContact CB-CE1 4.37Å; V26-F34 HydrophobicContact CG1-CE1 4.16Å; S31-F34 WeakPolarHBondContact O-CB 3.45Å; S31-F34 PolarHBondContact O-N 3.04Å; E32-F34 VanDerWaalsContact C-N 3.26Å; E32-F34 PolarHBondContact O-N 3.37Å; F34-V37 PolarHBondContact O-N 2.89Å; F34-F38 HydrophobicContact CD1-CD2 4.37Å; F34-F38 HydrophobicContact CD1-CE2 4.37Å; F34-F38 HydrophobicContact CD2-CE2 4.18Å; F34-F38 HydrophobicContact CE1-CD2 4.04Å; F34-F38 AromaticContact CE1-CE2 3.75Å; F34-F38 HydrophobicContact CE1-CE2 3.75Å; F34-F38 HydrophobicContact CE2-CD2 4.39Å; F34-F38 AromaticContact CE2-CE2 3.56Å; F34-F38 HydrophobicContact CE2-CE2 3.56Å; F34-F38 HydrophobicContact CE2-CZ 4.38Å; F34-F38 HydrophobicContact CZ-CD2 4.07Å; F34-F38 AromaticContact CZ-CE2 3.31Å; F34-F38 HydrophobicContact CZ-CE2 3.31Å; F34-F38 AromaticContact CZ-CZ 3.96Å; F34-F38 HydrophobicContact CZ-CZ 3.96Å; F34-F38 WeakPolarHBondContact O-CD2 3.4Å
35Y91.6Very high89Confident31 Ų3157 Ų5712%0.12234%0.336CS..Hα-helixtrans-63.5-43.6179.8-58-43.6000112.4V26 A27 I28 G29 G30 S31 E32 V37 F38 E39 H50V26-Y35 HydrophobicContact CB-CD1 4.49Å; V26-Y35 HydrophobicContact CB-CE1 4.33Å; V26-Y35 HydrophobicContact CG2-CD1 4.31Å; V26-Y35 HydrophobicContact CG2-CE1 4.29Å; A27-Y35 WeakPolarHBondContact O-CE1 3.38Å; A27-Y35 PolarHBondContact O-OH 3.39Å; I28-Y35 WeakPolarHBondContact CA-OH 3.13Å; G29-Y35 PolarHBondContact N-OH 3.16Å; G29-Y35 VanDerWaalsContact N-OH 3.15Å; G30-Y35 PolarHBondContact N-OH 3.31Å; G30-Y35 WeakPolarHBondContact O-CE2 3.25Å; S31-Y35 PolarHBondContact O-N 2.97Å; E32-Y35 PolarHBondContact O-N 2.81Å; Y35-V37 PolarHBondContact O-N 3.23Å; Y35-F38 PolarHBondContact O-N 2.67Å; Y35-E39 WeakPolarHBondContact O-CB 3.47Å; Y35-E39 WeakPolarHBondContact O-CG 3.27Å; Y35-E39 PolarHBondContact O-N 2.84Å; Y35-H50 AromaticContact CD1-CD2 3.59Å; Y35-H50 AromaticContact CD1-NE2 3.22Å; Y35-H50 WeakPolarHBondContact CD1-NE2 3.27Å; Y35-H50 AromaticContact CD2-NE2 3.97Å; Y35-H50 AromaticContact CE1-CD2 3.37Å; Y35-H50 WeakPolarHBondContact CE1-CD2 3.34Å; Y35-H50 AromaticContact CE1-NE2 3.53Å; Y35-H50 AromaticContact CG-NE2 3.46Å; Y35-H50 AromaticContact CZ-CD2 3.76Å; Y35-H50 AromaticContact CZ-NE2 4Å
36S90.5Very high88.9Confident71 Ų7157.4 Ų57.450%0.49734%0.337SS..Hα-helixtrans-57.9-31.6177.1-64.60000113.4E32 G40E32-S36 WeakPolarHBondContact O-CB 3.32Å; E32-S36 PolarHBondContact O-N 3.36Å; E32-S36 PolarHBondContact O-OG 2.99Å; S36-G40 WeakPolarHBondContact O-CA 3.32Å; S36-G40 PolarHBondContact O-N 2.92Å
37V91.9Very high88.8Confident40 Ų4059.9 Ų59.924%0.24235%0.353CS..Hα-helixtrans-68.9-42.5176.3170.70000111.2V3 A5 N33 F34 Y35 F205V3-V37 HydrophobicContact CG1-CG1 3.64Å; A5-V37 HydrophobicContact CB-CB 4.39Å; A5-V37 HydrophobicContact CB-CG1 3.89Å; N33-V37 WeakPolarHBondContact O-CG2 3.3Å; N33-V37 PolarHBondContact O-N 3.11Å; F34-V37 PolarHBondContact O-N 2.89Å; Y35-V37 PolarHBondContact O-N 3.23Å; V37-F205 HydrophobicContact CG1-CD1 3.88Å; V37-F205 HydrophobicContact CG1-CE1 3.86Å
38F91.3Very high88.7Confident0 Ų061.1 Ų61.10%036%0.361CS..Hα-helixtrans-72.9-48.2177.4-78.5-93.7000111.4I13 A17 V26 F34 Y35 G40 E41 L42 V48 V198 F205I13-F38 HydrophobicContact CG2-CE2 4.14Å; I13-F38 HydrophobicContact CG2-CZ 3.61Å; A17-F38 HydrophobicContact CB-CE1 3.9Å; A17-F38 HydrophobicContact CB-CZ 3.71Å; V26-F38 HydrophobicContact CG1-CB 4.45Å; V26-F38 HydrophobicContact CG1-CD1 4.1Å; V26-F38 HydrophobicContact CG1-CD2 4.26Å; V26-F38 HydrophobicContact CG1-CE1 4.42Å; V26-F38 HydrophobicContact CG1-CG 4Å; F34-F38 HydrophobicContact CD1-CD2 4.37Å; F34-F38 HydrophobicContact CD1-CE2 4.37Å; F34-F38 HydrophobicContact CD2-CE2 4.18Å; F34-F38 HydrophobicContact CE1-CD2 4.04Å; F34-F38 AromaticContact CE1-CE2 3.75Å; F34-F38 HydrophobicContact CE1-CE2 3.75Å; F34-F38 HydrophobicContact CE2-CD2 4.39Å; F34-F38 AromaticContact CE2-CE2 3.56Å; F34-F38 HydrophobicContact CE2-CE2 3.56Å; F34-F38 HydrophobicContact CE2-CZ 4.38Å; F34-F38 HydrophobicContact CZ-CD2 4.07Å; F34-F38 AromaticContact CZ-CE2 3.31Å; F34-F38 HydrophobicContact CZ-CE2 3.31Å; F34-F38 AromaticContact CZ-CZ 3.96Å; F34-F38 HydrophobicContact CZ-CZ 3.96Å; F34-F38 WeakPolarHBondContact O-CD2 3.4Å; Y35-F38 PolarHBondContact O-N 2.67Å; F38-G40 VanDerWaalsContact C-N 3.33Å; F38-G40 PolarHBondContact O-N 2.91Å; F38-E41 PolarHBondContact O-N 2.85Å; F38-L42 HydrophobicContact CB-CD1 4.37Å; F38-L42 HydrophobicContact CD1-CD1 3.89Å; F38-L42 WeakPolarHBondContact O-CB 3.39Å; F38-L42 VanDerWaalsContact O-CG 3.3Å; F38-L42 WeakPolarHBondContact O-CG 3.14Å; F38-L42 PolarHBondContact O-N 3.39Å; F38-V48 HydrophobicContact CB-CG1 4.34Å; F38-V198 HydrophobicContact CE1-CG2 4.23Å; F38-V198 HydrophobicContact CZ-CG2 4.43Å; F38-F205 HydrophobicContact CD1-CD1 4.35Å; F38-F205 HydrophobicContact CD1-CD2 4.08Å; F38-F205 HydrophobicContact CD1-CE1 4.19Å; F38-F205 AromaticContact CD1-CE2 3.92Å; F38-F205 HydrophobicContact CD1-CE2 3.92Å; F38-F205 HydrophobicContact CD1-CG 4.28Å; F38-F205 AromaticContact CD1-CZ 3.96Å; F38-F205 HydrophobicContact CD1-CZ 3.96Å; F38-F205 HydrophobicContact CE1-CB 4.25Å; F38-F205 HydrophobicContact CE1-CD1 4.14Å; F38-F205 AromaticContact CE1-CD2 3.65Å; F38-F205 HydrophobicContact CE1-CD2 3.65Å; F38-F205 HydrophobicContact CE1-CE1 4.43Å; F38-F205 AromaticContact CE1-CE2 3.97Å; F38-F205 HydrophobicContact CE1-CE2 3.97Å; F38-F205 AromaticContact CE1-CG 3.73Å; F38-F205 HydrophobicContact CE1-CG 3.73Å; F38-F205 HydrophobicContact CE1-CZ 4.34Å; F38-F205 HydrophobicContact CE2-CD1 4.41Å; F38-F205 HydrophobicContact CG-CE1 4.33Å; F38-F205 HydrophobicContact CG-CZ 4.42Å; F38-F205 HydrophobicContact CZ-CB 4.03Å; F38-F205 HydrophobicContact CZ-CD1 4.18Å; F38-F205 HydrophobicContact CZ-CD2 4.26Å; F38-F205 AromaticContact CZ-CG 3.89Å; F38-F205 HydrophobicContact CZ-CG 3.89Å
39E89.9Confident88.8Confident75 Ų7558 Ų5835%0.3535%0.345SS..Hα-helixtrans-64.3-37.6-179.4-69.1179.6173.400111.7Y35 E41 L42 S43 V48 H50Y35-E39 WeakPolarHBondContact O-CB 3.47Å; Y35-E39 WeakPolarHBondContact O-CG 3.27Å; Y35-E39 PolarHBondContact O-N 2.84Å; E39-E41 VanDerWaalsContact C-N 3.26Å; E39-E41 PolarHBondContact O-N 3.49Å; E39-L42 PolarHBondContact O-N 3.07Å; E39-S43 WeakPolarHBondContact O-CB 3.46Å; E39-S43 PolarHBondContact O-N 3.27Å; E39-S43 PolarHBondContact O-OG 3.02Å; E39-V48 HydrophobicContact CG-CB 4.26Å; E39-V48 HydrophobicContact CG-CG1 4.28Å; E39-V48 HydrophobicContact CG-CG2 4.38Å; E39-H50 IonicContact OE1-CE1 3.19Å; E39-H50 IonicContact OE1-NE2 3.04Å
40G88.1Confident89.2Confident60 Ų6058.7 Ų58.762%0.61934%0.336SS*.Hα-helixtrans-59.8-34.4178.500000113.8S36 F38S36-G40 WeakPolarHBondContact O-CA 3.32Å; S36-G40 PolarHBondContact O-N 2.92Å; F38-G40 VanDerWaalsContact C-N 3.33Å; F38-G40 PolarHBondContact O-N 2.91Å
41E87.3Confident89.6Confident84 Ų8458.1 Ų58.139%0.39333%0.329SS..Hα-helixtrans-97.2-28.3-179.2-64.7-65.9143.100113.2V3 F38 E39 F205V3-E41 HydrophobicContact CG2-CG 4.04Å; F38-E41 PolarHBondContact O-N 2.85Å; E39-E41 VanDerWaalsContact C-N 3.26Å; E39-E41 PolarHBondContact O-N 3.49Å; E41-F205 HydrophobicContact CB-CE1 4.38Å; E41-F205 HydrophobicContact CB-CZ 3.97Å; E41-F205 HydrophobicContact CG-CE1 4.31Å; E41-F205 HydrophobicContact CG-CZ 4.36Å
42L88.5Confident89.8Confident0 Ų056.6 Ų56.60%032%0.319CS..Hα-helixtrans-109.5-26.2-167.8-59.6175.2000114.3L19 C24 F38 E39 E44 T45 I46 V48 C203 F205L19-L42 HydrophobicContact CD1-CD1 3.63Å; L19-L42 HydrophobicContact CD1-CD2 4.16Å; C24-L42 HydrophobicContact CB-CD1 3.86Å; F38-L42 HydrophobicContact CB-CD1 4.37Å; F38-L42 HydrophobicContact CD1-CD1 3.89Å; F38-L42 WeakPolarHBondContact O-CB 3.39Å; F38-L42 VanDerWaalsContact O-CG 3.3Å; F38-L42 WeakPolarHBondContact O-CG 3.14Å; F38-L42 PolarHBondContact O-N 3.39Å; E39-L42 PolarHBondContact O-N 3.07Å; L42-E44 PolarHBondContact O-N 3.26Å; L42-T45 PolarHBondContact O-N 3.42Å; L42-T45 PolarHBondContact O-OG1 3.04Å; L42-I46 HydrophobicContact CB-CD1 4.34Å; L42-I46 HydrophobicContact CB-CG1 3.82Å; L42-I46 HydrophobicContact CD1-CD1 4.19Å; L42-I46 HydrophobicContact CD2-CD1 3.89Å; L42-I46 HydrophobicContact CD2-CG1 4.13Å; L42-I46 HydrophobicContact CG-CD1 4.36Å; L42-I46 HydrophobicContact CG-CG1 4.37Å; L42-I46 PolarHBondContact O-N 3.07Å; L42-I46 VanDerWaalsContact O-O 3.04Å; L42-V48 HydrophobicContact CB-CG2 3.85Å; L42-V48 HydrophobicContact CD1-CG2 4.23Å; L42-C203 HydrophobicContact CD2-CB 4.47Å; L42-F205 HydrophobicContact CD1-CE2 3.81Å; L42-F205 HydrophobicContact CD1-CZ 3.92Å; L42-F205 HydrophobicContact CD2-CE2 4.24Å; L42-F205 HydrophobicContact CD2-CZ 4.36Å; L42-F205 HydrophobicContact CG-CE2 4.14Å; L42-F205 HydrophobicContact CG-CZ 3.95Å
43S82Confident90Very high78 Ų7849.1 Ų49.155%0.54528%0.284SS..THydrogen-bonded Turntrans-59.5-28-167.459.80000114.5E39 T45E39-S43 WeakPolarHBondContact O-CB 3.46Å; E39-S43 PolarHBondContact O-N 3.27Å; E39-S43 PolarHBondContact O-OG 3.02Å; S43-T45 VanDerWaalsContact C-N 3.35Å
44E81.8Confident90.1Very high189 Ų18944 Ų4488%0.88326%0.26SS*.THydrogen-bonded Turntrans-75.7-22.5177.4-61.2-171.9171.400113.4L42L42-E44 PolarHBondContact O-N 3.26Å
45T84.8Confident90Very high91 Ų9147 Ų4756%0.55829%0.291SS*.THydrogen-bonded Turntrans-114.5-41.9-170.652.30000113.7L42 S43L42-T45 PolarHBondContact O-N 3.42Å; L42-T45 PolarHBondContact O-OG1 3.04Å; S43-T45 VanDerWaalsContact C-N 3.35Å
46I92.1Very high90Very high8 Ų848 Ų484%0.04130%0.302CS..SBendtrans-137.2146.4-176.763.4175000111.7L19 C24 L42 V48 W202L19-I46 HydrophobicContact CD1-CD1 3.78Å; C24-I46 HydrophobicContact CB-CD1 4.06Å; L42-I46 HydrophobicContact CB-CD1 4.34Å; L42-I46 HydrophobicContact CB-CG1 3.82Å; L42-I46 HydrophobicContact CD1-CD1 4.19Å; L42-I46 HydrophobicContact CD2-CD1 3.89Å; L42-I46 HydrophobicContact CD2-CG1 4.13Å; L42-I46 HydrophobicContact CG-CD1 4.36Å; L42-I46 HydrophobicContact CG-CG1 4.37Å; L42-I46 PolarHBondContact O-N 3.07Å; L42-I46 VanDerWaalsContact O-O 3.04Å; I46-V48 PolarHBondContact O-N 3.38Å; I46-W202 HydrophobicContact CD1-CZ2 4.38Å; I46-W202 HydrophobicContact CG2-CH2 4.13Å; I46-W202 HydrophobicContact CG2-CZ2 3.96Å
47P92.5Very high90Very high52 Ų5249.9 Ų49.934%0.33830%0.298SS..  trans-66.5129.2174.527.2-34.7000111.1T22 C24 V49 P89T22-P47 WeakPolarHBondContact O-CD 3.34Å; C24-P47 PolarHBondContact N-O 2.98Å; P47-V49 HydrophobicContact CB-CG2 4.36Å; P47-P89 HydrophobicContact CG-CG 4.49Å
48V92.7Very high90.1Very high27 Ų2751.4 Ų51.416%0.16430%0.304CS..EExtended strand (participates in β ladder)trans-96114.1169.6-178.90000107.9C24 V26 F38 E39 L42 I46C24-V48 HydrophobicContact CB-CG2 4.3Å; C24-V48 WeakPolarHBondContact O-CA 3.43Å; V26-V48 HydrophobicContact CG1-CG1 4.13Å; V26-V48 HydrophobicContact CG2-CG1 3.51Å; F38-V48 HydrophobicContact CB-CG1 4.34Å; E39-V48 HydrophobicContact CG-CB 4.26Å; E39-V48 HydrophobicContact CG-CG1 4.28Å; E39-V48 HydrophobicContact CG-CG2 4.38Å; L42-V48 HydrophobicContact CB-CG2 3.85Å; L42-V48 HydrophobicContact CD1-CG2 4.23Å; I46-V48 PolarHBondContact O-N 3.38Å
49V93.5Very high90.2Very high7 Ų751.4 Ų51.44%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-111.8118.3-172.4-176.60000110.4C24 L25 V26 P47 A51 L88C24-V49 PolarHBondContact O-N 2.96Å; L25-V49 WeakPolarHBondContact CA-O 3.37Å; L25-V49 HydrophobicContact CD2-CB 3.93Å; L25-V49 HydrophobicContact CD2-CG1 4.36Å; V26-V49 WeakPolarHBondContact CG2-O 3.45Å; V26-V49 PolarHBondContact N-O 2.66Å; P47-V49 HydrophobicContact CB-CG2 4.36Å; V49-A51 PolarHBondContact O-N 3.05Å; V49-L88 HydrophobicContact CG2-CD1 4.01Å
50H93.9Very high90.2Very high61 Ų6148 Ų4828%0.28229%0.29SS..EExtended strand (participates in β ladder)trans-74.5113.5171.4-58.5122.2000110.1V26 I28 Y35 E39 H83V26-H50 WeakPolarHBondContact CG2-CD2 3.36Å; V26-H50 WeakPolarHBondContact O-CA 3.41Å; I28-H50 HydrophobicContact CG2-CB 4.22Å; Y35-H50 AromaticContact CD1-CD2 3.59Å; Y35-H50 AromaticContact CD1-NE2 3.22Å; Y35-H50 WeakPolarHBondContact CD1-NE2 3.27Å; Y35-H50 AromaticContact CD2-NE2 3.97Å; Y35-H50 AromaticContact CE1-CD2 3.37Å; Y35-H50 WeakPolarHBondContact CE1-CD2 3.34Å; Y35-H50 AromaticContact CE1-NE2 3.53Å; Y35-H50 AromaticContact CG-NE2 3.46Å; Y35-H50 AromaticContact CZ-CD2 3.76Å; Y35-H50 AromaticContact CZ-NE2 4Å; E39-H50 IonicContact OE1-CE1 3.19Å; E39-H50 IonicContact OE1-NE2 3.04Å; H50-H83 PolarHBondContact O-CD2 2.93Å; H50-H83 PolarHBondContact O-NE2 3.03Å
51A92.8Very high90.4Very high4 Ų446.4 Ų46.43%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-141.7156.6-178.500000112.6V26 I28 V49 I59 I84V26-A51 PolarHBondContact O-N 3.15Å; I28-A51 PolarHBondContact N-O 3.06Å; V49-A51 PolarHBondContact O-N 3.05Å; A51-I59 WeakPolarHBondContact O-CG2 3.47Å; A51-I84 HydrophobicContact CB-CD1 4.35Å; A51-I84 HydrophobicContact CB-CG1 4.1Å
52S93.9Very high90.7Very high22 Ų2243.5 Ų43.515%0.15425%0.251CS..  trans-110.9156158.455.80000109.1E80S52-E80 VanDerWaalsContact CB-OE1 3.31Å; S52-E80 WeakPolarHBondContact CB-OE1 3.44Å; S52-E80 VanDerWaalsContact O-CD 3.25Å; S52-E80 VanDerWaalsContact O-CG 3.32Å; S52-E80 WeakPolarHBondContact O-CG 3.39Å; S52-E80 PolarHBondContact OG-OE1 3.14Å
53I92Very high90.9Very high0 Ų043.5 Ų43.50%025%0.251CS..BIsolated β-bridgetrans-125.9119.2174-64.6179.7000107.1G55 C56 I59 M62 C63 V72 P73 T76 E80I53-G55 PolarHBondContact O-N 3.4Å; I53-C56 PolarHBondContact N-O 2.85Å; I53-C56 WeakPolarHBondContact O-CB 3.23Å; I53-C56 PolarHBondContact O-N 2.96Å; I53-I59 HydrophobicContact CB-CG2 4.23Å; I53-I59 HydrophobicContact CD1-CB 4.02Å; I53-I59 HydrophobicContact CD1-CG2 4.12Å; I53-I59 HydrophobicContact CG1-CB 4.31Å; I53-I59 HydrophobicContact CG1-CG2 3.84Å; I53-M62 HydrophobicContact CB-CB 4.22Å; I53-M62 HydrophobicContact CG2-CB 3.84Å; I53-C63 HydrophobicContact CD1-CB 3.59Å; I53-V72 HydrophobicContact CD1-CG1 4.46Å; I53-P73 HydrophobicContact CG2-CG 3.58Å; I53-T76 HydrophobicContact CG2-CG2 4.47Å; I53-T76 WeakPolarHBondContact CG2-OG1 3.43Å; I53-E80 PolarHBondContact N-OE1 2.94Å
54A90.1Very high91.4Very high23 Ų2339.8 Ų39.819%0.1923%0.226CC..THydrogen-bonded Turntrans57.137.2-177.200000113.1C56 N75 E80A54-C56 PolarHBondContact O-N 3.43Å; A54-C56 VanDerWaalsContact O-N 3.13Å; A54-N75 HydrophobicContact CB-CB 3.96Å; A54-N75 WeakPolarHBondContact CB-ND2 3.34Å; A54-N75 WeakPolarHBondContact CB-O 3.28Å; A54-N75 VanDerWaalsContact CB-OD1 3.24Å; A54-N75 WeakPolarHBondContact CB-OD1 3.46Å; A54-E80 PolarHBondContact N-OE1 3.24Å; A54-E80 PolarHBondContact N-OE2 2.99Å
55G88.9Confident92Very high64 Ų6431 Ų3166%0.6619%0.186SC*.THydrogen-bonded Turntrans67.17.4-175.600000114.4I53 E80I53-G55 PolarHBondContact O-N 3.4Å; G55-E80 PolarHBondContact N-OE1 3.38Å
56C90.8Very high92.5Very high51 Ų5126.9 Ų26.935%0.34516%0.16SC..BIsolated β-bridgetrans-100.3148.8-179.5-66.60000111.5I53 A54 I58I53-C56 PolarHBondContact N-O 2.85Å; I53-C56 WeakPolarHBondContact O-CB 3.23Å; I53-C56 PolarHBondContact O-N 2.96Å; A54-C56 PolarHBondContact O-N 3.43Å; A54-C56 VanDerWaalsContact O-N 3.13Å; C56-I58 HydrophobicContact CB-CG1 3.92Å
57R91.9Very high92.5Very high112 Ų11231.3 Ų31.342%0.42318%0.177SC..SBendtrans-84.6-12.5175.1-63.6-175.5-72163.34.6113.2E8 A27 I28 I59E8-R57 VanDerWaalsContact CD-NH1 3.28Å; E8-R57 IonicContact OE1-NH1 3.34Å; E8-R57 PolarHBondContact OE1-NH1 2.98Å; E8-R57 VanDerWaalsContact OE1-NH1 3.15Å; E8-R57 IonicContact OE2-CZ 2.89Å; E8-R57 IonicContact OE2-NH1 3.42Å; E8-R57 PolarHBondContact OE2-NH1 3.49Å; E8-R57 IonicContact OE2-NH2 2.67Å; A27-R57 HydrophobicContact CB-CB 4.29Å; A27-R57 WeakPolarHBondContact CB-O 3.32Å; I28-R57 WeakPolarHBondContact O-CD 3.38Å; R57-I59 PolarHBondContact O-N 3.48Å
