A0A3Q0KV00_SCHMA 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 A0A3Q0KV00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene EIF6, Length 245 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
1M74Confident83.1Confident148 Ų14849.8 Ų49.873%0.72928%0.275SS*.  0147.80-174.4177.2-79.100108E219 L224M1-E219 WeakPolarHBondContact CA-OE1 3.49Å; M1-E219 VanDerWaalsContact CG-OE1 3.29Å; M1-E219 WeakPolarHBondContact CG-OE1 3.25Å; M1-L224 PolarHBondContact N-O 2.68Å
2A79.5Confident83.7Confident8 Ų850.5 Ų50.57%0.06628%0.278CS..EExtended strand (participates in β ladder)trans-90.5113.8173.100000111G204 I215 I218 E219 L224A2-G204 CarbonylContact C-O 3.51Å; A2-G204 VanDerWaalsContact CA-O 3.24Å; A2-G204 WeakPolarHBondContact CA-O 3.26Å; A2-I215 HydrophobicContact CB-CG2 4.26Å; A2-I218 HydrophobicContact CB-CG2 4.38Å; A2-E219 HydrophobicContact CB-CG 3.88Å; A2-E219 PolarHBondContact N-OE1 3.23Å; A2-L224 HydrophobicContact CB-CD1 4.04Å
3S85.9Confident84.2Confident21 Ų2146.8 Ų46.815%0.14726%0.257CS..EExtended strand (participates in β ladder)trans-86.6135.5-177.6-67.30000110.9E41 G204 F205 C206S3-E41 PolarHBondContact OG-OE2 3.23Å; S3-G204 PolarHBondContact N-O 3.17Å; S3-F205 CarbonylContact O-C 3.58Å; S3-F205 VanDerWaalsContact O-CA 3.32Å; S3-F205 WeakPolarHBondContact O-CA 3.24Å; S3-C206 PolarHBondContact O-N 3.33Å
4R88.2Confident84.7Confident120 Ų12043.9 Ų43.945%0.45324%0.244SC..EExtended strand (participates in β ladder)trans-84128.9177.2-74.4179.8177.31241.3110C206 T210 S212 I215R4-C206 CarbonylContact C-O 3.6Å; R4-C206 WeakPolarHBondContact CA-O 3.39Å; R4-T210 PolarHBondContact NE-O 3.37Å; R4-T210 PolarHBondContact NH2-O 3.47Å; R4-T210 VanDerWaalsContact NH2-O 3.08Å; R4-S212 PolarHBondContact NH2-OG 2.96Å; R4-S212 VanDerWaalsContact NH2-OG 3.09Å; R4-I215 HydrophobicContact CG-CD1 3.81Å; R4-I215 VanDerWaalsContact CZ-CD1 3.43Å; R4-I215 VanDerWaalsContact NE-CD1 3.27Å
5T87Confident85.2Confident9 Ų941.3 Ų41.36%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-141.4169.1176.5-169.80000112.5I13 F38 F205 C206 G207 Q208T5-I13 HydrophobicContact CG2-CB 4.3Å; T5-I13 HydrophobicContact CG2-CD1 3.83Å; T5-I13 HydrophobicContact CG2-CG2 3.69Å; T5-F38 HydrophobicContact CG2-CZ 4.33Å; T5-F205 HydrophobicContact CG2-CB 4.2Å; T5-F205 HydrophobicContact CG2-CD1 4.34Å; T5-C206 PolarHBondContact N-O 2.86Å; T5-G207 CarbonylContact O-C 3.37Å; T5-G207 WeakPolarHBondContact O-CA 3.37Å; T5-Q208 PolarHBondContact O-N 3.23Å
6H85.2Confident85.6Confident66 Ų6640.9 Ų40.931%0.30623%0.225SC..  trans-135.9154173.368.457.3000109.5A10 S34 Q208H6-A10 WeakPolarHBondContact CA-O 3.48Å; H6-S34 VanDerWaalsContact O-CB 3.29Å; H6-S34 WeakPolarHBondContact O-CB 3.37Å; H6-S34 PolarHBondContact O-OG 3.19Å; H6-Q208 HydrophobicContact CB-CB 4.23Å; H6-Q208 PolarHBondContact CD2-OE1 3.2Å
7F79Confident86Confident7 Ų738.8 Ų38.83%0.03121%0.213CC..BIsolated β-bridgetrans-115.3112.6170.5-172-89.5000109.2G9 A10 F16F7-G9 PolarHBondContact O-N 3.22Å; F7-G9 VanDerWaalsContact O-N 3.07Å; F7-A10 PolarHBondContact N-O 3.19Å; F7-A10 WeakPolarHBondContact O-CA 3.43Å; F7-A10 WeakPolarHBondContact O-CB 3.17Å; F7-A10 PolarHBondContact O-N 3.17Å; F7-F16 HydrophobicContact CB-CB 4.44Å; F7-F16 HydrophobicContact CB-CD2 3.68Å; F7-F16 HydrophobicContact CB-CE2 4.28Å; F7-F16 HydrophobicContact CB-CG 4.26Å; F7-F16 HydrophobicContact CD1-CB 3.87Å; F7-F16 AromaticContact CD1-CD1 3.71Å; F7-F16 HydrophobicContact CD1-CD1 3.71Å; F7-F16 AromaticContact CD1-CD2 3.37Å; F7-F16 HydrophobicContact CD1-CD2 3.37Å; F7-F16 HydrophobicContact CD1-CE1 4.06Å; F7-F16 AromaticContact CD1-CE2 3.74Å; F7-F16 HydrophobicContact CD1-CE2 3.74Å; F7-F16 AromaticContact CD1-CG 3.34Å; F7-F16 HydrophobicContact CD1-CG 3.34Å; F7-F16 HydrophobicContact CD1-CZ 4.07Å; F7-F16 HydrophobicContact CD2-CB 3.95Å; F7-F16 HydrophobicContact CD2-CG 4.34Å; F7-F16 HydrophobicContact CE1-CB 4.04Å; F7-F16 AromaticContact CE1-CD1 3.61Å; F7-F16 HydrophobicContact CE1-CD1 3.61Å; F7-F16 HydrophobicContact CE1-CD2 4.14Å; F7-F16 HydrophobicContact CE1-CE1 4.06Å; F7-F16 AromaticContact CE1-CG 3.65Å; F7-F16 HydrophobicContact CE1-CG 3.65Å; F7-F16 HydrophobicContact CE1-CZ 4.49Å; F7-F16 HydrophobicContact CE2-CB 4.12Å; F7-F16 HydrophobicContact CG-CB 3.81Å; F7-F16 HydrophobicContact CG-CD1 4.49Å; F7-F16 AromaticContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CE2 4.33Å; F7-F16 AromaticContact CG-CG 3.72Å; F7-F16 HydrophobicContact CG-CG 3.72Å; F7-F16 HydrophobicContact CZ-CB 4.16Å; F7-F16 HydrophobicContact CZ-CD1 4.33Å; F7-F16 HydrophobicContact CZ-CG 4.27Å
8E80.8Confident86.4Confident72 Ų7238.9 Ų38.934%0.33621%0.212SC..THydrogen-bonded Turntrans50.835-179.3-60.1-173.7163.900113.8A10 S30 S34 R57E8-A10 VanDerWaalsContact C-N 3.3Å; E8-A10 PolarHBondContact O-N 2.84Å; E8-S30 PolarHBondContact OE1-N 3.18Å; E8-S30 PolarHBondContact OE1-OG 2.8Å; E8-S34 PolarHBondContact N-OG 3.03Å; E8-R57 VanDerWaalsContact CD-NH1 3.34Å; E8-R57 IonicContact OE1-NH1 3.21Å; E8-R57 PolarHBondContact OE1-NH1 3.32Å; E8-R57 IonicContact OE2-CZ 3.36Å; E8-R57 IonicContact OE2-NH1 2.71Å; E8-R57 PolarHBondContact OE2-NH1 3.28Å; E8-R57 IonicContact OE2-NH2 2.74Å
9G80.8Confident86.7Confident55 Ų5537.5 Ų37.557%0.56720%0.203SC*.THydrogen-bonded Turntrans83.2-6.6-17700000115.3F7F7-G9 PolarHBondContact O-N 3.22Å; F7-G9 VanDerWaalsContact O-N 3.07Å
10A85.9Confident87Confident34 Ų3436 Ų3628%0.28120%0.195SC..BIsolated β-bridgetrans-83.2136.9169.900000110.8H6 F7 E8 D12 F16H6-A10 WeakPolarHBondContact CA-O 3.48Å; F7-A10 PolarHBondContact N-O 3.19Å; F7-A10 WeakPolarHBondContact O-CA 3.43Å; F7-A10 WeakPolarHBondContact O-CB 3.17Å; F7-A10 PolarHBondContact O-N 3.17Å; E8-A10 VanDerWaalsContact C-N 3.3Å; E8-A10 PolarHBondContact O-N 2.84Å; A10-D12 VanDerWaalsContact C-N 3.25Å; A10-F16 HydrophobicContact CB-CE2 4.2Å
11S87.3Confident87.1Confident8 Ų835.6 Ų35.66%0.05619%0.193CC..SBendtrans-83.8-3.1174.2-49.20000112.7I13 N187 G207 K209S11-I13 VanDerWaalsContact C-N 3.26Å; S11-I13 PolarHBondContact O-N 3.49Å; S11-N187 WeakPolarHBondContact CB-OD1 3.36Å; S11-N187 PolarHBondContact O-ND2 3.29Å; S11-G207 WeakPolarHBondContact O-CA 3.31Å; S11-K209 WeakPolarHBondContact OG-CD 3.32Å; S11-K209 VanDerWaalsContact OG-CG 3.3Å; S11-K209 WeakPolarHBondContact OG-CG 3.48Å
12D90.6Very high87.9Confident58 Ų5831.6 Ų31.631%0.3118%0.175SC..  trans-87.963.9-178.3-60.5-42.7000110.9A10 G14 V15 F16 N187 A195A10-D12 VanDerWaalsContact C-N 3.25Å; D12-G14 VanDerWaalsContact C-N 3.32Å; D12-G14 PolarHBondContact O-N 2.93Å; D12-V15 HydrophobicContact CB-CB 4.48Å; D12-V15 HydrophobicContact CB-CG2 3.72Å; D12-V15 WeakPolarHBondContact O-CB 3.46Å; D12-V15 PolarHBondContact O-N 3.29Å; D12-F16 VanDerWaalsContact O-CD2 3.28Å; D12-F16 WeakPolarHBondContact O-CD2 3.34Å; D12-N187 PolarHBondContact OD1-ND2 2.82Å; D12-A195 CarbonylContact C-O 3.52Å; D12-A195 WeakPolarHBondContact CA-O 3.28Å; D12-A195 HydrophobicContact CB-CB 4.22Å
13I91Very high88.5Confident2 Ų231.2 Ų31.21%0.0117%0.172CC..Hα-helixtrans-62.7-33.6-173.655.6161.8000113.4T5 S11 V15 F16 S17 A195 V198 F205 C206T5-I13 HydrophobicContact CG2-CB 4.3Å; T5-I13 HydrophobicContact CG2-CD1 3.83Å; T5-I13 HydrophobicContact CG2-CG2 3.69Å; S11-I13 VanDerWaalsContact C-N 3.26Å; S11-I13 PolarHBondContact O-N 3.49Å; I13-V15 PolarHBondContact O-N 3.42Å; I13-F16 PolarHBondContact O-N 2.92Å; I13-F16 VanDerWaalsContact O-N 3.13Å; I13-S17 PolarHBondContact O-N 2.97Å; I13-S17 PolarHBondContact O-OG 3.23Å; I13-A195 PolarHBondContact N-O 2.96Å; I13-V198 HydrophobicContact CD1-CG2 4.4Å; I13-V198 HydrophobicContact CG1-CG2 4.36Å; I13-F205 HydrophobicContact CD1-CB 3.64Å; I13-F205 VanDerWaalsContact CD1-O 3.27Å; I13-F205 WeakPolarHBondContact CD1-O 3.34Å; I13-C206 VanDerWaalsContact CD1-C 3.49Å
14G91.2Very high88.8Confident6 Ų630.2 Ų30.26%0.06217%0.165CC..Hα-helixtrans-76.9-4.9179.300000113.8D12 G60 A194 A195D12-G14 VanDerWaalsContact C-N 3.32Å; D12-G14 PolarHBondContact O-N 2.93Å; G14-G60 WeakPolarHBondContact O-CA 2.91Å; G14-A194 WeakPolarHBondContact CA-O 3.33Å; G14-A195 PolarHBondContact N-O 2.89Å
15V91.9Very high89Confident5 Ų524.5 Ų24.53%0.0314%0.143CC..Hα-helixtrans-73.6-36.3166.8179.80000110.8D12 I13 A58 V59 G60 R61 A195D12-V15 HydrophobicContact CB-CB 4.48Å; D12-V15 HydrophobicContact CB-CG2 3.72Å; D12-V15 WeakPolarHBondContact O-CB 3.46Å; D12-V15 PolarHBondContact O-N 3.29Å; I13-V15 PolarHBondContact O-N 3.42Å; V15-A58 HydrophobicContact CG1-CB 3.93Å; V15-A58 CarbonylContact O-C 3.05Å; V15-A58 WeakPolarHBondContact O-CA 3.42Å; V15-V59 PolarHBondContact O-N 3.02Å; V15-G60 PolarHBondContact O-N 3.22Å; V15-G60 VanDerWaalsContact O-N 3.09Å; V15-R61 HydrophobicContact CB-CG 4.46Å; V15-R61 HydrophobicContact CG1-CG 4.08Å; V15-R61 HydrophobicContact CG2-CG 4.41Å; V15-R61 VanDerWaalsContact CG2-CZ 3.41Å; V15-R61 VanDerWaalsContact CG2-NH2 3.32Å; V15-A195 HydrophobicContact CG2-CB 3.85Å
16F92.1Very high89.2Confident36 Ų3624.1 Ų24.116%0.15814%0.141CC..Hα-helixtrans-103.1-10.3-172-54.1-74.9000113.2F7 A10 D12 I13 S27 R57F7-F16 HydrophobicContact CB-CB 4.44Å; F7-F16 HydrophobicContact CB-CD2 3.68Å; F7-F16 HydrophobicContact CB-CE2 4.28Å; F7-F16 HydrophobicContact CB-CG 4.26Å; F7-F16 HydrophobicContact CD1-CB 3.87Å; F7-F16 AromaticContact CD1-CD1 3.71Å; F7-F16 HydrophobicContact CD1-CD1 3.71Å; F7-F16 AromaticContact CD1-CD2 3.37Å; F7-F16 HydrophobicContact CD1-CD2 3.37Å; F7-F16 HydrophobicContact CD1-CE1 4.06Å; F7-F16 AromaticContact CD1-CE2 3.74Å; F7-F16 HydrophobicContact CD1-CE2 3.74Å; F7-F16 AromaticContact CD1-CG 3.34Å; F7-F16 HydrophobicContact CD1-CG 3.34Å; F7-F16 HydrophobicContact CD1-CZ 4.07Å; F7-F16 HydrophobicContact CD2-CB 3.95Å; F7-F16 HydrophobicContact CD2-CG 4.34Å; F7-F16 HydrophobicContact CE1-CB 4.04Å; F7-F16 AromaticContact CE1-CD1 3.61Å; F7-F16 HydrophobicContact CE1-CD1 3.61Å; F7-F16 HydrophobicContact CE1-CD2 4.14Å; F7-F16 HydrophobicContact CE1-CE1 4.06Å; F7-F16 AromaticContact CE1-CG 3.65Å; F7-F16 HydrophobicContact CE1-CG 3.65Å; F7-F16 HydrophobicContact CE1-CZ 4.49Å; F7-F16 HydrophobicContact CE2-CB 4.12Å; F7-F16 HydrophobicContact CG-CB 3.81Å; F7-F16 HydrophobicContact CG-CD1 4.49Å; F7-F16 AromaticContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CE2 4.33Å; F7-F16 AromaticContact CG-CG 3.72Å; F7-F16 HydrophobicContact CG-CG 3.72Å; F7-F16 HydrophobicContact CZ-CB 4.16Å; F7-F16 HydrophobicContact CZ-CD1 4.33Å; F7-F16 HydrophobicContact CZ-CG 4.27Å; A10-F16 HydrophobicContact CB-CE2 4.2Å; D12-F16 VanDerWaalsContact O-CD2 3.28Å; D12-F16 WeakPolarHBondContact O-CD2 3.34Å; I13-F16 PolarHBondContact O-N 2.92Å; I13-F16 VanDerWaalsContact O-N 3.13Å; F16-S27 WeakPolarHBondContact O-CB 3.2Å; F16-S27 PolarHBondContact O-N 3.13Å; F16-R57 HydrophobicContact CD1-CB 4.35Å; F16-R57 WeakPolarHBondContact CD1-O 3.5Å
17S91.9Very high89.4Confident4 Ų421 Ų213%0.02813%0.126CC..EExtended strand (participates in β ladder)trans-136.9151.9-17860.50000111.8I13 L25 F38 G60I13-S17 PolarHBondContact O-N 2.97Å; I13-S17 PolarHBondContact O-OG 3.23Å; S17-L25 CarbonylContact C-O 3.22Å; S17-L25 WeakPolarHBondContact CA-O 3.34Å; S17-F38 WeakPolarHBondContact OG-CZ 3.29Å; S17-G60 WeakPolarHBondContact O-CA 3.21Å
18K92.5Very high89.7Confident42 Ų4224.2 Ų24.218%0.18315%0.146CC..EExtended strand (participates in β ladder)trans-134.4116.9172.9-172.771.4176.9-173.70108.1C24 L25K18-C24 CarbonylContact O-C 3.59Å; K18-C24 WeakPolarHBondContact O-CA 3.48Å; K18-L25 HydrophobicContact CB-CB 4.28Å; K18-L25 PolarHBondContact N-O 3.48Å; K18-L25 PolarHBondContact O-N 2.76Å
19L92.7Very high89.1Confident11 Ų1122.1 Ų22.16%0.05814%0.144CC..EExtended strand (participates in β ladder)trans-102134.9176.7-173.464.3000109.6C24 L42 F46 V198 N200 F205L19-C24 HydrophobicContact CD1-CB 3.68Å; L19-L42 HydrophobicContact CD1-CD1 4.05Å; L19-L42 HydrophobicContact CD1-CD2 3.87Å; L19-L42 HydrophobicContact CD2-CD2 4.49Å; L19-F46 HydrophobicContact CD1-CE1 3.95Å; L19-F46 HydrophobicContact CD1-CZ 4.12Å; L19-V198 HydrophobicContact CB-CG1 3.19Å; L19-V198 HydrophobicContact CD2-CG1 4.24Å; L19-V198 HydrophobicContact CG-CG1 4.36Å; L19-N200 HydrophobicContact CD2-CB 3.85Å; L19-N200 HydrophobicContact CG-CB 3.91Å; L19-F205 HydrophobicContact CD2-CD2 3.93Å; L19-F205 HydrophobicContact CD2-CE2 3.84Å
20T92.6Very high88Confident7 Ų724.5 Ų24.54%0.04315%0.152CC..  trans-120.8-179.7167.371.80000108.6N22 Y23 F46 G65T20-N22 VanDerWaalsContact C-N 3.28Å; T20-N22 PolarHBondContact O-N 2.73Å; T20-N22 PolarHBondContact OG1-N 2.78Å; T20-Y23 HydrophobicContact CG2-CD2 4.4Å; T20-Y23 HydrophobicContact CG2-CE1 4.04Å; T20-Y23 HydrophobicContact CG2-CE2 3.82Å; T20-Y23 PolarHBondContact N-O 3.17Å; T20-Y23 VanDerWaalsContact OG1-CD1 3.3Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.21Å; T20-Y23 WeakPolarHBondContact OG1-CE1 3.2Å; T20-Y23 PolarHBondContact OG1-N 2.93Å; T20-Y23 PolarHBondContact OG1-O 3.47Å; T20-F46 WeakPolarHBondContact O-CZ 3.19Å; T20-G65 WeakPolarHBondContact CG2-O 3.06Å
21N89.8Confident86.8Confident29 Ų2924.4 Ų24.416%0.15515%0.15CC..SBendtrans-74.3-15.8173.7-71-34.1000113.7F46 T67 D112 N156 N200 D201N21-F46 WeakPolarHBondContact O-CE2 3.25Å; N21-T67 HydrophobicContact CB-CG2 3.52Å; N21-D112 PolarHBondContact ND2-OD2 2.86Å; N21-N156 PolarHBondContact ND2-ND2 3.4Å; N21-N200 WeakPolarHBondContact OD1-CB 3.34Å; N21-D201 PolarHBondContact ND2-OD2 3Å; N21-D201 PolarHBondContact OD1-N 3.39Å
22N89.7Confident85.6Confident64 Ų6432 Ų3234%0.34218%0.184SC..SBendtrans-115.4-23.2-174.5-76.4-13.4000114.4T20 P47 T67T20-N22 VanDerWaalsContact C-N 3.28Å; T20-N22 PolarHBondContact O-N 2.73Å; T20-N22 PolarHBondContact OG1-N 2.78Å; N22-P47 WeakPolarHBondContact O-CD 3.3Å; N22-T67 WeakPolarHBondContact ND2-CB 3.24Å; N22-T67 PolarHBondContact ND2-O 3.36Å; N22-T67 VanDerWaalsContact ND2-O 3.1Å
23Y91.8Very high84.3Confident0 Ų035.2 Ų35.20%020%0.201CC..  trans-156.4157.6-178.960.9-86.7000111T20 L25 F46 P47 G65 N66 G69 L70 V88 V92T20-Y23 HydrophobicContact CG2-CD2 4.4Å; T20-Y23 HydrophobicContact CG2-CE1 4.04Å; T20-Y23 HydrophobicContact CG2-CE2 3.82Å; T20-Y23 PolarHBondContact N-O 3.17Å; T20-Y23 VanDerWaalsContact OG1-CD1 3.3Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.21Å; T20-Y23 WeakPolarHBondContact OG1-CE1 3.2Å; T20-Y23 PolarHBondContact OG1-N 2.93Å; T20-Y23 PolarHBondContact OG1-O 3.47Å; Y23-L25 HydrophobicContact CD2-CD2 4Å; Y23-L25 HydrophobicContact CD2-CG 4.07Å; Y23-L25 HydrophobicContact CE2-CD1 4.34Å; Y23-L25 HydrophobicContact CE2-CD2 4.25Å; Y23-L25 HydrophobicContact CE2-CG 4.06Å; Y23-F46 VanDerWaalsContact N-CZ 3.32Å; Y23-P47 WeakPolarHBondContact CA-O 3.33Å; Y23-G65 WeakPolarHBondContact OH-CA 3.34Å; Y23-N66 WeakPolarHBondContact CE1-O 3.42Å; Y23-N66 PolarHBondContact OH-O 3.47Å; Y23-G69 PolarHBondContact OH-O 2.8Å; Y23-L70 HydrophobicContact CE2-CD1 4.21Å; Y23-L70 HydrophobicContact CE2-CD2 4.38Å; Y23-L70 WeakPolarHBondContact OH-CB 3.31Å; Y23-V88 HydrophobicContact CD2-CG1 4.21Å; Y23-V88 HydrophobicContact CE2-CG1 4.48Å; Y23-V88 HydrophobicContact CG-CG1 4.31Å; Y23-V92 HydrophobicContact CD1-CG1 4.47Å; Y23-V92 HydrophobicContact CD1-CG2 3.95Å; Y23-V92 HydrophobicContact CE1-CB 4.36Å; Y23-V92 HydrophobicContact CE1-CG1 3.68Å; Y23-V92 HydrophobicContact CE1-CG2 3.77Å
24C92.1Very high83.1Confident0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-121.8129.6172.6-174.50000108.7K18 L19 L42 F46 P47 V48 I49K18-C24 CarbonylContact O-C 3.59Å; K18-C24 WeakPolarHBondContact O-CA 3.48Å; L19-C24 HydrophobicContact CD1-CB 3.68Å; C24-L42 HydrophobicContact CB-CD1 4Å; C24-F46 HydrophobicContact CB-CD1 4.41Å; C24-F46 HydrophobicContact CB-CE1 3.78Å; C24-P47 PolarHBondContact N-O 2.82Å; C24-V48 HydrophobicContact CB-CG2 4.27Å; C24-V48 WeakPolarHBondContact O-CA 3.45Å; C24-I49 PolarHBondContact O-N 2.96Å
25L92.5Very high82.3Confident0 Ų035.4 Ų35.40%020%0.201CC..EExtended strand (participates in β ladder)trans-96.7129.9167.7-52.7178.4000108.1S17 K18 Y23 I49 T51 V59 T63 L70 L84S17-L25 CarbonylContact C-O 3.22Å; S17-L25 WeakPolarHBondContact CA-O 3.34Å; K18-L25 HydrophobicContact CB-CB 4.28Å; K18-L25 PolarHBondContact N-O 3.48Å; K18-L25 PolarHBondContact O-N 2.76Å; Y23-L25 HydrophobicContact CD2-CD2 4Å; Y23-L25 HydrophobicContact CD2-CG 4.07Å; Y23-L25 HydrophobicContact CE2-CD1 4.34Å; Y23-L25 HydrophobicContact CE2-CD2 4.25Å; Y23-L25 HydrophobicContact CE2-CG 4.06Å; L25-I49 HydrophobicContact CD2-CB 4.03Å; L25-I49 HydrophobicContact CD2-CD1 3.95Å; L25-I49 HydrophobicContact CD2-CG2 4.46Å; L25-T51 HydrophobicContact CB-CG2 4.48Å; L25-V59 HydrophobicContact CB-CG1 3.77Å; L25-V59 HydrophobicContact CD1-CG1 4.11Å; L25-T63 HydrophobicContact CD1-CG2 4.37Å; L25-L70 HydrophobicContact CD1-CD1 3.69Å; L25-L70 HydrophobicContact CD1-CD2 3.85Å; L25-L70 HydrophobicContact CD1-CG 4.44Å; L25-L70 HydrophobicContact CD2-CD2 4.44Å; L25-L84 HydrophobicContact CD2-CD2 3.73Å
26V91.8Very high81.7Confident0 Ų037 Ų370%021%0.213CC..EExtended strand (participates in β ladder)trans-125.4144.2174-680000108.8F38 V48 I49 D50 T51V26-F38 HydrophobicContact CG1-CD2 4.11Å; V26-F38 HydrophobicContact CG1-CG 4.31Å; V26-V48 HydrophobicContact CG1-CG1 4.08Å; V26-V48 HydrophobicContact CG2-CG1 3.75Å; V26-I49 WeakPolarHBondContact CG2-O 3.49Å; V26-I49 PolarHBondContact N-O 3.48Å; V26-D50 HydrophobicContact CG2-CB 4.45Å; V26-D50 WeakPolarHBondContact CG2-OD1 3.48Å; V26-D50 CarbonylContact O-C 3.59Å; V26-D50 WeakPolarHBondContact O-CA 3.3Å; V26-T51 PolarHBondContact O-N 2.85Å