58I92.5Very high92.6Very high72 Ų7231 Ų3137%0.36917%0.17SC..  trans-83.151.6-176.751.9160.8000112.7C15 F16 C56 G60 R61 M62C15-I58 CarbonylContact O-C 3.56Å; C15-I58 WeakPolarHBondContact O-CA 3.49Å; F16-I58 HydrophobicContact CE1-CG2 4.26Å; C56-I58 HydrophobicContact CB-CG1 3.92Å; I58-G60 VanDerWaalsContact C-N 3.28Å; I58-G60 PolarHBondContact O-N 2.77Å; I58-R61 PolarHBondContact O-N 2.75Å; I58-M62 HydrophobicContact CD1-CG 4.11Å; I58-M62 HydrophobicContact CD1-SD 4.2Å; I58-M62 HydrophobicContact CG1-CG 3.95Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.43Å; I58-M62 PolarHBondContact O-N 3.4Å; I58-M62 VanDerWaalsContact O-N 3.16Å
59I93.2Very high92.6Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-60.3-36-171.557.3156.5000113C15 F16 L25 V26 A27 A51 I53 R57 R61 M62 C63C15-I59 PolarHBondContact O-N 2.92Å; F16-I59 WeakPolarHBondContact O-CD1 3.42Å; F16-I59 WeakPolarHBondContact O-CG1 3.3Å; L25-I59 HydrophobicContact CB-CD1 3.61Å; L25-I59 WeakPolarHBondContact O-CD1 3.31Å; V26-I59 VanDerWaalsContact CA-CD1 3.47Å; V26-I59 VanDerWaalsContact N-CD1 3.35Å; A27-I59 HydrophobicContact CB-CG1 4.26Å; A51-I59 WeakPolarHBondContact O-CG2 3.47Å; I53-I59 HydrophobicContact CB-CG2 4.23Å; I53-I59 HydrophobicContact CD1-CB 4.02Å; I53-I59 HydrophobicContact CD1-CG2 4.12Å; I53-I59 HydrophobicContact CG1-CB 4.31Å; I53-I59 HydrophobicContact CG1-CG2 3.84Å; R57-I59 PolarHBondContact O-N 3.48Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 3.43Å; I59-M62 PolarHBondContact O-N 3.36Å; I59-M62 VanDerWaalsContact O-N 3.14Å; I59-C63 PolarHBondContact O-N 2.92Å; I59-C63 PolarHBondContact O-SG 3.24Å
60G91.1Very high92.7Very high4 Ų429.4 Ų29.44%0.04116%0.161CC..Hα-helixtrans-68-27.6-175.600000112.9G14 C15 A17 I58G14-G60 CarbonylContact O-C 3.59Å; G14-G60 WeakPolarHBondContact O-CA 3.47Å; C15-G60 PolarHBondContact O-N 3.1Å; A17-G60 WeakPolarHBondContact O-CA 3.38Å; I58-G60 VanDerWaalsContact C-N 3.28Å; I58-G60 PolarHBondContact O-N 2.77Å
61R92.1Very high92.7Very high25 Ų2526.5 Ų26.59%0.09415%0.147CC..Hα-helixtrans-85.6-29.2172.4-57.4-41.8-162.1128.96.2113.3C15 I58 I59 A103 G105 N106 S150C15-R61 HydrophobicContact CB-CG 4.25Å; C15-R61 PolarHBondContact SG-NE 3.03Å; I58-R61 PolarHBondContact O-N 2.75Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 3.43Å; R61-A103 VanDerWaalsContact O-CB 3.26Å; R61-A103 WeakPolarHBondContact O-CB 3.45Å; R61-G105 WeakPolarHBondContact O-CA 3.18Å; R61-G105 PolarHBondContact O-N 3.03Å; R61-N106 WeakPolarHBondContact CD-OD1 3.12Å; R61-N106 PolarHBondContact NH1-OD1 2.81Å; R61-S150 PolarHBondContact NH1-OG 3.26Å
62M92.8Very high92.8Very high24 Ų2426.3 Ų26.312%0.11815%0.146CC..Hα-helixtrans-80.7-28.5-176.3-67-61.1-78.800112.7I53 I58 I59 P73 A103I53-M62 HydrophobicContact CB-CB 4.22Å; I53-M62 HydrophobicContact CG2-CB 3.84Å; I58-M62 HydrophobicContact CD1-CG 4.11Å; I58-M62 HydrophobicContact CD1-SD 4.2Å; I58-M62 HydrophobicContact CG1-CG 3.95Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.43Å; I58-M62 PolarHBondContact O-N 3.4Å; I58-M62 VanDerWaalsContact O-N 3.16Å; I59-M62 PolarHBondContact O-N 3.36Å; I59-M62 VanDerWaalsContact O-N 3.14Å; M62-P73 HydrophobicContact CB-CG 4.38Å; M62-P73 HydrophobicContact CE-CB 4.46Å; M62-P73 HydrophobicContact CE-CG 3.87Å; M62-P73 WeakPolarHBondContact O-CD 3.39Å; M62-A103 HydrophobicContact SD-CB 3.94Å
63C93Very high92.8Very high0 Ų026 Ų260%014%0.143CC..  trans-117.1156.3-179.770.80000113.6I53 I59 L70 L71 V72I53-C63 HydrophobicContact CD1-CB 3.59Å; I59-C63 PolarHBondContact O-N 2.92Å; I59-C63 PolarHBondContact O-SG 3.24Å; C63-L70 HydrophobicContact CB-CD1 4.03Å; C63-L71 WeakPolarHBondContact CA-O 3.27Å; C63-L71 VanDerWaalsContact CB-O 3.31Å; C63-L71 WeakPolarHBondContact CB-O 3.41Å; C63-V72 HydrophobicContact CB-CG1 4.49Å
64V94.1Very high92.7Very high0 Ų030.4 Ų30.40%017%0.167CC..EExtended strand (participates in β ladder)trans-132.5145168.664.70000108.7L71 L104 V108 C110V64-L71 HydrophobicContact CG1-CB 3.82Å; V64-L71 HydrophobicContact CG1-CD1 3.89Å; V64-L71 HydrophobicContact CG1-CG 4.26Å; V64-L71 PolarHBondContact N-O 3.22Å; V64-L71 PolarHBondContact O-N 3.09Å; V64-L104 HydrophobicContact CG1-CB 4.2Å; V64-V108 HydrophobicContact CB-CB 4.26Å; V64-V108 HydrophobicContact CB-CG1 4.43Å; V64-V108 HydrophobicContact CG1-CB 4.12Å; V64-V108 HydrophobicContact CG1-CG1 4.25Å; V64-V108 HydrophobicContact CG1-CG2 4.3Å; V64-V108 HydrophobicContact CG2-CB 3.93Å; V64-V108 HydrophobicContact CG2-CG1 3.68Å; V64-C110 WeakPolarHBondContact CG2-SG 3.3Å
65G93.6Very high92.8Very high5 Ų533.7 Ų33.75%0.05218%0.181CC..EExtended strand (participates in β ladder)trans-171.4159.5-178.100000111.6T20 Y23 G69T20-G65 WeakPolarHBondContact CG2-O 3.49Å; Y23-G65 WeakPolarHBondContact OH-CA 3.23Å; G65-G69 CarbonylContact C-O 2.91Å; G65-G69 WeakPolarHBondContact CA-O 3.39Å
66N94.3Very high92.9Very high4 Ų430.9 Ų30.92%0.02115%0.151CC..  trans-132.2-166.217671.9-4.7000108.3Y23 H68 G69 N111 L133 V135Y23-N66 VanDerWaalsContact CE1-O 3.26Å; Y23-N66 WeakPolarHBondContact CE1-O 3.41Å; Y23-N66 PolarHBondContact OH-O 3.02Å; N66-H68 PolarHBondContact O-N 3.36Å; N66-H68 VanDerWaalsContact O-N 3.13Å; N66-H68 WeakPolarHBondContact OD1-CA 3.47Å; N66-H68 WeakPolarHBondContact OD1-CB 3.28Å; N66-H68 PolarHBondContact OD1-N 3.47Å; N66-G69 PolarHBondContact N-O 2.97Å; N66-G69 PolarHBondContact OD1-N 3.18Å; N66-N111 WeakPolarHBondContact CB-O 3.47Å; N66-N111 PolarHBondContact ND2-O 2.96Å; N66-L133 PolarHBondContact ND2-O 3.26Å; N66-V135 VanDerWaalsContact ND2-CG1 3.34Å; N66-V135 WeakPolarHBondContact ND2-CG1 3.1Å
67R93.3Very high93.1Very high101 Ų10131.6 Ų31.638%0.38115%0.154SC..SBendtrans-64.5-17.8179.777.1178.9-167.2172.65.7115.3N21 T22 D112N21-R67 HydrophobicContact CB-CB 4.29Å; T22-R67 HydrophobicContact CG2-CB 3.71Å; T22-R67 VanDerWaalsContact OG1-CA 3.31Å; T22-R67 WeakPolarHBondContact OG1-CA 3.39Å; T22-R67 PolarHBondContact OG1-O 2.73Å; R67-D112 WeakPolarHBondContact CB-OD1 3.32Å; R67-D112 WeakPolarHBondContact CD-OD2 3.36Å; R67-D112 HydrophobicContact CG-CB 4.28Å; R67-D112 VanDerWaalsContact CG-OD1 3.29Å; R67-D112 WeakPolarHBondContact CG-OD1 3.48Å; R67-D112 PolarHBondContact N-OD1 3.31Å
68H93.6Very high93.1Very high45 Ų4531.9 Ų31.921%0.20816%0.164CC..SBendtrans-99.6-29.3-171.9-67.4-52.3000113.2N66 V92 R93 L133 K134N66-H68 PolarHBondContact O-N 3.36Å; N66-H68 VanDerWaalsContact O-N 3.13Å; N66-H68 WeakPolarHBondContact OD1-CA 3.47Å; N66-H68 WeakPolarHBondContact OD1-CB 3.28Å; N66-H68 PolarHBondContact OD1-N 3.47Å; H68-V92 WeakPolarHBondContact O-CA 3.38Å; H68-R93 PolarHBondContact O-N 2.84Å; H68-L133 WeakPolarHBondContact CB-O 3.48Å; H68-K134 HydrophobicContact CB-CD 4.42Å; H68-K134 HydrophobicContact CB-CG 4.49Å
69G93.9Very high93.2Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-160.9161.9-17500000114.2Y23 G65 N66 R93 L133Y23-G69 PolarHBondContact OH-O 3.42Å; G65-G69 CarbonylContact C-O 2.91Å; G65-G69 WeakPolarHBondContact CA-O 3.39Å; N66-G69 PolarHBondContact N-O 2.97Å; N66-G69 PolarHBondContact OD1-N 3.18Å; G69-R93 CarbonylContact C-O 3.57Å; G69-R93 WeakPolarHBondContact CA-O 3.46Å; G69-L133 WeakPolarHBondContact O-CD2 3.5Å
70L95.3Very high93.2Very high0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-128.3121.8176.1-17971.1000109.1Y23 L25 C63 V72 I84 L88 V92 R93 I94 Q95Y23-L70 HydrophobicContact CE2-CD1 4.03Å; Y23-L70 WeakPolarHBondContact OH-CB 3.45Å; L25-L70 HydrophobicContact CD1-CD1 3.83Å; L25-L70 HydrophobicContact CD1-CD2 3.8Å; L25-L70 HydrophobicContact CD1-CG 4.49Å; C63-L70 HydrophobicContact CB-CD1 4.03Å; L70-V72 HydrophobicContact CD2-CG1 4.01Å; L70-V72 HydrophobicContact CG-CG1 4.06Å; L70-I84 HydrophobicContact CD2-CG2 3.67Å; L70-L88 HydrophobicContact CD2-CD2 4.11Å; L70-V92 HydrophobicContact CB-CG1 4.31Å; L70-R93 PolarHBondContact N-O 3.18Å; L70-I94 HydrophobicContact CB-CG1 4.18Å; L70-I94 HydrophobicContact CD2-CG1 4.41Å; L70-I94 WeakPolarHBondContact O-CA 3.42Å; L70-Q95 PolarHBondContact O-N 3.18Å
71L94.4Very high93.3Very high1 Ų137.5 Ų37.51%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-96.6126.5172.2-58.9179.9000109.5C63 V64 Q95 V97 L104 I128 L129 T132 L133C63-L71 WeakPolarHBondContact CA-O 3.27Å; C63-L71 VanDerWaalsContact CB-O 3.31Å; C63-L71 WeakPolarHBondContact CB-O 3.41Å; V64-L71 HydrophobicContact CG1-CB 3.82Å; V64-L71 HydrophobicContact CG1-CD1 3.89Å; V64-L71 HydrophobicContact CG1-CG 4.26Å; V64-L71 PolarHBondContact N-O 3.22Å; V64-L71 PolarHBondContact O-N 3.09Å; L71-Q95 WeakPolarHBondContact CA-O 3.5Å; L71-Q95 HydrophobicContact CD2-CB 3.96Å; L71-V97 HydrophobicContact CB-CG2 4.31Å; L71-V97 HydrophobicContact CD1-CG2 4.39Å; L71-V97 HydrophobicContact CD2-CG2 3.78Å; L71-V97 HydrophobicContact CG-CG2 4.38Å; L71-L104 HydrophobicContact CB-CD1 4.21Å; L71-I128 HydrophobicContact CD2-CG2 4.48Å; L71-L129 HydrophobicContact CD1-CB 4.01Å; L71-L129 HydrophobicContact CD1-CD1 3.96Å; L71-L129 HydrophobicContact CD1-CG 3.76Å; L71-T132 HydrophobicContact CD2-CG2 3.65Å; L71-L133 HydrophobicContact CD1-CD1 4.31Å; L71-L133 HydrophobicContact CD1-CG 4.4Å; L71-L133 HydrophobicContact CG-CD2 4.43Å
72V94.1Very high93.4Very high0 Ų040.9 Ų40.90%021%0.205CC..EExtended strand (participates in β ladder)trans-120.3149.6177.2-63.60000109.8I53 C63 L70 L81 I94 Q95 R96 V97I53-V72 HydrophobicContact CD1-CG1 4.46Å; C63-V72 HydrophobicContact CB-CG1 4.49Å; L70-V72 HydrophobicContact CD2-CG1 4.01Å; L70-V72 HydrophobicContact CG-CG1 4.06Å; V72-L81 HydrophobicContact CG2-CD1 4.19Å; V72-I94 HydrophobicContact CG2-CG2 4.35Å; V72-Q95 PolarHBondContact N-O 2.85Å; V72-R96 HydrophobicContact CG2-CG 3.83Å; V72-R96 CarbonylContact O-C 3.56Å; V72-R96 VanDerWaalsContact O-CA 3.31Å; V72-R96 WeakPolarHBondContact O-CA 3.48Å; V72-V97 PolarHBondContact O-N 3.34Å
73P93.5Very high93.4Very high16 Ų1643.8 Ų43.810%0.10422%0.218CC..EExtended strand (participates in β ladder)trans-71.2155.2-179.328.8-33.4000111.2I53 M62 N75 T76 L104I53-P73 HydrophobicContact CG2-CG 3.58Å; M62-P73 HydrophobicContact CB-CG 4.38Å; M62-P73 HydrophobicContact CE-CB 4.46Å; M62-P73 HydrophobicContact CE-CG 3.87Å; M62-P73 WeakPolarHBondContact O-CD 3.39Å; P73-N75 WeakPolarHBondContact CB-OD1 3.29Å; P73-N75 WeakPolarHBondContact CG-OD1 3.4Å; P73-N75 PolarHBondContact O-N 3.48Å; P73-N75 VanDerWaalsContact O-N 3.14Å; P73-T76 WeakPolarHBondContact CD-OG1 3.36Å; P73-T76 VanDerWaalsContact O-CB 3.3Å; P73-T76 WeakPolarHBondContact O-CB 3.43Å; P73-T76 PolarHBondContact O-N 2.95Å; P73-T76 PolarHBondContact O-OG1 2.81Å; P73-L104 HydrophobicContact CB-CD1 4.47Å
74N90.8Very high93.4Very high92 Ų9243.8 Ų43.849%0.49222%0.218SC..THydrogen-bonded Turntrans-61.2-23.7-176.9-165.731000114.2T76 V97 E98N74-T76 PolarHBondContact O-N 2.77Å; N74-V97 PolarHBondContact N-O 3.16Å; N74-E98 HydrophobicContact CB-CB 4.34Å
75N90.9Very high93.3Very high92 Ų9249.9 Ų49.949%0.49224%0.241SC..THydrogen-bonded Turntrans-76-2.5176.262.4-5.3000114.2A54 P73 T77A54-N75 HydrophobicContact CB-CB 3.96Å; A54-N75 WeakPolarHBondContact CB-ND2 3.34Å; A54-N75 WeakPolarHBondContact CB-O 3.28Å; A54-N75 VanDerWaalsContact CB-OD1 3.24Å; A54-N75 WeakPolarHBondContact CB-OD1 3.46Å; P73-N75 WeakPolarHBondContact CB-OD1 3.29Å; P73-N75 WeakPolarHBondContact CG-OD1 3.4Å; P73-N75 PolarHBondContact O-N 3.48Å; P73-N75 VanDerWaalsContact O-N 3.14Å; N75-T77 PolarHBondContact O-N 3.42Å
76T92.9Very high93.2Very high4 Ų455.3 Ų55.33%0.02527%0.269CS..  trans-65.8127.6177-52.50000110.3I53 P73 N74 E80 L81 R96I53-T76 HydrophobicContact CG2-CG2 4.47Å; I53-T76 WeakPolarHBondContact CG2-OG1 3.43Å; P73-T76 WeakPolarHBondContact CD-OG1 3.36Å; P73-T76 VanDerWaalsContact O-CB 3.3Å; P73-T76 WeakPolarHBondContact O-CB 3.43Å; P73-T76 PolarHBondContact O-N 2.95Å; P73-T76 PolarHBondContact O-OG1 2.81Å; N74-T76 PolarHBondContact O-N 2.77Å; T76-E80 HydrophobicContact CG2-CB 3.93Å; T76-L81 HydrophobicContact CG2-CB 4.49Å; T76-R96 PolarHBondContact O-NE 3.31Å; T76-R96 PolarHBondContact O-NH2 2.99Å
77T94.2Very high93.1Very high66 Ų6657.1 Ų57.141%0.40528%0.281SS..  trans-68.8157-178.366.10000111.9N75 Q79 E80 L81 R96N75-T77 PolarHBondContact O-N 3.42Å; T77-Q79 PolarHBondContact O-N 3.04Å; T77-E80 PolarHBondContact N-OE2 2.95Å; T77-E80 PolarHBondContact O-N 3.02Å; T77-E80 WeakPolarHBondContact OG1-CB 3.26Å; T77-E80 VanDerWaalsContact OG1-CD 3.23Å; T77-E80 WeakPolarHBondContact OG1-CG 3.42Å; T77-E80 PolarHBondContact OG1-N 3.21Å; T77-E80 PolarHBondContact OG1-OE2 2.99Å; T77-L81 WeakPolarHBondContact O-CB 3.44Å; T77-L81 PolarHBondContact O-N 3.28Å; T77-R96 VanDerWaalsContact C-NH2 3.32Å; T77-R96 PolarHBondContact O-NH2 3.14Å
78D92.8Very high93Very high118 Ų11852.8 Ų52.863%0.63127%0.266SS*.Hα-helixtrans-65.7-30.2177.4-63.9-32000112.4L81 Q82 R96D78-L81 PolarHBondContact O-N 3.09Å; D78-Q82 WeakPolarHBondContact O-CB 3.47Å; D78-Q82 PolarHBondContact O-N 3.04Å; D78-R96 IonicContact OD1-CZ 3.75Å; D78-R96 VanDerWaalsContact OD1-CZ 3.22Å; D78-R96 IonicContact OD1-NH1 2.79Å; D78-R96 PolarHBondContact OD1-NH1 2.91Å; D78-R96 IonicContact OD1-NH2 3.15Å; D78-R96 PolarHBondContact OD1-NH2 3.06Å
79Q93.9Very high92.8Very high169 Ų16953.1 Ų53.179%0.7927%0.272SS*.Hα-helixtrans-67.2-47.3175.8-67.7-176-3.500111.7T77 L81 Q82 H83T77-Q79 PolarHBondContact O-N 3.04Å; Q79-L81 VanDerWaalsContact C-N 3.3Å; Q79-L81 PolarHBondContact O-N 3Å; Q79-Q82 PolarHBondContact O-N 3.16Å; Q79-H83 WeakPolarHBondContact O-CB 3.27Å; Q79-H83 PolarHBondContact O-N 3.02Å
80E93.7Very high92.5Very high18 Ų1861.3 Ų61.38%0.08432%0.316CS..Hα-helixtrans-59.6-44174.9-72.6166.3148.400110.8S52 I53 A54 G55 T76 T77 Q82 H83 I84S52-E80 VanDerWaalsContact CB-OE1 3.31Å; S52-E80 WeakPolarHBondContact CB-OE1 3.44Å; S52-E80 VanDerWaalsContact O-CD 3.25Å; S52-E80 VanDerWaalsContact O-CG 3.32Å; S52-E80 WeakPolarHBondContact O-CG 3.39Å; S52-E80 PolarHBondContact OG-OE1 3.14Å; I53-E80 PolarHBondContact N-OE1 2.94Å; A54-E80 PolarHBondContact N-OE1 3.24Å; A54-E80 PolarHBondContact N-OE2 2.99Å; G55-E80 PolarHBondContact N-OE1 3.38Å; T76-E80 HydrophobicContact CG2-CB 3.93Å; T77-E80 PolarHBondContact N-OE2 2.95Å; T77-E80 PolarHBondContact O-N 3.02Å; T77-E80 WeakPolarHBondContact OG1-CB 3.26Å; T77-E80 VanDerWaalsContact OG1-CD 3.23Å; T77-E80 WeakPolarHBondContact OG1-CG 3.42Å; T77-E80 PolarHBondContact OG1-N 3.21Å; T77-E80 PolarHBondContact OG1-OE2 2.99Å; E80-Q82 PolarHBondContact O-N 3.34Å; E80-H83 WeakPolarHBondContact O-CB 3.3Å; E80-H83 PolarHBondContact O-N 3.32Å; E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.29Å; E80-I84 PolarHBondContact O-N 2.98Å
81L92.4Very high92.2Very high8 Ų865.4 Ų65.44%0.04235%0.349CS..Hα-helixtrans-66.8-40.9-178.5-159.2154.3000111.7V72 T76 T77 D78 Q79 H83 I84 R85 I94 R96V72-L81 HydrophobicContact CG2-CD1 4.19Å; T76-L81 HydrophobicContact CG2-CB 4.49Å; T77-L81 WeakPolarHBondContact O-CB 3.44Å; T77-L81 PolarHBondContact O-N 3.28Å; D78-L81 PolarHBondContact O-N 3.09Å; Q79-L81 VanDerWaalsContact C-N 3.3Å; Q79-L81 PolarHBondContact O-N 3Å; L81-H83 VanDerWaalsContact C-N 3.34Å; L81-I84 PolarHBondContact O-N 3.37Å; L81-R85 HydrophobicContact CD2-CG 4.01Å; L81-R85 VanDerWaalsContact CD2-NH1 3.35Å; L81-R85 WeakPolarHBondContact O-CB 3.4Å; L81-R85 WeakPolarHBondContact O-CG 3.44Å; L81-R85 PolarHBondContact O-N 3.13Å; L81-I94 HydrophobicContact CD2-CG2 4.41Å; L81-I94 HydrophobicContact CG-CG2 4.27Å; L81-R96 HydrophobicContact CD1-CG 3.74Å