27S90.2Very high81.4Confident0 Ų037.1 Ų37.10%022%0.216CC..EExtended strand (participates in β ladder)trans-63.3142.4172.7-178.50000109.9F16 G29 N35 T51 R57F16-S27 WeakPolarHBondContact O-CB 3.2Å; F16-S27 PolarHBondContact O-N 3.13Å; S27-G29 PolarHBondContact O-N 2.85Å; S27-N35 PolarHBondContact O-ND2 3.19Å; S27-N35 VanDerWaalsContact O-ND2 3.09Å; S27-T51 WeakPolarHBondContact CA-O 3.37Å; S27-R57 WeakPolarHBondContact CB-O 3.28Å; S27-R57 VanDerWaalsContact OG-CA 3.26Å; S27-R57 WeakPolarHBondContact OG-CA 3.45Å; S27-R57 WeakPolarHBondContact OG-CB 3.29Å; S27-R57 WeakPolarHBondContact OG-CG 3.34Å; S27-R57 PolarHBondContact OG-O 3.06Å; S27-R57 VanDerWaalsContact OG-O 3.11Å
28V84.1Confident81Confident75 Ų7537.1 Ų37.146%0.45522%0.216SC..  trans-58.4108.3160.6-173.30000107.5D50 T51 T52V28-D50 HydrophobicContact CG2-CB 4.26Å; V28-T51 PolarHBondContact N-O 3.5Å; V28-T51 VanDerWaalsContact N-O 3.16Å; V28-T52 HydrophobicContact CB-CG2 4.15Å; V28-T52 HydrophobicContact CG2-CG2 4Å
29G68.6Low80.6Confident28 Ų2840.5 Ų40.529%0.28923%0.227SC..  trans-107.2160.6-178.200000111.4S27S27-G29 PolarHBondContact O-N 2.85Å
30S58.6Low80.2Confident106 Ų10645.9 Ų45.974%0.74126%0.256SS*.SBendtrans-78.9-25.4173590000113.1E8E8-S30 PolarHBondContact OE1-N 3.18Å; E8-S30 PolarHBondContact OE1-OG 2.8Å
31S61.1Low79.8Confident32 Ų3250 Ų5022%0.22428%0.275CS..  trans-106112.7-179.465.70000111.2N33 S34S31-N33 PolarHBondContact O-N 2.83Å; S31-S34 PolarHBondContact O-N 3.04Å; S31-S34 PolarHBondContact OG-OG 2.72Å
32E60.4Low79.6Confident168 Ų16849 Ų4979%0.78527%0.269SS*.Hα-helixtrans-55.6-31.5171.1-67.1-176.8162.300111.7S34 N35 S36E32-S34 VanDerWaalsContact C-N 3.28Å; E32-S34 PolarHBondContact O-N 3.12Å; E32-N35 PolarHBondContact O-N 3.16Å; E32-S36 WeakPolarHBondContact O-CB 3.39Å; E32-S36 PolarHBondContact O-N 3Å
33N64.1Low79.3Confident124 Ų12448.7 Ų48.766%0.66327%0.271SS*.Hα-helixtrans-57.4-32.4-178.4-62.93.2000115S31 S36S31-N33 PolarHBondContact O-N 2.83Å; N33-S36 PolarHBondContact O-OG 2.96Å
34S65.7Low78.6Confident2 Ų258.1 Ų58.11%0.01432%0.315CS..Hα-helixtrans-77.5-38.8-178.4-53.60000110.7H6 E8 S31 E32H6-S34 VanDerWaalsContact O-CB 3.29Å; H6-S34 WeakPolarHBondContact O-CB 3.37Å; H6-S34 PolarHBondContact O-OG 3.19Å; E8-S34 PolarHBondContact N-OG 3.03Å; S31-S34 PolarHBondContact O-N 3.04Å; S31-S34 PolarHBondContact OG-OG 2.72Å; E32-S34 VanDerWaalsContact C-N 3.28Å; E32-S34 PolarHBondContact O-N 3.12Å
35N74.5Confident78Confident10 Ų1065.7 Ų65.75%0.05336%0.355CS..Hα-helixtrans-79.4-25.2179.2-684.5000111.3S27 E32 V37 F38 R39 D50S27-N35 PolarHBondContact O-ND2 3.19Å; S27-N35 VanDerWaalsContact O-ND2 3.09Å; E32-N35 PolarHBondContact O-N 3.16Å; N35-V37 VanDerWaalsContact C-N 3.3Å; N35-V37 PolarHBondContact O-N 2.79Å; N35-F38 PolarHBondContact O-N 3.03Å; N35-R39 PolarHBondContact O-N 3.02Å; N35-D50 PolarHBondContact ND2-OD1 3.5Å
36S79.8Confident77.8Confident40 Ų4067 Ų6728%0.2836%0.361SS..Hα-helixtrans-61-38.8177.373.60000111.6E32 N33 F38 R39 D40E32-S36 WeakPolarHBondContact O-CB 3.39Å; E32-S36 PolarHBondContact O-N 3Å; N33-S36 PolarHBondContact O-OG 2.96Å; S36-F38 VanDerWaalsContact C-N 3.25Å; S36-F38 PolarHBondContact O-N 3.43Å; S36-R39 CarbonylContact O-C 3.41Å; S36-R39 WeakPolarHBondContact O-CA 3.42Å; S36-R39 PolarHBondContact O-N 2.74Å; S36-D40 WeakPolarHBondContact O-CB 3.42Å; S36-D40 PolarHBondContact O-N 2.99Å
37V84.3Confident77.7Confident37 Ų3768.9 Ų68.922%0.22437%0.373CS..Hα-helixtrans-57.5-39.7177.3-178.40000111.8N35 E41 F205N35-V37 VanDerWaalsContact C-N 3.3Å; N35-V37 PolarHBondContact O-N 2.79Å; V37-E41 HydrophobicContact CG1-CG 4.19Å; V37-E41 VanDerWaalsContact O-CB 3.31Å; V37-E41 WeakPolarHBondContact O-CB 3.26Å; V37-E41 VanDerWaalsContact O-CG 3.24Å; V37-E41 WeakPolarHBondContact O-CG 3.41Å; V37-E41 PolarHBondContact O-N 2.75Å; V37-E41 VanDerWaalsContact O-N 3.09Å; V37-F205 HydrophobicContact CG1-CD1 4.43Å; V37-F205 HydrophobicContact CG1-CE1 4.21Å
38F83.6Confident77.7Confident5 Ų569.7 Ų69.72%0.02238%0.379CS..Hα-helixtrans-67.5-39.4174-68.3-79.5000111.5T5 S17 V26 N35 S36 D40 L42 F205T5-F38 HydrophobicContact CG2-CZ 4.33Å; S17-F38 WeakPolarHBondContact OG-CZ 3.29Å; V26-F38 HydrophobicContact CG1-CD2 4.11Å; V26-F38 HydrophobicContact CG1-CG 4.31Å; N35-F38 PolarHBondContact O-N 3.03Å; S36-F38 VanDerWaalsContact C-N 3.25Å; S36-F38 PolarHBondContact O-N 3.43Å; F38-D40 VanDerWaalsContact C-N 3.34Å; F38-L42 HydrophobicContact CB-CD1 4.2Å; F38-L42 WeakPolarHBondContact O-CB 3.39Å; F38-L42 WeakPolarHBondContact O-CD1 3.37Å; F38-L42 WeakPolarHBondContact O-CG 3.2Å; F38-L42 PolarHBondContact O-N 3.04Å; F38-L42 VanDerWaalsContact O-N 3.15Å; F38-F205 HydrophobicContact CD1-CD1 4.14Å; F38-F205 AromaticContact CD1-CD2 3.87Å; F38-F205 HydrophobicContact CD1-CD2 3.87Å; F38-F205 HydrophobicContact CD1-CE1 4.04Å; F38-F205 AromaticContact CD1-CE2 3.78Å; F38-F205 HydrophobicContact CD1-CE2 3.78Å; F38-F205 HydrophobicContact CD1-CG 4.05Å; F38-F205 AromaticContact CD1-CZ 3.86Å; F38-F205 HydrophobicContact CD1-CZ 3.86Å; F38-F205 HydrophobicContact CE1-CB 4.05Å; F38-F205 HydrophobicContact CE1-CD1 4Å; F38-F205 AromaticContact CE1-CD2 3.6Å; F38-F205 HydrophobicContact CE1-CD2 3.6Å; F38-F205 HydrophobicContact CE1-CE1 4.37Å; F38-F205 HydrophobicContact CE1-CE2 4.02Å; F38-F205 AromaticContact CE1-CG 3.59Å; F38-F205 HydrophobicContact CE1-CG 3.59Å; F38-F205 HydrophobicContact CE1-CZ 4.38Å; F38-F205 HydrophobicContact CZ-CB 4.47Å; F38-F205 HydrophobicContact CZ-CG 4.37Å
39R84.5Confident78Confident112 Ų11266.6 Ų66.642%0.42336%0.359SS..Hα-helixtrans-71-29.5179.4-64.3179.6-179.2-71.6-4.8113.1N35 S36 V48 D50N35-R39 PolarHBondContact O-N 3.02Å; S36-R39 CarbonylContact O-C 3.41Å; S36-R39 WeakPolarHBondContact O-CA 3.42Å; S36-R39 PolarHBondContact O-N 2.74Å; R39-V48 HydrophobicContact CG-CB 4.27Å; R39-V48 HydrophobicContact CG-CG1 4.11Å; R39-V48 HydrophobicContact CG-CG2 4.35Å; R39-V48 PolarHBondContact NH1-O 3.3Å; R39-V48 PolarHBondContact NH2-O 3.23Å; R39-V48 VanDerWaalsContact NH2-O 3.1Å; R39-D50 IonicContact CZ-OD2 3.89Å; R39-D50 IonicContact NH2-OD1 3.85Å; R39-D50 IonicContact NH2-OD2 2.7Å; R39-D50 PolarHBondContact NH2-OD2 2.84Å
40D85.6Confident79.1Confident124 Ų12468.1 Ų68.166%0.66336%0.361SS*.Hα-helixtrans-83.3-36.1-177.7-63-25.8000112S36 F38S36-D40 WeakPolarHBondContact O-CB 3.42Å; S36-D40 PolarHBondContact O-N 2.99Å; F38-D40 VanDerWaalsContact C-N 3.34Å
41E83.9Confident80.6Confident95 Ų9563.2 Ų63.244%0.44433%0.327SS..Hα-helixtrans-89.2-24.6-177.3-66.3-81.4139.400113.1S3 V37 F205S3-E41 PolarHBondContact OG-OE2 3.23Å; V37-E41 HydrophobicContact CG1-CG 4.19Å; V37-E41 VanDerWaalsContact O-CB 3.31Å; V37-E41 WeakPolarHBondContact O-CB 3.26Å; V37-E41 VanDerWaalsContact O-CG 3.24Å; V37-E41 WeakPolarHBondContact O-CG 3.41Å; V37-E41 PolarHBondContact O-N 2.75Å; V37-E41 VanDerWaalsContact O-N 3.09Å; E41-F205 HydrophobicContact CB-CE1 3.75Å; E41-F205 HydrophobicContact CB-CZ 3.74Å; E41-F205 HydrophobicContact CG-CE1 4Å; E41-F205 HydrophobicContact CG-CZ 4.49Å
42L85.6Confident82.1Confident7 Ų763.5 Ų63.54%0.03733%0.327CS..SBendtrans-84.5151.8174.9-58.3169.4000109.8L19 C24 F38 F46 V48 W202 A203 F205L19-L42 HydrophobicContact CD1-CD1 4.05Å; L19-L42 HydrophobicContact CD1-CD2 3.87Å; L19-L42 HydrophobicContact CD2-CD2 4.49Å; C24-L42 HydrophobicContact CB-CD1 4Å; F38-L42 HydrophobicContact CB-CD1 4.2Å; F38-L42 WeakPolarHBondContact O-CB 3.39Å; F38-L42 WeakPolarHBondContact O-CD1 3.37Å; F38-L42 WeakPolarHBondContact O-CG 3.2Å; F38-L42 PolarHBondContact O-N 3.04Å; F38-L42 VanDerWaalsContact O-N 3.15Å; L42-F46 HydrophobicContact CB-CB 4.08Å; L42-F46 HydrophobicContact CB-CD1 4.1Å; L42-F46 HydrophobicContact CB-CG 4.18Å; L42-F46 HydrophobicContact CD1-CD1 3.69Å; L42-F46 HydrophobicContact CD1-CE1 3.92Å; L42-F46 HydrophobicContact CD2-CD1 4.47Å; L42-F46 HydrophobicContact CD2-CE1 4.48Å; L42-F46 HydrophobicContact CG-CD1 4.3Å; L42-V48 HydrophobicContact CD1-CG2 3.76Å; L42-W202 HydrophobicContact CB-CH2 4.24Å; L42-W202 HydrophobicContact CD2-CH2 3.24Å; L42-W202 HydrophobicContact CD2-CZ2 4.17Å; L42-W202 HydrophobicContact CD2-CZ3 3.74Å; L42-W202 HydrophobicContact CG-CH2 4.31Å; L42-A203 HydrophobicContact CD2-CB 4.5Å; L42-F205 HydrophobicContact CD2-CE2 4.02Å; L42-F205 HydrophobicContact CD2-CZ 4.18Å; L42-F205 HydrophobicContact CG-CE2 4.49Å; L42-F205 HydrophobicContact CG-CZ 4.27Å
43P82.7Confident83.7Confident58 Ų5855.5 Ų55.538%0.37729%0.29SS..  trans-54.8147.4177.1-25.232.6000112.5N45 F46 W202 M228P43-N45 PolarHBondContact O-N 2.65Å; P43-F46 HydrophobicContact CB-CB 4.4Å; P43-F46 WeakPolarHBondContact O-CB 3.16Å; P43-F46 PolarHBondContact O-N 3.02Å; P43-W202 HydrophobicContact CG-CH2 3.94Å; P43-W202 HydrophobicContact CG-CZ2 4.44Å; P43-W202 HydrophobicContact CG-CZ3 4.29Å; P43-M228 HydrophobicContact CG-CE 4.15Å
44E76.9Confident84.9Confident198 Ų19851.2 Ų51.293%0.92527%0.271SS*.THydrogen-bonded Turntrans-54.4-33-174.9-65.5-175.1166.700114.1F46E44-F46 VanDerWaalsContact C-N 3.32Å
45N80.7Confident86Confident158 Ų15853.9 Ų53.985%0.84530%0.299SS*.THydrogen-bonded Turntrans-90.78.8179.8-67-31.6000113.6P43 P47P43-N45 PolarHBondContact O-N 2.65Å; N45-P47 WeakPolarHBondContact O-CD 3.25Å
46F86.8Confident86.8Confident27 Ų2757.4 Ų57.412%0.11832%0.317CS..SBendtrans-81.1123.5-177.7-164.2-90.5000111.2L19 T20 N21 Y23 C24 L42 P43 E44 V48 W202L19-F46 HydrophobicContact CD1-CE1 3.95Å; L19-F46 HydrophobicContact CD1-CZ 4.12Å; T20-F46 WeakPolarHBondContact O-CZ 3.19Å; N21-F46 WeakPolarHBondContact O-CE2 3.25Å; Y23-F46 VanDerWaalsContact N-CZ 3.32Å; C24-F46 HydrophobicContact CB-CD1 4.41Å; C24-F46 HydrophobicContact CB-CE1 3.78Å; L42-F46 HydrophobicContact CB-CB 4.08Å; L42-F46 HydrophobicContact CB-CD1 4.1Å; L42-F46 HydrophobicContact CB-CG 4.18Å; L42-F46 HydrophobicContact CD1-CD1 3.69Å; L42-F46 HydrophobicContact CD1-CE1 3.92Å; L42-F46 HydrophobicContact CD2-CD1 4.47Å; L42-F46 HydrophobicContact CD2-CE1 4.48Å; L42-F46 HydrophobicContact CG-CD1 4.3Å; P43-F46 HydrophobicContact CB-CB 4.4Å; P43-F46 WeakPolarHBondContact O-CB 3.16Å; P43-F46 PolarHBondContact O-N 3.02Å; E44-F46 VanDerWaalsContact C-N 3.32Å; F46-V48 HydrophobicContact CD1-CG2 4.25Å; F46-V48 PolarHBondContact O-N 3.26Å; F46-W202 HydrophobicContact CD2-CH2 4.35Å; F46-W202 AromaticContact CD2-CZ2 3.96Å; F46-W202 HydrophobicContact CD2-CZ2 3.96Å; F46-W202 HydrophobicContact CE2-CH2 4.43Å; F46-W202 AromaticContact CE2-CZ2 3.74Å; F46-W202 HydrophobicContact CE2-CZ2 3.74Å; F46-W202 HydrophobicContact CZ-CZ2 4.38Å
47P89.3Confident87.3Confident40 Ų4061 Ų6126%0.2632%0.324SS..  trans-66.1108.9-179.1-19.531.3000112.1N22 Y23 C24 N45 P89N22-P47 WeakPolarHBondContact O-CD 3.3Å; Y23-P47 WeakPolarHBondContact CA-O 3.33Å; C24-P47 PolarHBondContact N-O 2.82Å; N45-P47 WeakPolarHBondContact O-CD 3.25Å; P47-P89 HydrophobicContact CG-CG 4.22Å
48V90.3Very high87.6Confident18 Ų1860.1 Ų60.111%0.10932%0.321CS..EExtended strand (participates in β ladder)trans-108.5107.6170.9-1780000109.1C24 V26 R39 L42 F46C24-V48 HydrophobicContact CB-CG2 4.27Å; C24-V48 WeakPolarHBondContact O-CA 3.45Å; V26-V48 HydrophobicContact CG1-CG1 4.08Å; V26-V48 HydrophobicContact CG2-CG1 3.75Å; R39-V48 HydrophobicContact CG-CB 4.27Å; R39-V48 HydrophobicContact CG-CG1 4.11Å; R39-V48 HydrophobicContact CG-CG2 4.35Å; R39-V48 PolarHBondContact NH1-O 3.3Å; R39-V48 PolarHBondContact NH2-O 3.23Å; R39-V48 VanDerWaalsContact NH2-O 3.1Å; L42-V48 HydrophobicContact CD1-CG2 3.76Å; F46-V48 HydrophobicContact CD1-CG2 4.25Å; F46-V48 PolarHBondContact O-N 3.26Å
49I91Very high88Confident9 Ų959.9 Ų59.95%0.04632%0.32CS..EExtended strand (participates in β ladder)trans-105.8113.9-168.3-52.1167.3000109.3C24 L25 V26 S87 V88C24-I49 PolarHBondContact O-N 2.96Å; L25-I49 HydrophobicContact CD2-CB 4.03Å; L25-I49 HydrophobicContact CD2-CD1 3.95Å; L25-I49 HydrophobicContact CD2-CG2 4.46Å; V26-I49 WeakPolarHBondContact CG2-O 3.49Å; V26-I49 PolarHBondContact N-O 3.48Å; I49-S87 WeakPolarHBondContact CD1-O 3.28Å; I49-V88 HydrophobicContact CD1-CB 4.33Å; I49-V88 HydrophobicContact CD1-CG1 3.51Å
50D91.2Very high88.3Confident60 Ų6054.9 Ų54.932%0.32130%0.303SS..EExtended strand (participates in β ladder)trans-76.3121.5170.5-59.3-72.8000109.5V26 V28 N35 R39 H83V26-D50 HydrophobicContact CG2-CB 4.45Å; V26-D50 WeakPolarHBondContact CG2-OD1 3.48Å; V26-D50 CarbonylContact O-C 3.59Å; V26-D50 WeakPolarHBondContact O-CA 3.3Å; V28-D50 HydrophobicContact CG2-CB 4.26Å; N35-D50 PolarHBondContact ND2-OD1 3.5Å; R39-D50 IonicContact CZ-OD2 3.89Å; R39-D50 IonicContact NH2-OD1 3.85Å; R39-D50 IonicContact NH2-OD2 2.7Å; R39-D50 PolarHBondContact NH2-OD2 2.84Å; D50-H83 PolarHBondContact O-NE2 3.41Å
51T91.4Very high88.7Confident4 Ų453.2 Ų53.23%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-148.9164.7-177.8-164.20000112.5L25 V26 S27 V28 V59 L84L25-T51 HydrophobicContact CB-CG2 4.48Å; V26-T51 PolarHBondContact O-N 2.85Å; S27-T51 WeakPolarHBondContact CA-O 3.37Å; V28-T51 PolarHBondContact N-O 3.5Å; V28-T51 VanDerWaalsContact N-O 3.16Å; T51-V59 HydrophobicContact CG2-CG1 3.9Å; T51-V59 HydrophobicContact CG2-CG2 3.99Å; T51-V59 WeakPolarHBondContact O-CG2 3.46Å; T51-L84 HydrophobicContact CG2-CD2 4.08Å
52T92.6Very high89.1Confident38 Ų3849.5 Ų49.523%0.23327%0.271CS..  trans-121.3157.5164.256.40000108.4V28 E80V28-T52 HydrophobicContact CB-CG2 4.15Å; V28-T52 HydrophobicContact CG2-CG2 4Å; T52-E80 WeakPolarHBondContact CB-OE1 3.49Å; T52-E80 VanDerWaalsContact O-CG 3.25Å; T52-E80 WeakPolarHBondContact O-CG 3.24Å; T52-E80 PolarHBondContact OG1-OE1 3.4Å
53I92.4Very high89.5Confident0 Ų049.2 Ų49.20%027%0.269CS..BIsolated β-bridgetrans-125.7117.4177.1-57.4-69.2000107.8G55 I56 V59 M62 T63 V72 P73 T76 E80 L84I53-G55 PolarHBondContact O-N 3.06Å; I53-I56 PolarHBondContact N-O 3.25Å; I53-I56 WeakPolarHBondContact O-CB 3.39Å; I53-I56 PolarHBondContact O-N 2.73Å; I53-V59 HydrophobicContact CG1-CB 4.41Å; I53-V59 HydrophobicContact CG1-CG1 4.02Å; I53-V59 HydrophobicContact CG1-CG2 4.24Å; I53-M62 HydrophobicContact CB-CB 4.03Å; I53-M62 HydrophobicContact CB-CG 4.46Å; I53-M62 HydrophobicContact CG2-CB 3.66Å; I53-M62 HydrophobicContact CG2-CE 4.48Å; I53-M62 HydrophobicContact CG2-CG 4.29Å; I53-T63 HydrophobicContact CD1-CG2 3.66Å; I53-T63 HydrophobicContact CG1-CG2 3.65Å; I53-V72 HydrophobicContact CD1-CG1 4.24Å; I53-P73 HydrophobicContact CG2-CG 3.67Å; I53-T76 HydrophobicContact CD1-CG2 4.37Å; I53-E80 PolarHBondContact N-OE1 2.95Å; I53-L84 HydrophobicContact CD1-CD1 3.92Å
54A90.4Very high90.1Very high33 Ų3346.4 Ų46.427%0.27325%0.251SS..THydrogen-bonded Turntrans57.631.8-172.800000112.7I56 S75 E80A54-I56 PolarHBondContact O-N 3.36Å; A54-S75 WeakPolarHBondContact CA-O 3.47Å; A54-S75 VanDerWaalsContact CB-O 3.22Å; A54-S75 WeakPolarHBondContact CB-O 3.43Å; A54-S75 WeakPolarHBondContact CB-OG 3.32Å; A54-E80 PolarHBondContact N-OE1 2.77Å; A54-E80 PolarHBondContact N-OE2 2.77Å
55G88.7Confident90.8Very high58 Ų5837.2 Ų37.260%0.59821%0.209SC*.THydrogen-bonded Turntrans69.27.4-172.900000114.7I53 E80I53-G55 PolarHBondContact O-N 3.06Å; G55-E80 PolarHBondContact N-OE1 3.46Å
56I90.6Very high91.4Very high85 Ų8529.9 Ų29.944%0.43617%0.17SC..BIsolated β-bridgetrans-99.8142.6178.4-46.8179.1000109.5I53 A54 A58I53-I56 PolarHBondContact N-O 3.25Å; I53-I56 WeakPolarHBondContact O-CB 3.39Å; I53-I56 PolarHBondContact O-N 2.73Å; A54-I56 PolarHBondContact O-N 3.36Å; I56-A58 VanDerWaalsContact C-N 3.29Å; I56-A58 HydrophobicContact CG2-CB 3.97Å; I56-A58 PolarHBondContact O-N 2.94Å
57R89.8Confident91.7Very high115 Ų11529.5 Ų29.543%0.43417%0.17SC..SBendtrans-75.6-10.7176.2-68.9-171-66.2164.56.1114.5E8 F16 S27 V59E8-R57 VanDerWaalsContact CD-NH1 3.34Å; E8-R57 IonicContact OE1-NH1 3.21Å; E8-R57 PolarHBondContact OE1-NH1 3.32Å; E8-R57 IonicContact OE2-CZ 3.36Å; E8-R57 IonicContact OE2-NH1 2.71Å; E8-R57 PolarHBondContact OE2-NH1 3.28Å; E8-R57 IonicContact OE2-NH2 2.74Å; F16-R57 HydrophobicContact CD1-CB 4.35Å; F16-R57 WeakPolarHBondContact CD1-O 3.5Å; S27-R57 WeakPolarHBondContact CB-O 3.28Å; S27-R57 VanDerWaalsContact OG-CA 3.26Å; S27-R57 WeakPolarHBondContact OG-CA 3.45Å; S27-R57 WeakPolarHBondContact OG-CB 3.29Å; S27-R57 WeakPolarHBondContact OG-CG 3.34Å; S27-R57 PolarHBondContact OG-O 3.06Å; S27-R57 VanDerWaalsContact OG-O 3.11Å; R57-V59 PolarHBondContact O-N 3.43Å
58A90.9Very high91.8Very high18 Ų1831 Ų3115%0.14917%0.173CC..  trans-82.355.3-174.700000111.7V15 I56 G60 R61 M62V15-A58 HydrophobicContact CG1-CB 3.93Å; V15-A58 CarbonylContact O-C 3.05Å; V15-A58 WeakPolarHBondContact O-CA 3.42Å; I56-A58 VanDerWaalsContact C-N 3.29Å; I56-A58 HydrophobicContact CG2-CB 3.97Å; I56-A58 PolarHBondContact O-N 2.94Å; A58-G60 PolarHBondContact O-N 3.3Å; A58-R61 HydrophobicContact CB-CB 4.46Å; A58-R61 PolarHBondContact O-N 3.3Å; A58-M62 VanDerWaalsContact O-CG 3.26Å; A58-M62 WeakPolarHBondContact O-CG 3.44Å; A58-M62 PolarHBondContact O-N 3.09Å
59V92.5Very high92Very high0 Ų030.1 Ų30.10%017%0.168CC..Hα-helixtrans-56.6-47.5-172.5-178.70000111.3V15 L25 T51 I53 R57 R61 M62 T63V15-V59 PolarHBondContact O-N 3.02Å; L25-V59 HydrophobicContact CB-CG1 3.77Å; L25-V59 HydrophobicContact CD1-CG1 4.11Å; T51-V59 HydrophobicContact CG2-CG1 3.9Å; T51-V59 HydrophobicContact CG2-CG2 3.99Å; T51-V59 WeakPolarHBondContact O-CG2 3.46Å; I53-V59 HydrophobicContact CG1-CB 4.41Å; I53-V59 HydrophobicContact CG1-CG1 4.02Å; I53-V59 HydrophobicContact CG1-CG2 4.24Å; R57-V59 PolarHBondContact O-N 3.43Å; V59-R61 VanDerWaalsContact C-N 3.27Å; V59-R61 PolarHBondContact O-N 2.78Å; V59-M62 PolarHBondContact O-N 2.99Å; V59-T63 HydrophobicContact CG1-CG2 4.13Å; V59-T63 PolarHBondContact O-N 2.99Å; V59-T63 PolarHBondContact O-OG1 2.65Å; V59-T63 VanDerWaalsContact O-OG1 3.05Å
60G92Very high92.2Very high7 Ų729.7 Ų29.77%0.07217%0.166CC..Hα-helixtrans-65.9-24.9-176.500000114.9G14 V15 S17 A58G14-G60 WeakPolarHBondContact O-CA 2.91Å; V15-G60 PolarHBondContact O-N 3.22Å; V15-G60 VanDerWaalsContact O-N 3.09Å; S17-G60 WeakPolarHBondContact O-CA 3.21Å; A58-G60 PolarHBondContact O-N 3.3Å
61R92.5Very high92.4Very high89 Ų8926.9 Ų26.934%0.33615%0.151SC..Hα-helixtrans-81.6-26.3172.5-71.9-169.5172.9144.72.6113.5V15 A58 V59 A103 G105 N106V15-R61 HydrophobicContact CB-CG 4.46Å; V15-R61 HydrophobicContact CG1-CG 4.08Å; V15-R61 HydrophobicContact CG2-CG 4.41Å; V15-R61 VanDerWaalsContact CG2-CZ 3.41Å; V15-R61 VanDerWaalsContact CG2-NH2 3.32Å; A58-R61 HydrophobicContact CB-CB 4.46Å; A58-R61 PolarHBondContact O-N 3.3Å; V59-R61 VanDerWaalsContact C-N 3.27Å; V59-R61 PolarHBondContact O-N 2.78Å; R61-A103 CarbonylContact O-C 3.49Å; R61-A103 VanDerWaalsContact O-C 3.26Å; R61-A103 WeakPolarHBondContact O-CA 3.47Å; R61-G105 VanDerWaalsContact O-CA 3.24Å; R61-G105 WeakPolarHBondContact O-CA 3.36Å; R61-G105 PolarHBondContact O-N 2.83Å; R61-N106 WeakPolarHBondContact CG-OD1 3.33Å; R61-N106 PolarHBondContact O-N 2.9Å
62M93.7Very high92.5Very high18 Ų1826.7 Ų26.79%0.08915%0.149CC..Hα-helixtrans-91-29.3-174.8-62.9-63.7-73.300111.5I53 A58 V59 P73 S102 A103 L104I53-M62 HydrophobicContact CB-CB 4.03Å; I53-M62 HydrophobicContact CB-CG 4.46Å; I53-M62 HydrophobicContact CG2-CB 3.66Å; I53-M62 HydrophobicContact CG2-CE 4.48Å; I53-M62 HydrophobicContact CG2-CG 4.29Å; A58-M62 VanDerWaalsContact O-CG 3.26Å; A58-M62 WeakPolarHBondContact O-CG 3.44Å; A58-M62 PolarHBondContact O-N 3.09Å; V59-M62 PolarHBondContact O-N 2.99Å; M62-P73 HydrophobicContact CB-CG 4.39Å; M62-P73 HydrophobicContact CE-CB 4.4Å; M62-P73 HydrophobicContact CE-CG 3.69Å; M62-P73 WeakPolarHBondContact O-CD 3.37Å; M62-S102 WeakPolarHBondContact CE-O 3.46Å; M62-A103 HydrophobicContact SD-CB 4.24Å; M62-L104 WeakPolarHBondContact O-CB 3.37Å
63T94.1Very high92.6Very high0 Ų025 Ų250%014%0.139CC..  trans-110.6151.2-173.968.10000113L25 I53 V59 L71 V72L25-T63 HydrophobicContact CD1-CG2 4.37Å; I53-T63 HydrophobicContact CD1-CG2 3.66Å; I53-T63 HydrophobicContact CG1-CG2 3.65Å; V59-T63 HydrophobicContact CG1-CG2 4.13Å; V59-T63 PolarHBondContact O-N 2.99Å; V59-T63 PolarHBondContact O-OG1 2.65Å; V59-T63 VanDerWaalsContact O-OG1 3.05Å; T63-L71 WeakPolarHBondContact CA-O 3.42Å; T63-V72 HydrophobicContact CG2-CG1 3.96Å
64V94Very high92.6Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-132.3130.4174.9178.50000106.4L71 L104 I108 C110 L133V64-L71 HydrophobicContact CB-CB 4.4Å; V64-L71 PolarHBondContact N-O 3.09Å; V64-L71 PolarHBondContact O-N 2.83Å; V64-L104 HydrophobicContact CG2-CB 3.67Å; V64-L104 VanDerWaalsContact CG2-O 3.23Å; V64-L104 WeakPolarHBondContact CG2-O 3.11Å; V64-I108 HydrophobicContact CG1-CB 4.09Å; V64-I108 HydrophobicContact CG1-CG2 3.7Å; V64-I108 HydrophobicContact CG2-CB 3.84Å; V64-I108 HydrophobicContact CG2-CD1 4.29Å; V64-I108 HydrophobicContact CG2-CG2 4.39Å; V64-C110 HydrophobicContact CG1-CB 4.29Å; V64-C110 WeakPolarHBondContact CG1-SG 3.47Å; V64-L133 HydrophobicContact CG1-CD1 4.02Å
65G92.8Very high92.7Very high5 Ų531 Ų315%0.05217%0.167CC..EExtended strand (participates in β ladder)trans-157.5152-17700000111.5T20 Y23 G69 C110T20-G65 WeakPolarHBondContact CG2-O 3.06Å; Y23-G65 WeakPolarHBondContact OH-CA 3.34Å; G65-G69 WeakPolarHBondContact CA-O 3.3Å; G65-C110 PolarHBondContact O-SG 2.82Å
66N93.2Very high92.9Very high4 Ų428.4 Ų28.42%0.02114%0.14CC..  trans-134-166.3173.573.6-7.8000108.7Y23 H68 G69 N111 D112 L133 V135Y23-N66 WeakPolarHBondContact CE1-O 3.42Å; Y23-N66 PolarHBondContact OH-O 3.47Å; N66-H68 PolarHBondContact O-N 3.04Å; N66-H68 WeakPolarHBondContact OD1-CA 3.31Å; N66-H68 WeakPolarHBondContact OD1-CB 3.24Å; N66-H68 PolarHBondContact OD1-N 3.47Å; N66-G69 PolarHBondContact N-O 3.03Å; N66-G69 PolarHBondContact OD1-N 2.73Å; N66-G69 PolarHBondContact OD1-O 3.12Å; N66-N111 WeakPolarHBondContact CB-O 3.17Å; N66-N111 PolarHBondContact ND2-O 3.2Å; N66-D112 WeakPolarHBondContact CB-OD1 3.14Å; N66-L133 PolarHBondContact ND2-O 3.35Å; N66-L133 WeakPolarHBondContact OD1-CD2 3.47Å; N66-V135 WeakPolarHBondContact ND2-CG1 3.38Å
67T91.5Very high93.1Very high19 Ų1927.4 Ų27.412%0.11714%0.138CC..SBendtrans-64.2-22.5178.452.40000114.7N21 N22 D112N21-T67 HydrophobicContact CB-CG2 3.52Å; N22-T67 WeakPolarHBondContact ND2-CB 3.24Å; N22-T67 PolarHBondContact ND2-O 3.36Å; N22-T67 VanDerWaalsContact ND2-O 3.1Å; T67-D112 WeakPolarHBondContact CB-OD1 3.48Å; T67-D112 VanDerWaalsContact CG2-OD1 3.24Å; T67-D112 WeakPolarHBondContact CG2-OD1 3.37Å; T67-D112 VanDerWaalsContact CG2-OD2 3.28Å; T67-D112 WeakPolarHBondContact CG2-OD2 3.27Å; T67-D112 PolarHBondContact N-OD1 3.4Å; T67-D112 PolarHBondContact OG1-OD1 3.45Å
68H93.2Very high93.2Very high71 Ų7127 Ų2733%0.32915%0.145SC..SBendtrans-98.5-32.7-171.9-58.5-51.1000113.3N66 V92 K93 L133 N134N66-H68 PolarHBondContact O-N 3.04Å; N66-H68 WeakPolarHBondContact OD1-CA 3.31Å; N66-H68 WeakPolarHBondContact OD1-CB 3.24Å; N66-H68 PolarHBondContact OD1-N 3.47Å; H68-V92 WeakPolarHBondContact O-CA 3.39Å; H68-K93 PolarHBondContact O-N 2.98Å; H68-L133 WeakPolarHBondContact CB-O 3.48Å; H68-L133 PolarHBondContact CD2-O 2.8Å; H68-L133 VanDerWaalsContact CD2-O 3.27Å; H68-N134 HydrophobicContact CB-CB 4.27Å
69G93.6Very high93.3Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-154.2164-173.600000114.3Y23 G65 N66 K93 L133Y23-G69 PolarHBondContact OH-O 2.8Å; G65-G69 WeakPolarHBondContact CA-O 3.3Å; N66-G69 PolarHBondContact N-O 3.03Å; N66-G69 PolarHBondContact OD1-N 2.73Å; N66-G69 PolarHBondContact OD1-O 3.12Å; G69-K93 CarbonylContact C-O 3.58Å; G69-K93 VanDerWaalsContact CA-O 3.3Å; G69-K93 WeakPolarHBondContact CA-O 3.2Å; G69-L133 WeakPolarHBondContact O-CD2 3.42Å
70L95.1Very high93.4Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-133.1119.4174178.761.7000108.9Y23 L25 V72 L84 V88 V92 K93 V94 V95Y23-L70 HydrophobicContact CE2-CD1 4.21Å; Y23-L70 HydrophobicContact CE2-CD2 4.38Å; Y23-L70 WeakPolarHBondContact OH-CB 3.31Å; L25-L70 HydrophobicContact CD1-CD1 3.69Å; L25-L70 HydrophobicContact CD1-CD2 3.85Å; L25-L70 HydrophobicContact CD1-CG 4.44Å; L25-L70 HydrophobicContact CD2-CD2 4.44Å; L70-V72 HydrophobicContact CD2-CG1 4.39Å; L70-V72 HydrophobicContact CG-CG1 4.17Å; L70-L84 HydrophobicContact CD2-CD1 4.23Å; L70-L84 HydrophobicContact CD2-CD2 4.07Å; L70-V88 HydrophobicContact CD2-CG1 4.3Å; L70-V92 HydrophobicContact CB-CG1 4.1Å; L70-K93 PolarHBondContact N-O 2.91Å; L70-V94 HydrophobicContact CB-CG2 4.29Å; L70-V94 HydrophobicContact CD2-CG1 4.29Å; L70-V94 HydrophobicContact CD2-CG2 4.39Å; L70-V94 HydrophobicContact CG-CG1 4.49Å; L70-V94 WeakPolarHBondContact O-CA 3.31Å; L70-V95 PolarHBondContact O-N 3.15Å
71L94.8Very high93.4Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-98.4129.1175-60.9175.6000109.8T63 V64 V95 V97 L104 L128 V129 V132 L133T63-L71 WeakPolarHBondContact CA-O 3.42Å; V64-L71 HydrophobicContact CB-CB 4.4Å; V64-L71 PolarHBondContact N-O 3.09Å; V64-L71 PolarHBondContact O-N 2.83Å; L71-V95 HydrophobicContact CD2-CB 4.28Å; L71-V97 HydrophobicContact CB-CG2 3.98Å; L71-V97 HydrophobicContact CD2-CG2 3.74Å; L71-V97 HydrophobicContact CG-CG2 4.31Å; L71-L104 HydrophobicContact CB-CD1 4.04Å; L71-L128 HydrophobicContact CD2-CD2 3.49Å; L71-L128 VanDerWaalsContact CD2-CD2 3.49Å; L71-V129 HydrophobicContact CD1-CB 4.16Å; L71-V129 HydrophobicContact CD1-CG1 4.23Å; L71-V129 HydrophobicContact CD1-CG2 3.61Å; L71-V132 HydrophobicContact CD2-CB 3.77Å; L71-V132 HydrophobicContact CD2-CG1 3.59Å; L71-V132 HydrophobicContact CD2-CG2 4.06Å; L71-V132 HydrophobicContact CG-CG1 4.31Å; L71-L133 HydrophobicContact CD1-CD1 4.04Å; L71-L133 HydrophobicContact CD1-CD2 4.41Å; L71-L133 HydrophobicContact CD1-CG 4.07Å; L71-L133 HydrophobicContact CG-CD2 4.25Å; L71-L133 HydrophobicContact CG-CG 4.39Å
72V94.8Very high93.4Very high0 Ų037.6 Ų37.60%020%0.195CC..EExtended strand (participates in β ladder)trans-125.1149.5175.9-61.40000109.8I53 T63 L70 T76 L81 L84 V94 V95 R96 V97I53-V72 HydrophobicContact CD1-CG1 4.24Å; T63-V72 HydrophobicContact CG2-CG1 3.96Å; L70-V72 HydrophobicContact CD2-CG1 4.39Å; L70-V72 HydrophobicContact CG-CG1 4.17Å; V72-T76 HydrophobicContact CB-CG2 4.42Å; V72-T76 HydrophobicContact CG2-CG2 4.33Å; V72-L81 HydrophobicContact CG2-CD1 3.96Å; V72-L84 HydrophobicContact CG1-CD1 3.75Å; V72-V94 HydrophobicContact CG2-CG1 4.48Å; V72-V95 WeakPolarHBondContact CG2-O 3.32Å; V72-V95 PolarHBondContact N-O 3.1Å; V72-R96 HydrophobicContact CG2-CG 3.76Å; V72-R96 CarbonylContact O-C 3.57Å; V72-R96 WeakPolarHBondContact O-CA 3.35Å; V72-V97 PolarHBondContact O-N 2.93Å
73P94.6Very high93.4Very high3 Ų340.6 Ų40.62%0.01921%0.208CC..EExtended strand (participates in β ladder)trans-71.2157.6-178.728.5-34.4000111.6I53 M62 S75 T76 S102I53-P73 HydrophobicContact CG2-CG 3.67Å; M62-P73 HydrophobicContact CB-CG 4.39Å; M62-P73 HydrophobicContact CE-CB 4.4Å; M62-P73 HydrophobicContact CE-CG 3.69Å; M62-P73 WeakPolarHBondContact O-CD 3.37Å; P73-S75 PolarHBondContact O-N 3.08Å; P73-S75 VanDerWaalsContact O-N 3.11Å; P73-T76 WeakPolarHBondContact CD-OG1 3.41Å; P73-T76 VanDerWaalsContact O-CB 3.24Å; P73-T76 WeakPolarHBondContact O-CB 3.45Å; P73-T76 PolarHBondContact O-N 3.27Å; P73-T76 PolarHBondContact O-OG1 3.09Å; P73-S102 VanDerWaalsContact CB-O 3.3Å; P73-S102 WeakPolarHBondContact CB-O 3.42Å
74H92.7Very high93.4Very high105 Ų10540.6 Ų40.649%0.48621%0.208SC..THydrogen-bonded Turntrans-55.4-28.2174.9-179.788.9000113.6T76 V97 E98H74-T76 PolarHBondContact O-N 3.08Å; H74-T76 VanDerWaalsContact O-N 3.15Å; H74-V97 WeakPolarHBondContact CB-O 3.41Å; H74-V97 PolarHBondContact N-O 2.9Å; H74-E98 IonicContact CE1-OE1 2.97Å; H74-E98 IonicContact ND1-OE1 2.7Å
75S92.1Very high93.3Very high54 Ų5443.9 Ų43.938%0.37823%0.229SC..THydrogen-bonded Turntrans-67-8.9176.456.90000114.4A54 P73A54-S75 WeakPolarHBondContact CA-O 3.47Å; A54-S75 VanDerWaalsContact CB-O 3.22Å; A54-S75 WeakPolarHBondContact CB-O 3.43Å; A54-S75 WeakPolarHBondContact CB-OG 3.32Å; P73-S75 PolarHBondContact O-N 3.08Å; P73-S75 VanDerWaalsContact O-N 3.11Å
76T92.8Very high93.2Very high3 Ų349.2 Ų49.22%0.01826%0.256CS..SBendtrans-67.3129.6177.8-49.90000110.2I53 V72 P73 H74 E80I53-T76 HydrophobicContact CD1-CG2 4.37Å; V72-T76 HydrophobicContact CB-CG2 4.42Å; V72-T76 HydrophobicContact CG2-CG2 4.33Å; P73-T76 WeakPolarHBondContact CD-OG1 3.41Å; P73-T76 VanDerWaalsContact O-CB 3.24Å; P73-T76 WeakPolarHBondContact O-CB 3.45Å; P73-T76 PolarHBondContact O-N 3.27Å; P73-T76 PolarHBondContact O-OG1 3.09Å; H74-T76 PolarHBondContact O-N 3.08Å; H74-T76 VanDerWaalsContact O-N 3.15Å; T76-E80 HydrophobicContact CG2-CB 3.73Å
77T93.7Very high93.1Very high64 Ų6451 Ų5139%0.39327%0.269SS..  trans-69.9153.3-179.165.30000111.4Q79 E80 L81T77-Q79 PolarHBondContact O-N 2.92Å; T77-E80 PolarHBondContact N-OE2 2.98Å; T77-E80 PolarHBondContact O-N 3.33Å; T77-E80 WeakPolarHBondContact OG1-CB 3.32Å; T77-E80 VanDerWaalsContact OG1-CD 3.23Å; T77-E80 WeakPolarHBondContact OG1-CG 3.35Å; T77-E80 PolarHBondContact OG1-N 3.3Å; T77-E80 PolarHBondContact OG1-OE2 3.48Å; T77-L81 WeakPolarHBondContact O-CB 3.47Å; T77-L81 PolarHBondContact O-N 3.27Å
78D92.9Very high93.1Very high108 Ų10850.4 Ų50.458%0.57827%0.265SS*.Hα-helixtrans-61.3-30.2177.9-63.8-44.2000112.2M82 R96D78-M82 WeakPolarHBondContact O-CB 3.39Å; D78-M82 PolarHBondContact O-N 3Å; D78-R96 IonicContact OD1-CZ 3.12Å; D78-R96 VanDerWaalsContact OD1-CZ 3.23Å; D78-R96 IonicContact OD1-NH1 3.84Å; D78-R96 PolarHBondContact OD1-NH1 2.88Å; D78-R96 IonicContact OD1-NH2 3.63Å; D78-R96 PolarHBondContact OD1-NH2 2.96Å
79Q93.3Very high92.9Very high166 Ų16648.9 Ų48.978%0.77626%0.262SS*.Hα-helixtrans-67.9-46.7175-69.6-176-17.800112T77 L81 M82 H83T77-Q79 PolarHBondContact O-N 2.92Å; Q79-L81 VanDerWaalsContact C-N 3.31Å; Q79-L81 PolarHBondContact O-N 2.94Å; Q79-M82 PolarHBondContact O-N 3.45Å; Q79-H83 WeakPolarHBondContact O-CB 3.07Å; Q79-H83 PolarHBondContact O-N 3.47Å
80E93.4Very high92.5Very high17 Ų1757 Ų578%0.07931%0.305CS..Hα-helixtrans-61.4-41.3174.4-72.3165.2154.600110.8T52 I53 A54 G55 T76 T77 H83 L84T52-E80 WeakPolarHBondContact CB-OE1 3.49Å; T52-E80 VanDerWaalsContact O-CG 3.25Å; T52-E80 WeakPolarHBondContact O-CG 3.24Å; T52-E80 PolarHBondContact OG1-OE1 3.4Å; I53-E80 PolarHBondContact N-OE1 2.95Å; A54-E80 PolarHBondContact N-OE1 2.77Å; A54-E80 PolarHBondContact N-OE2 2.77Å; G55-E80 PolarHBondContact N-OE1 3.46Å; T76-E80 HydrophobicContact CG2-CB 3.73Å; T77-E80 PolarHBondContact N-OE2 2.98Å; T77-E80 PolarHBondContact O-N 3.33Å; T77-E80 WeakPolarHBondContact OG1-CB 3.32Å; T77-E80 VanDerWaalsContact OG1-CD 3.23Å; T77-E80 WeakPolarHBondContact OG1-CG 3.35Å; T77-E80 PolarHBondContact OG1-N 3.3Å; T77-E80 PolarHBondContact OG1-OE2 3.48Å; E80-H83 PolarHBondContact O-N 3.48Å; E80-L84 WeakPolarHBondContact O-CB 3.37Å; E80-L84 VanDerWaalsContact O-CG 3.32Å; E80-L84 WeakPolarHBondContact O-CG 3.25Å; E80-L84 PolarHBondContact O-N 2.97Å
81L92.5Very high92.2Very high29 Ų2965.7 Ų65.715%0.15234%0.343CS..Hα-helixtrans-64.1-44.1178.1-175.467.3000112.2V72 T77 Q79 L84 T85 V94 R96V72-L81 HydrophobicContact CG2-CD1 3.96Å; T77-L81 WeakPolarHBondContact O-CB 3.47Å; T77-L81 PolarHBondContact O-N 3.27Å; Q79-L81 VanDerWaalsContact C-N 3.31Å; Q79-L81 PolarHBondContact O-N 2.94Å; L81-L84 PolarHBondContact O-N 3.48Å; L81-T85 WeakPolarHBondContact O-CB 3.33Å; L81-T85 PolarHBondContact O-N 2.9Å; L81-T85 PolarHBondContact O-OG1 2.69Å; L81-V94 HydrophobicContact CD1-CG1 3.64Å; L81-R96 HydrophobicContact CD1-CG 4.06Å; L81-R96 HydrophobicContact CD2-CG 3.99Å
82M93.4Very high92Very high124 Ų12466.1 Ų66.161%0.61135%0.345SS*.Hα-helixtrans-64.1-41.7176.4-174.8177.3-176.500111.2D78 Q79 T85 N86D78-M82 WeakPolarHBondContact O-CB 3.39Å; D78-M82 PolarHBondContact O-N 3Å; Q79-M82 PolarHBondContact O-N 3.45Å; M82-T85 PolarHBondContact O-N 2.92Å; M82-N86 WeakPolarHBondContact O-CB 3.49Å; M82-N86 VanDerWaalsContact O-CG 3.24Å; M82-N86 PolarHBondContact O-N 2.87Å; M82-N86 PolarHBondContact O-ND2 2.94Å
83H93.4Very high91.8Very high80 Ų8072.2 Ų72.237%0.3737%0.372SS..Hα-helixtrans-60.2-47.3175.417857.9000112.1D50 Q79 E80 N86 S87D50-H83 PolarHBondContact O-NE2 3.41Å; Q79-H83 WeakPolarHBondContact O-CB 3.07Å; Q79-H83 PolarHBondContact O-N 3.47Å; E80-H83 PolarHBondContact O-N 3.48Å; H83-N86 PolarHBondContact O-N 2.85Å; H83-S87 PolarHBondContact CE1-OG 2.69Å; H83-S87 VanDerWaalsContact O-CB 3.25Å; H83-S87 WeakPolarHBondContact O-CB 3.41Å; H83-S87 PolarHBondContact O-N 3.05Å; H83-S87 VanDerWaalsContact O-N 3.09Å; H83-S87 PolarHBondContact O-OG 2.84Å
84L93.2Very high91.8Very high0 Ų073.3 Ų73.30%038%0.379CS..Hα-helixtrans-59.4-51.3176.1-74.6171.8000111.2L25 T51 I53 L70 V72 E80 L81 N86 S87 V88 V94L25-L84 HydrophobicContact CD2-CD2 3.73Å; T51-L84 HydrophobicContact CG2-CD2 4.08Å; I53-L84 HydrophobicContact CD1-CD1 3.92Å; L70-L84 HydrophobicContact CD2-CD1 4.23Å; L70-L84 HydrophobicContact CD2-CD2 4.07Å; V72-L84 HydrophobicContact CG1-CD1 3.75Å; E80-L84 WeakPolarHBondContact O-CB 3.37Å; E80-L84 VanDerWaalsContact O-CG 3.32Å; E80-L84 WeakPolarHBondContact O-CG 3.25Å; E80-L84 PolarHBondContact O-N 2.97Å; L81-L84 PolarHBondContact O-N 3.48Å; L84-N86 VanDerWaalsContact C-N 3.26Å; L84-N86 PolarHBondContact O-N 3.2Å; L84-S87 PolarHBondContact O-N 3.27Å; L84-V88 WeakPolarHBondContact O-CG2 3.4Å; L84-V88 PolarHBondContact O-N 2.89Å; L84-V94 HydrophobicContact CB-CG1 4.31Å
85T91.5Very high91.8Very high69 Ų6970.4 Ų70.442%0.42337%0.368SS..Hα-helixtrans-59.8-35.9-177-52.90000112.4L81 M82L81-T85 WeakPolarHBondContact O-CB 3.33Å; L81-T85 PolarHBondContact O-N 2.9Å; L81-T85 PolarHBondContact O-OG1 2.69Å; M82-T85 PolarHBondContact O-N 2.92Å
86N92.4Very high91.9Very high117 Ų11772.2 Ų72.263%0.62637%0.367SS*.Hα-helixtrans-80.9-20178.4-67.6-25.2000113.7M82 H83 L84M82-N86 WeakPolarHBondContact O-CB 3.49Å; M82-N86 VanDerWaalsContact O-CG 3.24Å; M82-N86 PolarHBondContact O-N 2.87Å; M82-N86 PolarHBondContact O-ND2 2.94Å; H83-N86 PolarHBondContact O-N 2.85Å; L84-N86 VanDerWaalsContact C-N 3.26Å; L84-N86 PolarHBondContact O-N 3.2Å
87S90.8Very high91.8Very high43 Ų4372.1 Ų72.130%0.30137%0.366SS..Hα-helixtrans-101.7-28.3-173.7-55.80000112.9I49 H83 L84I49-S87 WeakPolarHBondContact CD1-O 3.28Å; H83-S87 PolarHBondContact CE1-OG 2.69Å; H83-S87 VanDerWaalsContact O-CB 3.25Å; H83-S87 WeakPolarHBondContact O-CB 3.41Å; H83-S87 PolarHBondContact O-N 3.05Å; H83-S87 VanDerWaalsContact O-N 3.09Å; H83-S87 PolarHBondContact O-OG 2.84Å; L84-S87 PolarHBondContact O-N 3.27Å
88V90.7Very high91.5Very high5 Ų576.4 Ų76.43%0.0338%0.382CS..SBendtrans-75.3153.6173-67.10000110.6Y23 I49 L70 L84 V92 V94Y23-V88 HydrophobicContact CD2-CG1 4.21Å; Y23-V88 HydrophobicContact CE2-CG1 4.48Å; Y23-V88 HydrophobicContact CG-CG1 4.31Å; I49-V88 HydrophobicContact CD1-CB 4.33Å; I49-V88 HydrophobicContact CD1-CG1 3.51Å; L70-V88 HydrophobicContact CD2-CG1 4.3Å; L84-V88 WeakPolarHBondContact O-CG2 3.4Å; L84-V88 PolarHBondContact O-N 2.89Å; V88-V92 HydrophobicContact CB-CB 4.29Å; V88-V92 HydrophobicContact CB-CG1 4.49Å; V88-V92 HydrophobicContact CG2-CB 4.27Å; V88-V92 HydrophobicContact CG2-CG1 4.49Å; V88-V94 HydrophobicContact CG2-CG2 3.48Å; V88-V94 VanDerWaalsContact CG2-CG2 3.48Å
89P89.3Confident91.3Very high40 Ų4072.4 Ų72.426%0.2636%0.36SS..  trans-57142.1174.3-23.633.2000112P47 K91 V92P47-P89 HydrophobicContact CG-CG 4.22Å; P89-K91 PolarHBondContact O-N 3.39Å; P89-V92 HydrophobicContact CB-CG2 4.26Å; P89-V92 HydrophobicContact CG-CG2 4.38Å; P89-V92 WeakPolarHBondContact O-CB 3.24Å; P89-V92 PolarHBondContact O-N 2.9Å