82Q93.3Very high92.1Very high96 Ų9665.9 Ų65.945%0.44935%0.352SS..Hα-helixtrans-63.8-40.7174.8-170.564.33600111.7D78 Q79 E80 R85 N86D78-Q82 WeakPolarHBondContact O-CB 3.47Å; D78-Q82 PolarHBondContact O-N 3.04Å; Q79-Q82 PolarHBondContact O-N 3.16Å; E80-Q82 PolarHBondContact O-N 3.34Å; Q82-R85 PolarHBondContact O-N 3.36Å; Q82-N86 PolarHBondContact NE2-OD1 2.83Å; Q82-N86 WeakPolarHBondContact O-CB 3.42Å; Q82-N86 PolarHBondContact O-N 2.84Å; Q82-N86 PolarHBondContact O-ND2 3.39Å; Q82-N86 PolarHBondContact O-OD1 2.79Å
83H93.5Very high92.1Very high84 Ų8472.2 Ų72.239%0.38938%0.376SS..Hα-helixtrans-61.2-47.1176.5177.265.1000112.1H50 Q79 E80 L81 N86 S87H50-H83 PolarHBondContact O-CD2 2.93Å; H50-H83 PolarHBondContact O-NE2 3.03Å; Q79-H83 WeakPolarHBondContact O-CB 3.27Å; Q79-H83 PolarHBondContact O-N 3.02Å; E80-H83 WeakPolarHBondContact O-CB 3.3Å; E80-H83 PolarHBondContact O-N 3.32Å; L81-H83 VanDerWaalsContact C-N 3.34Å; H83-N86 PolarHBondContact O-N 2.76Å; H83-S87 WeakPolarHBondContact O-CB 3.45Å; H83-S87 PolarHBondContact O-N 3.02Å; H83-S87 PolarHBondContact O-OG 3.49Å
84I92.8Very high92.1Very high0 Ų072.3 Ų72.30%038%0.376CS..Hα-helixtrans-61.8-47176.1-65.8169.1000109.8A51 L70 E80 L81 N86 S87 L88 I94A51-I84 HydrophobicContact CB-CD1 4.35Å; A51-I84 HydrophobicContact CB-CG1 4.1Å; L70-I84 HydrophobicContact CD2-CG2 3.67Å; E80-I84 VanDerWaalsContact O-CG1 3.27Å; E80-I84 WeakPolarHBondContact O-CG1 3.29Å; E80-I84 PolarHBondContact O-N 2.98Å; L81-I84 PolarHBondContact O-N 3.37Å; I84-N86 VanDerWaalsContact C-N 3.32Å; I84-N86 PolarHBondContact O-N 2.99Å; I84-S87 PolarHBondContact O-N 3.08Å; I84-S87 VanDerWaalsContact O-N 3.12Å; I84-L88 HydrophobicContact CG2-CD1 3.71Å; I84-L88 HydrophobicContact CG2-CD2 3.96Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CB 3.18Å; I84-L88 VanDerWaalsContact O-CD1 3.3Å; I84-L88 WeakPolarHBondContact O-CD1 3.4Å; I84-L88 PolarHBondContact O-N 2.88Å; I84-I94 HydrophobicContact CG2-CD1 3.71Å; I84-I94 HydrophobicContact CG2-CG1 4.4Å
85R91.7Very high92.2Very high128 Ų12871.1 Ų71.148%0.48337%0.367SS..Hα-helixtrans-57.6-40.6177.2-83.3179.9179154.34.6113.6L81 Q82 S87 I94L81-R85 HydrophobicContact CD2-CG 4.01Å; L81-R85 VanDerWaalsContact CD2-NH1 3.35Å; L81-R85 WeakPolarHBondContact O-CB 3.4Å; L81-R85 WeakPolarHBondContact O-CG 3.44Å; L81-R85 PolarHBondContact O-N 3.13Å; Q82-R85 PolarHBondContact O-N 3.36Å; R85-S87 VanDerWaalsContact C-N 3.27Å; R85-S87 PolarHBondContact O-N 3.27Å; R85-I94 HydrophobicContact CB-CD1 4.23Å; R85-I94 HydrophobicContact CG-CD1 3.51Å
86N92.9Very high92.3Very high120 Ų12070 Ų7064%0.64236%0.356SS*.Hα-helixtrans-72.5-22.8-179.6-67.4-12.3000112.9Q82 H83 I84Q82-N86 PolarHBondContact NE2-OD1 2.83Å; Q82-N86 WeakPolarHBondContact O-CB 3.42Å; Q82-N86 PolarHBondContact O-N 2.84Å; Q82-N86 PolarHBondContact O-ND2 3.39Å; Q82-N86 PolarHBondContact O-OD1 2.79Å; H83-N86 PolarHBondContact O-N 2.76Å; I84-N86 VanDerWaalsContact C-N 3.32Å; I84-N86 PolarHBondContact O-N 2.99Å
87S92.1Very high92.2Very high41 Ų4169.9 Ų69.929%0.28736%0.355SS..Hα-helixtrans-100.2-22.4-174.2-51.50000113.1H83 I84 R85H83-S87 WeakPolarHBondContact O-CB 3.45Å; H83-S87 PolarHBondContact O-N 3.02Å; H83-S87 PolarHBondContact O-OG 3.49Å; I84-S87 PolarHBondContact O-N 3.08Å; I84-S87 VanDerWaalsContact O-N 3.12Å; R85-S87 VanDerWaalsContact C-N 3.27Å; R85-S87 PolarHBondContact O-N 3.27Å
88L90.8Very high91.8Very high10 Ų1071.8 Ų71.85%0.05236%0.36CS..SBendtrans-87.5152.6179.4-92.565.8000111.3Y23 L25 V49 L70 I84 V92 I94Y23-L88 HydrophobicContact CD1-CD2 4.11Å; Y23-L88 HydrophobicContact CD1-CG 4.4Å; Y23-L88 HydrophobicContact CD2-CD2 4.18Å; Y23-L88 HydrophobicContact CD2-CG 4.5Å; Y23-L88 HydrophobicContact CE1-CD2 4.27Å; Y23-L88 HydrophobicContact CE2-CD2 4.31Å; Y23-L88 HydrophobicContact CG-CD2 4.08Å; Y23-L88 HydrophobicContact CG-CG 4.14Å; L25-L88 HydrophobicContact CD2-CD1 4Å; V49-L88 HydrophobicContact CG2-CD1 4.01Å; L70-L88 HydrophobicContact CD2-CD2 4.11Å; I84-L88 HydrophobicContact CG2-CD1 3.71Å; I84-L88 HydrophobicContact CG2-CD2 3.96Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CB 3.18Å; I84-L88 VanDerWaalsContact O-CD1 3.3Å; I84-L88 WeakPolarHBondContact O-CD1 3.4Å; I84-L88 PolarHBondContact O-N 2.88Å; L88-V92 HydrophobicContact CD2-CB 4.26Å; L88-V92 HydrophobicContact CD2-CG1 3.89Å; L88-I94 HydrophobicContact CD2-CD1 4.14Å; L88-I94 HydrophobicContact CD2-CG1 4.31Å
89P89.7Confident91.2Very high52 Ų5267.7 Ų67.734%0.33834%0.337SS..  trans-60.8143.5171.3-2031.8000111.9P47 A91 V92P47-P89 HydrophobicContact CG-CG 4.49Å; P89-A91 PolarHBondContact O-N 3.24Å; P89-V92 HydrophobicContact CB-CG2 4.48Å; P89-V92 PolarHBondContact O-N 3.03Å
90D86.3Confident90.4Very high173 Ų17369.3 Ų69.393%0.92534%0.336SS*.THydrogen-bonded Turntrans-57.6-20.3179.9-67.2-30.7000114.1V92D90-V92 PolarHBondContact O-N 3.35Å
91A89.8Confident89.7Confident85 Ų8572.5 Ų72.570%0.70235%0.353SS*.THydrogen-bonded Turntrans-69-21.4176.500000113.3P89P89-A91 PolarHBondContact O-N 3.24Å
92V92.4Very high89.3Confident11 Ų1174.5 Ų74.57%0.06737%0.367CS..SBendtrans-88.4115.2-175.4-173.80000110.1Y23 H68 L70 L88 P89 D90 I94Y23-V92 HydrophobicContact CD1-CG1 4.18Å; Y23-V92 HydrophobicContact CD1-CG2 3.75Å; Y23-V92 HydrophobicContact CE1-CB 4.34Å; Y23-V92 HydrophobicContact CE1-CG1 3.54Å; Y23-V92 HydrophobicContact CE1-CG2 3.83Å; H68-V92 WeakPolarHBondContact O-CA 3.38Å; L70-V92 HydrophobicContact CB-CG1 4.31Å; L88-V92 HydrophobicContact CD2-CB 4.26Å; L88-V92 HydrophobicContact CD2-CG1 3.89Å; P89-V92 HydrophobicContact CB-CG2 4.48Å; P89-V92 PolarHBondContact O-N 3.03Å; D90-V92 PolarHBondContact O-N 3.35Å; V92-I94 PolarHBondContact O-N 3.1Å
93R93.3Very high89.1Confident134 Ų13471.1 Ų71.151%0.50636%0.356SS..EExtended strand (participates in β ladder)trans-80.4117.5176.7-173177.3178.8-173.1-1.5110.6H68 G69 L70 T132H68-R93 PolarHBondContact O-N 2.84Å; G69-R93 CarbonylContact C-O 3.57Å; G69-R93 WeakPolarHBondContact CA-O 3.46Å; L70-R93 PolarHBondContact N-O 3.18Å; R93-T132 HydrophobicContact CB-CG2 4.23Å; R93-T132 HydrophobicContact CG-CG2 4.21Å; R93-T132 WeakPolarHBondContact O-CG2 3.45Å
94I93.6Very high88.9Confident17 Ų1767.4 Ų67.49%0.08734%0.339CS..EExtended strand (participates in β ladder)trans-98.1121.3176.6-59.9156.5000109.7L70 V72 L81 I84 R85 L88 V92L70-I94 HydrophobicContact CB-CG1 4.18Å; L70-I94 HydrophobicContact CD2-CG1 4.41Å; L70-I94 WeakPolarHBondContact O-CA 3.42Å; V72-I94 HydrophobicContact CG2-CG2 4.35Å; L81-I94 HydrophobicContact CD2-CG2 4.41Å; L81-I94 HydrophobicContact CG-CG2 4.27Å; I84-I94 HydrophobicContact CG2-CD1 3.71Å; I84-I94 HydrophobicContact CG2-CG1 4.4Å; R85-I94 HydrophobicContact CB-CD1 4.23Å; R85-I94 HydrophobicContact CG-CD1 3.51Å; L88-I94 HydrophobicContact CD2-CD1 4.14Å; L88-I94 HydrophobicContact CD2-CG1 4.31Å; V92-I94 PolarHBondContact O-N 3.1Å
95Q93Very high88.8Confident68 Ų6867.6 Ų67.632%0.31834%0.341SS..EExtended strand (participates in β ladder)trans-130.3136.9-177.6-175.160.740.500111.2L70 L71 V72 I128 T132L70-Q95 PolarHBondContact O-N 3.18Å; L71-Q95 WeakPolarHBondContact CA-O 3.5Å; L71-Q95 HydrophobicContact CD2-CB 3.96Å; V72-Q95 PolarHBondContact N-O 2.85Å; Q95-I128 HydrophobicContact CG-CG2 3.9Å; Q95-T132 HydrophobicContact CB-CG2 4.01Å
96R93.3Very high88.8Confident68 Ų6862.8 Ų62.826%0.25733%0.325SS..EExtended strand (participates in β ladder)trans-82.4137.2169.5-77.2-179.5179.6151.78.3109.8V72 T76 T77 D78 L81V72-R96 HydrophobicContact CG2-CG 3.83Å; V72-R96 CarbonylContact O-C 3.56Å; V72-R96 VanDerWaalsContact O-CA 3.31Å; V72-R96 WeakPolarHBondContact O-CA 3.48Å; T76-R96 PolarHBondContact O-NE 3.31Å; T76-R96 PolarHBondContact O-NH2 2.99Å; T77-R96 VanDerWaalsContact C-NH2 3.32Å; T77-R96 PolarHBondContact O-NH2 3.14Å; D78-R96 IonicContact OD1-CZ 3.75Å; D78-R96 VanDerWaalsContact OD1-CZ 3.22Å; D78-R96 IonicContact OD1-NH1 2.79Å; D78-R96 PolarHBondContact OD1-NH1 2.91Å; D78-R96 IonicContact OD1-NH2 3.15Å; D78-R96 PolarHBondContact OD1-NH2 3.06Å; L81-R96 HydrophobicContact CD1-CG 3.74Å
97V90.4Very high88.8Confident2 Ų257.1 Ų57.11%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-126.2133.7177.4179.70000109L71 V72 N74 L104 T125 I128L71-V97 HydrophobicContact CB-CG2 4.31Å; L71-V97 HydrophobicContact CD1-CG2 4.39Å; L71-V97 HydrophobicContact CD2-CG2 3.78Å; L71-V97 HydrophobicContact CG-CG2 4.38Å; V72-V97 PolarHBondContact O-N 3.34Å; N74-V97 PolarHBondContact N-O 3.16Å; V97-L104 HydrophobicContact CB-CD1 4.29Å; V97-L104 HydrophobicContact CB-CD2 4.39Å; V97-L104 HydrophobicContact CG1-CD2 4.13Å; V97-T125 HydrophobicContact CG1-CG2 3.62Å; V97-I128 HydrophobicContact CG2-CG2 3.84Å
98E85.6Confident88.9Confident106 Ų10655.2 Ų55.250%0.49528%0.281SS..  trans-91.4113168-174178.7157.600108N74 R100N74-E98 HydrophobicContact CB-CB 4.34Å; E98-R100 IonicContact OE1-CZ 3.97Å; E98-R100 IonicContact OE1-NE 3.65Å; E98-R100 PolarHBondContact OE1-NE 3.3Å; E98-R100 VanDerWaalsContact OE1-NE 3.13Å; E98-R100 IonicContact OE1-NH2 3.53Å; E98-R100 PolarHBondContact OE1-NH2 3.26Å
99E80.5Confident89.1Confident31 Ų3155.1 Ų55.115%0.14528%0.281CS..  trans-129.8135.1175.5-175.444.7-119.900108.8L101 L104 L121 T125E99-L101 WeakPolarHBondContact OE1-CB 3.43Å; E99-L101 VanDerWaalsContact OE1-CG 3.29Å; E99-L101 WeakPolarHBondContact OE1-CG 3.27Å; E99-L101 PolarHBondContact OE1-N 3.22Å; E99-L104 HydrophobicContact CB-CD2 3.81Å; E99-L104 HydrophobicContact CG-CD2 4.25Å; E99-L121 HydrophobicContact CG-CD1 4.26Å; E99-L121 WeakPolarHBondContact OE2-CD1 3.47Å; E99-T125 PolarHBondContact OE2-OG1 2.99Å; E99-T125 VanDerWaalsContact OE2-OG1 3.06Å
100R77.8Confident89.3Confident204 Ų20453.5 Ų53.577%0.7727%0.271SS*.SBendtrans-108.5-17-170.6-65.7-177.8-178.8173.44.2113.3E98E98-R100 IonicContact OE1-CZ 3.97Å; E98-R100 IonicContact OE1-NE 3.65Å; E98-R100 PolarHBondContact OE1-NE 3.3Å; E98-R100 VanDerWaalsContact OE1-NE 3.13Å; E98-R100 IonicContact OE1-NH2 3.53Å; E98-R100 PolarHBondContact OE1-NH2 3.26Å
101L77.9Confident89.7Confident85 Ų8545.6 Ų45.645%0.44523%0.229SC..SBendtrans-71.6-54.8-177.6-67.5170.4000112.2E99 D120E99-L101 WeakPolarHBondContact OE1-CB 3.43Å; E99-L101 VanDerWaalsContact OE1-CG 3.29Å; E99-L101 WeakPolarHBondContact OE1-CG 3.27Å; E99-L101 PolarHBondContact OE1-N 3.22Å; L101-D120 HydrophobicContact CD1-CB 4.47Å
102S85.4Confident89.8Confident49 Ų4942 Ų4234%0.34320%0.198SC..SBendtrans-162.3-173.7179.7-160.50000110.6
103A88.1Confident89.9Confident25 Ų2548.2 Ų48.221%0.20722%0.221CC..  trans-65.9141.7173.700000111.1R61 M62 G105 N106 V107R61-A103 VanDerWaalsContact O-CB 3.26Å; R61-A103 WeakPolarHBondContact O-CB 3.45Å; M62-A103 HydrophobicContact SD-CB 3.94Å; A103-G105 VanDerWaalsContact C-N 3.28Å; A103-G105 PolarHBondContact O-N 3.43Å; A103-N106 WeakPolarHBondContact O-CB 3.45Å; A103-N106 PolarHBondContact O-N 3.47Å; A103-V107 PolarHBondContact O-N 3.13Å
104L89.8Confident89.9Confident6 Ų642.4 Ų42.43%0.03120%0.201CC..Hα-helixtrans-56.1-39.8-173.9-66.7171.3000113V64 L71 P73 V97 E99 N106 V107 V108V64-L104 HydrophobicContact CG1-CB 4.2Å; L71-L104 HydrophobicContact CB-CD1 4.21Å; P73-L104 HydrophobicContact CB-CD1 4.47Å; V97-L104 HydrophobicContact CB-CD1 4.29Å; V97-L104 HydrophobicContact CB-CD2 4.39Å; V97-L104 HydrophobicContact CG1-CD2 4.13Å; E99-L104 HydrophobicContact CB-CD2 3.81Å; E99-L104 HydrophobicContact CG-CD2 4.25Å; L104-N106 PolarHBondContact O-N 3.04Å; L104-V107 PolarHBondContact O-N 3.02Å; L104-V108 WeakPolarHBondContact O-CB 2.89Å; L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 3.37Å
105G89.9Confident90Very high4 Ų441.6 Ų41.64%0.04120%0.196CC..Hα-helixtrans-72.4-11.2178.700000114.6R61 A103 G149R61-G105 WeakPolarHBondContact O-CA 3.18Å; R61-G105 PolarHBondContact O-N 3.03Å; A103-G105 VanDerWaalsContact C-N 3.28Å; A103-G105 PolarHBondContact O-N 3.43Å; G105-G149 CarbonylContact O-C 3.58Å; G105-G149 WeakPolarHBondContact O-CA 3.19Å
106N92.8Very high90.1Very high28 Ų2838.4 Ų38.415%0.1518%0.182CC..Hα-helixtrans-92-31.7173.3-65.5-16.2000112.1R61 A103 L104 L147 G149 S150R61-N106 WeakPolarHBondContact CD-OD1 3.12Å; R61-N106 PolarHBondContact NH1-OD1 2.81Å; A103-N106 WeakPolarHBondContact O-CB 3.45Å; A103-N106 PolarHBondContact O-N 3.47Å; L104-N106 PolarHBondContact O-N 3.04Å; N106-L147 HydrophobicContact CB-CD2 4.39Å; N106-L147 CarbonylContact O-C 3.53Å; N106-L147 VanDerWaalsContact O-C 3.29Å; N106-L147 WeakPolarHBondContact O-CA 3.39Å; N106-G149 VanDerWaalsContact O-CA 3.3Å; N106-G149 WeakPolarHBondContact O-CA 3.26Å; N106-G149 PolarHBondContact O-N 3.16Å; N106-S150 PolarHBondContact OD1-OG 2.81Å
107V92.6Very high90.2Very high0 Ų035.2 Ų35.20%017%0.169CC..Hα-helixtrans-92.6-17.1-176.2-560000112.9A103 L104 V117 H118 L121 L147 V148A103-V107 PolarHBondContact O-N 3.13Å; L104-V107 PolarHBondContact O-N 3.02Å; V107-V117 CarbonylContact O-C 3.5Å; V107-V117 WeakPolarHBondContact O-CA 3.43Å; V107-H118 HydrophobicContact CB-CB 4.01Å; V107-H118 HydrophobicContact CG1-CB 4.43Å; V107-H118 PolarHBondContact O-N 3.32Å; V107-L121 HydrophobicContact CG2-CD1 4.49Å; V107-L147 HydrophobicContact CG1-CD2 4.18Å; V107-V148 VanDerWaalsContact O-CG2 3.28Å; V107-V148 WeakPolarHBondContact O-CG2 3.45Å
108V94.1Very high90.3Very high2 Ų235.8 Ų35.81%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-123.7129.6-179.1-172.40000110.8V64 L104 C110 A115 L116 V117 L129V64-V108 HydrophobicContact CB-CB 4.26Å; V64-V108 HydrophobicContact CB-CG1 4.43Å; V64-V108 HydrophobicContact CG1-CB 4.12Å; V64-V108 HydrophobicContact CG1-CG1 4.25Å; V64-V108 HydrophobicContact CG1-CG2 4.3Å; V64-V108 HydrophobicContact CG2-CB 3.93Å; V64-V108 HydrophobicContact CG2-CG1 3.68Å; L104-V108 WeakPolarHBondContact O-CB 2.89Å; L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 3.37Å; V108-C110 HydrophobicContact CG1-CB 4.42Å; V108-A115 HydrophobicContact CG1-CB 4.46Å; V108-L116 WeakPolarHBondContact CA-O 3.35Å; V108-V117 HydrophobicContact CG1-CG1 4.2Å; V108-V117 HydrophobicContact CG2-CG1 4.16Å; V108-L129 HydrophobicContact CB-CD1 4.29Å; V108-L129 HydrophobicContact CG1-CD1 3.71Å; V108-L129 HydrophobicContact CG2-CD1 3.58Å
109A94Very high90.6Very high7 Ų732.6 Ų32.66%0.05816%0.161CC..EExtended strand (participates in β ladder)trans-117.6131.8161.900000108.5A115 L116 F154A109-A115 CarbonylContact O-C 3.59Å; A109-A115 WeakPolarHBondContact O-CA 3.19Å; A109-L116 PolarHBondContact N-O 3.18Å; A109-L116 PolarHBondContact O-N 3.4Å; A109-F154 HydrophobicContact CB-CD1 4.08Å; A109-F154 HydrophobicContact CB-CE1 3.39Å; A109-F154 HydrophobicContact CB-CZ 4.24Å; A109-F154 VanDerWaalsContact O-CZ 3.28Å; A109-F154 WeakPolarHBondContact O-CZ 3.32Å
110C94.3Very high91.1Very high18 Ų1836.5 Ų36.512%0.12218%0.182CC..EExtended strand (participates in β ladder)trans-144150.7-174.865.30000112.6V64 V108 V114 A115 L133V64-C110 WeakPolarHBondContact CG2-SG 3.3Å; V108-C110 HydrophobicContact CG1-CB 4.42Å; C110-V114 WeakPolarHBondContact CA-O 3.38Å; C110-A115 HydrophobicContact CB-CB 3.79Å; C110-L133 HydrophobicContact CB-CD1 4.38Å
111N94Very high91.7Very high8 Ų826.9 Ų26.94%0.04315%0.146CC..  trans-114.5-159.8161.369.511000109.5N66 Y113 V114 F154 S155 N156N66-N111 WeakPolarHBondContact CB-O 3.47Å; N66-N111 PolarHBondContact ND2-O 2.96Å; N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 2.82Å; N111-Y113 PolarHBondContact OD1-N 3.46Å; N111-V114 PolarHBondContact N-O 3.29Å; N111-V114 PolarHBondContact OD1-N 3.17Å; N111-V114 PolarHBondContact OD1-O 2.91Å; N111-F154 HydrophobicContact CB-CD2 3.68Å; N111-F154 HydrophobicContact CB-CE2 3.63Å; N111-F154 VanDerWaalsContact N-CE2 3.29Å; N111-S155 PolarHBondContact ND2-O 3.19Å; N111-N156 WeakPolarHBondContact CB-OD1 3.33Å