90D84.3Confident90.9Very high170 Ų17075.3 Ų75.391%0.90936%0.363SS*.THydrogen-bonded Turntrans-54.8-21.2-176.4-63.8-29.5000115V92D90-V92 VanDerWaalsContact C-N 3.31Å
91K88.7Confident90.5Very high182 Ų18277.3 Ų77.379%0.79137%0.374SS*.THydrogen-bonded Turntrans-74.8-21.2177.3-64.5-178.6-178.3176.60113P89P89-K91 PolarHBondContact O-N 3.39Å
92V90.8Very high90Very high9 Ų978.6 Ų78.66%0.05539%0.386CS..SBendtrans-86116.5-174.5-178.20000109.3Y23 H68 L70 V88 P89 D90 V94Y23-V92 HydrophobicContact CD1-CG1 4.47Å; Y23-V92 HydrophobicContact CD1-CG2 3.95Å; Y23-V92 HydrophobicContact CE1-CB 4.36Å; Y23-V92 HydrophobicContact CE1-CG1 3.68Å; Y23-V92 HydrophobicContact CE1-CG2 3.77Å; H68-V92 WeakPolarHBondContact O-CA 3.39Å; L70-V92 HydrophobicContact CB-CG1 4.1Å; V88-V92 HydrophobicContact CB-CB 4.29Å; V88-V92 HydrophobicContact CB-CG1 4.49Å; V88-V92 HydrophobicContact CG2-CB 4.27Å; V88-V92 HydrophobicContact CG2-CG1 4.49Å; P89-V92 HydrophobicContact CB-CG2 4.26Å; P89-V92 HydrophobicContact CG-CG2 4.38Å; P89-V92 WeakPolarHBondContact O-CB 3.24Å; P89-V92 PolarHBondContact O-N 2.9Å; D90-V92 VanDerWaalsContact C-N 3.31Å; V92-V94 PolarHBondContact O-N 2.89Å
93K92.2Very high89.9Confident129 Ų12974 Ų7456%0.56137%0.367SS*.EExtended strand (participates in β ladder)trans-78.2115.5175.2-65.5177.9-174.5171.20110.2H68 G69 L70 V132H68-K93 PolarHBondContact O-N 2.98Å; G69-K93 CarbonylContact C-O 3.58Å; G69-K93 VanDerWaalsContact CA-O 3.3Å; G69-K93 WeakPolarHBondContact CA-O 3.2Å; L70-K93 PolarHBondContact N-O 2.91Å; K93-V132 HydrophobicContact CB-CG1 4.23Å
94V93.7Very high89.8Confident26 Ų2670.2 Ų70.216%0.15835%0.35CS..EExtended strand (participates in β ladder)trans-93.1118172.8-169.40000109.5L70 V72 L81 L84 V88 V92L70-V94 HydrophobicContact CB-CG2 4.29Å; L70-V94 HydrophobicContact CD2-CG1 4.29Å; L70-V94 HydrophobicContact CD2-CG2 4.39Å; L70-V94 HydrophobicContact CG-CG1 4.49Å; L70-V94 WeakPolarHBondContact O-CA 3.31Å; V72-V94 HydrophobicContact CG2-CG1 4.48Å; L81-V94 HydrophobicContact CD1-CG1 3.64Å; L84-V94 HydrophobicContact CB-CG1 4.31Å; V88-V94 HydrophobicContact CG2-CG2 3.48Å; V88-V94 VanDerWaalsContact CG2-CG2 3.48Å; V92-V94 PolarHBondContact O-N 2.89Å
95V93.2Very high89.8Confident43 Ų4370.5 Ų70.526%0.26135%0.353SS..EExtended strand (participates in β ladder)trans-129.3136.6-177.5179.10000111.1L70 L71 V72 L128 V132L70-V95 PolarHBondContact O-N 3.15Å; L71-V95 HydrophobicContact CD2-CB 4.28Å; V72-V95 WeakPolarHBondContact CG2-O 3.32Å; V72-V95 PolarHBondContact N-O 3.1Å; V95-L128 HydrophobicContact CG1-CD1 4.16Å; V95-L128 HydrophobicContact CG1-CD2 4.05Å; V95-L128 HydrophobicContact CG1-CG 4.4Å; V95-V132 HydrophobicContact CB-CG1 4.28Å; V95-V132 HydrophobicContact CB-CG2 3.91Å; V95-V132 HydrophobicContact CG1-CG2 4.24Å; V95-V132 HydrophobicContact CG2-CG1 4.05Å; V95-V132 HydrophobicContact CG2-CG2 3.62Å
96R93Very high89.9Confident93 Ų9368.8 Ų68.835%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-82.1130.8169.4-76.5-169.9-69.7-161.7-11110.2V72 D78 L81V72-R96 HydrophobicContact CG2-CG 3.76Å; V72-R96 CarbonylContact O-C 3.57Å; V72-R96 WeakPolarHBondContact O-CA 3.35Å; D78-R96 IonicContact OD1-CZ 3.12Å; D78-R96 VanDerWaalsContact OD1-CZ 3.23Å; D78-R96 IonicContact OD1-NH1 3.84Å; D78-R96 PolarHBondContact OD1-NH1 2.88Å; D78-R96 IonicContact OD1-NH2 3.63Å; D78-R96 PolarHBondContact OD1-NH2 2.96Å; L81-R96 HydrophobicContact CD1-CG 4.06Å; L81-R96 HydrophobicContact CD2-CG 3.99Å
97V91.2Very high89.9Confident1 Ų163.4 Ų63.41%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-103.6123.8179.4-171.40000109.9L71 V72 H74 E99 L104 T125 L128L71-V97 HydrophobicContact CB-CG2 3.98Å; L71-V97 HydrophobicContact CD2-CG2 3.74Å; L71-V97 HydrophobicContact CG-CG2 4.31Å; V72-V97 PolarHBondContact O-N 2.93Å; H74-V97 WeakPolarHBondContact CB-O 3.41Å; H74-V97 PolarHBondContact N-O 2.9Å; V97-E99 VanDerWaalsContact C-N 3.27Å; V97-E99 HydrophobicContact CG1-CB 3.84Å; V97-E99 PolarHBondContact O-N 3.48Å; V97-E99 VanDerWaalsContact O-N 3.1Å; V97-L104 HydrophobicContact CB-CD1 4.01Å; V97-L104 HydrophobicContact CG1-CD2 4.47Å; V97-L104 HydrophobicContact CG2-CD1 3.85Å; V97-T125 HydrophobicContact CG1-CG2 3.52Å; V97-L128 HydrophobicContact CG2-CD2 3.74Å
98E88.5Confident90.1Very high154 Ų15461.4 Ų61.472%0.7230%0.298SS*.  trans-83.372.3172.6-60.9-161.9162.700110.4H74H74-E98 IonicContact CE1-OE1 2.97Å; H74-E98 IonicContact ND1-OE1 2.7Å
99E87.3Confident90.3Very high24 Ų2461.4 Ų61.411%0.11230%0.299CS..  trans-114.3142.9-179.9-178.950.8-115.400110.4V97 L101 L104 L121 T125V97-E99 VanDerWaalsContact C-N 3.27Å; V97-E99 HydrophobicContact CG1-CB 3.84Å; V97-E99 PolarHBondContact O-N 3.48Å; V97-E99 VanDerWaalsContact O-N 3.1Å; E99-L101 HydrophobicContact CG-CB 4.2Å; E99-L101 PolarHBondContact O-N 2.75Å; E99-L101 PolarHBondContact OE1-N 3.26Å; E99-L104 HydrophobicContact CB-CD2 4.22Å; E99-L104 HydrophobicContact CG-CD2 4.33Å; E99-L121 VanDerWaalsContact CD-CD1 3.4Å; E99-L121 HydrophobicContact CG-CD1 3.8Å; E99-L121 VanDerWaalsContact OE2-CD1 3.25Å; E99-L121 WeakPolarHBondContact OE2-CD1 3.15Å; E99-T125 HydrophobicContact CB-CG2 4.33Å; E99-T125 HydrophobicContact CG-CG2 4.38Å; E99-T125 WeakPolarHBondContact OE2-CB 3.42Å; E99-T125 PolarHBondContact OE2-OG1 2.99Å
100R86.3Confident90.5Very high226 Ų22660 Ų6085%0.85329%0.29SS*.SBendtrans-62.9-37176.8179.3179.2173.2170.7-0.3111.1S102R100-S102 PolarHBondContact O-N 2.71Å
101L84.7Confident90.9Very high59 Ų5952.3 Ų52.331%0.30925%0.249SC..  trans-85.3100.8176-61.1178000110.3E99 A103 I107E99-L101 HydrophobicContact CG-CB 4.2Å; E99-L101 PolarHBondContact O-N 2.75Å; E99-L101 PolarHBondContact OE1-N 3.26Å; L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 3.06Å; L101-I107 HydrophobicContact CB-CD1 4.17Å; L101-I107 HydrophobicContact CD1-CD1 4.46Å; L101-I107 HydrophobicContact CD1-CG2 4Å
102S82.3Confident91.1Very high56 Ų5644.5 Ų44.539%0.39222%0.216SC..  trans-69.6-20.7-176.5-42.10000114.5M62 P73 R100 L104M62-S102 WeakPolarHBondContact CE-O 3.46Å; P73-S102 VanDerWaalsContact CB-O 3.3Å; P73-S102 WeakPolarHBondContact CB-O 3.42Å; R100-S102 PolarHBondContact O-N 2.71Å; S102-L104 PolarHBondContact O-N 2.83Å; S102-L104 VanDerWaalsContact O-N 3.16Å
103A90.3Very high91.2Very high27 Ų2751.4 Ų51.422%0.22324%0.242CC..  trans-89.970.3-177.900000111.2R61 M62 L101 G105 N106R61-A103 CarbonylContact O-C 3.49Å; R61-A103 VanDerWaalsContact O-C 3.26Å; R61-A103 WeakPolarHBondContact O-CA 3.47Å; M62-A103 HydrophobicContact SD-CB 4.24Å; L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 3.06Å; A103-G105 PolarHBondContact O-N 3.21Å; A103-N106 HydrophobicContact CB-CB 4.2Å; A103-N106 WeakPolarHBondContact O-CB 3.43Å; A103-N106 PolarHBondContact O-N 3.19Å
104L92Very high91.3Very high1 Ų145.7 Ų45.71%0.00522%0.218CC..Hα-helixtrans-55.9-38.8-176.6-58.6177.6000111.9M62 V64 L71 V97 E99 S102 N106 I107 I108M62-L104 WeakPolarHBondContact O-CB 3.37Å; V64-L104 HydrophobicContact CG2-CB 3.67Å; V64-L104 VanDerWaalsContact CG2-O 3.23Å; V64-L104 WeakPolarHBondContact CG2-O 3.11Å; L71-L104 HydrophobicContact CB-CD1 4.04Å; V97-L104 HydrophobicContact CB-CD1 4.01Å; V97-L104 HydrophobicContact CG1-CD2 4.47Å; V97-L104 HydrophobicContact CG2-CD1 3.85Å; E99-L104 HydrophobicContact CB-CD2 4.22Å; E99-L104 HydrophobicContact CG-CD2 4.33Å; S102-L104 PolarHBondContact O-N 2.83Å; S102-L104 VanDerWaalsContact O-N 3.16Å; L104-N106 PolarHBondContact O-N 3.16Å; L104-I107 HydrophobicContact CD2-CD1 4.11Å; L104-I107 VanDerWaalsContact O-CG1 3.25Å; L104-I107 WeakPolarHBondContact O-CG1 3.28Å; L104-I107 PolarHBondContact O-N 2.9Å; L104-I107 VanDerWaalsContact O-N 3.09Å; L104-I108 PolarHBondContact O-N 2.8Å
105G92.6Very high91.3Very high6 Ų644.5 Ų44.56%0.06221%0.21CC..Hα-helixtrans-63.4-22.6178.200000114.2R61 A103 G149R61-G105 VanDerWaalsContact O-CA 3.24Å; R61-G105 WeakPolarHBondContact O-CA 3.36Å; R61-G105 PolarHBondContact O-N 2.83Å; A103-G105 PolarHBondContact O-N 3.21Å; G105-G149 CarbonylContact O-C 3.59Å; G105-G149 WeakPolarHBondContact O-CA 3.47Å
106N93.4Very high91.4Very high34 Ų3442.5 Ų42.518%0.18220%0.198CC..Hα-helixtrans-83.2-25.6175.4-69.5-13.7000112.8R61 A103 L104 L147 G149 T150R61-N106 WeakPolarHBondContact CG-OD1 3.33Å; R61-N106 PolarHBondContact O-N 2.9Å; A103-N106 HydrophobicContact CB-CB 4.2Å; A103-N106 WeakPolarHBondContact O-CB 3.43Å; A103-N106 PolarHBondContact O-N 3.19Å; L104-N106 PolarHBondContact O-N 3.16Å; N106-L147 HydrophobicContact CB-CD2 4.49Å; N106-L147 CarbonylContact O-C 3.26Å; N106-L147 VanDerWaalsContact O-C 3.22Å; N106-L147 WeakPolarHBondContact O-CA 3.37Å; N106-L147 WeakPolarHBondContact O-CB 3.43Å; N106-G149 CarbonylContact O-C 2.92Å; N106-G149 WeakPolarHBondContact O-CA 3.37Å; N106-G149 PolarHBondContact O-N 3.44Å; N106-G149 VanDerWaalsContact O-N 3.08Å; N106-T150 WeakPolarHBondContact CB-OG1 3.32Å; N106-T150 PolarHBondContact O-N 2.76Å; N106-T150 PolarHBondContact O-OG1 3.41Å
107I93.5Very high91.4Very high4 Ų438 Ų382%0.02118%0.181CC..Hα-helixtrans-105.6-12.4-171.754.2153.9000113.5L101 L104 R118 L121 L147 V148L101-I107 HydrophobicContact CB-CD1 4.17Å; L101-I107 HydrophobicContact CD1-CD1 4.46Å; L101-I107 HydrophobicContact CD1-CG2 4Å; L104-I107 HydrophobicContact CD2-CD1 4.11Å; L104-I107 VanDerWaalsContact O-CG1 3.25Å; L104-I107 WeakPolarHBondContact O-CG1 3.28Å; L104-I107 PolarHBondContact O-N 2.9Å; L104-I107 VanDerWaalsContact O-N 3.09Å; I107-R118 HydrophobicContact CB-CB 4.34Å; I107-R118 PolarHBondContact O-N 2.81Å; I107-R118 VanDerWaalsContact O-N 3.15Å; I107-L121 HydrophobicContact CD1-CD1 3.64Å; I107-L147 HydrophobicContact CG2-CD2 3.79Å; I107-V148 WeakPolarHBondContact O-CG2 3.48Å
108I94.6Very high91.5Very high0 Ų040.3 Ų40.30%019%0.19CC..EExtended strand (participates in β ladder)trans-129.9127-179.8-54.7165.5000109.3V64 L104 A115 L116 V117 V129V64-I108 HydrophobicContact CG1-CB 4.09Å; V64-I108 HydrophobicContact CG1-CG2 3.7Å; V64-I108 HydrophobicContact CG2-CB 3.84Å; V64-I108 HydrophobicContact CG2-CD1 4.29Å; V64-I108 HydrophobicContact CG2-CG2 4.39Å; L104-I108 PolarHBondContact O-N 2.8Å; I108-A115 HydrophobicContact CG2-CB 4.42Å; I108-L116 WeakPolarHBondContact CA-O 3.02Å; I108-V117 HydrophobicContact CB-CG2 4.47Å; I108-V117 HydrophobicContact CG1-CG1 4.3Å; I108-V117 HydrophobicContact CG1-CG2 4.05Å; I108-V117 HydrophobicContact CG2-CG2 3.98Å; I108-V129 HydrophobicContact CD1-CG2 3.76Å
109A93.8Very high91.6Very high5 Ų535.6 Ų35.64%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-110.2130.316500000108.1A115 L116 C152 L154A109-A115 CarbonylContact O-C 3.59Å; A109-A115 VanDerWaalsContact O-CA 3.31Å; A109-A115 WeakPolarHBondContact O-CA 3.49Å; A109-L116 HydrophobicContact CB-CB 4.41Å; A109-L116 PolarHBondContact N-O 2.98Å; A109-L116 PolarHBondContact O-N 2.77Å; A109-C152 HydrophobicContact CB-CB 4.16Å; A109-L154 HydrophobicContact CB-CD1 4.24Å; A109-L154 HydrophobicContact CB-CG 4.44Å
110C93.7Very high91.6Very high12 Ų1239.3 Ų39.38%0.08119%0.193CC..EExtended strand (participates in β ladder)trans-136.5150.8-176.562.90000111.3V64 G65 A115 L133V64-C110 HydrophobicContact CG1-CB 4.29Å; V64-C110 WeakPolarHBondContact CG1-SG 3.47Å; G65-C110 PolarHBondContact O-SG 2.82Å; C110-A115 HydrophobicContact CB-CB 3.97Å; C110-L133 HydrophobicContact CB-CD1 4.07Å
111N93Very high91.7Very high8 Ų829.2 Ų29.24%0.04316%0.156CC..  trans-119.1-157.5158.667.710.6000108.9N66 Y113 V114 L154 T155 L179N66-N111 WeakPolarHBondContact CB-O 3.17Å; N66-N111 PolarHBondContact ND2-O 3.2Å; N111-Y113 PolarHBondContact OD1-N 2.85Å; N111-V114 PolarHBondContact N-O 3.4Å; N111-V114 VanDerWaalsContact ND2-CG2 3.35Å; N111-V114 WeakPolarHBondContact ND2-CG2 3.17Å; N111-V114 WeakPolarHBondContact OD1-CA 3.48Å; N111-V114 VanDerWaalsContact OD1-CG2 3.24Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.41Å; N111-V114 PolarHBondContact OD1-N 3.2Å; N111-V114 PolarHBondContact OD1-O 3.5Å; N111-L154 HydrophobicContact CB-CB 4.17Å; N111-T155 PolarHBondContact ND2-O 3.25Å; N111-L179 WeakPolarHBondContact ND2-CD1 3.44Å
112D92.7Very high92Very high18 Ų1831 Ų3110%0.09617%0.166CC..SBendtrans-84-6.7179.6-65.4-40000114.3N21 N66 T67 V135 N156N21-D112 PolarHBondContact ND2-OD2 2.86Å; N66-D112 WeakPolarHBondContact CB-OD1 3.14Å; T67-D112 WeakPolarHBondContact CB-OD1 3.48Å; T67-D112 VanDerWaalsContact CG2-OD1 3.24Å; T67-D112 WeakPolarHBondContact CG2-OD1 3.37Å; T67-D112 VanDerWaalsContact CG2-OD2 3.28Å; T67-D112 WeakPolarHBondContact CG2-OD2 3.27Å; T67-D112 PolarHBondContact N-OD1 3.4Å; T67-D112 PolarHBondContact OG1-OD1 3.45Å; D112-V135 WeakPolarHBondContact O-CG1 3.28Å; D112-N156 WeakPolarHBondContact CB-OD1 3.43Å; D112-N156 PolarHBondContact N-OD1 3.01Å; D112-N156 PolarHBondContact OD2-ND2 2.7Å
113Y92.7Very high92.4Very high154 Ų15435.6 Ų35.660%0.60418%0.179SC*.SBendtrans-120.8-35.1-175.5-56.2-64.9000114.3N111 V135 E136 N156N111-Y113 PolarHBondContact OD1-N 2.85Å; Y113-V135 WeakPolarHBondContact O-CA 3.32Å; Y113-V135 WeakPolarHBondContact O-CB 2.98Å; Y113-E136 PolarHBondContact O-N 3.23Å; Y113-N156 HydrophobicContact CD2-CB 4.43Å; Y113-N156 HydrophobicContact CE2-CB 3.93Å
114V94.3Very high92.5Very high9 Ų942 Ų426%0.05520%0.204CC..EExtended strand (participates in β ladder)trans-138.7147.7-171.6-63.10000111.1N111 E136 F138 L177N111-V114 PolarHBondContact N-O 3.4Å; N111-V114 VanDerWaalsContact ND2-CG2 3.35Å; N111-V114 WeakPolarHBondContact ND2-CG2 3.17Å; N111-V114 WeakPolarHBondContact OD1-CA 3.48Å; N111-V114 VanDerWaalsContact OD1-CG2 3.24Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.41Å; N111-V114 PolarHBondContact OD1-N 3.2Å; N111-V114 PolarHBondContact OD1-O 3.5Å; V114-E136 CarbonylContact C-O 3.45Å; V114-E136 VanDerWaalsContact CA-O 3.29Å; V114-E136 WeakPolarHBondContact CA-O 3.45Å; V114-E136 HydrophobicContact CG1-CB 4.47Å; V114-F138 HydrophobicContact CB-CD2 4.43Å; V114-F138 HydrophobicContact CB-CE2 4.21Å; V114-F138 HydrophobicContact CG1-CE2 3.83Å; V114-L177 HydrophobicContact CB-CD2 3.91Å; V114-L177 HydrophobicContact CG1-CD2 4.48Å; V114-L177 HydrophobicContact CG2-CB 4.33Å; V114-L177 HydrophobicContact CG2-CD2 3.63Å
115A94.8Very high92.4Very high0 Ų042.3 Ų42.30%021%0.206CC..EExtended strand (participates in β ladder)trans-130.3128.5171.200000110.8I108 A109 C110 V117 V129 V135 E136 V137 F138I108-A115 HydrophobicContact CG2-CB 4.42Å; A109-A115 CarbonylContact O-C 3.59Å; A109-A115 VanDerWaalsContact O-CA 3.31Å; A109-A115 WeakPolarHBondContact O-CA 3.49Å; C110-A115 HydrophobicContact CB-CB 3.97Å; A115-V117 HydrophobicContact CB-CG2 4.5Å; A115-V129 HydrophobicContact CB-CG1 4.42Å; A115-V135 HydrophobicContact CB-CG2 3.6Å; A115-E136 PolarHBondContact N-O 2.94Å; A115-V137 HydrophobicContact CB-CG2 4.39Å; A115-V137 CarbonylContact O-C 3.47Å; A115-V137 WeakPolarHBondContact O-CA 3.44Å; A115-F138 PolarHBondContact O-N 3.49Å
116L94.1Very high92.5Very high1 Ų143.3 Ų43.31%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-88.7130.2167.2-69-175.9000109.6I108 A109 F138 E140 I142 V148 L154 L177I108-L116 WeakPolarHBondContact CA-O 3.02Å; A109-L116 HydrophobicContact CB-CB 4.41Å; A109-L116 PolarHBondContact N-O 2.98Å; A109-L116 PolarHBondContact O-N 2.77Å; L116-F138 WeakPolarHBondContact CA-O 3.34Å; L116-F138 HydrophobicContact CD2-CB 4Å; L116-E140 HydrophobicContact CD2-CB 4.29Å; L116-E140 HydrophobicContact CD2-CG 4.46Å; L116-I142 HydrophobicContact CD1-CD1 3.89Å; L116-V148 HydrophobicContact CB-CB 4.42Å; L116-V148 HydrophobicContact CB-CG2 4.27Å; L116-V148 WeakPolarHBondContact O-CG2 3.21Å; L116-L154 HydrophobicContact CD1-CD1 4.25Å; L116-L154 HydrophobicContact CG-CD1 4.16Å; L116-L177 HydrophobicContact CD1-CD1 4.02Å; L116-L177 HydrophobicContact CD2-CD1 4.4Å; L116-L177 HydrophobicContact CD2-CD2 3.74Å; L116-L177 HydrophobicContact CD2-CG 4.45Å; L116-L177 HydrophobicContact CG-CD1 4.23Å; L116-L177 HydrophobicContact CG-CD2 4.03Å
117V94.3Very high92.5Very high0 Ų046.1 Ų46.10%022%0.223CC..EExtended strand (participates in β ladder)trans-131.5147.6-175.7179.80000110I108 A115 L121 V126 V137 F138 C139 E140I108-V117 HydrophobicContact CB-CG2 4.47Å; I108-V117 HydrophobicContact CG1-CG1 4.3Å; I108-V117 HydrophobicContact CG1-CG2 4.05Å; I108-V117 HydrophobicContact CG2-CG2 3.98Å; A115-V117 HydrophobicContact CB-CG2 4.5Å; V117-L121 HydrophobicContact CG1-CB 3.89Å; V117-L121 HydrophobicContact CG1-CD2 3.28Å; V117-L121 HydrophobicContact CG1-CG 4.19Å; V117-V126 HydrophobicContact CG1-CG2 4.45Å; V117-V137 HydrophobicContact CB-CG1 3.92Å; V117-V137 HydrophobicContact CG2-CG1 3.38Å; V117-F138 PolarHBondContact N-O 3.19Å; V117-C139 WeakPolarHBondContact O-CA 3.46Å; V117-E140 PolarHBondContact O-N 3.17Å; V117-E140 VanDerWaalsContact O-N 3.09Å
118R93Very high92.5Very high49 Ų4948.1 Ų48.119%0.18523%0.233CC..  trans-57.6135.5172.1179.3177.4171.9173.8-4.4111.2I107 D120 L121 L146I107-R118 HydrophobicContact CB-CB 4.34Å; I107-R118 PolarHBondContact O-N 2.81Å; I107-R118 VanDerWaalsContact O-N 3.15Å; R118-D120 VanDerWaalsContact C-N 3.29Å; R118-D120 HydrophobicContact CG-CB 4.45Å; R118-D120 IonicContact CZ-OD2 3.72Å; R118-D120 IonicContact NE-OD2 3.23Å; R118-D120 PolarHBondContact NE-OD2 2.89Å; R118-D120 VanDerWaalsContact NE-OD2 3.12Å; R118-D120 IonicContact NH2-OD2 3.54Å; R118-D120 PolarHBondContact NH2-OD2 3.28Å; R118-D120 PolarHBondContact O-N 3.21Å; R118-L121 WeakPolarHBondContact O-CB 3.44Å; R118-L121 PolarHBondContact O-N 3.38Å; R118-L146 WeakPolarHBondContact CB-O 3.35Å; R118-L146 HydrophobicContact CG-CB 4.13Å; R118-L146 WeakPolarHBondContact CG-O 3.29Å