112D93.7Very high92.3Very high8 Ų827.4 Ų27.44%0.04315%0.15CC..SBendtrans-80-8.6-178.3-66.2-32.2000114.1N21 R67 N156N21-D112 PolarHBondContact ND2-OD2 2.93Å; R67-D112 WeakPolarHBondContact CB-OD1 3.32Å; R67-D112 WeakPolarHBondContact CD-OD2 3.36Å; R67-D112 HydrophobicContact CG-CB 4.28Å; R67-D112 VanDerWaalsContact CG-OD1 3.29Å; R67-D112 WeakPolarHBondContact CG-OD1 3.48Å; R67-D112 PolarHBondContact N-OD1 3.31Å; D112-N156 PolarHBondContact N-OD1 3.31Å; D112-N156 VanDerWaalsContact N-OD1 3.1Å; D112-N156 PolarHBondContact OD2-ND2 3.22Å
113Y93.1Very high92.6Very high142 Ų14233.7 Ų33.756%0.55717%0.166SC*.SBendtrans-122-36.2-173.2-56.5-76.6000113.4N111 V135 E136 N156N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 2.82Å; N111-Y113 PolarHBondContact OD1-N 3.46Å; Y113-V135 VanDerWaalsContact O-CA 3.32Å; Y113-V135 WeakPolarHBondContact O-CA 3.46Å; Y113-V135 WeakPolarHBondContact O-CB 3.42Å; Y113-E136 PolarHBondContact O-N 3.11Å; Y113-N156 WeakPolarHBondContact CD2-OD1 3.45Å; Y113-N156 HydrophobicContact CE2-CB 4.14Å
114V94.8Very high92.7Very high13 Ų1339.5 Ų39.58%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-136.6143.4-170.3-175.10000110.5C110 N111 E136 F138 L176 L177C110-V114 WeakPolarHBondContact CA-O 3.38Å; N111-V114 PolarHBondContact N-O 3.29Å; N111-V114 PolarHBondContact OD1-N 3.17Å; N111-V114 PolarHBondContact OD1-O 2.91Å; V114-E136 CarbonylContact C-O 3.55Å; V114-E136 WeakPolarHBondContact CA-O 3.49Å; V114-F138 HydrophobicContact CG1-CD2 3.41Å; V114-F138 VanDerWaalsContact CG1-CD2 3.41Å; V114-F138 HydrophobicContact CG1-CE2 3.56Å; V114-F138 HydrophobicContact CG2-CE2 4.43Å; V114-L176 HydrophobicContact CG1-CD2 4.22Å; V114-L177 HydrophobicContact CB-CD2 4Å; V114-L177 HydrophobicContact CG1-CD2 3.52Å
115A95.2Very high92.7Very high0 Ų039.6 Ų39.60%019%0.189CC..EExtended strand (participates in β ladder)trans-125.1135.117000000111.4V108 A109 C110 L129 V135 E136 V137 F138V108-A115 HydrophobicContact CG1-CB 4.46Å; A109-A115 CarbonylContact O-C 3.59Å; A109-A115 WeakPolarHBondContact O-CA 3.19Å; C110-A115 HydrophobicContact CB-CB 3.79Å; A115-L129 HydrophobicContact CB-CD2 3.75Å; A115-V135 HydrophobicContact CB-CG2 3.64Å; A115-E136 PolarHBondContact N-O 3.04Å; A115-V137 HydrophobicContact CB-CG2 4.48Å; A115-V137 WeakPolarHBondContact O-CA 3.41Å; A115-F138 PolarHBondContact O-N 3.01Å
116L94.3Very high92.8Very high1 Ų141.4 Ų41.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-95.1132.3166-59.5-177000108.9V108 A109 F138 Q140 V148 F154 L173 L176 L177V108-L116 WeakPolarHBondContact CA-O 3.35Å; A109-L116 PolarHBondContact N-O 3.18Å; A109-L116 PolarHBondContact O-N 3.4Å; L116-F138 WeakPolarHBondContact CA-O 3.31Å; L116-F138 HydrophobicContact CD2-CB 4.14Å; L116-Q140 HydrophobicContact CD2-CB 4.35Å; L116-V148 HydrophobicContact CB-CB 4.36Å; L116-V148 HydrophobicContact CB-CG2 4.14Å; L116-V148 WeakPolarHBondContact O-CG2 3.41Å; L116-F154 HydrophobicContact CD1-CE1 4.11Å; L116-F154 HydrophobicContact CG-CE1 4.16Å; L116-F154 HydrophobicContact CG-CZ 4.24Å; L116-L173 HydrophobicContact CD1-CD2 4.04Å; L116-L176 HydrophobicContact CD2-CD2 3.7Å; L116-L177 HydrophobicContact CD1-CD1 4.18Å; L116-L177 HydrophobicContact CD1-CD2 4.29Å; L116-L177 HydrophobicContact CD2-CD2 3.94Å; L116-L177 HydrophobicContact CG-CD2 3.97Å
117V95.1Very high92.8Very high0 Ų045 Ų450%021%0.212CC..EExtended strand (participates in β ladder)trans-128.4158.8179.6-62.50000112.1V107 V108 L121 L129 V137 F138 R139 Q140V107-V117 CarbonylContact O-C 3.5Å; V107-V117 WeakPolarHBondContact O-CA 3.43Å; V108-V117 HydrophobicContact CG1-CG1 4.2Å; V108-V117 HydrophobicContact CG2-CG1 4.16Å; V117-L121 HydrophobicContact CB-CD2 3.83Å; V117-L121 HydrophobicContact CG1-CD2 3.94Å; V117-L121 HydrophobicContact CG2-CD2 4.14Å; V117-L129 HydrophobicContact CG1-CD1 4.08Å; V117-V137 HydrophobicContact CB-CG1 4.12Å; V117-V137 HydrophobicContact CG1-CG1 3.51Å; V117-V137 HydrophobicContact CG2-CG1 3.46Å; V117-V137 VanDerWaalsContact CG2-CG1 3.46Å; V117-F138 PolarHBondContact N-O 3.02Å; V117-R139 HydrophobicContact CG2-CG 3.79Å; V117-Q140 PolarHBondContact O-N 3.18Å
118H94Very high92.8Very high15 Ų1547.2 Ų47.27%0.06922%0.224CC..  trans-53.4135.2170.9-171.1-72000111.4V107 D120 L121 V146V107-H118 HydrophobicContact CB-CB 4.01Å; V107-H118 HydrophobicContact CG1-CB 4.43Å; V107-H118 PolarHBondContact O-N 3.32Å; H118-D120 VanDerWaalsContact C-N 3.31Å; H118-D120 IonicContact CE1-OD2 2.8Å; H118-D120 PolarHBondContact CE1-OD2 2.68Å; H118-D120 PolarHBondContact ND1-N 3.16Å; H118-D120 PolarHBondContact O-N 3.44Å; H118-L121 VanDerWaalsContact O-CB 3.25Å; H118-L121 WeakPolarHBondContact O-CB 3.4Å; H118-L121 PolarHBondContact O-N 3.42Å; H118-L121 VanDerWaalsContact O-N 3.07Å; H118-V146 PolarHBondContact CD2-O 2.99Å; H118-V146 VanDerWaalsContact CD2-O 3.28Å; H118-V146 VanDerWaalsContact NE2-CB 3.3Å; H118-V146 WeakPolarHBondContact NE2-CB 3.12Å; H118-V146 VanDerWaalsContact NE2-CG2 3.26Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.41Å
119P91.4Very high92.8Very high39 Ų3947.1 Ų47.125%0.25322%0.224SC..THydrogen-bonded Turntrans-57.4-38.9-177.4-27.634.7000114.8L121 R139 T141P119-L121 VanDerWaalsContact C-N 3.27Å; P119-L121 PolarHBondContact O-N 2.95Å; P119-R139 PolarHBondContact O-NH1 2.79Å; P119-T141 HydrophobicContact CG-CG2 3.6Å
120D91.7Very high92.8Very high112 Ų11248.2 Ų48.260%0.59923%0.232SC*.THydrogen-bonded Turntrans-85.313.9179.3-54.8-40.1000114.3L101 H118 D122L101-D120 HydrophobicContact CD1-CB 4.47Å; H118-D120 VanDerWaalsContact C-N 3.31Å; H118-D120 IonicContact CE1-OD2 2.8Å; H118-D120 PolarHBondContact CE1-OD2 2.68Å; H118-D120 PolarHBondContact ND1-N 3.16Å; H118-D120 PolarHBondContact O-N 3.44Å; D120-D122 PolarHBondContact O-N 3.04Å
121L90.1Very high92.8Very high3 Ų352.7 Ų52.72%0.01626%0.255CS..  trans-62.2137.7178.3-167.273.9000111E99 V107 V117 H118 P119 T125 E126 R139E99-L121 HydrophobicContact CG-CD1 4.26Å; E99-L121 WeakPolarHBondContact OE2-CD1 3.47Å; V107-L121 HydrophobicContact CG2-CD1 4.49Å; V117-L121 HydrophobicContact CB-CD2 3.83Å; V117-L121 HydrophobicContact CG1-CD2 3.94Å; V117-L121 HydrophobicContact CG2-CD2 4.14Å; H118-L121 VanDerWaalsContact O-CB 3.25Å; H118-L121 WeakPolarHBondContact O-CB 3.4Å; H118-L121 PolarHBondContact O-N 3.42Å; H118-L121 VanDerWaalsContact O-N 3.07Å; P119-L121 VanDerWaalsContact C-N 3.27Å; P119-L121 PolarHBondContact O-N 2.95Å; L121-T125 HydrophobicContact CD1-CG2 3.91Å; L121-T125 HydrophobicContact CD2-CG2 4.06Å; L121-T125 HydrophobicContact CG-CG2 4.12Å; L121-E126 HydrophobicContact CD2-CB 4.36Å; L121-R139 VanDerWaalsContact O-CZ 3.31Å; L121-R139 PolarHBondContact O-NH1 3Å; L121-R139 PolarHBondContact O-NH2 3.06Å
122D91.1Very high92.8Very high96 Ų9652.5 Ų52.551%0.51325%0.254SS..  trans-61.3138.5176.3-76.5-27.7000110.7D120 E124 T125 E126D120-D122 PolarHBondContact O-N 3.04Å; D122-E124 PolarHBondContact O-N 3.5Å; D122-T125 WeakPolarHBondContact O-CB 3.3Å; D122-T125 PolarHBondContact O-N 2.99Å; D122-T125 VanDerWaalsContact O-N 3.11Å; D122-E126 PolarHBondContact O-N 3.18Å
123R89.9Confident92.8Very high180 Ų18052.1 Ų52.168%0.67925%0.252SS*.Hα-helixtrans-62.4-33.8-177.6-175.4177.3172.2155.45.7112.5E126 E127R123-E126 PolarHBondContact O-N 3.49Å; R123-E127 IonicContact CZ-OE1 3.39Å; R123-E127 IonicContact NE-OE1 3.41Å; R123-E127 PolarHBondContact NE-OE1 3.39Å; R123-E127 IonicContact NH2-OE1 3.88Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 3.41Å
124E90.9Very high92.9Very high147 Ų14752.4 Ų52.469%0.68726%0.256SS*.Hα-helixtrans-63.1-44.4174.8-174.8175.4-177.800111.1D122 E126 E127 I128D122-E124 PolarHBondContact O-N 3.5Å; E124-E126 VanDerWaalsContact C-N 3.34Å; E124-E126 PolarHBondContact O-N 3.35Å; E124-E127 PolarHBondContact O-N 2.94Å; E124-I128 HydrophobicContact CG-CD1 4.14Å; E124-I128 WeakPolarHBondContact O-CD1 3.12Å; E124-I128 VanDerWaalsContact O-CG1 3.27Å; E124-I128 WeakPolarHBondContact O-CG1 3.16Å; E124-I128 PolarHBondContact O-N 3.42Å
125T90.3Very high92.9Very high8 Ų852.3 Ų52.35%0.04926%0.256CS..Hα-helixtrans-62.8-41.5175.4-56.60000111.7V97 E99 L121 D122 I128 L129V97-T125 HydrophobicContact CG1-CG2 3.62Å; E99-T125 PolarHBondContact OE2-OG1 2.99Å; E99-T125 VanDerWaalsContact OE2-OG1 3.06Å; L121-T125 HydrophobicContact CD1-CG2 3.91Å; L121-T125 HydrophobicContact CD2-CG2 4.06Å; L121-T125 HydrophobicContact CG-CG2 4.12Å; D122-T125 WeakPolarHBondContact O-CB 3.3Å; D122-T125 PolarHBondContact O-N 2.99Å; D122-T125 VanDerWaalsContact O-N 3.11Å; T125-I128 PolarHBondContact O-N 3.3Å; T125-L129 VanDerWaalsContact O-CB 3.3Å; T125-L129 WeakPolarHBondContact O-CB 3.26Å; T125-L129 PolarHBondContact O-N 3.43Å
126E92Very high92.8Very high43 Ų4358.4 Ų58.420%0.20128%0.284CS..Hα-helixtrans-60.7-45.8176.1-179.5175.6175.300112.3L121 D122 R123 E124 L129 A130 V137 R139L121-E126 HydrophobicContact CD2-CB 4.36Å; D122-E126 PolarHBondContact O-N 3.18Å; R123-E126 PolarHBondContact O-N 3.49Å; E124-E126 VanDerWaalsContact C-N 3.34Å; E124-E126 PolarHBondContact O-N 3.35Å; E126-L129 WeakPolarHBondContact O-CB 3.31Å; E126-L129 PolarHBondContact O-N 2.89Å; E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.44Å; E126-V137 HydrophobicContact CG-CB 4.04Å; E126-V137 HydrophobicContact CG-CG1 3.82Å; E126-V137 HydrophobicContact CG-CG2 4.47Å; E126-R139 IonicContact OE2-CZ 2.81Å; E126-R139 IonicContact OE2-NE 3.13Å; E126-R139 PolarHBondContact OE2-NE 2.97Å; E126-R139 IonicContact OE2-NH2 3.22Å; E126-R139 PolarHBondContact OE2-NH2 2.97Å
127E92.9Very high92.8Very high102 Ų10259.4 Ų59.448%0.47729%0.29SS..Hα-helixtrans-63.8-43.4178-73173.5-168.600111.2R123 E124 L129 A130 D131R123-E127 IonicContact CZ-OE1 3.39Å; R123-E127 IonicContact NE-OE1 3.41Å; R123-E127 PolarHBondContact NE-OE1 3.39Å; R123-E127 IonicContact NH2-OE1 3.88Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 3.41Å; E124-E127 PolarHBondContact O-N 2.94Å; E127-L129 VanDerWaalsContact C-N 3.27Å; E127-L129 PolarHBondContact O-N 3.06Å; E127-A130 PolarHBondContact O-N 3.47Å; E127-D131 WeakPolarHBondContact O-CB 3.28Å; E127-D131 PolarHBondContact O-N 3.28Å
128I93.1Very high92.8Very high47 Ų4762.6 Ų62.624%0.24130%0.304CS..Hα-helixtrans-61.2-38.9175.6-66.8164.3000111.3L71 Q95 V97 E124 T125 T132L71-I128 HydrophobicContact CD2-CG2 4.48Å; Q95-I128 HydrophobicContact CG-CG2 3.9Å; V97-I128 HydrophobicContact CG2-CG2 3.84Å; E124-I128 HydrophobicContact CG-CD1 4.14Å; E124-I128 WeakPolarHBondContact O-CD1 3.12Å; E124-I128 VanDerWaalsContact O-CG1 3.27Å; E124-I128 WeakPolarHBondContact O-CG1 3.16Å; E124-I128 PolarHBondContact O-N 3.42Å; T125-I128 PolarHBondContact O-N 3.3Å; I128-T132 VanDerWaalsContact O-CB 3.23Å; I128-T132 WeakPolarHBondContact O-CB 3.36Å; I128-T132 PolarHBondContact O-N 3.04Å; I128-T132 PolarHBondContact O-OG1 3.11Å
129L93.4Very high92.8Very high1 Ų166.9 Ų66.91%0.00532%0.32CS..Hα-helixtrans-68-48.4-179.9-171.1151.5000111.4L71 V108 A115 V117 T125 E126 E127 D131 T132 L133 V135 V137L71-L129 HydrophobicContact CD1-CB 4.01Å; L71-L129 HydrophobicContact CD1-CD1 3.96Å; L71-L129 HydrophobicContact CD1-CG 3.76Å; V108-L129 HydrophobicContact CB-CD1 4.29Å; V108-L129 HydrophobicContact CG1-CD1 3.71Å; V108-L129 HydrophobicContact CG2-CD1 3.58Å; A115-L129 HydrophobicContact CB-CD2 3.75Å; V117-L129 HydrophobicContact CG1-CD1 4.08Å; T125-L129 VanDerWaalsContact O-CB 3.3Å; T125-L129 WeakPolarHBondContact O-CB 3.26Å; T125-L129 PolarHBondContact O-N 3.43Å; E126-L129 WeakPolarHBondContact O-CB 3.31Å; E126-L129 PolarHBondContact O-N 2.89Å; E127-L129 VanDerWaalsContact C-N 3.27Å; E127-L129 PolarHBondContact O-N 3.06Å; L129-D131 VanDerWaalsContact C-N 3.32Å; L129-D131 PolarHBondContact O-N 3.44Å; L129-T132 PolarHBondContact O-N 2.7Å; L129-L133 HydrophobicContact CD2-CD1 3.89Å; L129-L133 HydrophobicContact CG-CD1 3.87Å; L129-L133 HydrophobicContact CG-CG 4.48Å; L129-L133 VanDerWaalsContact O-CB 3.32Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 PolarHBondContact O-N 3.09Å; L129-V135 HydrophobicContact CD2-CG2 4.07Å; L129-V137 HydrophobicContact CD2-CG1 4.46Å; L129-V137 HydrophobicContact CD2-CG2 3.49Å; L129-V137 VanDerWaalsContact CD2-CG2 3.49Å
130A94.6Very high92.8Very high29 Ų2967 Ų6724%0.2432%0.317CS..Hα-helixtrans-57.5-45.4175.900000111.3E126 E127 K134 V135 V137E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.44Å; E127-A130 PolarHBondContact O-N 3.47Å; A130-K134 WeakPolarHBondContact O-CA 3.29Å; A130-K134 PolarHBondContact O-N 3.35Å; A130-V135 PolarHBondContact O-N 3.23Å; A130-V137 HydrophobicContact CB-CG2 3.86Å
131D94.2Very high92.8Very high113 Ų11364 Ų6460%0.60430%0.303SS*.Hα-helixtrans-70.4-37.1-178.4-81-6.2000113.6E127 L129E127-D131 WeakPolarHBondContact O-CB 3.28Å; E127-D131 PolarHBondContact O-N 3.28Å; L129-D131 VanDerWaalsContact C-N 3.32Å; L129-D131 PolarHBondContact O-N 3.44Å
132T93.9Very high92.8Very high3 Ų364 Ų642%0.01830%0.303CS..Hα-helixtrans-80.5-44-176.1-56.20000111.5L71 R93 Q95 I128 L129L71-T132 HydrophobicContact CD2-CG2 3.65Å; R93-T132 HydrophobicContact CB-CG2 4.23Å; R93-T132 HydrophobicContact CG-CG2 4.21Å; R93-T132 WeakPolarHBondContact O-CG2 3.45Å; Q95-T132 HydrophobicContact CB-CG2 4.01Å; I128-T132 VanDerWaalsContact O-CB 3.23Å; I128-T132 WeakPolarHBondContact O-CB 3.36Å; I128-T132 PolarHBondContact O-N 3.04Å; I128-T132 PolarHBondContact O-OG1 3.11Å; L129-T132 PolarHBondContact O-N 2.7Å
133L93.9Very high92.6Very high0 Ų060.2 Ų60.20%029%0.285CS..Hα-helixtrans-86.7-16.8-178.6-58.4-174.7000112.2N66 H68 G69 L71 C110 L129 V135N66-L133 PolarHBondContact ND2-O 3.26Å; H68-L133 WeakPolarHBondContact CB-O 3.48Å; G69-L133 WeakPolarHBondContact O-CD2 3.5Å; L71-L133 HydrophobicContact CD1-CD1 4.31Å; L71-L133 HydrophobicContact CD1-CG 4.4Å; L71-L133 HydrophobicContact CG-CD2 4.43Å; C110-L133 HydrophobicContact CB-CD1 4.38Å; L129-L133 HydrophobicContact CD2-CD1 3.89Å; L129-L133 HydrophobicContact CG-CD1 3.87Å; L129-L133 HydrophobicContact CG-CG 4.48Å; L129-L133 VanDerWaalsContact O-CB 3.32Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 PolarHBondContact O-N 3.09Å; L133-V135 VanDerWaalsContact C-N 3.34Å; L133-V135 HydrophobicContact CB-CG1 4.17Å; L133-V135 HydrophobicContact CB-CG2 3.76Å
134K94.1Very high92.4Very high149 Ų14960.3 Ų60.365%0.64829%0.293SS*.THydrogen-bonded Turntrans57.845.2-175.9-55.7-178.1178.3179.30112.6H68 A130H68-K134 HydrophobicContact CB-CD 4.42Å; H68-K134 HydrophobicContact CB-CG 4.49Å; A130-K134 WeakPolarHBondContact O-CA 3.29Å; A130-K134 PolarHBondContact O-N 3.35Å
135V94.6Very high92.4Very high10 Ų1057 Ų576%0.06128%0.278CS..  trans-126.1154.1-177.2-61.70000110.8N66 Y113 A115 L129 A130 L133 V137N66-V135 VanDerWaalsContact ND2-CG1 3.34Å; N66-V135 WeakPolarHBondContact ND2-CG1 3.1Å; Y113-V135 VanDerWaalsContact O-CA 3.32Å; Y113-V135 WeakPolarHBondContact O-CA 3.46Å; Y113-V135 WeakPolarHBondContact O-CB 3.42Å; A115-V135 HydrophobicContact CB-CG2 3.64Å; L129-V135 HydrophobicContact CD2-CG2 4.07Å; A130-V135 PolarHBondContact O-N 3.23Å; L133-V135 VanDerWaalsContact C-N 3.34Å; L133-V135 HydrophobicContact CB-CG1 4.17Å; L133-V135 HydrophobicContact CB-CG2 3.76Å; V135-V137 HydrophobicContact CG2-CG2 4.43Å
136E93.8Very high92.4Very high129 Ų12959.3 Ų59.360%0.60329%0.292SS*.EExtended strand (participates in β ladder)trans-75.8132168.3-65-174.7178.100109.5Y113 V114 A115 F138Y113-E136 PolarHBondContact O-N 3.11Å; V114-E136 CarbonylContact C-O 3.55Å; V114-E136 WeakPolarHBondContact CA-O 3.49Å; A115-E136 PolarHBondContact N-O 3.04Å; E136-F138 HydrophobicContact CB-CE2 3.78Å; E136-F138 HydrophobicContact CB-CZ 4.12Å
137V94.7Very high92.4Very high22 Ų2259.6 Ų59.613%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-105127.9-175.8-173.20000109.6A115 V117 E126 L129 A130 V135A115-V137 HydrophobicContact CB-CG2 4.48Å; A115-V137 WeakPolarHBondContact O-CA 3.41Å; V117-V137 HydrophobicContact CB-CG1 4.12Å; V117-V137 HydrophobicContact CG1-CG1 3.51Å; V117-V137 HydrophobicContact CG2-CG1 3.46Å; V117-V137 VanDerWaalsContact CG2-CG1 3.46Å; E126-V137 HydrophobicContact CG-CB 4.04Å; E126-V137 HydrophobicContact CG-CG1 3.82Å; E126-V137 HydrophobicContact CG-CG2 4.47Å; L129-V137 HydrophobicContact CD2-CG1 4.46Å; L129-V137 HydrophobicContact CD2-CG2 3.49Å; L129-V137 VanDerWaalsContact CD2-CG2 3.49Å; A130-V137 HydrophobicContact CB-CG2 3.86Å; V135-V137 HydrophobicContact CG2-CG2 4.43Å
138F94.3Very high92.4Very high66 Ų6654.7 Ų54.729%0.28927%0.272SS..EExtended strand (participates in β ladder)trans-123131.3176.5-60.1-82.7000110.8V114 A115 L116 V117 E136 L176V114-F138 HydrophobicContact CG1-CD2 3.41Å; V114-F138 VanDerWaalsContact CG1-CD2 3.41Å; V114-F138 HydrophobicContact CG1-CE2 3.56Å; V114-F138 HydrophobicContact CG2-CE2 4.43Å; A115-F138 PolarHBondContact O-N 3.01Å; L116-F138 WeakPolarHBondContact CA-O 3.31Å; L116-F138 HydrophobicContact CD2-CB 4.14Å; V117-F138 PolarHBondContact N-O 3.02Å; E136-F138 HydrophobicContact CB-CE2 3.78Å; E136-F138 HydrophobicContact CB-CZ 4.12Å; F138-L176 HydrophobicContact CB-CD1 4Å; F138-L176 HydrophobicContact CB-CD2 3.98Å; F138-L176 HydrophobicContact CB-CG 4.47Å; F138-L176 HydrophobicContact CD1-CD1 3.93Å; F138-L176 HydrophobicContact CD1-CD2 4.46Å; F138-L176 HydrophobicContact CD1-CG 4.25Å; F138-L176 HydrophobicContact CD2-CD1 4.44Å; F138-L176 HydrophobicContact CD2-CD2 3.51Å; F138-L176 HydrophobicContact CD2-CG 4.08Å; F138-L176 HydrophobicContact CE2-CD2 4.06Å; F138-L176 HydrophobicContact CE2-CG 4.37Å; F138-L176 HydrophobicContact CG-CD1 3.87Å; F138-L176 HydrophobicContact CG-CD2 3.73Å; F138-L176 HydrophobicContact CG-CG 4.01Å
139R93.7Very high92.3Very high106 Ų10652.7 Ų52.740%0.426%0.263SS..EExtended strand (participates in β ladder)trans-84.2112.9173.9-69.8171.5-176.6-126.80108.5V117 P119 L121 E126V117-R139 HydrophobicContact CG2-CG 3.79Å; P119-R139 PolarHBondContact O-NH1 2.79Å; L121-R139 VanDerWaalsContact O-CZ 3.31Å; L121-R139 PolarHBondContact O-NH1 3Å; L121-R139 PolarHBondContact O-NH2 3.06Å; E126-R139 IonicContact OE2-CZ 2.81Å; E126-R139 IonicContact OE2-NE 3.13Å; E126-R139 PolarHBondContact OE2-NE 2.97Å; E126-R139 IonicContact OE2-NH2 3.22Å; E126-R139 PolarHBondContact OE2-NH2 2.97Å
140Q92.3Very high92.3Very high40 Ų4053.1 Ų53.119%0.18727%0.266CS..  trans-149.7164.6-177.4-16849.6-66.300111.4L116 V117 V148 E172 L173L116-Q140 HydrophobicContact CD2-CB 4.35Å; V117-Q140 PolarHBondContact O-N 3.18Å; Q140-V148 WeakPolarHBondContact O-CG1 3.36Å; Q140-E172 PolarHBondContact NE2-OE1 3.18Å; Q140-E172 VanDerWaalsContact NE2-OE1 3.08Å; Q140-L173 HydrophobicContact CB-CD2 4.48Å; Q140-L173 HydrophobicContact CG-CD2 3.55Å
141T92.1Very high92.3Very high51 Ų5153.6 Ų53.631%0.31326%0.262SS..  trans-117.2153.8173.262.60000110.9P119 Q145 V146P119-T141 HydrophobicContact CG-CG2 3.6Å; T141-Q145 WeakPolarHBondContact CA-O 3.37Å; T141-Q145 WeakPolarHBondContact CB-O 3.31Å; T141-V146 HydrophobicContact CG2-CG1 4.38Å
142V88.8Confident92.3Very high1 Ų148.4 Ų48.41%0.00623%0.234CC..BIsolated β-bridgetrans-120.6115.9177.91780000108.2E144 Q145 V148 C152 V161 H162 L173V142-E144 VanDerWaalsContact C-N 3.33Å; V142-E144 PolarHBondContact O-N 2.94Å; V142-Q145 PolarHBondContact N-O 3Å; V142-Q145 VanDerWaalsContact N-O 3.07Å; V142-Q145 VanDerWaalsContact O-CB 3.27Å; V142-Q145 WeakPolarHBondContact O-CB 3.41Å; V142-Q145 PolarHBondContact O-N 2.94Å; V142-V148 HydrophobicContact CG2-CB 4.44Å; V142-V148 HydrophobicContact CG2-CG1 4.08Å; V142-C152 HydrophobicContact CG2-CB 4.19Å; V142-V161 HydrophobicContact CG1-CB 4.1Å; V142-V161 HydrophobicContact CG1-CG1 4.41Å; V142-H162 HydrophobicContact CG1-CB 4.11Å; V142-L173 HydrophobicContact CG2-CD1 4.18Å
143A87.9Confident92.3Very high18 Ų1848.9 Ų48.915%0.14924%0.238CC..THydrogen-bonded Turntrans51.647.9-176.700000113.3Q145 H162A143-Q145 PolarHBondContact O-N 2.72Å; A143-H162 HydrophobicContact CB-CB 3.97Å; A143-H162 WeakPolarHBondContact CB-ND1 3.31Å
144E85.9Confident92.3Very high181 Ų18149.5 Ų49.585%0.84624%0.241SC*.THydrogen-bonded Turntrans62.47.8-176.4-52.9177.4172.400114.6V142V142-E144 VanDerWaalsContact C-N 3.33Å; V142-E144 PolarHBondContact O-N 2.94Å
145Q89.2Confident92.3Very high77 Ų7742.7 Ų42.736%0.3621%0.212SC..BIsolated β-bridgetrans-94133.9174.9-59.8-64.7-24.400111T141 V142 A143 Y151T141-Q145 WeakPolarHBondContact CA-O 3.37Å; T141-Q145 WeakPolarHBondContact CB-O 3.31Å; V142-Q145 PolarHBondContact N-O 3Å; V142-Q145 VanDerWaalsContact N-O 3.07Å; V142-Q145 VanDerWaalsContact O-CB 3.27Å; V142-Q145 WeakPolarHBondContact O-CB 3.41Å; V142-Q145 PolarHBondContact O-N 2.94Å; A143-Q145 PolarHBondContact O-N 2.72Å; Q145-Y151 HydrophobicContact CB-CD2 3.45Å; Q145-Y151 VanDerWaalsContact CB-CD2 3.45Å; Q145-Y151 HydrophobicContact CB-CE2 3.63Å; Q145-Y151 HydrophobicContact CB-CG 4.26Å; Q145-Y151 HydrophobicContact CG-CD2 3.76Å; Q145-Y151 HydrophobicContact CG-CE2 3.63Å; Q145-Y151 HydrophobicContact CG-CG 4.32Å
146V91.4Very high92.2Very high58 Ų5843.3 Ų43.335%0.35222%0.215SC..SBendtrans-80.7-20.2178.4-60.40000113.3H118 T141 V148H118-V146 PolarHBondContact CD2-O 2.99Å; H118-V146 VanDerWaalsContact CD2-O 3.28Å; H118-V146 VanDerWaalsContact NE2-CB 3.3Å; H118-V146 WeakPolarHBondContact NE2-CB 3.12Å; H118-V146 VanDerWaalsContact NE2-CG2 3.26Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.41Å; T141-V146 HydrophobicContact CG2-CG1 4.38Å; V146-V148 VanDerWaalsContact C-N 3.33Å; V146-V148 PolarHBondContact O-N 2.93Å; V146-V148 VanDerWaalsContact O-N 3.09Å
147L92.4Very high92.1Very high48 Ų4840.7 Ų40.725%0.25120%0.203SC..  trans-86.969.5-179.4-61-179.1000111.5N106 V107 G149 S150 Y151N106-L147 HydrophobicContact CB-CD2 4.39Å; N106-L147 CarbonylContact O-C 3.53Å; N106-L147 VanDerWaalsContact O-C 3.29Å; N106-L147 WeakPolarHBondContact O-CA 3.39Å; V107-L147 HydrophobicContact CG1-CD2 4.18Å; L147-G149 PolarHBondContact O-N 3.31Å; L147-S150 PolarHBondContact O-N 3.25Å; L147-Y151 HydrophobicContact CB-CD2 4.23Å; L147-Y151 HydrophobicContact CB-CE2 4.19Å; L147-Y151 VanDerWaalsContact O-CD2 3.27Å; L147-Y151 WeakPolarHBondContact O-CD2 3.33Å; L147-Y151 PolarHBondContact O-N 2.99Å
148V92.8Very high92.1Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-55.3-37.1-177.2-62.20000113.1V107 L116 Q140 V142 V146 S150 Y151 C152V107-V148 VanDerWaalsContact O-CG2 3.28Å; V107-V148 WeakPolarHBondContact O-CG2 3.45Å; L116-V148 HydrophobicContact CB-CB 4.36Å; L116-V148 HydrophobicContact CB-CG2 4.14Å; L116-V148 WeakPolarHBondContact O-CG2 3.41Å; Q140-V148 WeakPolarHBondContact O-CG1 3.36Å; V142-V148 HydrophobicContact CG2-CB 4.44Å; V142-V148 HydrophobicContact CG2-CG1 4.08Å; V146-V148 VanDerWaalsContact C-N 3.33Å; V146-V148 PolarHBondContact O-N 2.93Å; V146-V148 VanDerWaalsContact O-N 3.09Å; V148-S150 PolarHBondContact O-N 2.89Å; V148-Y151 PolarHBondContact O-N 2.83Å; V148-C152 WeakPolarHBondContact O-CB 3.36Å; V148-C152 PolarHBondContact O-N 3.14Å
149G90.8Very high92.1Very high5 Ų536.5 Ų36.55%0.05218%0.183CC..Hα-helixtrans-67.5-15.6178.300000114.8G105 N106 L147 A194G105-G149 CarbonylContact O-C 3.58Å; G105-G149 WeakPolarHBondContact O-CA 3.19Å; N106-G149 VanDerWaalsContact O-CA 3.3Å; N106-G149 WeakPolarHBondContact O-CA 3.26Å; N106-G149 PolarHBondContact O-N 3.16Å; L147-G149 PolarHBondContact O-N 3.31Å; G149-A194 WeakPolarHBondContact O-CB 3.47Å
150S93.5Very high92.1Very high10 Ų1031.5 Ų31.57%0.0716%0.164CC..Hα-helixtrans-93.8-36.7175.4-73.90000113.2R61 N106 L147 V148 V192 I193 A194R61-S150 PolarHBondContact NH1-OG 3.26Å; N106-S150 PolarHBondContact OD1-OG 2.81Å; L147-S150 PolarHBondContact O-N 3.25Å; V148-S150 PolarHBondContact O-N 2.89Å; S150-V192 WeakPolarHBondContact O-CG1 3.36Å; S150-I193 PolarHBondContact O-N 2.96Å; S150-A194 PolarHBondContact O-N 2.86Å; S150-A194 VanDerWaalsContact O-N 3.11Å
151Y94.2Very high92.3Very high39 Ų3929.6 Ų29.615%0.15316%0.155CC..Hα-helixtrans-103.1-2.7-169-65.4-65.6000113.6Q145 L147 V148 H162 V192Q145-Y151 HydrophobicContact CB-CD2 3.45Å; Q145-Y151 VanDerWaalsContact CB-CD2 3.45Å; Q145-Y151 HydrophobicContact CB-CE2 3.63Å; Q145-Y151 HydrophobicContact CB-CG 4.26Å; Q145-Y151 HydrophobicContact CG-CD2 3.76Å; Q145-Y151 HydrophobicContact CG-CE2 3.63Å; Q145-Y151 HydrophobicContact CG-CG 4.32Å; L147-Y151 HydrophobicContact CB-CD2 4.23Å; L147-Y151 HydrophobicContact CB-CE2 4.19Å; L147-Y151 VanDerWaalsContact O-CD2 3.27Å; L147-Y151 WeakPolarHBondContact O-CD2 3.33Å; L147-Y151 PolarHBondContact O-N 2.99Å; V148-Y151 PolarHBondContact O-N 2.83Å; Y151-H162 AromaticContact CD1-CD2 3.61Å; Y151-H162 PolarHBondContact O-N 3.12Å; Y151-V192 HydrophobicContact CE1-CG2 4.34Å
152C93.3Very high92.4Very high3 Ų327.5 Ų27.52%0.0214%0.141CC..EExtended strand (participates in β ladder)trans-135.3138.9175.9-174.90000110.4V142 V148 L160 V161V142-C152 HydrophobicContact CG2-CB 4.19Å; V148-C152 WeakPolarHBondContact O-CB 3.36Å; V148-C152 PolarHBondContact O-N 3.14Å; C152-L160 WeakPolarHBondContact CA-O 3.46Å; C152-V161 HydrophobicContact CB-CG1 4.45Å
153A94.1Very high92.6Very high13 Ų1329.8 Ų29.811%0.10716%0.156CC..EExtended strand (participates in β ladder)trans-132.8126.1166.900000108.2G159 L160 I193A153-G159 CarbonylContact O-C 3.53Å; A153-G159 WeakPolarHBondContact O-CA 3.04Å; A153-L160 PolarHBondContact N-O 3.19Å; A153-L160 PolarHBondContact O-N 3.47Å; A153-I193 HydrophobicContact CB-CG2 3.88Å
154F93.6Very high92.8Very high13 Ų1336.3 Ų36.36%0.05718%0.181CC..EExtended strand (participates in β ladder)trans-140.5151.4-179.662.8-88.8000111.5A109 N111 L116 G158 L177A109-F154 HydrophobicContact CB-CD1 4.08Å; A109-F154 HydrophobicContact CB-CE1 3.39Å; A109-F154 HydrophobicContact CB-CZ 4.24Å; A109-F154 VanDerWaalsContact O-CZ 3.28Å; A109-F154 WeakPolarHBondContact O-CZ 3.32Å; N111-F154 HydrophobicContact CB-CD2 3.68Å; N111-F154 HydrophobicContact CB-CE2 3.63Å; N111-F154 VanDerWaalsContact N-CE2 3.29Å; L116-F154 HydrophobicContact CD1-CE1 4.11Å; L116-F154 HydrophobicContact CG-CE1 4.16Å; L116-F154 HydrophobicContact CG-CZ 4.24Å; F154-G158 WeakPolarHBondContact CA-O 3.36Å; F154-L177 HydrophobicContact CD1-CD1 4.27Å; F154-L177 HydrophobicContact CD2-CD1 4.24Å; F154-L177 HydrophobicContact CE1-CD1 4.36Å; F154-L177 HydrophobicContact CE2-CD1 4.37Å; F154-L177 HydrophobicContact CE2-CD2 3.98Å; F154-L177 HydrophobicContact CG-CD1 4.19Å; F154-L177 HydrophobicContact CZ-CD1 4.43Å; F154-L177 HydrophobicContact CZ-CD2 3.99Å
155S94.1Very high93.1Very high6 Ų628 Ų284%0.04214%0.143CC..  trans-116.2-167.317377.50000109.6N111 Q157 G158 D201 F222N111-S155 PolarHBondContact ND2-O 3.19Å; S155-Q157 PolarHBondContact O-N 3.15Å; S155-Q157 PolarHBondContact OG-N 2.94Å; S155-G158 PolarHBondContact N-O 3.03Å; S155-D201 WeakPolarHBondContact CB-OD1 3.39Å; S155-F222 WeakPolarHBondContact OG-CD1 3.38Å
156N93.4Very high93.3Very high24 Ų2426.6 Ų26.613%0.12814%0.142CC..SBendtrans-76.2-13.4174.3-58.8-37.3000112.5N21 N111 D112 Y113 V179 D201N21-N156 PolarHBondContact ND2-ND2 2.97Å; N111-N156 WeakPolarHBondContact CB-OD1 3.33Å; D112-N156 PolarHBondContact N-OD1 3.31Å; D112-N156 VanDerWaalsContact N-OD1 3.1Å; D112-N156 PolarHBondContact OD2-ND2 3.22Å; Y113-N156 WeakPolarHBondContact CD2-OD1 3.45Å; Y113-N156 HydrophobicContact CE2-CB 4.14Å; N156-V179 WeakPolarHBondContact O-CG1 3.35Å; N156-D201 WeakPolarHBondContact CB-OD1 3.49Å; N156-D201 PolarHBondContact N-OD1 2.95Å; N156-D201 PolarHBondContact ND2-OD2 2.95Å
157Q91.4Very high93.4Very high73 Ų7330 Ų3034%0.34116%0.157SC..SBendtrans-99.5-27.4-175-60.1-58.3-32.300113.5S155 P180 D201S155-Q157 PolarHBondContact O-N 3.15Å; S155-Q157 PolarHBondContact OG-N 2.94Å; Q157-P180 VanDerWaalsContact O-CD 3.31Å; Q157-P180 WeakPolarHBondContact O-CD 3.33Å; Q157-P180 WeakPolarHBondContact O-CG 3.24Å; Q157-D201 HydrophobicContact CG-CB 4.32Å
158G93.9Very high93.4Very high0 Ų035.2 Ų35.20%018%0.18CC..  trans178.6-178.7-176.400000112F154 S155 P180 F222F154-G158 WeakPolarHBondContact CA-O 3.36Å; S155-G158 PolarHBondContact N-O 3.03Å; G158-P180 CarbonylContact C-O 3.58Å; G158-P180 VanDerWaalsContact CA-O 3.23Å; G158-P180 WeakPolarHBondContact CA-O 3.27Å; G158-F222 WeakPolarHBondContact O-CD1 3.28Å; G158-F222 WeakPolarHBondContact O-CE1 3.08Å
159G94.3Very high93.4Very high0 Ų038.2 Ų38.20%020%0.196CC..EExtended strand (participates in β ladder)trans-153.7155.317800000114.4A153 P180 L181 V182 V221A153-G159 CarbonylContact O-C 3.53Å; A153-G159 WeakPolarHBondContact O-CA 3.04Å; G159-P180 PolarHBondContact N-O 3.19Å; G159-L181 VanDerWaalsContact CA-CD2 3.47Å; G159-L181 WeakPolarHBondContact O-CA 3.37Å; G159-V182 PolarHBondContact O-N 3.3Å; G159-V221 WeakPolarHBondContact O-CG2 3.32Å
160L95Very high93.5Very high1 Ų139.4 Ų39.41%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-113.5126.5176.3-166.372000108.5C152 A153 V182 V186 I193 M197 V217 I218 F222C152-L160 WeakPolarHBondContact CA-O 3.46Å; A153-L160 PolarHBondContact N-O 3.19Å; A153-L160 PolarHBondContact O-N 3.47Å; L160-V182 WeakPolarHBondContact CA-O 3.34Å; L160-V182 WeakPolarHBondContact CD1-O 3.11Å; L160-V186 HydrophobicContact CD2-CG1 4.02Å; L160-I193 HydrophobicContact CB-CG2 4.03Å; L160-I193 HydrophobicContact CD2-CD1 4.16Å; L160-I193 HydrophobicContact CD2-CG2 3.73Å; L160-I193 HydrophobicContact CG-CD1 4.45Å; L160-I193 HydrophobicContact CG-CG2 4.04Å; L160-M197 HydrophobicContact CD2-SD 3.8Å; L160-V217 HydrophobicContact CD1-CG1 4.44Å; L160-I218 HydrophobicContact CD2-CG1 4.19Å; L160-F222 HydrophobicContact CB-CE2 4.17Å; L160-F222 HydrophobicContact CB-CZ 4.18Å
161V95.4Very high93.5Very high0 Ų043.7 Ų43.70%022%0.222CC..EExtended strand (participates in β ladder)trans-115.4167.2179.2-62.50000111V142 C152 T165 Q170 L181 V182 A183 G184V142-V161 HydrophobicContact CG1-CB 4.1Å; V142-V161 HydrophobicContact CG1-CG1 4.41Å; C152-V161 HydrophobicContact CB-CG1 4.45Å; V161-T165 HydrophobicContact CG2-CG2 4.21Å; V161-Q170 HydrophobicContact CG2-CG 3.97Å; V161-L181 HydrophobicContact CG1-CD1 4.2Å; V161-L181 HydrophobicContact CG1-CD2 4.41Å; V161-V182 PolarHBondContact N-O 2.7Å; V161-A183 HydrophobicContact CG2-CB 4.1Å; V161-G184 PolarHBondContact O-N 3.08Å; V161-G184 VanDerWaalsContact O-N 3.16Å
162H94.6Very high93.4Very high7 Ų746.7 Ų46.73%0.03224%0.238CC..  trans-49.1139.2176.5-174.5-91.6000112.1V142 A143 Y151 K164 T165 E191V142-H162 HydrophobicContact CG1-CB 4.11Å; A143-H162 HydrophobicContact CB-CB 3.97Å; A143-H162 WeakPolarHBondContact CB-ND1 3.31Å; Y151-H162 AromaticContact CD1-CD2 3.61Å; Y151-H162 PolarHBondContact O-N 3.12Å; H162-K164 PolarHBondContact ND1-N 3.02Å; H162-K164 VanDerWaalsContact ND1-N 3.14Å; H162-K164 PolarHBondContact O-N 2.93Å; H162-K164 VanDerWaalsContact O-N 3.15Å; H162-T165 VanDerWaalsContact O-CB 3.32Å; H162-T165 WeakPolarHBondContact O-CB 3.47Å; H162-T165 PolarHBondContact O-N 3.24Å; H162-T165 PolarHBondContact O-OG1 3.26Å; H162-E191 IonicContact NE2-OE2 3.9Å; H162-E191 PolarHBondContact NE2-OE2 3.25Å
163P92.8Very high93.4Very high49 Ų4946.7 Ų46.732%0.31824%0.237SC..THydrogen-bonded Turntrans-65.3-22.8-172.626.1-37000114.3T165 G184 T185 E191P163-T165 VanDerWaalsContact C-N 3.35Å; P163-G184 VanDerWaalsContact CD-O 3.3Å; P163-G184 WeakPolarHBondContact CD-O 3.24Å; P163-T185 HydrophobicContact CB-CG2 3.84Å; P163-T185 HydrophobicContact CG-CG2 3.78Å; P163-E191 HydrophobicContact CG-CB 4.16Å