119P89.4Confident92.5Very high54 Ų5448.1 Ų48.135%0.35123%0.233SC..THydrogen-bonded Turntrans-64.6-23.8-177.6-23.533.3000116.3L121 C139 E140 V141P119-L121 PolarHBondContact O-N 3.49Å; P119-C139 HydrophobicContact CB-CB 4.45Å; P119-E140 WeakPolarHBondContact CD-O 3.43Å; P119-V141 HydrophobicContact CG-CG2 3.63Å
120D88.4Confident92.5Very high103 Ų10350 Ų5055%0.55125%0.246SC*.THydrogen-bonded Turntrans-83.911.4179.8-56-35.1000113.3R118R118-D120 VanDerWaalsContact C-N 3.29Å; R118-D120 HydrophobicContact CG-CB 4.45Å; R118-D120 IonicContact CZ-OD2 3.72Å; R118-D120 IonicContact NE-OD2 3.23Å; R118-D120 PolarHBondContact NE-OD2 2.89Å; R118-D120 VanDerWaalsContact NE-OD2 3.12Å; R118-D120 IonicContact NH2-OD2 3.54Å; R118-D120 PolarHBondContact NH2-OD2 3.28Å; R118-D120 PolarHBondContact O-N 3.21Å
121L88.6Confident92.6Very high14 Ų1454.9 Ų54.97%0.07327%0.271CS..SBendtrans-76.4143.8-179-158.569.5000111.1E99 I107 V117 R118 P119 T125 V126E99-L121 VanDerWaalsContact CD-CD1 3.4Å; E99-L121 HydrophobicContact CG-CD1 3.8Å; E99-L121 VanDerWaalsContact OE2-CD1 3.25Å; E99-L121 WeakPolarHBondContact OE2-CD1 3.15Å; I107-L121 HydrophobicContact CD1-CD1 3.64Å; V117-L121 HydrophobicContact CG1-CB 3.89Å; V117-L121 HydrophobicContact CG1-CD2 3.28Å; V117-L121 HydrophobicContact CG1-CG 4.19Å; R118-L121 WeakPolarHBondContact O-CB 3.44Å; R118-L121 PolarHBondContact O-N 3.38Å; P119-L121 PolarHBondContact O-N 3.49Å; L121-T125 HydrophobicContact CD1-CG2 4.25Å; L121-T125 HydrophobicContact CD2-CG2 3.56Å; L121-T125 HydrophobicContact CG-CG2 3.93Å; L121-V126 HydrophobicContact CB-CG2 4.06Å; L121-V126 HydrophobicContact CD2-CG2 4.03Å; L121-V126 HydrophobicContact CG-CG2 4.33Å
122D90.8Very high92.6Very high95 Ų9555.1 Ų55.151%0.50827%0.273SS..  trans-61.8140.2177.6-73.2-31.5000110.6E124 T125 V126D122-E124 PolarHBondContact O-N 2.78Å; D122-T125 WeakPolarHBondContact O-CB 3.27Å; D122-T125 PolarHBondContact O-N 3.21Å; D122-V126 PolarHBondContact O-N 2.9Å
123K90.9Very high92.7Very high153 Ų15354.2 Ų54.267%0.66527%0.268SS*.Hα-helixtrans-59.2-37.1-176.6-167.8-176.3-177.9-109.90112T125 V126 E127K123-T125 VanDerWaalsContact C-N 3.32Å; K123-T125 PolarHBondContact O-N 2.76Å; K123-V126 PolarHBondContact O-N 2.92Å; K123-E127 WeakPolarHBondContact CE-OE1 3.39Å; K123-E127 IonicContact NZ-OE1 2.67Å; K123-E127 PolarHBondContact NZ-OE1 3.28Å; K123-E127 WeakPolarHBondContact O-CG 3.31Å; K123-E127 PolarHBondContact O-N 3Å
124E91.4Very high92.8Very high163 Ų16352.3 Ų52.376%0.76227%0.268SS*.Hα-helixtrans-61.6-41.9176-63-177.6179.300111.3D122 E127 L128D122-E124 PolarHBondContact O-N 2.78Å; E124-E127 PolarHBondContact O-N 3.27Å; E124-L128 WeakPolarHBondContact O-CB 3.45Å; E124-L128 PolarHBondContact O-N 3.49Å
125T91.5Very high92.8Very high6 Ų652.1 Ų52.14%0.03727%0.267CS..Hα-helixtrans-65.8-41.8175.6-540000111.4V97 E99 L121 D122 K123 L128 V129V97-T125 HydrophobicContact CG1-CG2 3.52Å; E99-T125 HydrophobicContact CB-CG2 4.33Å; E99-T125 HydrophobicContact CG-CG2 4.38Å; E99-T125 WeakPolarHBondContact OE2-CB 3.42Å; E99-T125 PolarHBondContact OE2-OG1 2.99Å; L121-T125 HydrophobicContact CD1-CG2 4.25Å; L121-T125 HydrophobicContact CD2-CG2 3.56Å; L121-T125 HydrophobicContact CG-CG2 3.93Å; D122-T125 WeakPolarHBondContact O-CB 3.27Å; D122-T125 PolarHBondContact O-N 3.21Å; K123-T125 VanDerWaalsContact C-N 3.32Å; K123-T125 PolarHBondContact O-N 2.76Å; T125-L128 PolarHBondContact O-N 3.06Å; T125-V129 HydrophobicContact CG2-CG2 4.35Å; T125-V129 WeakPolarHBondContact O-CG2 3.11Å; T125-V129 PolarHBondContact O-N 3.35Å
126V93.2Very high92.8Very high28 Ų2858.1 Ų58.117%0.1730%0.295CS..Hα-helixtrans-60.9-45.4176.8170.50000111.5V117 L121 D122 K123 V129 S130 V137V117-V126 HydrophobicContact CG1-CG2 4.45Å; L121-V126 HydrophobicContact CB-CG2 4.06Å; L121-V126 HydrophobicContact CD2-CG2 4.03Å; L121-V126 HydrophobicContact CG-CG2 4.33Å; D122-V126 PolarHBondContact O-N 2.9Å; K123-V126 PolarHBondContact O-N 2.92Å; V126-V129 PolarHBondContact O-N 3.44Å; V126-S130 PolarHBondContact O-N 3.03Å; V126-V137 HydrophobicContact CG1-CB 4.13Å; V126-V137 HydrophobicContact CG1-CG1 3.77Å
127E94Very high92.8Very high92 Ų9259.6 Ų59.643%0.4330%0.304SS..Hα-helixtrans-61.8-44175.7-72.2174.3-173.100111.1K123 E124 V129 S130 D131K123-E127 WeakPolarHBondContact CE-OE1 3.39Å; K123-E127 IonicContact NZ-OE1 2.67Å; K123-E127 PolarHBondContact NZ-OE1 3.28Å; K123-E127 WeakPolarHBondContact O-CG 3.31Å; K123-E127 PolarHBondContact O-N 3Å; E124-E127 PolarHBondContact O-N 3.27Å; E127-V129 PolarHBondContact O-N 3.32Å; E127-S130 WeakPolarHBondContact O-CB 3.38Å; E127-S130 PolarHBondContact O-N 2.84Å; E127-D131 WeakPolarHBondContact O-CB 3.46Å; E127-D131 PolarHBondContact O-N 3.12Å
128L93.3Very high92.8Very high47 Ų4762 Ų6225%0.24632%0.315CS..Hα-helixtrans-62.2-42.1176.7-172156.3000111.9L71 V95 V97 E124 T125 S130 D131 V132L71-L128 HydrophobicContact CD2-CD2 3.49Å; L71-L128 VanDerWaalsContact CD2-CD2 3.49Å; V95-L128 HydrophobicContact CG1-CD1 4.16Å; V95-L128 HydrophobicContact CG1-CD2 4.05Å; V95-L128 HydrophobicContact CG1-CG 4.4Å; V97-L128 HydrophobicContact CG2-CD2 3.74Å; E124-L128 WeakPolarHBondContact O-CB 3.45Å; E124-L128 PolarHBondContact O-N 3.49Å; T125-L128 PolarHBondContact O-N 3.06Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 2.89Å; L128-D131 PolarHBondContact O-N 3.14Å; L128-V132 HydrophobicContact CD2-CG2 3.84Å; L128-V132 HydrophobicContact CG-CG2 4.2Å; L128-V132 WeakPolarHBondContact O-CB 3.45Å; L128-V132 VanDerWaalsContact O-CG2 3.24Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 3.11Å
129V94.2Very high92.8Very high0 Ų062.4 Ų62.40%033%0.325CS..Hα-helixtrans-60.1-46.5175.7172.80000110.1L71 I108 A115 T125 V126 E127 D131 L133 V137L71-V129 HydrophobicContact CD1-CB 4.16Å; L71-V129 HydrophobicContact CD1-CG1 4.23Å; L71-V129 HydrophobicContact CD1-CG2 3.61Å; I108-V129 HydrophobicContact CD1-CG2 3.76Å; A115-V129 HydrophobicContact CB-CG1 4.42Å; T125-V129 HydrophobicContact CG2-CG2 4.35Å; T125-V129 WeakPolarHBondContact O-CG2 3.11Å; T125-V129 PolarHBondContact O-N 3.35Å; V126-V129 PolarHBondContact O-N 3.44Å; E127-V129 PolarHBondContact O-N 3.32Å; V129-D131 PolarHBondContact O-N 3.17Å; V129-L133 HydrophobicContact CG1-CD1 3.83Å; V129-L133 HydrophobicContact CG1-CG 4.46Å; V129-L133 VanDerWaalsContact O-CB 3.26Å; V129-L133 WeakPolarHBondContact O-CB 3.48Å; V129-L133 PolarHBondContact O-N 2.98Å; V129-V137 HydrophobicContact CB-CG2 4.36Å; V129-V137 HydrophobicContact CG1-CG2 3.97Å
130S94.8Very high92.8Very high43 Ų4363.5 Ų63.530%0.30133%0.325SS..Hα-helixtrans-58.6-45.8176.9-171.30000111.8V126 E127 L128 N134 V135V126-S130 PolarHBondContact O-N 3.03Å; E127-S130 WeakPolarHBondContact O-CB 3.38Å; E127-S130 PolarHBondContact O-N 2.84Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 2.89Å; S130-N134 WeakPolarHBondContact O-CA 3.44Å; S130-N134 PolarHBondContact O-N 3.09Å; S130-V135 PolarHBondContact O-N 3.01Å; S130-V135 PolarHBondContact OG-O 2.71Å
131D94.6Very high92.9Very high116 Ų11660.8 Ų60.862%0.6231%0.312SS*.Hα-helixtrans-74.4-37.8-175.1-75.6-14.8000113.6E127 L128 V129E127-D131 WeakPolarHBondContact O-CB 3.46Å; E127-D131 PolarHBondContact O-N 3.12Å; L128-D131 PolarHBondContact O-N 3.14Å; V129-D131 PolarHBondContact O-N 3.17Å
132V94.2Very high92.9Very high12 Ų1260.1 Ų60.17%0.07331%0.309CS..Hα-helixtrans-80.2-44.5-177175.30000111.1L71 K93 V95 L128L71-V132 HydrophobicContact CD2-CB 3.77Å; L71-V132 HydrophobicContact CD2-CG1 3.59Å; L71-V132 HydrophobicContact CD2-CG2 4.06Å; L71-V132 HydrophobicContact CG-CG1 4.31Å; K93-V132 HydrophobicContact CB-CG1 4.23Å; V95-V132 HydrophobicContact CB-CG1 4.28Å; V95-V132 HydrophobicContact CB-CG2 3.91Å; V95-V132 HydrophobicContact CG1-CG2 4.24Å; V95-V132 HydrophobicContact CG2-CG1 4.05Å; V95-V132 HydrophobicContact CG2-CG2 3.62Å; L128-V132 HydrophobicContact CD2-CG2 3.84Å; L128-V132 HydrophobicContact CG-CG2 4.2Å; L128-V132 WeakPolarHBondContact O-CB 3.45Å; L128-V132 VanDerWaalsContact O-CG2 3.24Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 3.11Å
133L93.9Very high92.8Very high0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-83.4-14.8178.7-58.5-175.6000112V64 N66 H68 G69 L71 C110 V129 V135V64-L133 HydrophobicContact CG1-CD1 4.02Å; N66-L133 PolarHBondContact ND2-O 3.35Å; N66-L133 WeakPolarHBondContact OD1-CD2 3.47Å; H68-L133 WeakPolarHBondContact CB-O 3.48Å; H68-L133 PolarHBondContact CD2-O 2.8Å; H68-L133 VanDerWaalsContact CD2-O 3.27Å; G69-L133 WeakPolarHBondContact O-CD2 3.42Å; L71-L133 HydrophobicContact CD1-CD1 4.04Å; L71-L133 HydrophobicContact CD1-CD2 4.41Å; L71-L133 HydrophobicContact CD1-CG 4.07Å; L71-L133 HydrophobicContact CG-CD2 4.25Å; L71-L133 HydrophobicContact CG-CG 4.39Å; C110-L133 HydrophobicContact CB-CD1 4.07Å; V129-L133 HydrophobicContact CG1-CD1 3.83Å; V129-L133 HydrophobicContact CG1-CG 4.46Å; V129-L133 VanDerWaalsContact O-CB 3.26Å; V129-L133 WeakPolarHBondContact O-CB 3.48Å; V129-L133 PolarHBondContact O-N 2.98Å; L133-V135 VanDerWaalsContact C-N 3.35Å; L133-V135 HydrophobicContact CB-CG1 4.28Å; L133-V135 HydrophobicContact CB-CG2 3.73Å; L133-V135 HydrophobicContact CD1-CG2 4.5Å; L133-V135 WeakPolarHBondContact O-CG1 3.2Å; L133-V135 PolarHBondContact O-N 2.89Å
134N94.4Very high92.6Very high113 Ų11356.1 Ų56.160%0.60430%0.296SS*.THydrogen-bonded Turntrans56.247.1-177.9-170.158.5000112.5H68 S130H68-N134 HydrophobicContact CB-CB 4.27Å; S130-N134 WeakPolarHBondContact O-CA 3.44Å; S130-N134 PolarHBondContact O-N 3.09Å
135V94.8Very high92.6Very high6 Ų651.4 Ų51.44%0.03627%0.274CS..SBendtrans-132.8155-175.8-63.10000111.5N66 D112 Y113 A115 S130 L133 V137N66-V135 WeakPolarHBondContact ND2-CG1 3.38Å; D112-V135 WeakPolarHBondContact O-CG1 3.28Å; Y113-V135 WeakPolarHBondContact O-CA 3.32Å; Y113-V135 WeakPolarHBondContact O-CB 2.98Å; A115-V135 HydrophobicContact CB-CG2 3.6Å; S130-V135 PolarHBondContact O-N 3.01Å; S130-V135 PolarHBondContact OG-O 2.71Å; L133-V135 VanDerWaalsContact C-N 3.35Å; L133-V135 HydrophobicContact CB-CG1 4.28Å; L133-V135 HydrophobicContact CB-CG2 3.73Å; L133-V135 HydrophobicContact CD1-CG2 4.5Å; L133-V135 WeakPolarHBondContact O-CG1 3.2Å; L133-V135 PolarHBondContact O-N 2.89Å; V135-V137 HydrophobicContact CG2-CG2 4.47Å
136E94.6Very high92.5Very high126 Ų12654.5 Ų54.559%0.58929%0.289SS*.EExtended strand (participates in β ladder)trans-73.8125.5170.7-64.6-173.4173.700110.3Y113 V114 A115 F138Y113-E136 PolarHBondContact O-N 3.23Å; V114-E136 CarbonylContact C-O 3.45Å; V114-E136 VanDerWaalsContact CA-O 3.29Å; V114-E136 WeakPolarHBondContact CA-O 3.45Å; V114-E136 HydrophobicContact CG1-CB 4.47Å; A115-E136 PolarHBondContact N-O 2.94Å; E136-F138 HydrophobicContact CB-CE2 3.93Å; E136-F138 HydrophobicContact CB-CZ 4.17Å
137V94.8Very high92.4Very high31 Ų3156 Ų5619%0.18830%0.297CS..EExtended strand (participates in β ladder)trans-99127.2-177.2-177.10000110.7A115 V117 V126 V129 V135A115-V137 HydrophobicContact CB-CG2 4.39Å; A115-V137 CarbonylContact O-C 3.47Å; A115-V137 WeakPolarHBondContact O-CA 3.44Å; V117-V137 HydrophobicContact CB-CG1 3.92Å; V117-V137 HydrophobicContact CG2-CG1 3.38Å; V126-V137 HydrophobicContact CG1-CB 4.13Å; V126-V137 HydrophobicContact CG1-CG1 3.77Å; V129-V137 HydrophobicContact CB-CG2 4.36Å; V129-V137 HydrophobicContact CG1-CG2 3.97Å; V135-V137 HydrophobicContact CG2-CG2 4.47Å
138F93.9Very high92.4Very high50 Ų5051.7 Ų51.722%0.21928%0.276CS..EExtended strand (participates in β ladder)trans-118128176.3-60.2-79.8000110.9V114 A115 L116 V117 E136 E140 L176 L177V114-F138 HydrophobicContact CB-CD2 4.43Å; V114-F138 HydrophobicContact CB-CE2 4.21Å; V114-F138 HydrophobicContact CG1-CE2 3.83Å; A115-F138 PolarHBondContact O-N 3.49Å; L116-F138 WeakPolarHBondContact CA-O 3.34Å; L116-F138 HydrophobicContact CD2-CB 4Å; V117-F138 PolarHBondContact N-O 3.19Å; E136-F138 HydrophobicContact CB-CE2 3.93Å; E136-F138 HydrophobicContact CB-CZ 4.17Å; F138-E140 HydrophobicContact CB-CG 4.43Å; F138-E140 PolarHBondContact O-N 3.08Å; F138-L176 HydrophobicContact CB-CD2 3.91Å; F138-L176 HydrophobicContact CD1-CD1 4.03Å; F138-L176 HydrophobicContact CD1-CD2 3.71Å; F138-L176 HydrophobicContact CD1-CG 3.98Å; F138-L176 HydrophobicContact CD2-CD2 3.62Å; F138-L176 HydrophobicContact CE1-CD1 4.41Å; F138-L176 HydrophobicContact CE1-CD2 4.08Å; F138-L176 HydrophobicContact CE1-CG 4.06Å; F138-L176 HydrophobicContact CE2-CD2 3.99Å; F138-L176 HydrophobicContact CG-CD2 3.47Å; F138-L176 VanDerWaalsContact CG-CD2 3.47Å; F138-L176 HydrophobicContact CG-CG 4.26Å; F138-L176 HydrophobicContact CZ-CD2 4.21Å; F138-L176 HydrophobicContact CZ-CG 4.41Å; F138-L177 HydrophobicContact CD2-CD2 4.13Å
139C92.2Very high92.4Very high59 Ų5949.6 Ų49.640%0.39927%0.266SS..EExtended strand (participates in β ladder)trans-92.496.4179.1-70.50000110V117 P119V117-C139 WeakPolarHBondContact O-CA 3.46Å; P119-C139 HydrophobicContact CB-CB 4.45Å
140E90.6Very high92.3Very high76 Ų7650.2 Ų50.236%0.35527%0.27SS..  trans-134.2161.8-172.4-71.5-62.1161.200112.5L116 V117 P119 F138 V148 L173L116-E140 HydrophobicContact CD2-CB 4.29Å; L116-E140 HydrophobicContact CD2-CG 4.46Å; V117-E140 PolarHBondContact O-N 3.17Å; V117-E140 VanDerWaalsContact O-N 3.09Å; P119-E140 WeakPolarHBondContact CD-O 3.43Å; F138-E140 HydrophobicContact CB-CG 4.43Å; F138-E140 PolarHBondContact O-N 3.08Å; E140-V148 VanDerWaalsContact O-CG1 3.22Å; E140-V148 WeakPolarHBondContact O-CG1 3.39Å; E140-L173 HydrophobicContact CB-CD2 4.26Å; E140-L173 HydrophobicContact CG-CD2 4.26Å
141V91Very high92.3Very high46 Ų4649.8 Ų49.828%0.27926%0.262SS..  trans-114140.2174.6-176.90000108.1P119 H145 L146P119-V141 HydrophobicContact CG-CG2 3.63Å; V141-H145 VanDerWaalsContact CG1-O 3.31Å; V141-H145 WeakPolarHBondContact CG1-O 3.25Å; V141-L146 HydrophobicContact CG2-CD2 4.02Å
142I88.5Confident92.3Very high0 Ų044.4 Ų44.40%023%0.233CC..BIsolated β-bridgetrans-114.9120.8179.4-59.8173.7000109.3L116 N144 H145 V148 C152 V161 H162 E169 L173L116-I142 HydrophobicContact CD1-CD1 3.89Å; I142-N144 VanDerWaalsContact C-N 3.25Å; I142-N144 PolarHBondContact O-N 3Å; I142-H145 PolarHBondContact N-O 2.9Å; I142-H145 WeakPolarHBondContact O-CA 3.15Å; I142-H145 WeakPolarHBondContact O-CB 3.48Å; I142-H145 PolarHBondContact O-N 3.34Å; I142-V148 HydrophobicContact CD1-CB 3.96Å; I142-V148 HydrophobicContact CD1-CG1 3.98Å; I142-V148 HydrophobicContact CG1-CG1 3.97Å; I142-C152 HydrophobicContact CD1-CB 3.46Å; I142-C152 VanDerWaalsContact CD1-CB 3.46Å; I142-V161 HydrophobicContact CG2-CB 4.41Å; I142-H162 HydrophobicContact CG2-CB 4.19Å; I142-E169 WeakPolarHBondContact CA-OE1 3.36Å; I142-L173 HydrophobicContact CG1-CD1 4.23Å
143A87.6Confident92.3Very high9 Ų944.8 Ų44.87%0.07424%0.235CC..THydrogen-bonded Turntrans51.941.7178.300000113.2H145 H162 K164 V165 E169A143-H145 PolarHBondContact O-CD2 2.81Å; A143-H145 PolarHBondContact O-N 2.9Å; A143-H162 HydrophobicContact CB-CB 4.05Å; A143-H162 WeakPolarHBondContact CB-ND1 3.3Å; A143-K164 HydrophobicContact CB-CB 4.44Å; A143-V165 HydrophobicContact CB-CB 4.47Å; A143-E169 PolarHBondContact N-OE1 2.91Å
144N87.8Confident92.3Very high155 Ų15545.3 Ų45.383%0.82924%0.238SC*.THydrogen-bonded Turntrans60.419.7-173.2-61.6-46.6000115I142I142-N144 VanDerWaalsContact C-N 3.25Å; I142-N144 PolarHBondContact O-N 3Å
145H89.9Confident92.2Very high65 Ų6540.2 Ų40.230%0.30121%0.211SC..BIsolated β-bridgetrans-109.8131174.7-66.3-58.6000111.9V141 I142 A143 L147 Y151V141-H145 VanDerWaalsContact CG1-O 3.31Å; V141-H145 WeakPolarHBondContact CG1-O 3.25Å; I142-H145 PolarHBondContact N-O 2.9Å; I142-H145 WeakPolarHBondContact O-CA 3.15Å; I142-H145 WeakPolarHBondContact O-CB 3.48Å; I142-H145 PolarHBondContact O-N 3.34Å; A143-H145 PolarHBondContact O-CD2 2.81Å; A143-H145 PolarHBondContact O-N 2.9Å; H145-L147 VanDerWaalsContact C-N 3.31Å; H145-L147 PolarHBondContact O-N 2.82Å; H145-Y151 HydrophobicContact CB-CD2 3.51Å; H145-Y151 HydrophobicContact CB-CE2 3.45Å; H145-Y151 VanDerWaalsContact CB-CE2 3.45Å; H145-Y151 HydrophobicContact CB-CG 4.49Å; H145-Y151 AromaticContact CD2-CE2 3.99Å; H145-Y151 AromaticContact CG-CE2 3.59Å
146L90.3Very high92.1Very high70 Ų7041 Ų4137%0.36622%0.215SC..SBendtrans-76.5-16.1-179.3-61.2174.4000113.6R118 V141 V148R118-L146 WeakPolarHBondContact CB-O 3.35Å; R118-L146 HydrophobicContact CG-CB 4.13Å; R118-L146 WeakPolarHBondContact CG-O 3.29Å; V141-L146 HydrophobicContact CG2-CD2 4.02Å; L146-V148 PolarHBondContact O-N 2.86Å
147L91.9Very high91.9Very high61 Ų6138.3 Ų38.332%0.31920%0.203SC..  trans-92.268.6-175.5-61-177.8000110.8N106 I107 H145 G149 T150 Y151N106-L147 HydrophobicContact CB-CD2 4.49Å; N106-L147 CarbonylContact O-C 3.26Å; N106-L147 VanDerWaalsContact O-C 3.22Å; N106-L147 WeakPolarHBondContact O-CA 3.37Å; N106-L147 WeakPolarHBondContact O-CB 3.43Å; I107-L147 HydrophobicContact CG2-CD2 3.79Å; H145-L147 VanDerWaalsContact C-N 3.31Å; H145-L147 PolarHBondContact O-N 2.82Å; L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 3.02Å; L147-T150 WeakPolarHBondContact O-CB 3.3Å; L147-T150 PolarHBondContact O-N 3.4Å; L147-Y151 HydrophobicContact CB-CD2 4.19Å; L147-Y151 HydrophobicContact CB-CE2 4.11Å; L147-Y151 WeakPolarHBondContact O-CD2 3.48Å; L147-Y151 PolarHBondContact O-N 2.92Å