164K92.8Very high93.4Very high155 Ų15547.7 Ų47.767%0.67424%0.243SC*.THydrogen-bonded Turntrans-90.97.3177.9-53.4-179.5-171136.50113.7H162 S166 E191H162-K164 PolarHBondContact ND1-N 3.02Å; H162-K164 VanDerWaalsContact ND1-N 3.14Å; H162-K164 PolarHBondContact O-N 2.93Å; H162-K164 VanDerWaalsContact O-N 3.15Å; K164-S166 PolarHBondContact O-N 3.16Å; K164-E191 IonicContact NZ-OE2 2.71Å; K164-E191 PolarHBondContact NZ-OE2 3.37Å
165T92.3Very high93.3Very high7 Ų750.8 Ų50.84%0.04327%0.267CS..  trans-65.4130.8176.8-49.30000109V161 H162 P163 D169 Q170V161-T165 HydrophobicContact CG2-CG2 4.21Å; H162-T165 VanDerWaalsContact O-CB 3.32Å; H162-T165 WeakPolarHBondContact O-CB 3.47Å; H162-T165 PolarHBondContact O-N 3.24Å; H162-T165 PolarHBondContact O-OG1 3.26Å; P163-T165 VanDerWaalsContact C-N 3.35Å; T165-D169 HydrophobicContact CG2-CB 3.72Å; T165-Q170 HydrophobicContact CG2-CG 3.86Å; T165-Q170 PolarHBondContact O-NE2 3.16Å
166S93.9Very high93.2Very high48 Ų4852.6 Ų52.634%0.33628%0.276SS..  trans-66.2160.817977.30000110.7K164 E168 D169 Q170K164-S166 PolarHBondContact O-N 3.16Å; S166-E168 VanDerWaalsContact C-N 3.26Å; S166-D169 WeakPolarHBondContact CB-OD2 3.5Å; S166-D169 PolarHBondContact O-N 2.83Å; S166-D169 WeakPolarHBondContact OG-CB 3.33Å; S166-D169 PolarHBondContact OG-N 3.28Å; S166-D169 PolarHBondContact OG-OD2 3.44Å; S166-Q170 WeakPolarHBondContact O-CB 3.37Å; S166-Q170 WeakPolarHBondContact O-CG 3.44Å; S166-Q170 PolarHBondContact O-N 3.44Å; S166-Q170 PolarHBondContact O-NE2 2.89Å
167I92.8Very high93.1Very high128 Ų12851.7 Ų51.766%0.65627%0.271SS*.Hα-helixtrans-66.8-35.8176.7-63.1169.7000109.9Q170 D171I167-Q170 WeakPolarHBondContact O-CB 3.41Å; I167-Q170 PolarHBondContact O-N 2.77Å; I167-D171 PolarHBondContact O-N 2.75Å
168E93.1Very high93.1Very high158 Ų15856 Ų5674%0.73829%0.291SS*.Hα-helixtrans-62.2-47.2176.8-62.8178.9-175.700111.2S166 Q170 D171 E172S166-E168 VanDerWaalsContact C-N 3.26Å; E168-Q170 VanDerWaalsContact C-N 3.31Å; E168-Q170 PolarHBondContact O-N 3.1Å; E168-D171 PolarHBondContact O-N 2.83Å; E168-E172 PolarHBondContact O-N 3.05Å
169D92.3Very high93Very high63 Ų6356.5 Ų56.534%0.33729%0.294SS..Hα-helixtrans-65.2-36.1176.6-58.1-36.3000111.7T165 S166 E172 L173T165-D169 HydrophobicContact CG2-CB 3.72Å; S166-D169 WeakPolarHBondContact CB-OD2 3.5Å; S166-D169 PolarHBondContact O-N 2.83Å; S166-D169 WeakPolarHBondContact OG-CB 3.33Å; S166-D169 PolarHBondContact OG-N 3.28Å; S166-D169 PolarHBondContact OG-OD2 3.44Å; D169-E172 PolarHBondContact O-N 3.46Å; D169-L173 VanDerWaalsContact O-CB 3.28Å; D169-L173 WeakPolarHBondContact O-CB 3.3Å; D169-L173 WeakPolarHBondContact O-CG 3.33Å; D169-L173 PolarHBondContact O-N 3.13Å
170Q93Very high93Very high31 Ų3159.1 Ų59.115%0.14531%0.311CS..Hα-helixtrans-63.2-43.8175.5-79.417276.700111.4V161 T165 S166 I167 E168 S174 A183V161-Q170 HydrophobicContact CG2-CG 3.97Å; T165-Q170 HydrophobicContact CG2-CG 3.86Å; T165-Q170 PolarHBondContact O-NE2 3.16Å; S166-Q170 WeakPolarHBondContact O-CB 3.37Å; S166-Q170 WeakPolarHBondContact O-CG 3.44Å; S166-Q170 PolarHBondContact O-N 3.44Å; S166-Q170 PolarHBondContact O-NE2 2.89Å; I167-Q170 WeakPolarHBondContact O-CB 3.41Å; I167-Q170 PolarHBondContact O-N 2.77Å; E168-Q170 VanDerWaalsContact C-N 3.31Å; E168-Q170 PolarHBondContact O-N 3.1Å; Q170-S174 WeakPolarHBondContact O-CB 3.48Å; Q170-S174 PolarHBondContact O-N 3.05Å; Q170-A183 VanDerWaalsContact OE1-N 3.11Å
171D93.3Very high92.9Very high99 Ų9960 Ų6053%0.52932%0.315SS..Hα-helixtrans-68.5-37.8178.7-73.9-22.4000111.8I167 E168 S175I167-D171 PolarHBondContact O-N 2.75Å; E168-D171 PolarHBondContact O-N 2.83Å; D171-S175 WeakPolarHBondContact O-CB 3.36Å; D171-S175 PolarHBondContact O-N 2.96Å; D171-S175 PolarHBondContact O-OG 3.03Å
172E92.4Very high92.9Very high103 Ų10362.4 Ų62.448%0.48133%0.33SS..Hα-helixtrans-63.2-51.6173.5-174.1-178.1159.800111.2Q140 E168 D169 S174 S175 L176Q140-E172 PolarHBondContact NE2-OE1 3.18Å; Q140-E172 VanDerWaalsContact NE2-OE1 3.08Å; E168-E172 PolarHBondContact O-N 3.05Å; D169-E172 PolarHBondContact O-N 3.46Å; E172-S174 VanDerWaalsContact C-N 3.32Å; E172-S174 PolarHBondContact O-N 3.37Å; E172-S175 PolarHBondContact O-N 2.71Å; E172-L176 WeakPolarHBondContact O-CB 3.3Å; E172-L176 PolarHBondContact O-N 3.08Å
173L92.7Very high92.9Very high3 Ų363.5 Ų63.52%0.01634%0.34CS..Hα-helixtrans-63.3-38.5178.7-73.3171000111.9L116 Q140 V142 D169 L176 L177 L181L116-L173 HydrophobicContact CD1-CD2 4.04Å; Q140-L173 HydrophobicContact CB-CD2 4.48Å; Q140-L173 HydrophobicContact CG-CD2 3.55Å; V142-L173 HydrophobicContact CG2-CD1 4.18Å; D169-L173 VanDerWaalsContact O-CB 3.28Å; D169-L173 WeakPolarHBondContact O-CB 3.3Å; D169-L173 WeakPolarHBondContact O-CG 3.33Å; D169-L173 PolarHBondContact O-N 3.13Å; L173-L176 PolarHBondContact O-N 3.01Å; L173-L177 WeakPolarHBondContact O-CB 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.44Å; L173-L177 PolarHBondContact O-N 2.98Å; L173-L181 HydrophobicContact CB-CD1 3.27Å; L173-L181 HydrophobicContact CD1-CD1 4.42Å; L173-L181 HydrophobicContact CG-CD1 4.45Å
174S93.3Very high92.9Very high33 Ų3361.9 Ų61.923%0.23133%0.333CS..Hα-helixtrans-63.7-41.8175.6178.10000111.2Q170 E172 L176 Q178 V179Q170-S174 WeakPolarHBondContact O-CB 3.48Å; Q170-S174 PolarHBondContact O-N 3.05Å; E172-S174 VanDerWaalsContact C-N 3.32Å; E172-S174 PolarHBondContact O-N 3.37Å; S174-L176 VanDerWaalsContact C-N 3.34Å; S174-Q178 VanDerWaalsContact O-CA 3.29Å; S174-Q178 WeakPolarHBondContact O-CA 3.3Å; S174-Q178 PolarHBondContact O-N 2.88Å; S174-V179 WeakPolarHBondContact CA-O 3.18Å; S174-V179 PolarHBondContact O-N 2.95Å; S174-V179 PolarHBondContact OG-O 2.82Å
175S92.5Very high93Very high79 Ų7956.3 Ų56.355%0.55231%0.312SS*.Hα-helixtrans-67.4-34.6175.3-59.50000112.3D171 E172 Q178D171-S175 WeakPolarHBondContact O-CB 3.36Å; D171-S175 PolarHBondContact O-N 2.96Å; D171-S175 PolarHBondContact O-OG 3.03Å; E172-S175 PolarHBondContact O-N 2.71Å; S175-Q178 PolarHBondContact O-NE2 3.14Å
176L91.8Very high93.1Very high44 Ų4456 Ų5623%0.2331%0.309CS..Hα-helixtrans-74.9-46.2178.2-177.4151.4000111.8V114 L116 F138 E172 L173 S174 Q178V114-L176 HydrophobicContact CG1-CD2 4.22Å; L116-L176 HydrophobicContact CD2-CD2 3.7Å; F138-L176 HydrophobicContact CB-CD1 4Å; F138-L176 HydrophobicContact CB-CD2 3.98Å; F138-L176 HydrophobicContact CB-CG 4.47Å; F138-L176 HydrophobicContact CD1-CD1 3.93Å; F138-L176 HydrophobicContact CD1-CD2 4.46Å; F138-L176 HydrophobicContact CD1-CG 4.25Å; F138-L176 HydrophobicContact CD2-CD1 4.44Å; F138-L176 HydrophobicContact CD2-CD2 3.51Å; F138-L176 HydrophobicContact CD2-CG 4.08Å; F138-L176 HydrophobicContact CE2-CD2 4.06Å; F138-L176 HydrophobicContact CE2-CG 4.37Å; F138-L176 HydrophobicContact CG-CD1 3.87Å; F138-L176 HydrophobicContact CG-CD2 3.73Å; F138-L176 HydrophobicContact CG-CG 4.01Å; E172-L176 WeakPolarHBondContact O-CB 3.3Å; E172-L176 PolarHBondContact O-N 3.08Å; L173-L176 PolarHBondContact O-N 3.01Å; S174-L176 VanDerWaalsContact C-N 3.34Å; L176-Q178 VanDerWaalsContact C-N 3.32Å
177L90.5Very high93.1Very high5 Ų554.7 Ų54.73%0.02630%0.299CS..Hα-helixtrans-80-14-179.4-63.5179.4000113.5V114 L116 F154 L173 V179 L181V114-L177 HydrophobicContact CB-CD2 4Å; V114-L177 HydrophobicContact CG1-CD2 3.52Å; L116-L177 HydrophobicContact CD1-CD1 4.18Å; L116-L177 HydrophobicContact CD1-CD2 4.29Å; L116-L177 HydrophobicContact CD2-CD2 3.94Å; L116-L177 HydrophobicContact CG-CD2 3.97Å; F154-L177 HydrophobicContact CD1-CD1 4.27Å; F154-L177 HydrophobicContact CD2-CD1 4.24Å; F154-L177 HydrophobicContact CE1-CD1 4.36Å; F154-L177 HydrophobicContact CE2-CD1 4.37Å; F154-L177 HydrophobicContact CE2-CD2 3.98Å; F154-L177 HydrophobicContact CG-CD1 4.19Å; F154-L177 HydrophobicContact CZ-CD1 4.43Å; F154-L177 HydrophobicContact CZ-CD2 3.99Å; L173-L177 WeakPolarHBondContact O-CB 3.49Å; L173-L177 WeakPolarHBondContact O-CG 3.44Å; L173-L177 PolarHBondContact O-N 2.98Å; L177-V179 HydrophobicContact CB-CG2 3.78Å; L177-V179 HydrophobicContact CD1-CG2 4.4Å; L177-V179 PolarHBondContact O-N 2.95Å; L177-L181 HydrophobicContact CD1-CD1 4.08Å; L177-L181 HydrophobicContact CD1-CD2 4.13Å
178Q91.4Very high93.1Very high163 Ų16358.3 Ų58.376%0.76230%0.304SS*.THydrogen-bonded Turntrans58.225.1-174.6-60.2-74.1-49.200113.5S174 S175 L176S174-Q178 VanDerWaalsContact O-CA 3.29Å; S174-Q178 WeakPolarHBondContact O-CA 3.3Å; S174-Q178 PolarHBondContact O-N 2.88Å; S175-Q178 PolarHBondContact O-NE2 3.14Å; L176-Q178 VanDerWaalsContact C-N 3.32Å
179V93.2Very high93Very high11 Ų1153 Ų537%0.06729%0.292CS..SBendtrans-132.5146.9178.5-58.50000110.3N156 S174 L177 L181N156-V179 WeakPolarHBondContact O-CG1 3.35Å; S174-V179 WeakPolarHBondContact CA-O 3.18Å; S174-V179 PolarHBondContact O-N 2.95Å; S174-V179 PolarHBondContact OG-O 2.82Å; L177-V179 HydrophobicContact CB-CG2 3.78Å; L177-V179 HydrophobicContact CD1-CG2 4.4Å; L177-V179 PolarHBondContact O-N 2.95Å; V179-L181 HydrophobicContact CG2-CD2 4.26Å; V179-L181 PolarHBondContact O-N 2.91Å
180P93.1Very high93.1Very high54 Ų5451.8 Ų51.835%0.35129%0.288SS..  trans-64.4130.8177.827.5-35.1000110.9Q157 G158 G159Q157-P180 VanDerWaalsContact O-CD 3.31Å; Q157-P180 WeakPolarHBondContact O-CD 3.33Å; Q157-P180 WeakPolarHBondContact O-CG 3.24Å; G158-P180 CarbonylContact C-O 3.58Å; G158-P180 VanDerWaalsContact CA-O 3.23Å; G158-P180 WeakPolarHBondContact CA-O 3.27Å; G159-P180 PolarHBondContact N-O 3.19Å
181L93.9Very high93Very high19 Ų1953.9 Ų53.910%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-112.4143.6175.1-63.1179.4000110.9G159 V161 L173 L177 V179G159-L181 VanDerWaalsContact CA-CD2 3.47Å; G159-L181 WeakPolarHBondContact O-CA 3.37Å; V161-L181 HydrophobicContact CG1-CD1 4.2Å; V161-L181 HydrophobicContact CG1-CD2 4.41Å; L173-L181 HydrophobicContact CB-CD1 3.27Å; L173-L181 HydrophobicContact CD1-CD1 4.42Å; L173-L181 HydrophobicContact CG-CD1 4.45Å; L177-L181 HydrophobicContact CD1-CD1 4.08Å; L177-L181 HydrophobicContact CD1-CD2 4.13Å; V179-L181 HydrophobicContact CG2-CD2 4.26Å; V179-L181 PolarHBondContact O-N 2.91Å
182V94.4Very high93Very high52 Ų5250.8 Ų50.832%0.31528%0.283SS..EExtended strand (participates in β ladder)trans-131.7136.7174.4176.40000108.9G159 L160 V161 V217 V221G159-V182 PolarHBondContact O-N 3.3Å; L160-V182 WeakPolarHBondContact CA-O 3.34Å; L160-V182 WeakPolarHBondContact CD1-O 3.11Å; V161-V182 PolarHBondContact N-O 2.7Å; V182-V217 HydrophobicContact CG1-CG1 4.04Å; V182-V221 HydrophobicContact CB-CG2 4Å; V182-V221 HydrophobicContact CG2-CB 4.22Å; V182-V221 HydrophobicContact CG2-CG2 3.64Å
183A94.6Very high93.1Very high29 Ų2945.9 Ų45.924%0.2426%0.26CS..EExtended strand (participates in β ladder)trans-77.9129.6167.500000110.8V161 Q170V161-A183 HydrophobicContact CG2-CB 4.1Å; Q170-A183 VanDerWaalsContact OE1-N 3.11Å
184G93.6Very high93.1Very high15 Ų1546.5 Ų46.516%0.15527%0.265CS..  trans-161.8-169.8179.300000113.2V161 P163 I193V161-G184 PolarHBondContact O-N 3.08Å; V161-G184 VanDerWaalsContact O-N 3.16Å; P163-G184 VanDerWaalsContact CD-O 3.3Å; P163-G184 WeakPolarHBondContact CD-O 3.24Å; G184-I193 WeakPolarHBondContact O-CD1 3.37Å
185T94.9Very high93.1Very high38 Ų3844.9 Ų44.923%0.23325%0.254CS..  trans-132.3163.8179.456.50000110.8P163 S190 E214P163-T185 HydrophobicContact CB-CG2 3.84Å; P163-T185 HydrophobicContact CG-CG2 3.78Å; T185-S190 WeakPolarHBondContact CB-O 3.16Å; T185-E214 WeakPolarHBondContact CB-OE1 3.32Å; T185-E214 WeakPolarHBondContact O-CG 3.15Å; T185-E214 PolarHBondContact OG1-OE1 2.93Å
186V94.1Very high93.1Very high0 Ų041.1 Ų41.10%023%0.228CC..BIsolated β-bridgetrans-128.1162.8174.2-66.80000109.4L160 R188 G189 S190 I193 M197 I218L160-V186 HydrophobicContact CD2-CG1 4.02Å; V186-R188 PolarHBondContact O-N 2.82Å; V186-G189 PolarHBondContact O-N 3.03Å; V186-S190 PolarHBondContact N-O 2.81Å; V186-S190 VanDerWaalsContact N-O 3.16Å; V186-S190 WeakPolarHBondContact O-CA 3.45Å; V186-S190 WeakPolarHBondContact O-CB 3.28Å; V186-S190 PolarHBondContact O-N 3.14Å; V186-I193 HydrophobicContact CG1-CD1 4.39Å; V186-I193 HydrophobicContact CG1-CG2 4.46Å; V186-I193 HydrophobicContact CG2-CD1 4.3Å; V186-M197 HydrophobicContact CG1-CB 4.47Å; V186-M197 HydrophobicContact CG1-CG 4.23Å; V186-M197 HydrophobicContact CG1-SD 3.66Å; V186-I218 HydrophobicContact CG1-CD1 4.26Å
187N93.8Very high93.3Very high21 Ų2139.1 Ų39.111%0.11222%0.218CC..THydrogen-bonded Turntrans51.548.2174.9-67.8-30.7000114.5N11 G196 G207 D209 T210N11-N187 PolarHBondContact O-ND2 3.08Å; N187-G196 VanDerWaalsContact ND2-CA 3.28Å; N187-G196 WeakPolarHBondContact ND2-CA 3.35Å; N187-G207 WeakPolarHBondContact OD1-CA 3.49Å; N187-G207 PolarHBondContact OD1-N 3.07Å; N187-G207 PolarHBondContact OD1-O 3.37Å; N187-D209 HydrophobicContact CB-CB 4.41Å; N187-T210 PolarHBondContact N-OG1 3.45Å; N187-T210 PolarHBondContact OD1-OG1 3.12Å; N187-T210 VanDerWaalsContact OD1-OG1 3.08Å
188R92.8Very high93.5Very high205 Ų20539.6 Ų39.677%0.77422%0.22SC*.THydrogen-bonded Turntrans63.350.2176.2-162.2-177.1178.1172.5-0.1112.7V186 D209 T211 E214V186-R188 PolarHBondContact O-N 2.82Å; R188-D209 PolarHBondContact N-O 2.9Å; R188-T211 HydrophobicContact CB-CG2 4.23Å; R188-T211 HydrophobicContact CG-CG2 4.11Å; R188-E214 PolarHBondContact N-OE1 2.83Å; R188-E214 PolarHBondContact N-OE2 3.41Å; R188-E214 VanDerWaalsContact N-OE2 3.1Å
189G91.5Very high93.6Very high47 Ų4732.6 Ų32.649%0.48519%0.189SC..THydrogen-bonded Turntrans9513.5174.100000115.7V186 E214V186-G189 PolarHBondContact O-N 3.03Å; G189-E214 PolarHBondContact N-OE1 3.41Å
190S93.4Very high93.6Very high36 Ų3632.2 Ų32.225%0.25219%0.186SC..BIsolated β-bridgetrans-68132.8170.2-1730000110.6T185 V186 V192T185-S190 WeakPolarHBondContact CB-O 3.16Å; V186-S190 PolarHBondContact N-O 2.81Å; V186-S190 VanDerWaalsContact N-O 3.16Å; V186-S190 WeakPolarHBondContact O-CA 3.45Å; V186-S190 WeakPolarHBondContact O-CB 3.28Å; V186-S190 PolarHBondContact O-N 3.14Å; S190-V192 PolarHBondContact OG-N 3.33Å
191E92.3Very high93.5Very high75 Ų7531.1 Ų31.135%0.3518%0.178SC..SBendtrans-85-11.2178.365.4-175.1-174.100112.9H162 P163 K164 I193H162-E191 IonicContact NE2-OE2 3.9Å; H162-E191 PolarHBondContact NE2-OE2 3.25Å; P163-E191 HydrophobicContact CG-CB 4.16Å; K164-E191 IonicContact NZ-OE2 2.71Å; K164-E191 PolarHBondContact NZ-OE2 3.37Å; E191-I193 PolarHBondContact O-N 3.29Å
192V93.6Very high93.2Very high34 Ų3433.7 Ų33.721%0.20619%0.186CC..  trans-90.881.1-179.1-162.60000110.2S150 Y151 S190 A194 A195 G196S150-V192 WeakPolarHBondContact O-CG1 3.36Å; Y151-V192 HydrophobicContact CE1-CG2 4.34Å; S190-V192 PolarHBondContact OG-N 3.33Å; V192-A194 PolarHBondContact O-N 3.08Å; V192-A195 HydrophobicContact CB-CB 3.98Å; V192-A195 HydrophobicContact CG1-CB 3.66Å; V192-A195 WeakPolarHBondContact O-CB 3.05Å; V192-A195 PolarHBondContact O-N 3.16Å; V192-A195 VanDerWaalsContact O-N 3.16Å; V192-G196 PolarHBondContact O-N 2.89Å
193I93.9Very high93.1Very high0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-56.5-53.9-172-53.7-52000112.3S150 A153 L160 G184 V186 E191 A195 G196 M197S150-I193 PolarHBondContact O-N 2.96Å; A153-I193 HydrophobicContact CB-CG2 3.88Å; L160-I193 HydrophobicContact CB-CG2 4.03Å; L160-I193 HydrophobicContact CD2-CD1 4.16Å; L160-I193 HydrophobicContact CD2-CG2 3.73Å; L160-I193 HydrophobicContact CG-CD1 4.45Å; L160-I193 HydrophobicContact CG-CG2 4.04Å; G184-I193 WeakPolarHBondContact O-CD1 3.37Å; V186-I193 HydrophobicContact CG1-CD1 4.39Å; V186-I193 HydrophobicContact CG1-CG2 4.46Å; V186-I193 HydrophobicContact CG2-CD1 4.3Å; E191-I193 PolarHBondContact O-N 3.29Å; I193-A195 PolarHBondContact O-N 3.26Å; I193-G196 PolarHBondContact O-N 3.04Å; I193-M197 HydrophobicContact CG2-CG 4.25Å; I193-M197 HydrophobicContact CG2-SD 3.92Å; I193-M197 WeakPolarHBondContact O-CG 3.1Å; I193-M197 PolarHBondContact O-N 2.96Å; I193-M197 VanDerWaalsContact O-N 3.15Å
194A92.9Very high93Very high16 Ų1630.1 Ų30.113%0.13216%0.162CC..Hα-helixtrans-70.4-14.3-17700000113.6G14 G149 S150 V192G14-A194 VanDerWaalsContact CA-O 3.32Å; G14-A194 WeakPolarHBondContact CA-O 3.22Å; G149-A194 WeakPolarHBondContact O-CB 3.47Å; S150-A194 PolarHBondContact O-N 2.86Å; S150-A194 VanDerWaalsContact O-N 3.11Å; V192-A194 PolarHBondContact O-N 3.08Å
195A93.4Very high93.1Very high0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-71.6-48.6167.500000110E12 I13 G14 V192 I193 M197E12-A195 CarbonylContact C-O 3.59Å; E12-A195 WeakPolarHBondContact CA-O 3.24Å; E12-A195 HydrophobicContact CB-CB 4.04Å; E12-A195 HydrophobicContact CG-CB 3.86Å; I13-A195 PolarHBondContact N-O 3.27Å; I13-A195 VanDerWaalsContact N-O 3.12Å; G14-A195 WeakPolarHBondContact CA-O 3.35Å; G14-A195 PolarHBondContact N-O 3.04Å; V192-A195 HydrophobicContact CB-CB 3.98Å; V192-A195 HydrophobicContact CG1-CB 3.66Å; V192-A195 WeakPolarHBondContact O-CB 3.05Å; V192-A195 PolarHBondContact O-N 3.16Å; V192-A195 VanDerWaalsContact O-N 3.16Å; I193-A195 PolarHBondContact O-N 3.26Å; A195-M197 VanDerWaalsContact C-N 3.33Å; A195-M197 PolarHBondContact O-N 3.46Å
196G92.9Very high93.1Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-80-15.2-167.800000114.2N187 V192 I193 C206 G207N187-G196 VanDerWaalsContact ND2-CA 3.28Å; N187-G196 WeakPolarHBondContact ND2-CA 3.35Å; V192-G196 PolarHBondContact O-N 2.89Å; I193-G196 PolarHBondContact O-N 3.04Å; G196-C206 CarbonylContact O-C 3.29Å; G196-C206 WeakPolarHBondContact O-CA 3.47Å; G196-G207 PolarHBondContact O-N 3.01Å
197M94.6Very high93.1Very high2 Ų227.7 Ų27.71%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-150.9159.8-177.974.6-173.2-46.900114.7L160 V186 I193 A195 A204 F205 C206 I218 F222L160-M197 HydrophobicContact CD2-SD 3.8Å; V186-M197 HydrophobicContact CG1-CB 4.47Å; V186-M197 HydrophobicContact CG1-CG 4.23Å; V186-M197 HydrophobicContact CG1-SD 3.66Å; I193-M197 HydrophobicContact CG2-CG 4.25Å; I193-M197 HydrophobicContact CG2-SD 3.92Å; I193-M197 WeakPolarHBondContact O-CG 3.1Å; I193-M197 PolarHBondContact O-N 2.96Å; I193-M197 VanDerWaalsContact O-N 3.15Å; A195-M197 VanDerWaalsContact C-N 3.33Å; A195-M197 PolarHBondContact O-N 3.46Å; M197-A204 HydrophobicContact CE-CB 4.47Å; M197-F205 CarbonylContact C-O 3.51Å; M197-F205 WeakPolarHBondContact CA-O 3.47Å; M197-F205 VanDerWaalsContact CB-O 3.31Å; M197-F205 WeakPolarHBondContact CB-O 3.17Å; M197-C206 HydrophobicContact CB-CB 4.18Å; M197-I218 HydrophobicContact CE-CB 4.23Å; M197-I218 HydrophobicContact CE-CD1 3.57Å; M197-I218 HydrophobicContact CE-CG1 3.71Å; M197-I218 HydrophobicContact CE-CG2 3.48Å; M197-I218 VanDerWaalsContact CE-CG2 3.48Å; M197-I218 HydrophobicContact SD-CD1 4.16Å; M197-I218 HydrophobicContact SD-CG1 4.34Å; M197-F222 HydrophobicContact CE-CE2 4.16Å
198V94.9Very high93.1Very high14 Ų1431.1 Ų31.19%0.08516%0.162CC..EExtended strand (participates in β ladder)trans-132.6146.9166.1-65.40000109.1I13 G14 L19 F38 A204 F205I13-V198 HydrophobicContact CG2-CG2 4.4Å; G14-V198 VanDerWaalsContact CA-CG1 3.46Å; L19-V198 HydrophobicContact CB-CB 3.95Å; L19-V198 HydrophobicContact CB-CG2 4.02Å; L19-V198 HydrophobicContact CD2-CG2 4.41Å; F38-V198 HydrophobicContact CE1-CG2 4.23Å; F38-V198 HydrophobicContact CZ-CG2 4.43Å; V198-A204 CarbonylContact O-C 3.5Å; V198-A204 WeakPolarHBondContact O-CA 3.43Å; V198-F205 HydrophobicContact CG2-CB 3.83Å; V198-F205 HydrophobicContact CG2-CD2 4.1Å; V198-F205 HydrophobicContact CG2-CG 4.41Å; V198-F205 PolarHBondContact N-O 3.15Å; V198-F205 PolarHBondContact O-N 3.43Å
199V94.6Very high93.2Very high16 Ų1625.7 Ų25.710%0.09715%0.148CC..EExtended strand (participates in β ladder)trans-145.8143.5-171.761.70000110.9A204 F222V199-A204 HydrophobicContact CB-CB 4.18Å; V199-A204 HydrophobicContact CG2-CB 3.93Å; V199-F222 HydrophobicContact CB-CE1 4.31Å; V199-F222 HydrophobicContact CB-CZ 4.37Å; V199-F222 HydrophobicContact CG1-CD1 4.25Å; V199-F222 HydrophobicContact CG1-CE1 3.63Å; V199-F222 HydrophobicContact CG1-CE2 4.42Å; V199-F222 HydrophobicContact CG1-CZ 3.74Å; V199-F222 HydrophobicContact CG2-CB 4.2Å; V199-F222 HydrophobicContact CG2-CD1 3.6Å; V199-F222 HydrophobicContact CG2-CD2 4.02Å; V199-F222 HydrophobicContact CG2-CE1 3.86Å; V199-F222 HydrophobicContact CG2-CE2 4.29Å; V199-F222 HydrophobicContact CG2-CG 3.68Å; V199-F222 HydrophobicContact CG2-CZ 4.21Å
200N92.7Very high93.4Very high3 Ų323.5 Ų23.52%0.01613%0.125CC..  trans-125.8-167.7163.769.98.5000109.2L19 N21 W202 C203L19-N200 HydrophobicContact CD2-CB 3.92Å; L19-N200 HydrophobicContact CG-CB 3.92Å; N21-N200 WeakPolarHBondContact OD1-CB 3.5Å; N200-W202 VanDerWaalsContact ND2-CZ2 3.29Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.42Å; N200-W202 PolarHBondContact O-N 2.75Å; N200-W202 PolarHBondContact OD1-N 3.38Å; N200-W202 VanDerWaalsContact OD1-N 3.09Å; N200-C203 PolarHBondContact N-O 3.22Å; N200-C203 WeakPolarHBondContact OD1-CA 3.3Å; N200-C203 PolarHBondContact OD1-N 3.41Å; N200-C203 PolarHBondContact OD1-O 3.39Å
201D90.6Very high93.5Very high32 Ų3223.9 Ų23.917%0.17113%0.126CC..SBendtrans-72.9-11.4-173.5-67.3-15.6000114.6N21 S155 N156 Q157N21-D201 PolarHBondContact ND2-OD2 3.45Å; N21-D201 PolarHBondContact OD1-N 2.86Å; S155-D201 WeakPolarHBondContact CB-OD1 3.39Å; N156-D201 WeakPolarHBondContact CB-OD1 3.49Å; N156-D201 PolarHBondContact N-OD1 2.95Å; N156-D201 PolarHBondContact ND2-OD2 2.95Å; Q157-D201 HydrophobicContact CG-CB 4.32Å
202W88.5Confident93.4Very high72 Ų7224.3 Ų24.327%0.27314%0.137SC..SBendtrans-131.3-20.6-175.96292.3000115.3M1 N21 I46 N200 A227M1-W202 PolarHBondContact N-O 3.32Å; N21-W202 HydrophobicContact CB-CH2 4.35Å; N21-W202 HydrophobicContact CB-CZ3 4.12Å; N21-W202 VanDerWaalsContact O-CH2 3.28Å; N21-W202 WeakPolarHBondContact O-CH2 3.14Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.44Å; I46-W202 HydrophobicContact CD1-CZ2 4.38Å; I46-W202 HydrophobicContact CG2-CH2 4.13Å; I46-W202 HydrophobicContact CG2-CZ2 3.96Å; N200-W202 VanDerWaalsContact ND2-CZ2 3.29Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.42Å; N200-W202 PolarHBondContact O-N 2.75Å; N200-W202 PolarHBondContact OD1-N 3.38Å; N200-W202 VanDerWaalsContact OD1-N 3.09Å; W202-A227 HydrophobicContact CB-CB 4.14Å
203C91.1Very high93.4Very high7 Ų727.7 Ų27.75%0.04716%0.158CC..  trans-134.4146.5-179.4-73.90000111.7L42 N200 F205L42-C203 HydrophobicContact CD2-CB 4.47Å; N200-C203 PolarHBondContact N-O 3.22Å; N200-C203 WeakPolarHBondContact OD1-CA 3.3Å; N200-C203 PolarHBondContact OD1-N 3.41Å; N200-C203 PolarHBondContact OD1-O 3.39Å; C203-F205 HydrophobicContact CB-CE2 4.32Å
204A93.9Very high93.4Very high0 Ų028.4 Ų28.40%016%0.162CC..EExtended strand (participates in β ladder)trans-130.3140.9168.300000109.6M1 A2 V3 M197 V198 V199 I218 L224M1-A204 PolarHBondContact O-N 3.48Å; A2-A204 CarbonylContact C-O 3.41Å; A2-A204 WeakPolarHBondContact CA-O 3.33Å; A2-A204 HydrophobicContact CB-CB 4.35Å; V3-A204 PolarHBondContact N-O 3.39Å; M197-A204 HydrophobicContact CE-CB 4.47Å; V198-A204 CarbonylContact O-C 3.5Å; V198-A204 WeakPolarHBondContact O-CA 3.43Å; V199-A204 HydrophobicContact CB-CB 4.18Å; V199-A204 HydrophobicContact CG2-CB 3.93Å; A204-I218 HydrophobicContact CB-CG2 4.13Å; A204-L224 HydrophobicContact CB-CD1 3.5Å
205F94.8Very high93.4Very high0 Ų028.5 Ų28.50%016%0.16CC..EExtended strand (participates in β ladder)trans-115.2130.3171.8-59.2-91000108.5V3 I13 L19 V37 F38 E41 L42 M197 V198 C203V3-F205 HydrophobicContact CB-CD1 4.11Å; V3-F205 HydrophobicContact CB-CE1 4.28Å; V3-F205 CarbonylContact O-C 3.03Å; V3-F205 WeakPolarHBondContact O-CA 3.47Å; I13-F205 HydrophobicContact CD1-CB 4.43Å; I13-F205 HydrophobicContact CG2-CB 4.46Å; L19-F205 HydrophobicContact CD2-CD2 3.86Å; L19-F205 HydrophobicContact CD2-CE2 3.89Å; V37-F205 HydrophobicContact CG1-CD1 3.88Å; V37-F205 HydrophobicContact CG1-CE1 3.86Å; F38-F205 HydrophobicContact CD1-CD1 4.35Å; F38-F205 HydrophobicContact CD1-CD2 4.08Å; F38-F205 HydrophobicContact CD1-CE1 4.19Å; F38-F205 AromaticContact CD1-CE2 3.92Å; F38-F205 HydrophobicContact CD1-CE2 3.92Å; F38-F205 HydrophobicContact CD1-CG 4.28Å; F38-F205 AromaticContact CD1-CZ 3.96Å; F38-F205 HydrophobicContact CD1-CZ 3.96Å; F38-F205 HydrophobicContact CE1-CB 4.25Å; F38-F205 HydrophobicContact CE1-CD1 4.14Å; F38-F205 AromaticContact CE1-CD2 3.65Å; F38-F205 HydrophobicContact CE1-CD2 3.65Å; F38-F205 HydrophobicContact CE1-CE1 4.43Å; F38-F205 AromaticContact CE1-CE2 3.97Å; F38-F205 HydrophobicContact CE1-CE2 3.97Å; F38-F205 AromaticContact CE1-CG 3.73Å; F38-F205 HydrophobicContact CE1-CG 3.73Å; F38-F205 HydrophobicContact CE1-CZ 4.34Å; F38-F205 HydrophobicContact CE2-CD1 4.41Å; F38-F205 HydrophobicContact CG-CE1 4.33Å; F38-F205 HydrophobicContact CG-CZ 4.42Å; F38-F205 HydrophobicContact CZ-CB 4.03Å; F38-F205 HydrophobicContact CZ-CD1 4.18Å; F38-F205 HydrophobicContact CZ-CD2 4.26Å; F38-F205 AromaticContact CZ-CG 3.89Å; F38-F205 HydrophobicContact CZ-CG 3.89Å; E41-F205 HydrophobicContact CB-CE1 4.38Å; E41-F205 HydrophobicContact CB-CZ 3.97Å; E41-F205 HydrophobicContact CG-CE1 4.31Å; E41-F205 HydrophobicContact CG-CZ 4.36Å; L42-F205 HydrophobicContact CD1-CE2 3.81Å; L42-F205 HydrophobicContact CD1-CZ 3.92Å; L42-F205 HydrophobicContact CD2-CE2 4.24Å; L42-F205 HydrophobicContact CD2-CZ 4.36Å; L42-F205 HydrophobicContact CG-CE2 4.14Å; L42-F205 HydrophobicContact CG-CZ 3.95Å; M197-F205 CarbonylContact C-O 3.51Å; M197-F205 WeakPolarHBondContact CA-O 3.47Å; M197-F205 VanDerWaalsContact CB-O 3.31Å; M197-F205 WeakPolarHBondContact CB-O 3.17Å; V198-F205 HydrophobicContact CG2-CB 3.83Å; V198-F205 HydrophobicContact CG2-CD2 4.1Å; V198-F205 HydrophobicContact CG2-CG 4.41Å; V198-F205 PolarHBondContact N-O 3.15Å; V198-F205 PolarHBondContact O-N 3.43Å; C203-F205 HydrophobicContact CB-CE2 4.32Å
206C94.9Very high93.4Very high1 Ų132.1 Ų32.11%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-133.6156.8-178.563.30000110.7V3 R4 A5 I13 G196 M197 T210 L215V3-C206 PolarHBondContact O-N 3.29Å; V3-C206 PolarHBondContact O-SG 3.08Å; V3-C206 VanDerWaalsContact O-SG 3.37Å; R4-C206 CarbonylContact C-O 3.53Å; R4-C206 VanDerWaalsContact CA-O 3.24Å; R4-C206 WeakPolarHBondContact CA-O 3.03Å; A5-C206 PolarHBondContact N-O 3.28Å; I13-C206 WeakPolarHBondContact CD1-O 3.33Å; G196-C206 CarbonylContact O-C 3.29Å; G196-C206 WeakPolarHBondContact O-CA 3.47Å; M197-C206 HydrophobicContact CB-CB 4.18Å; C206-T210 HydrophobicContact CB-CG2 4.34Å; C206-L215 WeakPolarHBondContact SG-CD2 3.39Å
207G94.6Very high93.4Very high0 Ų035 Ų350%020%0.202CC..EExtended strand (participates in β ladder)trans-63.1154.7179.600000113.5A5 N11 N187 G196 D209 T210A5-G207 CarbonylContact O-C 3.54Å; A5-G207 WeakPolarHBondContact O-CA 3.44Å; N11-G207 WeakPolarHBondContact O-CA 3.27Å; N187-G207 WeakPolarHBondContact OD1-CA 3.49Å; N187-G207 PolarHBondContact OD1-N 3.07Å; N187-G207 PolarHBondContact OD1-O 3.37Å; G196-G207 PolarHBondContact O-N 3.01Å; G207-D209 PolarHBondContact O-N 3.01Å; G207-D209 VanDerWaalsContact O-N 3.15Å; G207-T210 VanDerWaalsContact O-CB 3.27Å; G207-T210 WeakPolarHBondContact O-CB 3.43Å; G207-T210 PolarHBondContact O-N 3.41Å; G207-T210 PolarHBondContact O-OG1 3.19Å
208L93.9Very high93.3Very high94 Ų9435 Ų3549%0.49220%0.202SC..THydrogen-bonded Turntrans-55.3-33.2-177.2-76.6175.3000113.8R4 A5 N11 T210R4-L208 HydrophobicContact CB-CD2 4Å; A5-L208 PolarHBondContact O-N 3.27Å; N11-L208 PolarHBondContact OD1-N 2.89Å; L208-T210 PolarHBondContact O-N 3.06Å
209D95.1Very high93.2Very high91 Ų9136.6 Ų36.649%0.48721%0.209SC..THydrogen-bonded Turntrans-76.2-6.2-178.7-73.4-9.9000113.5N11 N187 R188 G207 T211N11-D209 PolarHBondContact ND2-OD1 2.9Å; N11-D209 PolarHBondContact ND2-OD2 3.22Å; N187-D209 HydrophobicContact CB-CB 4.41Å; R188-D209 PolarHBondContact N-O 2.9Å; G207-D209 PolarHBondContact O-N 3.01Å; G207-D209 VanDerWaalsContact O-N 3.15Å; D209-T211 PolarHBondContact O-N 3.33Å; D209-T211 VanDerWaalsContact O-N 3.16Å
210T94.8Very high93Very high1 Ų140.2 Ų40.21%0.00624%0.235CC..  trans-62.7119.3178.8-56.30000110R4 N187 C206 G207 L208 E214 L215 I218R4-T210 PolarHBondContact NE-O 2.95Å; R4-T210 PolarHBondContact NH2-O 3.36Å; N187-T210 PolarHBondContact N-OG1 3.45Å; N187-T210 PolarHBondContact OD1-OG1 3.12Å; N187-T210 VanDerWaalsContact OD1-OG1 3.08Å; C206-T210 HydrophobicContact CB-CG2 4.34Å; G207-T210 VanDerWaalsContact O-CB 3.27Å; G207-T210 WeakPolarHBondContact O-CB 3.43Å; G207-T210 PolarHBondContact O-N 3.41Å; G207-T210 PolarHBondContact O-OG1 3.19Å; L208-T210 PolarHBondContact O-N 3.06Å; T210-E214 HydrophobicContact CG2-CB 3.65Å; T210-L215 HydrophobicContact CG2-CD2 4.08Å; T210-L215 HydrophobicContact CG2-CG 4.1Å; T210-I218 HydrophobicContact CG2-CD1 4.21Å
211T94.8Very high93Very high44 Ų4440.5 Ų40.527%0.2724%0.237SC..  trans-69.5157.5-174.761.30000111.2R188 D209 T213 E214 L215R188-T211 HydrophobicContact CB-CG2 4.23Å; R188-T211 HydrophobicContact CG-CG2 4.11Å; D209-T211 PolarHBondContact O-N 3.33Å; D209-T211 VanDerWaalsContact O-N 3.16Å; T211-T213 PolarHBondContact O-N 3.35Å; T211-T213 PolarHBondContact OG1-OG1 2.96Å; T211-E214 PolarHBondContact N-OE2 2.92Å; T211-E214 PolarHBondContact O-N 3.37Å; T211-E214 VanDerWaalsContact O-N 3.17Å; T211-E214 WeakPolarHBondContact OG1-CB 3.5Å; T211-E214 VanDerWaalsContact OG1-CD 3.26Å; T211-E214 WeakPolarHBondContact OG1-CG 3.41Å; T211-E214 PolarHBondContact OG1-N 2.92Å; T211-E214 PolarHBondContact OG1-OE2 2.96Å; T211-L215 PolarHBondContact O-N 3.47Å
212S91.9Very high93.1Very high83 Ų8339 Ų3958%0.5823%0.229SC*.Hα-helixtrans-62.2-29.3178.4-55.40000112.6S216S212-S216 PolarHBondContact O-N 2.9Å; S212-S216 PolarHBondContact O-OG 2.64Å
213T92.7Very high93.1Very high105 Ų10541.4 Ų41.464%0.64424%0.238SC*.Hα-helixtrans-68.7-43.1174.143.70000112.1T211 L215 S216 V217T211-T213 PolarHBondContact O-N 3.35Å; T211-T213 PolarHBondContact OG1-OG1 2.96Å; T213-L215 VanDerWaalsContact C-N 3.35Å; T213-S216 PolarHBondContact O-N 3.28Å; T213-V217 WeakPolarHBondContact O-CG2 3.42Å; T213-V217 PolarHBondContact O-N 2.8Å
214E94.4Very high92.8Very high16 Ų1641 Ų418%0.07524%0.235CC..Hα-helixtrans-64-41.9174.6-71.3165.7145.200110.7T185 R188 G189 T210 T211 S216 V217 I218T185-E214 WeakPolarHBondContact CB-OE1 3.32Å; T185-E214 WeakPolarHBondContact O-CG 3.15Å; T185-E214 PolarHBondContact OG1-OE1 2.93Å; R188-E214 PolarHBondContact N-OE1 2.83Å; R188-E214 PolarHBondContact N-OE2 3.41Å; R188-E214 VanDerWaalsContact N-OE2 3.1Å; G189-E214 PolarHBondContact N-OE1 3.41Å; T210-E214 HydrophobicContact CG2-CB 3.65Å; T211-E214 PolarHBondContact N-OE2 2.92Å; T211-E214 PolarHBondContact O-N 3.37Å; T211-E214 VanDerWaalsContact O-N 3.17Å; T211-E214 WeakPolarHBondContact OG1-CB 3.5Å; T211-E214 VanDerWaalsContact OG1-CD 3.26Å; T211-E214 WeakPolarHBondContact OG1-CG 3.41Å; T211-E214 PolarHBondContact OG1-N 2.92Å; T211-E214 PolarHBondContact OG1-OE2 2.96Å; E214-S216 PolarHBondContact O-N 3.34Å; E214-V217 PolarHBondContact O-N 2.71Å; E214-I218 WeakPolarHBondContact O-CD1 3.32Å; E214-I218 VanDerWaalsContact O-CG1 3.32Å; E214-I218 WeakPolarHBondContact O-CG1 3.31Å; E214-I218 PolarHBondContact O-N 3.5Å