148V92.6Very high91.8Very high0 Ų036.9 Ų36.90%019%0.194CC..Hα-helixtrans-55.8-41-176-62.40000112.4I107 L116 E140 I142 L146 T150 Y151 C152I107-V148 WeakPolarHBondContact O-CG2 3.48Å; L116-V148 HydrophobicContact CB-CB 4.42Å; L116-V148 HydrophobicContact CB-CG2 4.27Å; L116-V148 WeakPolarHBondContact O-CG2 3.21Å; E140-V148 VanDerWaalsContact O-CG1 3.22Å; E140-V148 WeakPolarHBondContact O-CG1 3.39Å; I142-V148 HydrophobicContact CD1-CB 3.96Å; I142-V148 HydrophobicContact CD1-CG1 3.98Å; I142-V148 HydrophobicContact CG1-CG1 3.97Å; L146-V148 PolarHBondContact O-N 2.86Å; V148-T150 PolarHBondContact O-N 3.25Å; V148-Y151 PolarHBondContact O-N 2.85Å; V148-C152 WeakPolarHBondContact O-CB 3.39Å; V148-C152 PolarHBondContact O-N 2.74Å
149G92.8Very high91.8Very high3 Ų334.5 Ų34.53%0.03118%0.183CC..Hα-helixtrans-64.3-23.1177.300000114.6G105 N106 L147 A194G105-G149 CarbonylContact O-C 3.59Å; G105-G149 WeakPolarHBondContact O-CA 3.47Å; N106-G149 CarbonylContact O-C 2.92Å; N106-G149 WeakPolarHBondContact O-CA 3.37Å; N106-G149 PolarHBondContact O-N 3.44Å; N106-G149 VanDerWaalsContact O-N 3.08Å; L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 3.02Å; G149-A194 WeakPolarHBondContact O-CB 3.45Å
150T94Very high92Very high13 Ų1331.7 Ų31.78%0.0817%0.165CC..Hα-helixtrans-80.9-35.4175.9-57.20000112.2N106 L147 V148 L192 I193 A194N106-T150 WeakPolarHBondContact CB-OG1 3.32Å; N106-T150 PolarHBondContact O-N 2.76Å; N106-T150 PolarHBondContact O-OG1 3.41Å; L147-T150 WeakPolarHBondContact O-CB 3.3Å; L147-T150 PolarHBondContact O-N 3.4Å; V148-T150 PolarHBondContact O-N 3.25Å; T150-L192 HydrophobicContact CG2-CD2 3.47Å; T150-L192 VanDerWaalsContact CG2-CD2 3.47Å; T150-I193 PolarHBondContact O-N 3.37Å; T150-A194 PolarHBondContact O-N 2.95Å
151Y94.6Very high92.2Very high35 Ų3528.1 Ų28.114%0.13715%0.148CC..Hα-helixtrans-106.61-168.2-66.5-60.3000113.7H145 L147 V148 V161 H162 T191 L192H145-Y151 HydrophobicContact CB-CD2 3.51Å; H145-Y151 HydrophobicContact CB-CE2 3.45Å; H145-Y151 VanDerWaalsContact CB-CE2 3.45Å; H145-Y151 HydrophobicContact CB-CG 4.49Å; H145-Y151 AromaticContact CD2-CE2 3.99Å; H145-Y151 AromaticContact CG-CE2 3.59Å; L147-Y151 HydrophobicContact CB-CD2 4.19Å; L147-Y151 HydrophobicContact CB-CE2 4.11Å; L147-Y151 WeakPolarHBondContact O-CD2 3.48Å; L147-Y151 PolarHBondContact O-N 2.92Å; V148-Y151 PolarHBondContact O-N 2.85Å; Y151-V161 CarbonylContact O-C 3.57Å; Y151-V161 WeakPolarHBondContact O-CA 3.38Å; Y151-H162 AromaticContact CD1-CD2 3.47Å; Y151-H162 VanDerWaalsContact CD1-CD2 3.47Å; Y151-H162 WeakPolarHBondContact CD1-CD2 3.4Å; Y151-H162 AromaticContact CE1-CD2 3.87Å; Y151-H162 PolarHBondContact O-N 2.83Å; Y151-H162 VanDerWaalsContact O-N 3.11Å; Y151-T191 WeakPolarHBondContact CD1-O 3.4Å; Y151-L192 HydrophobicContact CE1-CD2 3.78Å
152C93.6Very high92.3Very high3 Ų326.1 Ų26.12%0.0214%0.135CC..EExtended strand (participates in β ladder)trans-140.4134.6-179.6-1760000110A109 I142 V148 L154 L160 V161A109-C152 HydrophobicContact CB-CB 4.16Å; I142-C152 HydrophobicContact CD1-CB 3.46Å; I142-C152 VanDerWaalsContact CD1-CB 3.46Å; V148-C152 WeakPolarHBondContact O-CB 3.39Å; V148-C152 PolarHBondContact O-N 2.74Å; C152-L154 WeakPolarHBondContact SG-CD2 3.29Å; C152-L160 WeakPolarHBondContact CA-O 3.4Å; C152-V161 HydrophobicContact CB-CG1 4.35Å
153V94.8Very high92.5Very high19 Ų1928.6 Ų28.612%0.11515%0.151CC..EExtended strand (participates in β ladder)trans-125126.6168.5177.30000107.6G159 L160 I193 A194 L197 V199 F222V153-G159 CarbonylContact O-C 3.49Å; V153-G159 VanDerWaalsContact O-CA 3.25Å; V153-G159 WeakPolarHBondContact O-CA 3.39Å; V153-L160 PolarHBondContact N-O 3.33Å; V153-L160 PolarHBondContact O-N 3.19Å; V153-I193 HydrophobicContact CB-CG2 4.18Å; V153-I193 HydrophobicContact CG2-CG2 3.76Å; V153-A194 VanDerWaalsContact CG2-CA 3.45Å; V153-A194 HydrophobicContact CG2-CB 3.65Å; V153-L197 HydrophobicContact CB-CD2 4.46Å; V153-L197 HydrophobicContact CG1-CD2 4.47Å; V153-V199 HydrophobicContact CG1-CG2 3.32Å; V153-F222 HydrophobicContact CG1-CZ 4.33Å
154L94.3Very high92.7Very high11 Ų1135.8 Ų35.86%0.05818%0.181CC..EExtended strand (participates in β ladder)trans-117.6140.8-176.9-60.4175.7000109.2A109 N111 L116 C152 L177 L181A109-L154 HydrophobicContact CB-CD1 4.24Å; A109-L154 HydrophobicContact CB-CG 4.44Å; N111-L154 HydrophobicContact CB-CB 4.17Å; L116-L154 HydrophobicContact CD1-CD1 4.25Å; L116-L154 HydrophobicContact CG-CD1 4.16Å; C152-L154 WeakPolarHBondContact SG-CD2 3.29Å; L154-L177 HydrophobicContact CD1-CD1 4.24Å; L154-L177 HydrophobicContact CD2-CD1 4.09Å; L154-L181 HydrophobicContact CD2-CD2 3.91Å
155T92.8Very high92.9Very high6 Ų629.2 Ų29.24%0.03715%0.146CC..  trans-125.3-174.216273.40000108.7N111 Q157 G158 L179 V199 D201 F222N111-T155 PolarHBondContact ND2-O 3.25Å; T155-Q157 PolarHBondContact O-N 2.8Å; T155-Q157 PolarHBondContact OG1-N 3.2Å; T155-G158 PolarHBondContact N-O 3.19Å; T155-G158 PolarHBondContact OG1-N 2.83Å; T155-G158 PolarHBondContact OG1-O 3.45Å; T155-L179 WeakPolarHBondContact O-CD1 3.47Å; T155-V199 HydrophobicContact CG2-CB 3.96Å; T155-V199 HydrophobicContact CG2-CG2 3.44Å; T155-V199 VanDerWaalsContact CG2-CG2 3.44Å; T155-D201 WeakPolarHBondContact CB-OD1 3.48Å; T155-F222 HydrophobicContact CG2-CD1 3.56Å; T155-F222 HydrophobicContact CG2-CE1 3.65Å; T155-F222 VanDerWaalsContact OG1-CD1 3.28Å; T155-F222 WeakPolarHBondContact OG1-CD1 3.26Å
156N91.8Very high93Very high22 Ų2229.7 Ų29.712%0.11815%0.154CC..SBendtrans-77.5-14.3176.5-61.9-30.4000112.6N21 D112 Y113 L179 D201N21-N156 PolarHBondContact ND2-ND2 3.4Å; D112-N156 WeakPolarHBondContact CB-OD1 3.43Å; D112-N156 PolarHBondContact N-OD1 3.01Å; D112-N156 PolarHBondContact OD2-ND2 2.7Å; Y113-N156 HydrophobicContact CD2-CB 4.43Å; Y113-N156 HydrophobicContact CE2-CB 3.93Å; N156-L179 WeakPolarHBondContact O-CD2 3.4Å; N156-D201 WeakPolarHBondContact CB-OD1 3.34Å; N156-D201 WeakPolarHBondContact CB-OD2 3.38Å; N156-D201 PolarHBondContact N-OD1 3.1Å; N156-D201 PolarHBondContact ND2-OD2 2.67Å
157Q90.5Very high93.1Very high71 Ų7131.3 Ų31.333%0.33217%0.167SC..SBendtrans-96.2-29.2-178.5-65.3-60.9-26.500113.4T155 P180 K223T155-Q157 PolarHBondContact O-N 2.8Å; T155-Q157 PolarHBondContact OG1-N 3.2Å; Q157-P180 WeakPolarHBondContact O-CD 2.94Å; Q157-P180 WeakPolarHBondContact O-CG 3.41Å; Q157-K223 VanDerWaalsContact OE1-NZ 3.11Å
158G93.2Very high93.2Very high0 Ų033.9 Ų33.90%018%0.181CC..  trans-179.8-175-177.100000112.6T155 P180 F222T155-G158 PolarHBondContact N-O 3.19Å; T155-G158 PolarHBondContact OG1-N 2.83Å; T155-G158 PolarHBondContact OG1-O 3.45Å; G158-P180 CarbonylContact C-O 3.56Å; G158-P180 VanDerWaalsContact CA-O 3.25Å; G158-P180 WeakPolarHBondContact CA-O 3.47Å; G158-F222 WeakPolarHBondContact O-CE1 3.06Å
159G94.2Very high93.2Very high0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-147.5146.7179.800000113.7V153 P180 L181 T182 I221V153-G159 CarbonylContact O-C 3.49Å; V153-G159 VanDerWaalsContact O-CA 3.25Å; V153-G159 WeakPolarHBondContact O-CA 3.39Å; G159-P180 PolarHBondContact N-O 3.43Å; G159-L181 WeakPolarHBondContact O-CA 3.38Å; G159-T182 PolarHBondContact O-N 3.05Å; G159-I221 WeakPolarHBondContact O-CG1 3.41Å
160L94.6Very high93.2Very high1 Ų136.8 Ų36.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-109.8125.5173.8-165.772.7000109.2C152 V153 T182 V186 I193 L197 V217 I218 F222C152-L160 WeakPolarHBondContact CA-O 3.4Å; V153-L160 PolarHBondContact N-O 3.33Å; V153-L160 PolarHBondContact O-N 3.19Å; L160-T182 WeakPolarHBondContact CA-O 3.35Å; L160-T182 HydrophobicContact CD1-CG2 4.29Å; L160-T182 WeakPolarHBondContact CD1-O 3.43Å; L160-V186 HydrophobicContact CD2-CG1 4.39Å; L160-I193 HydrophobicContact CB-CG2 4.18Å; L160-I193 HydrophobicContact CD2-CD1 4.42Å; L160-I193 HydrophobicContact CD2-CG1 4.4Å; L160-I193 HydrophobicContact CD2-CG2 3.75Å; L160-I193 HydrophobicContact CG-CD1 4.13Å; L160-I193 HydrophobicContact CG-CG2 4.17Å; L160-L197 HydrophobicContact CD2-CD2 4.02Å; L160-V217 HydrophobicContact CD1-CG1 4.14Å; L160-I218 HydrophobicContact CD2-CG1 4.04Å; L160-F222 HydrophobicContact CB-CE2 3.99Å; L160-F222 HydrophobicContact CB-CZ 3.88Å
161V94.5Very high93.2Very high1 Ų140.5 Ų40.51%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-121.7165.9-177.7-62.90000112.1I142 Y151 C152 V165 L170 L181 T182 A183 G184 I193I142-V161 HydrophobicContact CG2-CB 4.41Å; Y151-V161 CarbonylContact O-C 3.57Å; Y151-V161 WeakPolarHBondContact O-CA 3.38Å; C152-V161 HydrophobicContact CB-CG1 4.35Å; V161-V165 HydrophobicContact CG2-CB 4.46Å; V161-V165 HydrophobicContact CG2-CG1 3.88Å; V161-L170 HydrophobicContact CG2-CD1 3.39Å; V161-L181 HydrophobicContact CG1-CD1 4.41Å; V161-L181 HydrophobicContact CG1-CD2 4.5Å; V161-T182 WeakPolarHBondContact CG2-O 3.46Å; V161-T182 PolarHBondContact N-O 3.36Å; V161-A183 HydrophobicContact CG2-CB 4.46Å; V161-A183 WeakPolarHBondContact O-CA 3.33Å; V161-G184 PolarHBondContact O-N 3.19Å; V161-G184 VanDerWaalsContact O-N 3.09Å; V161-I193 WeakPolarHBondContact O-CD1 3.21Å
162H94.2Very high93.1Very high3 Ų345.3 Ų45.31%0.01424%0.238CC..  trans-51.4137.9-178.8-169.8-100.9000113.2I142 A143 Y151 K164 V165 T191I142-H162 HydrophobicContact CG2-CB 4.19Å; A143-H162 HydrophobicContact CB-CB 4.05Å; A143-H162 WeakPolarHBondContact CB-ND1 3.3Å; Y151-H162 AromaticContact CD1-CD2 3.47Å; Y151-H162 VanDerWaalsContact CD1-CD2 3.47Å; Y151-H162 WeakPolarHBondContact CD1-CD2 3.4Å; Y151-H162 AromaticContact CE1-CD2 3.87Å; Y151-H162 PolarHBondContact O-N 2.83Å; Y151-H162 VanDerWaalsContact O-N 3.11Å; H162-K164 VanDerWaalsContact CE1-CB 3.5Å; H162-K164 WeakPolarHBondContact CE1-CB 3.35Å; H162-K164 VanDerWaalsContact CE1-CG 3.47Å; H162-K164 WeakPolarHBondContact CE1-CG 3.14Å; H162-K164 WeakPolarHBondContact ND1-CB 3.29Å; H162-K164 PolarHBondContact ND1-N 3.47Å; H162-K164 VanDerWaalsContact ND1-N 3.17Å; H162-K164 PolarHBondContact O-N 2.91Å; H162-K164 VanDerWaalsContact O-N 3.14Å; H162-V165 WeakPolarHBondContact O-CB 3.41Å; H162-V165 VanDerWaalsContact O-CG1 3.25Å; H162-V165 WeakPolarHBondContact O-CG1 3.38Å; H162-V165 PolarHBondContact O-N 3.33Å; H162-V165 VanDerWaalsContact O-N 3.12Å; H162-T191 VanDerWaalsContact NE2-CB 3.33Å; H162-T191 WeakPolarHBondContact NE2-CB 3.37Å
163P92Very high93.1Very high52 Ų5245.5 Ų45.534%0.33824%0.238SC..THydrogen-bonded Turntrans-68.7-16.3-174.629.7-38.2000114.4V165 G184 T185 T191P163-V165 VanDerWaalsContact C-N 3.35Å; P163-G184 WeakPolarHBondContact CD-O 3.41Å; P163-T185 HydrophobicContact CB-CG2 4.1Å; P163-T185 HydrophobicContact CG-CG2 3.74Å; P163-T191 HydrophobicContact CG-CG2 3.82Å
164K92.2Very high93Very high161 Ų16146.1 Ų46.170%0.724%0.244SC*.THydrogen-bonded Turntrans-91.16.7176.4-55.1-174.4-173.7170.90113.9A143 H162A143-K164 HydrophobicContact CB-CB 4.44Å; H162-K164 VanDerWaalsContact CE1-CB 3.5Å; H162-K164 WeakPolarHBondContact CE1-CB 3.35Å; H162-K164 VanDerWaalsContact CE1-CG 3.47Å; H162-K164 WeakPolarHBondContact CE1-CG 3.14Å; H162-K164 WeakPolarHBondContact ND1-CB 3.29Å; H162-K164 PolarHBondContact ND1-N 3.47Å; H162-K164 VanDerWaalsContact ND1-N 3.17Å; H162-K164 PolarHBondContact O-N 2.91Å; H162-K164 VanDerWaalsContact O-N 3.14Å
165V92Very high92.9Very high16 Ų1649.4 Ų49.410%0.09727%0.267CS..  trans-60.4138.917272.90000109A143 V161 H162 P163 E169 L170 A183A143-V165 HydrophobicContact CB-CB 4.47Å; V161-V165 HydrophobicContact CG2-CB 4.46Å; V161-V165 HydrophobicContact CG2-CG1 3.88Å; H162-V165 WeakPolarHBondContact O-CB 3.41Å; H162-V165 VanDerWaalsContact O-CG1 3.25Å; H162-V165 WeakPolarHBondContact O-CG1 3.38Å; H162-V165 PolarHBondContact O-N 3.33Å; H162-V165 VanDerWaalsContact O-N 3.12Å; P163-V165 VanDerWaalsContact C-N 3.35Å; V165-E169 HydrophobicContact CG2-CB 3.94Å; V165-E169 HydrophobicContact CG2-CG 3.72Å; V165-E169 WeakPolarHBondContact CG2-OE2 3.34Å; V165-L170 HydrophobicContact CG1-CB 4.24Å; V165-L170 HydrophobicContact CG1-CD1 4.12Å; V165-L170 HydrophobicContact CG2-CB 4.36Å; V165-A183 HydrophobicContact CG1-CB 3.75Å
166T93.1Very high92.9Very high76 Ų7651.6 Ų51.647%0.46628%0.278SS..  trans-74.7154.6174.265.10000110D168 E169 L170T166-D168 VanDerWaalsContact C-N 3.26Å; T166-D168 PolarHBondContact O-N 3.46Å; T166-E169 PolarHBondContact N-OE2 3.22Å; T166-E169 PolarHBondContact O-N 3.09Å; T166-E169 WeakPolarHBondContact OG1-CB 3.42Å; T166-E169 PolarHBondContact OG1-N 2.84Å; T166-L170 WeakPolarHBondContact O-CB 3.26Å; T166-L170 PolarHBondContact O-N 3.01Å
167V92.4Very high92.9Very high104 Ų10450.8 Ų50.863%0.6327%0.274SS*.Hα-helixtrans-60.8-40.7178.3-178.20000110.5E169 L170 D171V167-E169 PolarHBondContact O-N 3.01Å; V167-L170 WeakPolarHBondContact O-CB 3.5Å; V167-L170 PolarHBondContact O-N 3.49Å; V167-D171 PolarHBondContact O-N 2.92Å
168D93.1Very high92.9Very high115 Ų11555.2 Ų55.262%0.61530%0.295SS*.Hα-helixtrans-63.1-43177.6-59.1-32000112.1T166 D171 Q172T166-D168 VanDerWaalsContact C-N 3.26Å; T166-D168 PolarHBondContact O-N 3.46Å; D168-D171 PolarHBondContact O-N 3.25Å; D168-Q172 WeakPolarHBondContact O-CB 3.44Å; D168-Q172 WeakPolarHBondContact O-CG 3.3Å; D168-Q172 PolarHBondContact O-N 3.26Å
169E92.8Very high92.9Very high36 Ų3656.1 Ų56.117%0.16830%0.299CS..Hα-helixtrans-66.1-39.2176.1-178.3-175.2-174.500111.4I142 A143 V165 T166 V167 Q172 L173I142-E169 WeakPolarHBondContact CA-OE1 3.36Å; A143-E169 PolarHBondContact N-OE1 2.91Å; V165-E169 HydrophobicContact CG2-CB 3.94Å; V165-E169 HydrophobicContact CG2-CG 3.72Å; V165-E169 WeakPolarHBondContact CG2-OE2 3.34Å; T166-E169 PolarHBondContact N-OE2 3.22Å; T166-E169 PolarHBondContact O-N 3.09Å; T166-E169 WeakPolarHBondContact OG1-CB 3.42Å; T166-E169 PolarHBondContact OG1-N 2.84Å; V167-E169 PolarHBondContact O-N 3.01Å; E169-Q172 PolarHBondContact O-N 3.08Å; E169-L173 HydrophobicContact CG-CD1 4.17Å; E169-L173 WeakPolarHBondContact O-CB 3.22Å; E169-L173 VanDerWaalsContact O-CG 3.27Å; E169-L173 WeakPolarHBondContact O-CG 3.48Å; E169-L173 PolarHBondContact O-N 2.75Å
170L93.5Very high92.9Very high28 Ų2859 Ų5915%0.14732%0.318CS..Hα-helixtrans-62.4-45.7175.8-174.571.4000111.5V161 V165 T166 V167 L173 S174 L181V161-L170 HydrophobicContact CG2-CD1 3.39Å; V165-L170 HydrophobicContact CG1-CB 4.24Å; V165-L170 HydrophobicContact CG1-CD1 4.12Å; V165-L170 HydrophobicContact CG2-CB 4.36Å; T166-L170 WeakPolarHBondContact O-CB 3.26Å; T166-L170 PolarHBondContact O-N 3.01Å; V167-L170 WeakPolarHBondContact O-CB 3.5Å; V167-L170 PolarHBondContact O-N 3.49Å; L170-L173 PolarHBondContact O-N 2.84Å; L170-S174 VanDerWaalsContact O-CB 3.26Å; L170-S174 WeakPolarHBondContact O-CB 3.34Å; L170-S174 PolarHBondContact O-N 2.76Å; L170-L181 HydrophobicContact CD1-CB 3.51Å; L170-L181 HydrophobicContact CD1-CD1 4.42Å; L170-L181 HydrophobicContact CG-CB 4.32Å
171D93.7Very high92.8Very high91 Ų9159.6 Ų59.649%0.48732%0.321SS..Hα-helixtrans-67.1-38179.4-73.9-18.4000111.7V167 D168 S175V167-D171 PolarHBondContact O-N 2.92Å; D168-D171 PolarHBondContact O-N 3.25Å; D171-S175 VanDerWaalsContact O-CB 3.31Å; D171-S175 WeakPolarHBondContact O-CB 3.2Å; D171-S175 PolarHBondContact O-N 2.85Å; D171-S175 PolarHBondContact O-OG 2.99Å
172Q92.7Very high92.8Very high136 Ų13661.9 Ų61.964%0.63634%0.335SS*.Hα-helixtrans-62.8-49.6173.4-75.4171.49.200111.5D168 E169 S174 S175 L176D168-Q172 WeakPolarHBondContact O-CB 3.44Å; D168-Q172 WeakPolarHBondContact O-CG 3.3Å; D168-Q172 PolarHBondContact O-N 3.26Å; E169-Q172 PolarHBondContact O-N 3.08Å; Q172-S174 VanDerWaalsContact C-N 3.35Å; Q172-S174 PolarHBondContact O-N 3.27Å; Q172-S175 PolarHBondContact O-N 3.22Å; Q172-L176 VanDerWaalsContact O-CB 3.3Å; Q172-L176 WeakPolarHBondContact O-CB 3.11Å; Q172-L176 PolarHBondContact O-N 3.17Å
173L92.5Very high92.8Very high6 Ų663.6 Ų63.63%0.03135%0.35CS..Hα-helixtrans-63.4-40.8177.9-72.7172.2000111.7E140 I142 E169 L170 S175 L176 L177 L181E140-L173 HydrophobicContact CB-CD2 4.26Å; E140-L173 HydrophobicContact CG-CD2 4.26Å; I142-L173 HydrophobicContact CG1-CD1 4.23Å; E169-L173 HydrophobicContact CG-CD1 4.17Å; E169-L173 WeakPolarHBondContact O-CB 3.22Å; E169-L173 VanDerWaalsContact O-CG 3.27Å; E169-L173 WeakPolarHBondContact O-CG 3.48Å; E169-L173 PolarHBondContact O-N 2.75Å; L170-L173 PolarHBondContact O-N 2.84Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.23Å; L173-L176 PolarHBondContact O-N 3.05Å; L173-L177 WeakPolarHBondContact O-CB 3.49Å; L173-L177 VanDerWaalsContact O-CG 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.38Å; L173-L181 HydrophobicContact CB-CD1 3.5Å; L173-L181 VanDerWaalsContact CB-CD1 3.5Å
174S93.1Very high92.9Very high33 Ų3361.7 Ų61.723%0.23134%0.34CS..Hα-helixtrans-63.9-40.5177.3-177.70000111.5L170 Q172 H178 L179L170-S174 VanDerWaalsContact O-CB 3.26Å; L170-S174 WeakPolarHBondContact O-CB 3.34Å; L170-S174 PolarHBondContact O-N 2.76Å; Q172-S174 VanDerWaalsContact C-N 3.35Å; Q172-S174 PolarHBondContact O-N 3.27Å; S174-H178 WeakPolarHBondContact O-CA 3.23Å; S174-H178 PolarHBondContact O-N 3.41Å; S174-L179 WeakPolarHBondContact CA-O 3.5Å; S174-L179 WeakPolarHBondContact CB-O 3.07Å; S174-L179 PolarHBondContact O-N 3.18Å; S174-L179 PolarHBondContact OG-O 3.32Å
175S93.1Very high93Very high80 Ų8055.8 Ų55.856%0.55932%0.317SS*.Hα-helixtrans-67.3-39.2176.3-600000112.4D171 Q172 L173 H178D171-S175 VanDerWaalsContact O-CB 3.31Å; D171-S175 WeakPolarHBondContact O-CB 3.2Å; D171-S175 PolarHBondContact O-N 2.85Å; D171-S175 PolarHBondContact O-OG 2.99Å; Q172-S175 PolarHBondContact O-N 3.22Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.23Å; S175-H178 PolarHBondContact O-CE1 3.05Å; S175-H178 VanDerWaalsContact O-CE1 3.23Å; S175-H178 PolarHBondContact O-ND1 2.87Å
176L91.9Very high93Very high51 Ų5155 Ų5527%0.26731%0.313SS..Hα-helixtrans-71.4-41.2-179.7177148.1000112.2F138 Q172 L173 H178F138-L176 HydrophobicContact CB-CD2 3.91Å; F138-L176 HydrophobicContact CD1-CD1 4.03Å; F138-L176 HydrophobicContact CD1-CD2 3.71Å; F138-L176 HydrophobicContact CD1-CG 3.98Å; F138-L176 HydrophobicContact CD2-CD2 3.62Å; F138-L176 HydrophobicContact CE1-CD1 4.41Å; F138-L176 HydrophobicContact CE1-CD2 4.08Å; F138-L176 HydrophobicContact CE1-CG 4.06Å; F138-L176 HydrophobicContact CE2-CD2 3.99Å; F138-L176 HydrophobicContact CG-CD2 3.47Å; F138-L176 VanDerWaalsContact CG-CD2 3.47Å; F138-L176 HydrophobicContact CG-CG 4.26Å; F138-L176 HydrophobicContact CZ-CD2 4.21Å; F138-L176 HydrophobicContact CZ-CG 4.41Å; Q172-L176 VanDerWaalsContact O-CB 3.3Å; Q172-L176 WeakPolarHBondContact O-CB 3.11Å; Q172-L176 PolarHBondContact O-N 3.17Å; L173-L176 PolarHBondContact O-N 3.05Å; L176-H178 VanDerWaalsContact C-N 3.34Å
177L91Very high93Very high5 Ų552.2 Ų52.23%0.02629%0.294CS..Hα-helixtrans-84.4-9.7179.1-61.4174.6000113.5V114 L116 F138 L154 L173 L179 L181V114-L177 HydrophobicContact CB-CD2 3.91Å; V114-L177 HydrophobicContact CG1-CD2 4.48Å; V114-L177 HydrophobicContact CG2-CB 4.33Å; V114-L177 HydrophobicContact CG2-CD2 3.63Å; L116-L177 HydrophobicContact CD1-CD1 4.02Å; L116-L177 HydrophobicContact CD2-CD1 4.4Å; L116-L177 HydrophobicContact CD2-CD2 3.74Å; L116-L177 HydrophobicContact CD2-CG 4.45Å; L116-L177 HydrophobicContact CG-CD1 4.23Å; L116-L177 HydrophobicContact CG-CD2 4.03Å; F138-L177 HydrophobicContact CD2-CD2 4.13Å; L154-L177 HydrophobicContact CD1-CD1 4.24Å; L154-L177 HydrophobicContact CD2-CD1 4.09Å; L173-L177 WeakPolarHBondContact O-CB 3.49Å; L173-L177 VanDerWaalsContact O-CG 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.38Å; L177-L179 HydrophobicContact CB-CB 4.33Å; L177-L179 PolarHBondContact O-N 3.09Å; L177-L181 HydrophobicContact CD1-CD1 4.13Å; L177-L181 HydrophobicContact CD1-CD2 4.32Å
178H91.6Very high93Very high165 Ų16553.9 Ų53.976%0.76430%0.296SS*.THydrogen-bonded Turntrans54.432.7-171.5-56.9-50.7000113.4S174 S175 L176S174-H178 WeakPolarHBondContact O-CA 3.23Å; S174-H178 PolarHBondContact O-N 3.41Å; S175-H178 PolarHBondContact O-CE1 3.05Å; S175-H178 VanDerWaalsContact O-CE1 3.23Å; S175-H178 PolarHBondContact O-ND1 2.87Å; L176-H178 VanDerWaalsContact C-N 3.34Å
179L92.5Very high92.9Very high19 Ų1950.5 Ų50.510%0.09929%0.287CS..SBendtrans-131.5144.3-177.5-73.3177.1000111.8N111 T155 N156 S174 L177 L181N111-L179 WeakPolarHBondContact ND2-CD1 3.44Å; T155-L179 WeakPolarHBondContact O-CD1 3.47Å; N156-L179 WeakPolarHBondContact O-CD2 3.4Å; S174-L179 WeakPolarHBondContact CA-O 3.5Å; S174-L179 WeakPolarHBondContact CB-O 3.07Å; S174-L179 PolarHBondContact O-N 3.18Å; S174-L179 PolarHBondContact OG-O 3.32Å; L177-L179 HydrophobicContact CB-CB 4.33Å; L177-L179 PolarHBondContact O-N 3.09Å; L179-L181 PolarHBondContact O-N 3.27Å
180P93.8Very high92.9Very high61 Ų6150.3 Ų50.340%0.39629%0.29SS..  trans-67.1124.3172.129.6-33000109.1Q157 G158 G159 I221Q157-P180 WeakPolarHBondContact O-CD 2.94Å; Q157-P180 WeakPolarHBondContact O-CG 3.41Å; G158-P180 CarbonylContact C-O 3.56Å; G158-P180 VanDerWaalsContact CA-O 3.25Å; G158-P180 WeakPolarHBondContact CA-O 3.47Å; G159-P180 PolarHBondContact N-O 3.43Å; P180-I221 HydrophobicContact CB-CD1 3.97Å; P180-I221 HydrophobicContact CG-CD1 4.31Å; P180-I221 WeakPolarHBondContact O-CD1 3.19Å
181L94.2Very high92.9Very high13 Ų1351.1 Ų51.17%0.06830%0.296CS..EExtended strand (participates in β ladder)trans-110.9145.7175.6-61.2-179.6000110.1L154 G159 V161 L170 L173 L177 L179L154-L181 HydrophobicContact CD2-CD2 3.91Å; G159-L181 WeakPolarHBondContact O-CA 3.38Å; V161-L181 HydrophobicContact CG1-CD1 4.41Å; V161-L181 HydrophobicContact CG1-CD2 4.5Å; L170-L181 HydrophobicContact CD1-CB 3.51Å; L170-L181 HydrophobicContact CD1-CD1 4.42Å; L170-L181 HydrophobicContact CG-CB 4.32Å; L173-L181 HydrophobicContact CB-CD1 3.5Å; L173-L181 VanDerWaalsContact CB-CD1 3.5Å; L177-L181 HydrophobicContact CD1-CD1 4.13Å; L177-L181 HydrophobicContact CD1-CD2 4.32Å; L179-L181 PolarHBondContact O-N 3.27Å
182T94.1Very high92.8Very high49 Ų4949.3 Ų49.330%0.30129%0.287SS..EExtended strand (participates in β ladder)trans-134.6144.2172.8-75.60000110.3G159 L160 V161 V217G159-T182 PolarHBondContact O-N 3.05Å; L160-T182 WeakPolarHBondContact CA-O 3.35Å; L160-T182 HydrophobicContact CD1-CG2 4.29Å; L160-T182 WeakPolarHBondContact CD1-O 3.43Å; V161-T182 WeakPolarHBondContact CG2-O 3.46Å; V161-T182 PolarHBondContact N-O 3.36Å; T182-V217 HydrophobicContact CG2-CG1 3.68Å
183A93.9Very high92.9Very high39 Ų3942.9 Ų42.932%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-86.9130.7174.400000109.8V161 V165V161-A183 HydrophobicContact CG2-CB 4.46Å; V161-A183 WeakPolarHBondContact O-CA 3.33Å; V165-A183 HydrophobicContact CG1-CB 3.75Å
184G93.4Very high93Very high12 Ų1243.7 Ų43.712%0.12426%0.264CS..  trans-164.6-178-178.800000114.5V161 P163V161-G184 PolarHBondContact O-N 3.19Å; V161-G184 VanDerWaalsContact O-N 3.09Å; P163-G184 WeakPolarHBondContact CD-O 3.41Å
185T94.6Very high93Very high37 Ų3742.4 Ų42.423%0.22726%0.256CS..  trans-130.3164.3-179.456.70000111.1P163 S190 E214P163-T185 HydrophobicContact CB-CG2 4.1Å; P163-T185 HydrophobicContact CG-CG2 3.74Å; T185-S190 WeakPolarHBondContact CA-O 3.47Å; T185-S190 WeakPolarHBondContact CB-O 3.16Å; T185-E214 WeakPolarHBondContact CB-OE1 3.45Å; T185-E214 VanDerWaalsContact O-CG 3.28Å; T185-E214 WeakPolarHBondContact O-CG 3.34Å; T185-E214 PolarHBondContact OG1-OE1 3.16Å
186V93.3Very high93Very high0 Ų038.6 Ų38.60%023%0.229CC..BIsolated β-bridgetrans-129.5164.2176.6-60.50000109.3L160 Q188 G189 S190 L192 I193 L197 I218L160-V186 HydrophobicContact CD2-CG1 4.39Å; V186-Q188 PolarHBondContact O-N 3.2Å; V186-G189 PolarHBondContact O-N 2.91Å; V186-S190 PolarHBondContact N-O 3.05Å; V186-S190 VanDerWaalsContact O-CA 3.29Å; V186-S190 WeakPolarHBondContact O-CA 3.45Å; V186-S190 WeakPolarHBondContact O-CB 3.43Å; V186-S190 PolarHBondContact O-N 2.84Å; V186-L192 WeakPolarHBondContact CG2-O 3.49Å; V186-I193 HydrophobicContact CG1-CG2 4.36Å; V186-L197 HydrophobicContact CG1-CB 4.06Å; V186-I218 HydrophobicContact CG1-CD1 4.32Å
187N92.8Very high93.1Very high16 Ų1636.3 Ų36.39%0.08622%0.217CC..THydrogen-bonded Turntrans52.843.7171.5-70.4-27.5000115.8S11 D12 G196 G207 K209 T210S11-N187 WeakPolarHBondContact CB-OD1 3.36Å; S11-N187 PolarHBondContact O-ND2 3.29Å; D12-N187 PolarHBondContact OD1-ND2 2.82Å; N187-G196 WeakPolarHBondContact ND2-CA 3.42Å; N187-G207 WeakPolarHBondContact OD1-CA 3.38Å; N187-G207 PolarHBondContact OD1-O 2.95Å; N187-K209 HydrophobicContact CB-CB 4.13Å; N187-T210 PolarHBondContact N-OG1 3.47Å; N187-T210 PolarHBondContact OD1-OG1 2.95Å
188Q91.9Very high93.1Very high140 Ų14036.5 Ų36.565%0.65422%0.218SC*.THydrogen-bonded Turntrans68.251.3-178-48.7-179.2-24.600113.8V186 K209 T211 E214V186-Q188 PolarHBondContact O-N 3.2Å; Q188-K209 HydrophobicContact CG-CB 4.16Å; Q188-K209 WeakPolarHBondContact CG-O 3.25Å; Q188-T211 HydrophobicContact CB-CG2 4.46Å; Q188-T211 HydrophobicContact CG-CG2 3.97Å; Q188-E214 PolarHBondContact N-OE2 3.04Å
189G91.4Very high93.2Very high43 Ų4329.2 Ų29.244%0.44319%0.185SC..THydrogen-bonded Turntrans88.910.8175.600000114.7V186 T191 E214V186-G189 PolarHBondContact O-N 2.91Å; G189-T191 PolarHBondContact O-N 3.46Å; G189-E214 PolarHBondContact N-OE1 2.93Å
190S93Very high93.1Very high32 Ų3228.5 Ų28.522%0.22418%0.181CC..BIsolated β-bridgetrans-64.8131.8169.6-173.10000109.8T185 V186 L192T185-S190 WeakPolarHBondContact CA-O 3.47Å; T185-S190 WeakPolarHBondContact CB-O 3.16Å; V186-S190 PolarHBondContact N-O 3.05Å; V186-S190 VanDerWaalsContact O-CA 3.29Å; V186-S190 WeakPolarHBondContact O-CA 3.45Å; V186-S190 WeakPolarHBondContact O-CB 3.43Å; V186-S190 PolarHBondContact O-N 2.84Å; S190-L192 VanDerWaalsContact C-N 3.32Å; S190-L192 PolarHBondContact OG-N 3.17Å
191T91.5Very high92.8Very high45 Ų4527.4 Ų27.428%0.27617%0.172SC..SBendtrans-85.1-9.7176.562.10000112.9Y151 H162 P163 G189 I193Y151-T191 WeakPolarHBondContact CD1-O 3.4Å; H162-T191 VanDerWaalsContact NE2-CB 3.33Å; H162-T191 WeakPolarHBondContact NE2-CB 3.37Å; P163-T191 HydrophobicContact CG-CG2 3.82Å; G189-T191 PolarHBondContact O-N 3.46Å; T191-I193 VanDerWaalsContact C-N 3.28Å; T191-I193 PolarHBondContact O-N 3.06Å
192L93.6Very high92.5Very high54 Ų5430.2 Ų30.228%0.28318%0.182SC..  trans-80.975.8178.2-56.3176.3000109.7T150 Y151 V186 S190 A194 A195 G196T150-L192 HydrophobicContact CG2-CD2 3.47Å; T150-L192 VanDerWaalsContact CG2-CD2 3.47Å; Y151-L192 HydrophobicContact CE1-CD2 3.78Å; V186-L192 WeakPolarHBondContact CG2-O 3.49Å; S190-L192 VanDerWaalsContact C-N 3.32Å; S190-L192 PolarHBondContact OG-N 3.17Å; L192-A194 PolarHBondContact O-N 3.09Å; L192-A195 HydrophobicContact CB-CB 3.86Å; L192-A195 WeakPolarHBondContact O-CB 3.08Å; L192-A195 PolarHBondContact O-N 2.89Å; L192-G196 PolarHBondContact O-N 3.29Å
193I94Very high92.3Very high0 Ų028.3 Ų28.30%017%0.172CC..Hα-helixtrans-59.9-51.7-172-66.1163.2000111.1T150 V153 L160 V161 V186 T191 A195 G196 L197T150-I193 PolarHBondContact O-N 3.37Å; V153-I193 HydrophobicContact CB-CG2 4.18Å; V153-I193 HydrophobicContact CG2-CG2 3.76Å; L160-I193 HydrophobicContact CB-CG2 4.18Å; L160-I193 HydrophobicContact CD2-CD1 4.42Å; L160-I193 HydrophobicContact CD2-CG1 4.4Å; L160-I193 HydrophobicContact CD2-CG2 3.75Å; L160-I193 HydrophobicContact CG-CD1 4.13Å; L160-I193 HydrophobicContact CG-CG2 4.17Å; V161-I193 WeakPolarHBondContact O-CD1 3.21Å; V186-I193 HydrophobicContact CG1-CG2 4.36Å; T191-I193 VanDerWaalsContact C-N 3.28Å; T191-I193 PolarHBondContact O-N 3.06Å; I193-A195 PolarHBondContact O-N 3.05Å; I193-G196 PolarHBondContact O-N 2.8Å; I193-G196 VanDerWaalsContact O-N 3.08Å; I193-L197 HydrophobicContact CG2-CB 4.39Å; I193-L197 HydrophobicContact CG2-CD2 4.11Å; I193-L197 VanDerWaalsContact O-CB 3.32Å; I193-L197 WeakPolarHBondContact O-CB 3.17Å; I193-L197 PolarHBondContact O-N 3.13Å
194A94Very high92.2Very high24 Ų2426.5 Ų26.520%0.19816%0.157CC..Hα-helixtrans-66.9-19.5-178.200000113.8G14 G149 T150 V153 L192G14-A194 WeakPolarHBondContact CA-O 3.33Å; G149-A194 WeakPolarHBondContact O-CB 3.45Å; T150-A194 PolarHBondContact O-N 2.95Å; V153-A194 VanDerWaalsContact CG2-CA 3.45Å; V153-A194 HydrophobicContact CG2-CB 3.65Å; L192-A194 PolarHBondContact O-N 3.09Å
195A93.3Very high92.1Very high6 Ų626 Ų265%0.0515%0.151CC..Hα-helixtrans-74.3-40.7173.300000111.1D12 I13 G14 V15 L192 I193D12-A195 CarbonylContact C-O 3.52Å; D12-A195 WeakPolarHBondContact CA-O 3.28Å; D12-A195 HydrophobicContact CB-CB 4.22Å; I13-A195 PolarHBondContact N-O 2.96Å; G14-A195 PolarHBondContact N-O 2.89Å; V15-A195 HydrophobicContact CG2-CB 3.85Å; L192-A195 HydrophobicContact CB-CB 3.86Å; L192-A195 WeakPolarHBondContact O-CB 3.08Å; L192-A195 PolarHBondContact O-N 2.89Å; I193-A195 PolarHBondContact O-N 3.05Å
196G92.5Very high92Very high0 Ų024.2 Ų24.20%014%0.14CC..Hα-helixtrans-95.2-10-175.500000115.6N187 L192 I193 C206 G207N187-G196 WeakPolarHBondContact ND2-CA 3.42Å; L192-G196 PolarHBondContact O-N 3.29Å; I193-G196 PolarHBondContact O-N 2.8Å; I193-G196 VanDerWaalsContact O-N 3.08Å; G196-C206 CarbonylContact O-C 3.6Å; G196-C206 WeakPolarHBondContact O-CA 3.35Å; G196-G207 PolarHBondContact O-N 3.29Å
197L93.7Very high91.9Very high3 Ų324.2 Ų24.22%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-132.3132.1-173.9-179.168.3000111V153 L160 V186 I193 V199 F205 C206 I218 F222V153-L197 HydrophobicContact CB-CD2 4.46Å; V153-L197 HydrophobicContact CG1-CD2 4.47Å; L160-L197 HydrophobicContact CD2-CD2 4.02Å; V186-L197 HydrophobicContact CG1-CB 4.06Å; I193-L197 HydrophobicContact CG2-CB 4.39Å; I193-L197 HydrophobicContact CG2-CD2 4.11Å; I193-L197 VanDerWaalsContact O-CB 3.32Å; I193-L197 WeakPolarHBondContact O-CB 3.17Å; I193-L197 PolarHBondContact O-N 3.13Å; L197-V199 HydrophobicContact CD1-CG1 3.52Å; L197-V199 HydrophobicContact CD2-CG1 4.17Å; L197-V199 HydrophobicContact CD2-CG2 4.47Å; L197-V199 HydrophobicContact CG-CG1 3.79Å; L197-V199 HydrophobicContact CG-CG2 4.45Å; L197-F205 WeakPolarHBondContact CD1-O 3.36Å; L197-C206 HydrophobicContact CD1-CB 4.32Å; L197-I218 HydrophobicContact CD1-CD1 4.04Å; L197-I218 HydrophobicContact CD1-CG1 4.41Å; L197-I218 HydrophobicContact CD1-CG2 3.73Å; L197-I218 HydrophobicContact CD2-CG1 4.33Å; L197-I218 HydrophobicContact CD2-CG2 4.36Å; L197-F222 HydrophobicContact CD2-CE2 3.66Å; L197-F222 HydrophobicContact CD2-CZ 4.19Å
198V92.3Very high91.8Very high9 Ų928.8 Ų28.86%0.05516%0.161CC..EExtended strand (participates in β ladder)trans-131.8116.6173.1177.10000107.1I13 L19 F205I13-V198 HydrophobicContact CD1-CG2 4.4Å; I13-V198 HydrophobicContact CG1-CG2 4.36Å; L19-V198 HydrophobicContact CB-CG1 3.19Å; L19-V198 HydrophobicContact CD2-CG1 4.24Å; L19-V198 HydrophobicContact CG-CG1 4.36Å; V198-F205 PolarHBondContact N-O 2.83Å; V198-F205 PolarHBondContact O-N 3.07Å
199V93Very high91.8Very high11 Ų1127.8 Ų27.87%0.06716%0.155CC..EExtended strand (participates in β ladder)trans-133.1149.4-174.4-71.70000110.4V153 T155 L197 F222V153-V199 HydrophobicContact CG1-CG2 3.32Å; T155-V199 HydrophobicContact CG2-CB 3.96Å; T155-V199 HydrophobicContact CG2-CG2 3.44Å; T155-V199 VanDerWaalsContact CG2-CG2 3.44Å; L197-V199 HydrophobicContact CD1-CG1 3.52Å; L197-V199 HydrophobicContact CD2-CG1 4.17Å; L197-V199 HydrophobicContact CD2-CG2 4.47Å; L197-V199 HydrophobicContact CG-CG1 3.79Å; L197-V199 HydrophobicContact CG-CG2 4.45Å; V199-F222 HydrophobicContact CG1-CD2 4.09Å; V199-F222 HydrophobicContact CG1-CE2 4.29Å; V199-F222 HydrophobicContact CG1-CG 4.49Å; V199-F222 HydrophobicContact CG2-CD1 4.25Å; V199-F222 HydrophobicContact CG2-CD2 4.41Å; V199-F222 HydrophobicContact CG2-CE1 3.9Å; V199-F222 HydrophobicContact CG2-CE2 4.14Å; V199-F222 HydrophobicContact CG2-CG 4.48Å; V199-F222 HydrophobicContact CG2-CZ 3.84Å
200N90.8Very high91.9Very high4 Ų425.9 Ų25.92%0.02113%0.134CC..  trans-122.9-167.91617213.5000108.3L19 N21 W202 A203L19-N200 HydrophobicContact CD2-CB 3.85Å; L19-N200 HydrophobicContact CG-CB 3.91Å; N21-N200 WeakPolarHBondContact OD1-CB 3.34Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.34Å; N200-W202 PolarHBondContact ND2-NE1 3.49Å; N200-W202 PolarHBondContact O-N 3.27Å; N200-W202 PolarHBondContact OD1-N 2.99Å; N200-A203 PolarHBondContact N-O 3.44Å; N200-A203 WeakPolarHBondContact OD1-CA 3.16Å; N200-A203 PolarHBondContact OD1-N 2.95Å; N200-A203 PolarHBondContact OD1-O 3.44Å
201D88.3Confident91.9Very high38 Ų3826.5 Ų26.520%0.20314%0.137CC..SBendtrans-71-15.3-175.4-68.2-20.2000114.6N21 T155 N156N21-D201 PolarHBondContact ND2-OD2 3Å; N21-D201 PolarHBondContact OD1-N 3.39Å; T155-D201 WeakPolarHBondContact CB-OD1 3.48Å; N156-D201 WeakPolarHBondContact CB-OD1 3.34Å; N156-D201 WeakPolarHBondContact CB-OD2 3.38Å; N156-D201 PolarHBondContact N-OD1 3.1Å; N156-D201 PolarHBondContact ND2-OD2 2.67Å
202W87.6Confident91.9Very high72 Ų7227.8 Ų27.827%0.27315%0.148SC..SBendtrans-132-18.1-17149.4-94.8000114.8L42 P43 F46 N200 M228L42-W202 HydrophobicContact CB-CH2 4.24Å; L42-W202 HydrophobicContact CD2-CH2 3.24Å; L42-W202 HydrophobicContact CD2-CZ2 4.17Å; L42-W202 HydrophobicContact CD2-CZ3 3.74Å; L42-W202 HydrophobicContact CG-CH2 4.31Å; P43-W202 HydrophobicContact CG-CH2 3.94Å; P43-W202 HydrophobicContact CG-CZ2 4.44Å; P43-W202 HydrophobicContact CG-CZ3 4.29Å; F46-W202 HydrophobicContact CD2-CH2 4.35Å; F46-W202 AromaticContact CD2-CZ2 3.96Å; F46-W202 HydrophobicContact CD2-CZ2 3.96Å; F46-W202 HydrophobicContact CE2-CH2 4.43Å; F46-W202 AromaticContact CE2-CZ2 3.74Å; F46-W202 HydrophobicContact CE2-CZ2 3.74Å; F46-W202 HydrophobicContact CZ-CZ2 4.38Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.34Å; N200-W202 PolarHBondContact ND2-NE1 3.49Å; N200-W202 PolarHBondContact O-N 3.27Å; N200-W202 PolarHBondContact OD1-N 2.99Å; W202-M228 HydrophobicContact CD2-SD 4.44Å; W202-M228 HydrophobicContact CE3-SD 3.63Å; W202-M228 HydrophobicContact CZ3-CE 4.38Å; W202-M228 HydrophobicContact CZ3-SD 4.06Å
203A89.3Confident91.8Very high10 Ų1029.7 Ų29.78%0.08316%0.161CC..  trans-134.3142.8179.300000110.8L42 N200 F205L42-A203 HydrophobicContact CD2-CB 4.5Å; N200-A203 PolarHBondContact N-O 3.44Å; N200-A203 WeakPolarHBondContact OD1-CA 3.16Å; N200-A203 PolarHBondContact OD1-N 2.95Å; N200-A203 PolarHBondContact OD1-O 3.44Å; A203-F205 HydrophobicContact CB-CE2 4.34Å
204G90.9Very high91.7Very high1 Ų130.4 Ų30.41%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-130.5140.6173.500000110.6A2 S3A2-G204 CarbonylContact C-O 3.51Å; A2-G204 VanDerWaalsContact CA-O 3.24Å; A2-G204 WeakPolarHBondContact CA-O 3.26Å; S3-G204 PolarHBondContact N-O 3.17Å
205F92.2Very high91.6Very high1 Ų130 Ų300%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-119.2131.3170.8-59.5-88.8000107.8S3 T5 I13 L19 V37 F38 E41 L42 L197 V198 A203S3-F205 CarbonylContact O-C 3.58Å; S3-F205 VanDerWaalsContact O-CA 3.32Å; S3-F205 WeakPolarHBondContact O-CA 3.24Å; T5-F205 HydrophobicContact CG2-CB 4.2Å; T5-F205 HydrophobicContact CG2-CD1 4.34Å; I13-F205 HydrophobicContact CD1-CB 3.64Å; I13-F205 VanDerWaalsContact CD1-O 3.27Å; I13-F205 WeakPolarHBondContact CD1-O 3.34Å; L19-F205 HydrophobicContact CD2-CD2 3.93Å; L19-F205 HydrophobicContact CD2-CE2 3.84Å; V37-F205 HydrophobicContact CG1-CD1 4.43Å; V37-F205 HydrophobicContact CG1-CE1 4.21Å; F38-F205 HydrophobicContact CD1-CD1 4.14Å; F38-F205 AromaticContact CD1-CD2 3.87Å; F38-F205 HydrophobicContact CD1-CD2 3.87Å; F38-F205 HydrophobicContact CD1-CE1 4.04Å; F38-F205 AromaticContact CD1-CE2 3.78Å; F38-F205 HydrophobicContact CD1-CE2 3.78Å; F38-F205 HydrophobicContact CD1-CG 4.05Å; F38-F205 AromaticContact CD1-CZ 3.86Å; F38-F205 HydrophobicContact CD1-CZ 3.86Å; F38-F205 HydrophobicContact CE1-CB 4.05Å; F38-F205 HydrophobicContact CE1-CD1 4Å; F38-F205 AromaticContact CE1-CD2 3.6Å; F38-F205 HydrophobicContact CE1-CD2 3.6Å; F38-F205 HydrophobicContact CE1-CE1 4.37Å; F38-F205 HydrophobicContact CE1-CE2 4.02Å; F38-F205 AromaticContact CE1-CG 3.59Å; F38-F205 HydrophobicContact CE1-CG 3.59Å; F38-F205 HydrophobicContact CE1-CZ 4.38Å; F38-F205 HydrophobicContact CZ-CB 4.47Å; F38-F205 HydrophobicContact CZ-CG 4.37Å; E41-F205 HydrophobicContact CB-CE1 3.75Å; E41-F205 HydrophobicContact CB-CZ 3.74Å; E41-F205 HydrophobicContact CG-CE1 4Å; E41-F205 HydrophobicContact CG-CZ 4.49Å; L42-F205 HydrophobicContact CD2-CE2 4.02Å; L42-F205 HydrophobicContact CD2-CZ 4.18Å; L42-F205 HydrophobicContact CG-CE2 4.49Å; L42-F205 HydrophobicContact CG-CZ 4.27Å; L197-F205 WeakPolarHBondContact CD1-O 3.36Å; V198-F205 PolarHBondContact N-O 2.83Å; V198-F205 PolarHBondContact O-N 3.07Å; A203-F205 HydrophobicContact CB-CE2 4.34Å