215L92.8Very high91.6Very high18 Ų1844.2 Ų44.29%0.09426%0.257CS..Hα-helixtrans-58.5-46.7175-80.7-173.1000112.8A2 R4 C206 T210 T211 T213 V217 I218 E219A2-L215 HydrophobicContact CB-CD2 3.69Å; R4-L215 HydrophobicContact CG-CD1 4.32Å; R4-L215 VanDerWaalsContact NH2-CD1 3.25Å; C206-L215 WeakPolarHBondContact SG-CD2 3.39Å; T210-L215 HydrophobicContact CG2-CD2 4.08Å; T210-L215 HydrophobicContact CG2-CG 4.1Å; T211-L215 PolarHBondContact O-N 3.47Å; T213-L215 VanDerWaalsContact C-N 3.35Å; L215-V217 PolarHBondContact O-N 2.91Å; L215-I218 WeakPolarHBondContact O-CB 3.32Å; L215-I218 PolarHBondContact O-N 3.45Å; L215-I218 VanDerWaalsContact O-N 3.14Å; L215-E219 WeakPolarHBondContact O-CG 3.5Å; L215-E219 PolarHBondContact O-N 3.45Å
216S92.1Very high89.8Confident75 Ų7550.3 Ų50.352%0.52429%0.286SS..Hα-helixtrans-60.4-35.5178.4-61.50000112.5S212 T213 E214 S220S212-S216 PolarHBondContact O-N 2.9Å; S212-S216 PolarHBondContact O-OG 2.64Å; T213-S216 PolarHBondContact O-N 3.28Å; E214-S216 PolarHBondContact O-N 3.34Å; S216-S220 VanDerWaalsContact O-CB 3.27Å; S216-S220 WeakPolarHBondContact O-CB 3.05Å; S216-S220 PolarHBondContact O-N 3.05Å; S216-S220 VanDerWaalsContact O-N 3.16Å
217V92.9Very high87.8Confident61 Ų6151.9 Ų51.937%0.3730%0.299SS..Hα-helixtrans-67.7-45.2175.4174.10000110.5L160 V182 T213 E214 L215 S220 V221L160-V217 HydrophobicContact CD1-CG1 4.44Å; V182-V217 HydrophobicContact CG1-CG1 4.04Å; T213-V217 WeakPolarHBondContact O-CG2 3.42Å; T213-V217 PolarHBondContact O-N 2.8Å; E214-V217 PolarHBondContact O-N 2.71Å; L215-V217 PolarHBondContact O-N 2.91Å; V217-S220 PolarHBondContact O-N 3.38Å; V217-V221 WeakPolarHBondContact O-CG1 3.31Å; V217-V221 PolarHBondContact O-N 3.29Å
218I93.1Very high85.7Confident1 Ų154.1 Ų54.11%0.00532%0.318CS..Hα-helixtrans-59.6-50.2177.3-71.3161.7000110.8A2 L160 V186 M197 A204 T210 E214 L215 S220 V221 F222 L224A2-I218 HydrophobicContact CB-CG2 4.32Å; L160-I218 HydrophobicContact CD2-CG1 4.19Å; V186-I218 HydrophobicContact CG1-CD1 4.26Å; M197-I218 HydrophobicContact CE-CB 4.23Å; M197-I218 HydrophobicContact CE-CD1 3.57Å; M197-I218 HydrophobicContact CE-CG1 3.71Å; M197-I218 HydrophobicContact CE-CG2 3.48Å; M197-I218 VanDerWaalsContact CE-CG2 3.48Å; M197-I218 HydrophobicContact SD-CD1 4.16Å; M197-I218 HydrophobicContact SD-CG1 4.34Å; A204-I218 HydrophobicContact CB-CG2 4.13Å; T210-I218 HydrophobicContact CG2-CD1 4.21Å; E214-I218 WeakPolarHBondContact O-CD1 3.32Å; E214-I218 VanDerWaalsContact O-CG1 3.32Å; E214-I218 WeakPolarHBondContact O-CG1 3.31Å; E214-I218 PolarHBondContact O-N 3.5Å; L215-I218 WeakPolarHBondContact O-CB 3.32Å; L215-I218 PolarHBondContact O-N 3.45Å; L215-I218 VanDerWaalsContact O-N 3.14Å; I218-S220 VanDerWaalsContact C-N 3.25Å; I218-S220 PolarHBondContact O-N 3.49Å; I218-V221 PolarHBondContact O-N 2.97Å; I218-F222 HydrophobicContact CG2-CD2 3.92Å; I218-F222 HydrophobicContact CG2-CE2 4.34Å; I218-F222 WeakPolarHBondContact O-CB 3.42Å; I218-F222 VanDerWaalsContact O-CD2 3.27Å; I218-F222 WeakPolarHBondContact O-CD2 3.23Å; I218-F222 PolarHBondContact O-N 2.91Å; I218-F222 VanDerWaalsContact O-N 3.09Å; I218-L224 HydrophobicContact CG2-CD1 4.49Å
219E91.9Very high83.4Confident49 Ų4956 Ų5623%0.22932%0.324CS..Hα-helixtrans-63.2-34.6-179-70.1-173.3147.600112.5A2 L215 R223 L224A2-E219 HydrophobicContact CB-CG 3.57Å; A2-E219 PolarHBondContact N-OE1 2.76Å; L215-E219 WeakPolarHBondContact O-CG 3.5Å; L215-E219 PolarHBondContact O-N 3.45Å; E219-R223 WeakPolarHBondContact O-CA 3.4Å; E219-R223 PolarHBondContact O-N 2.81Å; E219-L224 HydrophobicContact CG-CD1 4.41Å; E219-L224 PolarHBondContact O-N 3.05Å; E219-L224 VanDerWaalsContact O-N 3.1Å
220S91.4Very high81Confident91 Ų9154.6 Ų54.664%0.63633%0.325SS*.Hα-helixtrans-70.5-51.8176.6-176.40000112.3S216 V217 I218 F222 R223S216-S220 VanDerWaalsContact O-CB 3.27Å; S216-S220 WeakPolarHBondContact O-CB 3.05Å; S216-S220 PolarHBondContact O-N 3.05Å; S216-S220 VanDerWaalsContact O-N 3.16Å; V217-S220 PolarHBondContact O-N 3.38Å; I218-S220 VanDerWaalsContact C-N 3.25Å; I218-S220 PolarHBondContact O-N 3.49Å; S220-F222 VanDerWaalsContact C-N 3.35Å; S220-F222 PolarHBondContact O-N 3.38Å; S220-R223 PolarHBondContact O-N 2.96Å
221V92.6Very high79.1Confident10 Ų1058 Ų586%0.06135%0.349CS..Hα-helixtrans-66.7-37.2-175740000112.1G159 V182 V217 I218G159-V221 WeakPolarHBondContact O-CG2 3.32Å; V182-V221 HydrophobicContact CB-CG2 4Å; V182-V221 HydrophobicContact CG2-CB 4.22Å; V182-V221 HydrophobicContact CG2-CG2 3.64Å; V217-V221 WeakPolarHBondContact O-CG1 3.31Å; V217-V221 PolarHBondContact O-N 3.29Å; I218-V221 PolarHBondContact O-N 2.97Å
222F92.3Very high77.1Confident0 Ų058.8 Ų58.80%036%0.36CS..THydrogen-bonded Turntrans-90.32178.9-66.8-71.9000113.7S155 G158 L160 M197 V199 I218 S220 L224S155-F222 WeakPolarHBondContact OG-CD1 3.38Å; G158-F222 WeakPolarHBondContact O-CD1 3.28Å; G158-F222 WeakPolarHBondContact O-CE1 3.08Å; L160-F222 HydrophobicContact CB-CE2 4.17Å; L160-F222 HydrophobicContact CB-CZ 4.18Å; M197-F222 HydrophobicContact CE-CE2 4.16Å; V199-F222 HydrophobicContact CB-CE1 4.31Å; V199-F222 HydrophobicContact CB-CZ 4.37Å; V199-F222 HydrophobicContact CG1-CD1 4.25Å; V199-F222 HydrophobicContact CG1-CE1 3.63Å; V199-F222 HydrophobicContact CG1-CE2 4.42Å; V199-F222 HydrophobicContact CG1-CZ 3.74Å; V199-F222 HydrophobicContact CG2-CB 4.2Å; V199-F222 HydrophobicContact CG2-CD1 3.6Å; V199-F222 HydrophobicContact CG2-CD2 4.02Å; V199-F222 HydrophobicContact CG2-CE1 3.86Å; V199-F222 HydrophobicContact CG2-CE2 4.29Å; V199-F222 HydrophobicContact CG2-CG 3.68Å; V199-F222 HydrophobicContact CG2-CZ 4.21Å; I218-F222 HydrophobicContact CG2-CD2 3.92Å; I218-F222 HydrophobicContact CG2-CE2 4.34Å; I218-F222 WeakPolarHBondContact O-CB 3.42Å; I218-F222 VanDerWaalsContact O-CD2 3.27Å; I218-F222 WeakPolarHBondContact O-CD2 3.23Å; I218-F222 PolarHBondContact O-N 2.91Å; I218-F222 VanDerWaalsContact O-N 3.09Å; S220-F222 VanDerWaalsContact C-N 3.35Å; S220-F222 PolarHBondContact O-N 3.38Å; F222-L224 HydrophobicContact CB-CD1 4.25Å; F222-L224 HydrophobicContact CB-CD2 3.89Å; F222-L224 HydrophobicContact CB-CG 3.78Å; F222-L224 PolarHBondContact O-N 2.89Å
223R89.4Confident75.4Confident122 Ų12259.3 Ų59.346%0.4636%0.355SS..THydrogen-bonded Turntrans52.834.9178.8-56.2-174.1-179.2-176.81.3114.7E219 S220 S225 E226E219-R223 WeakPolarHBondContact O-CA 3.4Å; E219-R223 PolarHBondContact O-N 2.81Å; S220-R223 PolarHBondContact O-N 2.96Å; R223-S225 PolarHBondContact O-N 2.82Å; R223-E226 PolarHBondContact O-N 3.44Å
224L84.7Confident73.6Confident0 Ų056.4 Ų56.40%034%0.342CS..Hα-helixtrans-68.5-23.6-173.5-56.6176.8000113A2 A204 I218 E219 F222 A228A2-L224 HydrophobicContact CB-CD1 4.32Å; A204-L224 HydrophobicContact CB-CD1 3.5Å; I218-L224 HydrophobicContact CG2-CD1 4.49Å; E219-L224 HydrophobicContact CG-CD1 4.41Å; E219-L224 PolarHBondContact O-N 3.05Å; E219-L224 VanDerWaalsContact O-N 3.1Å; F222-L224 HydrophobicContact CB-CD1 4.25Å; F222-L224 HydrophobicContact CB-CD2 3.89Å; F222-L224 HydrophobicContact CB-CG 3.78Å; F222-L224 PolarHBondContact O-N 2.89Å; L224-A228 PolarHBondContact O-N 3.42Å
225S67.6Low72Confident66 Ų6658.9 Ų58.946%0.46236%0.358SS..Hα-helixtrans-74.1-32.7-179.5-55.50000113R223 Q229R223-S225 PolarHBondContact O-N 2.82Å; S225-Q229 PolarHBondContact O-N 2.95Å
226E57.4Low70.4Confident128 Ų12860.8 Ų60.860%0.59837%0.373SS*.Hα-helixtrans-74.6-38.4179.1-67-177.4166.500111.2R223 A228 Q229 A230R223-E226 PolarHBondContact O-N 3.44Å; E226-A228 PolarHBondContact O-N 2.93Å; E226-Q229 PolarHBondContact O-N 2.94Å; E226-A230 PolarHBondContact O-N 3.24Å
227A53.4Low68.9Low34 Ų3462.7 Ų62.728%0.28138%0.375SS..Hα-helixtrans-64.1-38.9175.500000112.4W202 A230 S231W202-A227 HydrophobicContact CB-CB 4.14Å; A227-A230 PolarHBondContact O-N 3.42Å; A227-S231 PolarHBondContact O-N 2.86Å
228A50Low67.2Low48 Ų4868.2 Ų68.240%0.39739%0.389SS..Hα-helixtrans-65.1-38.9175.800000112.5L224 E226 A232L224-A228 PolarHBondContact O-N 3.42Å; E226-A228 PolarHBondContact O-N 2.93Å; A228-A232 WeakPolarHBondContact O-CB 3.36Å; A228-A232 PolarHBondContact O-N 3.19Å; A228-A232 VanDerWaalsContact O-N 3.11Å
229Q45.3Very low66Low132 Ų13272.9 Ų72.962%0.61741%0.414SS*.Hα-helixtrans-67.1-42.3174.2-80.7-179.9-2500112.1S225 E226 S231 A232 I233S225-Q229 PolarHBondContact O-N 2.95Å; E226-Q229 PolarHBondContact O-N 2.94Å; Q229-S231 PolarHBondContact O-N 3.25Å; Q229-A232 PolarHBondContact O-N 2.85Å; Q229-I233 WeakPolarHBondContact O-CB 3.22Å; Q229-I233 VanDerWaalsContact O-CD1 3.3Å; Q229-I233 WeakPolarHBondContact O-CD1 3.23Å; Q229-I233 WeakPolarHBondContact O-CG1 3.37Å; Q229-I233 PolarHBondContact O-N 3.13Å
230A45.8Very low64.9Low62 Ų6274.4 Ų74.451%0.51243%0.43SS..Hα-helixtrans-63.1-40.5178.400000112.7E226 A227 A234E226-A230 PolarHBondContact O-N 3.24Å; A227-A230 PolarHBondContact O-N 3.42Å; A230-A234 WeakPolarHBondContact O-CB 3.41Å; A230-A234 PolarHBondContact O-N 3.05Å
231S54.4Low63.6Low73 Ų7375.3 Ų75.351%0.5143%0.427SS..Hα-helixtrans-65-47.7175.5-1780000112.2A227 Q229 I233 A234 T235A227-S231 PolarHBondContact O-N 2.86Å; Q229-S231 PolarHBondContact O-N 3.25Å; S231-I233 VanDerWaalsContact C-N 3.3Å; S231-I233 PolarHBondContact O-N 2.99Å; S231-A234 PolarHBondContact O-N 3.14Å; S231-T235 PolarHBondContact O-N 2.78Å; S231-T235 PolarHBondContact O-OG1 3.45Å; S231-T235 VanDerWaalsContact O-OG1 3.08Å
232A52.3Low62.6Low61 Ų6180.2 Ų80.250%0.50445%0.452SS..Hα-helixtrans-62.8-35.817800000112.9A228 Q229 S236A228-A232 WeakPolarHBondContact O-CB 3.36Å; A228-A232 PolarHBondContact O-N 3.19Å; A228-A232 VanDerWaalsContact O-N 3.11Å; Q229-A232 PolarHBondContact O-N 2.85Å; A232-S236 WeakPolarHBondContact O-CB 3.44Å; A232-S236 PolarHBondContact O-N 3.45Å; A232-S236 PolarHBondContact O-OG 3.47Å
233I56Low61.3Low94 Ų9486.4 Ų86.448%0.48249%0.485SS..Hα-helixtrans-69.7-41.3175.3-66.4163.7000110.6Q229 S231 T235 S236 M237Q229-I233 WeakPolarHBondContact O-CB 3.22Å; Q229-I233 VanDerWaalsContact O-CD1 3.3Å; Q229-I233 WeakPolarHBondContact O-CD1 3.23Å; Q229-I233 WeakPolarHBondContact O-CG1 3.37Å; Q229-I233 PolarHBondContact O-N 3.13Å; S231-I233 VanDerWaalsContact C-N 3.3Å; S231-I233 PolarHBondContact O-N 2.99Å; I233-T235 PolarHBondContact O-N 3.34Å; I233-S236 WeakPolarHBondContact CA-OG 3.42Å; I233-S236 PolarHBondContact O-N 3.24Å; I233-S236 PolarHBondContact O-OG 2.94Å; I233-M237 HydrophobicContact CG2-CE 4.25Å; I233-M237 HydrophobicContact CG2-CG 4.45Å; I233-M237 WeakPolarHBondContact O-CB 3.43Å; I233-M237 WeakPolarHBondContact O-CG 3.44Å; I233-M237 PolarHBondContact O-N 3.44Å
234A56Low60Low43 Ų4384.7 Ų84.736%0.35549%0.492SS..Hα-helixtrans-64.3-40.2177.100000112.6A230 S231 R238A230-A234 WeakPolarHBondContact O-CB 3.41Å; A230-A234 PolarHBondContact O-N 3.05Å; S231-A234 PolarHBondContact O-N 3.14Å; A234-R238 PolarHBondContact O-N 3.18Å
235T60Low58.5Low68 Ų6892.8 Ų92.842%0.41753%0.532SS..Hα-helixtrans-67.2-47.4176.6-540000111.3S231 I233 M237 R238 D239S231-T235 PolarHBondContact O-N 2.78Å; S231-T235 PolarHBondContact O-OG1 3.45Å; S231-T235 VanDerWaalsContact O-OG1 3.08Å; I233-T235 PolarHBondContact O-N 3.34Å; T235-M237 VanDerWaalsContact C-N 3.33Å; T235-M237 PolarHBondContact O-N 2.78Å; T235-R238 PolarHBondContact O-N 2.88Å; T235-R238 VanDerWaalsContact O-N 3.13Å; T235-D239 PolarHBondContact O-N 2.89Å
236S60.2Low57.6Low58 Ų5896.3 Ų96.341%0.40657%0.565SS.*Hα-helixtrans-63.6-35.2177.259.10000113.4A232 I233 S240A232-S236 WeakPolarHBondContact O-CB 3.44Å; A232-S236 PolarHBondContact O-N 3.45Å; A232-S236 PolarHBondContact O-OG 3.47Å; I233-S236 WeakPolarHBondContact CA-OG 3.42Å; I233-S236 PolarHBondContact O-N 3.24Å; I233-S236 PolarHBondContact O-OG 2.94Å; S236-S240 WeakPolarHBondContact O-CB 3.33Å; S236-S240 PolarHBondContact O-N 3.39Å; S236-S240 PolarHBondContact O-OG 2.64Å
237M59.3Low57.6Low116 Ų11694.8 Ų94.857%0.57156%0.563SS**Hα-helixtrans-68.7-36.3173.1-74.8-154.6-63.800112.8I233 T235 L241I233-M237 HydrophobicContact CG2-CE 4.25Å; I233-M237 HydrophobicContact CG2-CG 4.45Å; I233-M237 WeakPolarHBondContact O-CB 3.43Å; I233-M237 WeakPolarHBondContact O-CG 3.44Å; I233-M237 PolarHBondContact O-N 3.44Å; T235-M237 VanDerWaalsContact C-N 3.33Å; T235-M237 PolarHBondContact O-N 2.78Å; M237-L241 WeakPolarHBondContact O-CB 3.49Å; M237-L241 WeakPolarHBondContact O-CD1 3.4Å; M237-L241 WeakPolarHBondContact O-CG 3.37Å; M237-L241 PolarHBondContact O-N 2.68Å
238R58.7Low57.8Low176 Ų17697.9 Ų97.966%0.66458%0.578SS**Hα-helixtrans-64.9-46.6173.6-83.9-175.6-178.4145.50.7111.8A234 T235 S240 L241 I242A234-R238 PolarHBondContact O-N 3.18Å; T235-R238 PolarHBondContact O-N 2.88Å; T235-R238 VanDerWaalsContact O-N 3.13Å; R238-S240 VanDerWaalsContact C-N 3.29Å; R238-S240 PolarHBondContact O-N 2.81Å; R238-L241 PolarHBondContact O-N 2.88Å; R238-I242 VanDerWaalsContact O-CG1 3.3Å; R238-I242 WeakPolarHBondContact O-CG1 3.37Å; R238-I242 PolarHBondContact O-N 3.2Å
239D68.2Low58.2Low99 Ų99100.7 Ų100.753%0.52959%0.588SS.*Hα-helixtrans-61.8-40.7178.8-68.3-19.7000111.1T235 L241 I242 D243T235-D239 PolarHBondContact O-N 2.89Å; D239-L241 PolarHBondContact O-N 3.15Å; D239-I242 PolarHBondContact O-N 3.16Å; D239-D243 PolarHBondContact O-N 3.45Å; D239-D243 VanDerWaalsContact O-N 3.07Å
240S67.9Low59Low81 Ų8198.9 Ų98.957%0.56659%0.586SS**Hα-helixtrans-65.4-35.4176.1-56.10000113.2S236 R238 S244S236-S240 WeakPolarHBondContact O-CB 3.33Å; S236-S240 PolarHBondContact O-N 3.39Å; S236-S240 PolarHBondContact O-OG 2.64Å; R238-S240 VanDerWaalsContact C-N 3.29Å; R238-S240 PolarHBondContact O-N 2.81Å; S240-S244 PolarHBondContact O-N 3.28Å
241L64.3Low59.8Low110 Ų110101.2 Ų101.258%0.57659%0.591SS**Hα-helixtrans-71.2-39.7176.4-78.7162.9000111.7M237 R238 D239 S244 M245M237-L241 WeakPolarHBondContact O-CB 3.49Å; M237-L241 WeakPolarHBondContact O-CD1 3.4Å; M237-L241 WeakPolarHBondContact O-CG 3.37Å; M237-L241 PolarHBondContact O-N 2.68Å; R238-L241 PolarHBondContact O-N 2.88Å; D239-L241 PolarHBondContact O-N 3.15Å; L241-S244 PolarHBondContact O-N 3.27Å; L241-S244 PolarHBondContact O-OG 2.79Å; L241-M245 WeakPolarHBondContact O-CG 3.42Å; L241-M245 PolarHBondContact O-N 3.15Å
242I70.9Confident60.2Low114 Ų114103.1 Ų103.159%0.58560%0.596SS**Hα-helixtrans-64.9-41.7178.2-66.7164.4000110.7R238 D239 S244 M245 A246R238-I242 VanDerWaalsContact O-CG1 3.3Å; R238-I242 WeakPolarHBondContact O-CG1 3.37Å; R238-I242 PolarHBondContact O-N 3.2Å; D239-I242 PolarHBondContact O-N 3.16Å; I242-S244 VanDerWaalsContact C-N 3.27Å; I242-S244 PolarHBondContact O-N 2.9Å; I242-M245 PolarHBondContact O-N 2.95Å; I242-A246 PolarHBondContact O-N 3.27Å
243D65.5Low60.8Low130 Ų130106.1 Ų106.170%0.69560%0.603SS**Hα-helixtrans-67.2-27.5177.7-158.236.4000112.6D239 M245D239-D243 PolarHBondContact O-N 3.45Å; D239-D243 VanDerWaalsContact O-N 3.07Å; D243-M245 VanDerWaalsContact C-N 3.34Å
244S62.5Low61.1Low86 Ų86107 Ų10760%0.60161%0.612SS**THydrogen-bonded Turntrans-79.4-11.7175.874.20000114.9S240 L241 I242S240-S244 PolarHBondContact O-N 3.28Å; L241-S244 PolarHBondContact O-N 3.27Å; L241-S244 PolarHBondContact O-OG 2.79Å; I242-S244 VanDerWaalsContact C-N 3.27Å; I242-S244 PolarHBondContact O-N 2.9Å
245M53.5Low61.6Low170 Ų170112.3 Ų112.384%0.83763%0.634SS**THydrogen-bonded Turntrans-106-1.7-179.6-65.2-172.2105.700113.4L241 I242 D243L241-M245 WeakPolarHBondContact O-CG 3.42Å; L241-M245 PolarHBondContact O-N 3.15Å; I242-M245 PolarHBondContact O-N 2.95Å; D243-M245 VanDerWaalsContact C-N 3.34Å
246A47.8Very low61.7Low140 Ų140116.4 Ų116.4100%1.15765%0.654SS**  trans-93.60172.100000111.3I242I242-A246 PolarHBondContact O-N 3.27Å

Retrieved 246 of 246 residues in 413.4 ms (Link to these results)

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