206C92.1Very high91.5Very high0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-123.6153.1175.662.40000110.3S3 R4 T5 I13 G196 L197 T210S3-C206 PolarHBondContact O-N 3.33Å; R4-C206 CarbonylContact C-O 3.6Å; R4-C206 WeakPolarHBondContact CA-O 3.39Å; T5-C206 PolarHBondContact N-O 2.86Å; I13-C206 VanDerWaalsContact CD1-C 3.49Å; G196-C206 CarbonylContact O-C 3.6Å; G196-C206 WeakPolarHBondContact O-CA 3.35Å; L197-C206 HydrophobicContact CD1-CB 4.32Å; C206-T210 HydrophobicContact CB-CG2 4.16Å
207G91.6Very high91.5Very high0 Ų038.3 Ų38.30%020%0.2CC..EExtended strand (participates in β ladder)trans-62.3148.7177.100000112.2T5 S11 N187 G196 K209 T210T5-G207 CarbonylContact O-C 3.37Å; T5-G207 WeakPolarHBondContact O-CA 3.37Å; S11-G207 WeakPolarHBondContact O-CA 3.31Å; N187-G207 WeakPolarHBondContact OD1-CA 3.38Å; N187-G207 PolarHBondContact OD1-O 2.95Å; G196-G207 PolarHBondContact O-N 3.29Å; G207-K209 PolarHBondContact O-N 3.46Å; G207-T210 WeakPolarHBondContact O-CB 3.45Å; G207-T210 PolarHBondContact O-N 3.15Å; G207-T210 PolarHBondContact O-OG1 3.09Å
208Q90.1Very high91.5Very high112 Ų11238.1 Ų38.152%0.52320%0.2SC..THydrogen-bonded Turntrans-54.1-28.4-175.9-169.8-179.425.600114.1T5 H6 T210T5-Q208 PolarHBondContact O-N 3.23Å; H6-Q208 HydrophobicContact CB-CB 4.23Å; H6-Q208 PolarHBondContact CD2-OE1 3.2Å; Q208-T210 VanDerWaalsContact C-N 3.29Å; Q208-T210 PolarHBondContact O-N 3.26Å
209K92.8Very high91.4Very high119 Ų11939.3 Ų39.352%0.51721%0.205SC..THydrogen-bonded Turntrans-77.4-12178.4-74.2177.1-173.7179.40113.3S11 N187 Q188 G207 T211S11-K209 WeakPolarHBondContact OG-CD 3.32Å; S11-K209 VanDerWaalsContact OG-CG 3.3Å; S11-K209 WeakPolarHBondContact OG-CG 3.48Å; N187-K209 HydrophobicContact CB-CB 4.13Å; Q188-K209 HydrophobicContact CG-CB 4.16Å; Q188-K209 WeakPolarHBondContact CG-O 3.25Å; G207-K209 PolarHBondContact O-N 3.46Å; K209-T211 PolarHBondContact O-N 3.21Å
210T92.7Very high91.3Very high2 Ų242.7 Ų42.71%0.01223%0.228CC..  trans-62.8122.4-176.2-530000111.3R4 N187 C206 G207 Q208 E214 I215 I218R4-T210 PolarHBondContact NE-O 3.37Å; R4-T210 PolarHBondContact NH2-O 3.47Å; R4-T210 VanDerWaalsContact NH2-O 3.08Å; N187-T210 PolarHBondContact N-OG1 3.47Å; N187-T210 PolarHBondContact OD1-OG1 2.95Å; C206-T210 HydrophobicContact CB-CG2 4.16Å; G207-T210 WeakPolarHBondContact O-CB 3.45Å; G207-T210 PolarHBondContact O-N 3.15Å; G207-T210 PolarHBondContact O-OG1 3.09Å; Q208-T210 VanDerWaalsContact C-N 3.29Å; Q208-T210 PolarHBondContact O-N 3.26Å; T210-E214 HydrophobicContact CG2-CB 3.61Å; T210-I215 HydrophobicContact CG2-CG1 3.82Å; T210-I218 HydrophobicContact CG2-CD1 4.15Å
211T93.1Very high91.4Very high45 Ų4543.2 Ų43.228%0.27623%0.231SC..  trans-71.3155.9-176.5620000111.1Q188 K209 T213 E214 I215Q188-T211 HydrophobicContact CB-CG2 4.46Å; Q188-T211 HydrophobicContact CG-CG2 3.97Å; K209-T211 PolarHBondContact O-N 3.21Å; T211-T213 PolarHBondContact O-N 2.74Å; T211-T213 PolarHBondContact OG1-OG1 3Å; T211-T213 VanDerWaalsContact OG1-OG1 3.08Å; T211-E214 WeakPolarHBondContact CB-OE2 3.45Å; T211-E214 PolarHBondContact N-OE2 3.23Å; T211-E214 PolarHBondContact O-N 3.47Å; T211-E214 VanDerWaalsContact O-N 3.12Å; T211-E214 WeakPolarHBondContact OG1-CB 3.49Å; T211-E214 WeakPolarHBondContact OG1-CG 3.42Å; T211-E214 PolarHBondContact OG1-N 3.25Å; T211-E214 PolarHBondContact OG1-OE2 2.91Å; T211-I215 WeakPolarHBondContact O-CG1 3.35Å; T211-I215 PolarHBondContact O-N 3.36Å
212S91.3Very high91.5Very high73 Ų7341.4 Ų41.451%0.5122%0.222SC..Hα-helixtrans-63.3-29.1-179.4-56.20000112.9R4 I215 Q216R4-S212 PolarHBondContact NH2-OG 2.96Å; R4-S212 VanDerWaalsContact NH2-OG 3.09Å; S212-I215 PolarHBondContact O-N 3.02Å; S212-Q216 WeakPolarHBondContact O-CG 3.46Å; S212-Q216 PolarHBondContact O-N 3.17Å
213T91.4Very high91.5Very high93 Ų9343.9 Ų43.957%0.57123%0.234SC*.Hα-helixtrans-67.9-41173.244.90000112T211 Q216 V217T211-T213 PolarHBondContact O-N 2.74Å; T211-T213 PolarHBondContact OG1-OG1 3Å; T211-T213 VanDerWaalsContact OG1-OG1 3.08Å; T213-Q216 PolarHBondContact O-N 3.4Å; T213-V217 WeakPolarHBondContact O-CG2 3.36Å; T213-V217 PolarHBondContact O-N 3.43Å
214E93.1Very high91.1Very high15 Ų1543.6 Ų43.67%0.0723%0.231CC..Hα-helixtrans-65.1-40.9174.5-70.9166.3145.500110.8T185 Q188 G189 T210 T211 Q216 V217 I218T185-E214 WeakPolarHBondContact CB-OE1 3.45Å; T185-E214 VanDerWaalsContact O-CG 3.28Å; T185-E214 WeakPolarHBondContact O-CG 3.34Å; T185-E214 PolarHBondContact OG1-OE1 3.16Å; Q188-E214 PolarHBondContact N-OE2 3.04Å; G189-E214 PolarHBondContact N-OE1 2.93Å; T210-E214 HydrophobicContact CG2-CB 3.61Å; T211-E214 WeakPolarHBondContact CB-OE2 3.45Å; T211-E214 PolarHBondContact N-OE2 3.23Å; T211-E214 PolarHBondContact O-N 3.47Å; T211-E214 VanDerWaalsContact O-N 3.12Å; T211-E214 WeakPolarHBondContact OG1-CB 3.49Å; T211-E214 WeakPolarHBondContact OG1-CG 3.42Å; T211-E214 PolarHBondContact OG1-N 3.25Å; T211-E214 PolarHBondContact OG1-OE2 2.91Å; E214-Q216 PolarHBondContact O-N 2.89Å; E214-V217 PolarHBondContact O-N 2.96Å; E214-I218 WeakPolarHBondContact O-CD1 3.43Å; E214-I218 VanDerWaalsContact O-CG1 3.28Å; E214-I218 WeakPolarHBondContact O-CG1 3.4Å; E214-I218 PolarHBondContact O-N 2.74Å
215I91.8Very high89.9Confident15 Ų1549.5 Ų49.58%0.07726%0.262CS..Hα-helixtrans-60.6-44.6176.2-69-177.6000111.6A2 R4 T210 T211 S212 V217 I218 E219A2-I215 HydrophobicContact CB-CG2 4.26Å; R4-I215 HydrophobicContact CG-CD1 3.81Å; R4-I215 VanDerWaalsContact CZ-CD1 3.43Å; R4-I215 VanDerWaalsContact NE-CD1 3.27Å; T210-I215 HydrophobicContact CG2-CG1 3.82Å; T211-I215 WeakPolarHBondContact O-CG1 3.35Å; T211-I215 PolarHBondContact O-N 3.36Å; S212-I215 PolarHBondContact O-N 3.02Å; I215-V217 VanDerWaalsContact C-N 3.25Å; I215-V217 PolarHBondContact O-N 3.43Å; I215-I218 CarbonylContact O-C 3.56Å; I215-I218 WeakPolarHBondContact O-CB 3.24Å; I215-I218 PolarHBondContact O-N 2.94Å; I215-I218 VanDerWaalsContact O-N 3.09Å; I215-E219 HydrophobicContact CG2-CG 3.94Å; I215-E219 WeakPolarHBondContact O-CB 3.47Å; I215-E219 WeakPolarHBondContact O-CG 3.32Å; I215-E219 PolarHBondContact O-N 3.18Å
216Q91.9Very high88Confident128 Ų12850.8 Ų50.860%0.59828%0.276SS*.Hα-helixtrans-59-38.3177.4-75.3172.3-13.600112.4S212 T213 E214 S220S212-Q216 WeakPolarHBondContact O-CG 3.46Å; S212-Q216 PolarHBondContact O-N 3.17Å; T213-Q216 PolarHBondContact O-N 3.4Å; E214-Q216 PolarHBondContact O-N 2.89Å; Q216-S220 VanDerWaalsContact O-CB 3.3Å; Q216-S220 WeakPolarHBondContact O-CB 3.26Å; Q216-S220 PolarHBondContact O-N 3.37Å; Q216-S220 PolarHBondContact O-OG 3.28Å
217V92.4Very high85.7Confident53 Ų5358.5 Ų58.532%0.32131%0.312SS..Hα-helixtrans-66.5-43.4175.2176.20000110.8L160 T182 T213 E214 I215 S220 I221L160-V217 HydrophobicContact CD1-CG1 4.14Å; T182-V217 HydrophobicContact CG2-CG1 3.68Å; T213-V217 WeakPolarHBondContact O-CG2 3.36Å; T213-V217 PolarHBondContact O-N 3.43Å; E214-V217 PolarHBondContact O-N 2.96Å; I215-V217 VanDerWaalsContact C-N 3.25Å; I215-V217 PolarHBondContact O-N 3.43Å; V217-S220 WeakPolarHBondContact CA-OG 3.17Å; V217-S220 PolarHBondContact O-OG 2.88Å; V217-I221 VanDerWaalsContact O-CG2 3.29Å; V217-I221 WeakPolarHBondContact O-CG2 3.48Å; V217-I221 PolarHBondContact O-N 2.85Å
218I92.5Very high83.4Confident0 Ų062.2 Ų62.20%033%0.33CS..Hα-helixtrans-62.8-49.3177.2-67.6159.8000110.8A2 L160 V186 L197 T210 E214 I215 S220 I221 F222 L224A2-I218 HydrophobicContact CB-CG2 4.38Å; L160-I218 HydrophobicContact CD2-CG1 4.04Å; V186-I218 HydrophobicContact CG1-CD1 4.32Å; L197-I218 HydrophobicContact CD1-CD1 4.04Å; L197-I218 HydrophobicContact CD1-CG1 4.41Å; L197-I218 HydrophobicContact CD1-CG2 3.73Å; L197-I218 HydrophobicContact CD2-CG1 4.33Å; L197-I218 HydrophobicContact CD2-CG2 4.36Å; T210-I218 HydrophobicContact CG2-CD1 4.15Å; E214-I218 WeakPolarHBondContact O-CD1 3.43Å; E214-I218 VanDerWaalsContact O-CG1 3.28Å; E214-I218 WeakPolarHBondContact O-CG1 3.4Å; E214-I218 PolarHBondContact O-N 2.74Å; I215-I218 CarbonylContact O-C 3.56Å; I215-I218 WeakPolarHBondContact O-CB 3.24Å; I215-I218 PolarHBondContact O-N 2.94Å; I215-I218 VanDerWaalsContact O-N 3.09Å; I218-S220 VanDerWaalsContact C-N 3.34Å; I218-S220 PolarHBondContact O-N 3.09Å; I218-I221 WeakPolarHBondContact O-CG2 3.16Å; I218-I221 PolarHBondContact O-N 3.47Å; I218-F222 HydrophobicContact CG2-CD2 3.78Å; I218-F222 HydrophobicContact CG2-CE2 4.19Å; I218-F222 WeakPolarHBondContact O-CB 3.11Å; I218-F222 WeakPolarHBondContact O-CD2 3.39Å; I218-F222 PolarHBondContact O-N 3.11Å; I218-L224 HydrophobicContact CG2-CD1 4.32Å
219E91.5Very high80.7Confident34 Ų3462.5 Ų62.516%0.15934%0.336CS..Hα-helixtrans-64.1-40-178.2-70.6-178.1145.400111.8M1 A2 I215 K223 L224M1-E219 WeakPolarHBondContact CA-OE1 3.49Å; M1-E219 VanDerWaalsContact CG-OE1 3.29Å; M1-E219 WeakPolarHBondContact CG-OE1 3.25Å; A2-E219 HydrophobicContact CB-CG 3.88Å; A2-E219 PolarHBondContact N-OE1 3.23Å; I215-E219 HydrophobicContact CG2-CG 3.94Å; I215-E219 WeakPolarHBondContact O-CB 3.47Å; I215-E219 WeakPolarHBondContact O-CG 3.32Å; I215-E219 PolarHBondContact O-N 3.18Å; E219-K223 VanDerWaalsContact O-CA 3.31Å; E219-K223 WeakPolarHBondContact O-CA 3.37Å; E219-K223 PolarHBondContact O-N 2.71Å; E219-L224 HydrophobicContact CG-CB 4.36Å; E219-L224 PolarHBondContact O-N 3.24Å
220S91.1Very high78.1Confident81 Ų8160.6 Ų60.657%0.56633%0.334SS*.Hα-helixtrans-68.9-42.3178.256.70000113.3Q216 V217 I218Q216-S220 VanDerWaalsContact O-CB 3.3Å; Q216-S220 WeakPolarHBondContact O-CB 3.26Å; Q216-S220 PolarHBondContact O-N 3.37Å; Q216-S220 PolarHBondContact O-OG 3.28Å; V217-S220 WeakPolarHBondContact CA-OG 3.17Å; V217-S220 PolarHBondContact O-OG 2.88Å; I218-S220 VanDerWaalsContact C-N 3.34Å; I218-S220 PolarHBondContact O-N 3.09Å
221I91.5Very high75.5Confident16 Ų1666.5 Ų66.58%0.08237%0.365CS..Hα-helixtrans-73.8-38.4-178.2-166.357.7000112.5G159 P180 V217 I218 K223G159-I221 WeakPolarHBondContact O-CG1 3.41Å; P180-I221 HydrophobicContact CB-CD1 3.97Å; P180-I221 HydrophobicContact CG-CD1 4.31Å; P180-I221 WeakPolarHBondContact O-CD1 3.19Å; V217-I221 VanDerWaalsContact O-CG2 3.29Å; V217-I221 WeakPolarHBondContact O-CG2 3.48Å; V217-I221 PolarHBondContact O-N 2.85Å; I218-I221 WeakPolarHBondContact O-CG2 3.16Å; I218-I221 PolarHBondContact O-N 3.47Å; I221-K223 VanDerWaalsContact C-N 3.32Å
222F91Very high73.3Confident0 Ų067.2 Ų67.20%037%0.369CS..Hα-helixtrans-88.3-0.7179.4-65.6-62.9000113.1V153 T155 G158 L160 L197 V199 I218 L224V153-F222 HydrophobicContact CG1-CZ 4.33Å; T155-F222 HydrophobicContact CG2-CD1 3.56Å; T155-F222 HydrophobicContact CG2-CE1 3.65Å; T155-F222 VanDerWaalsContact OG1-CD1 3.28Å; T155-F222 WeakPolarHBondContact OG1-CD1 3.26Å; G158-F222 WeakPolarHBondContact O-CE1 3.06Å; L160-F222 HydrophobicContact CB-CE2 3.99Å; L160-F222 HydrophobicContact CB-CZ 3.88Å; L197-F222 HydrophobicContact CD2-CE2 3.66Å; L197-F222 HydrophobicContact CD2-CZ 4.19Å; V199-F222 HydrophobicContact CG1-CD2 4.09Å; V199-F222 HydrophobicContact CG1-CE2 4.29Å; V199-F222 HydrophobicContact CG1-CG 4.49Å; V199-F222 HydrophobicContact CG2-CD1 4.25Å; V199-F222 HydrophobicContact CG2-CD2 4.41Å; V199-F222 HydrophobicContact CG2-CE1 3.9Å; V199-F222 HydrophobicContact CG2-CE2 4.14Å; V199-F222 HydrophobicContact CG2-CG 4.48Å; V199-F222 HydrophobicContact CG2-CZ 3.84Å; I218-F222 HydrophobicContact CG2-CD2 3.78Å; I218-F222 HydrophobicContact CG2-CE2 4.19Å; I218-F222 WeakPolarHBondContact O-CB 3.11Å; I218-F222 WeakPolarHBondContact O-CD2 3.39Å; I218-F222 PolarHBondContact O-N 3.11Å; F222-L224 VanDerWaalsContact C-N 3.26Å; F222-L224 HydrophobicContact CB-CD1 4.17Å; F222-L224 HydrophobicContact CB-CD2 4.22Å; F222-L224 HydrophobicContact CB-CG 3.79Å; F222-L224 PolarHBondContact O-N 3.16Å
223K87.5Confident71.1Confident123 Ų12366.3 Ų66.354%0.53537%0.366SS..THydrogen-bonded Turntrans50.345.7-177.1-56.7179.5-169.6159.90112.4Q157 E219 I221 D225Q157-K223 VanDerWaalsContact OE1-NZ 3.11Å; E219-K223 VanDerWaalsContact O-CA 3.31Å; E219-K223 WeakPolarHBondContact O-CA 3.37Å; E219-K223 PolarHBondContact O-N 2.71Å; I221-K223 VanDerWaalsContact C-N 3.32Å; K223-D225 PolarHBondContact O-N 3.21Å
224L80.8Confident69Low4 Ų466.1 Ų66.12%0.02136%0.361CS..  trans-75.213.3179.7-61.5174.5000112.9M1 A2 I218 E219 F222 G226M1-L224 PolarHBondContact N-O 2.68Å; A2-L224 HydrophobicContact CB-CD1 4.04Å; I218-L224 HydrophobicContact CG2-CD1 4.32Å; E219-L224 HydrophobicContact CG-CB 4.36Å; E219-L224 PolarHBondContact O-N 3.24Å; F222-L224 VanDerWaalsContact C-N 3.26Å; F222-L224 HydrophobicContact CB-CD1 4.17Å; F222-L224 HydrophobicContact CB-CD2 4.22Å; F222-L224 HydrophobicContact CB-CG 3.79Å; F222-L224 PolarHBondContact O-N 3.16Å; L224-G226 PolarHBondContact O-N 3.35Å
225D66.2Low67.1Low125 Ų12568.5 Ų68.567%0.66838%0.379SS*.SBendtrans-71.177.4176.6-74.2-26.3000110.3K223 E227K223-D225 PolarHBondContact O-N 3.21Å; D225-E227 VanDerWaalsContact C-N 3.31Å; D225-E227 PolarHBondContact O-N 2.99Å
226G50.9Low65.3Low28 Ų2873.6 Ų73.629%0.28940%0.404SS..SBendtrans58.420140.200000118.9L224 M228 N229 V230L224-G226 PolarHBondContact O-N 3.35Å; G226-M228 PolarHBondContact O-N 2.74Å; G226-N229 CarbonylContact O-C 3.58Å; G226-N229 VanDerWaalsContact O-CA 3.3Å; G226-N229 WeakPolarHBondContact O-CA 3.39Å; G226-N229 VanDerWaalsContact O-CB 3.25Å; G226-N229 WeakPolarHBondContact O-CB 3.25Å; G226-N229 PolarHBondContact O-N 3.25Å; G226-V230 PolarHBondContact O-N 3.02Å
227E44.3Very low63.6Low162 Ų16273.1 Ų73.176%0.75740%0.402SS*.Hα-helixtrans-63.6-20168.1-78.5-165.6168.200111.9D225 N229 V230 L231D225-E227 VanDerWaalsContact C-N 3.31Å; D225-E227 PolarHBondContact O-N 2.99Å; E227-N229 VanDerWaalsContact C-N 3.31Å; E227-V230 WeakPolarHBondContact O-CB 3.34Å; E227-V230 PolarHBondContact O-N 3.12Å; E227-L231 PolarHBondContact O-N 3.5Å; E227-L231 VanDerWaalsContact O-N 3.12Å
228M42.6Very low62.5Low78 Ų7875.7 Ų75.738%0.38441%0.414SS..Hα-helixtrans-70.5-25.7166.7-149.2163.3138.600112.7P43 W202 G226 V230 V232P43-M228 HydrophobicContact CG-CE 4.15Å; W202-M228 HydrophobicContact CD2-SD 4.44Å; W202-M228 HydrophobicContact CE3-SD 3.63Å; W202-M228 HydrophobicContact CZ3-CE 4.38Å; W202-M228 HydrophobicContact CZ3-SD 4.06Å; G226-M228 PolarHBondContact O-N 2.74Å; M228-V230 VanDerWaalsContact C-N 3.32Å; M228-V232 WeakPolarHBondContact O-CB 3.33Å; M228-V232 WeakPolarHBondContact O-CG2 3.41Å; M228-V232 PolarHBondContact O-N 3.43Å
229N34.3Very low61.4Low118 Ų11878.3 Ų78.363%0.63144%0.436SS*.Hα-helixtrans-73.7-21.8165.4-83.5-20.6000112.3G226 E227 A233G226-N229 CarbonylContact O-C 3.58Å; G226-N229 VanDerWaalsContact O-CA 3.3Å; G226-N229 WeakPolarHBondContact O-CA 3.39Å; G226-N229 VanDerWaalsContact O-CB 3.25Å; G226-N229 WeakPolarHBondContact O-CB 3.25Å; G226-N229 PolarHBondContact O-N 3.25Å; E227-N229 VanDerWaalsContact C-N 3.31Å; N229-A233 WeakPolarHBondContact O-CA 3.3Å; N229-A233 WeakPolarHBondContact O-CB 3.39Å; N229-A233 PolarHBondContact O-N 3.29Å
230V39Very low60.3Low80 Ų8081.6 Ų81.649%0.48545%0.454SS..Hα-helixtrans-75.3-44.2174.9-176.30000110.2G226 E227 M228 A233 D234G226-V230 PolarHBondContact O-N 3.02Å; E227-V230 WeakPolarHBondContact O-CB 3.34Å; E227-V230 PolarHBondContact O-N 3.12Å; M228-V230 VanDerWaalsContact C-N 3.32Å; V230-A233 PolarHBondContact O-N 2.66Å; V230-D234 VanDerWaalsContact O-CB 3.32Å; V230-D234 WeakPolarHBondContact O-CB 3.24Å; V230-D234 PolarHBondContact O-N 2.93Å
231L37.1Very low59.4Low125 Ų12581.3 Ų81.365%0.65445%0.449SS*.Hα-helixtrans-69.5-36.7175.6-69.5174.3000112.9E227 S235E227-L231 PolarHBondContact O-N 3.5Å; E227-L231 VanDerWaalsContact O-N 3.12Å; L231-S235 WeakPolarHBondContact O-CB 3.38Å; L231-S235 PolarHBondContact O-N 2.68Å; L231-S235 PolarHBondContact O-OG 2.92Å
232V46.5Very low58.5Low60 Ų6087.9 Ų87.936%0.36448%0.479SS..Hα-helixtrans-71.1-36.8172.7176.30000111M228 S235 M236M228-V232 WeakPolarHBondContact O-CB 3.33Å; M228-V232 WeakPolarHBondContact O-CG2 3.41Å; M228-V232 PolarHBondContact O-N 3.43Å; V232-S235 WeakPolarHBondContact CA-OG 3.5Å; V232-S235 PolarHBondContact O-OG 3.48Å; V232-M236 HydrophobicContact CG1-CE 3.89Å; V232-M236 HydrophobicContact CG1-CG 4.3Å; V232-M236 HydrophobicContact CG1-SD 4.17Å; V232-M236 WeakPolarHBondContact O-CB 3.34Å; V232-M236 WeakPolarHBondContact O-CG 3.4Å; V232-M236 PolarHBondContact O-N 3.19Å
233A45.7Very low57.5Low54 Ų5491.9 Ų91.945%0.44651%0.507SS..Hα-helixtrans-68.8-38.1173.900000112.3N229 V230 M236 H237N229-A233 WeakPolarHBondContact O-CA 3.3Å; N229-A233 WeakPolarHBondContact O-CB 3.39Å; N229-A233 PolarHBondContact O-N 3.29Å; V230-A233 PolarHBondContact O-N 2.66Å; A233-M236 PolarHBondContact O-N 3.23Å; A233-H237 WeakPolarHBondContact O-CB 3.43Å; A233-H237 PolarHBondContact O-N 3.39Å
234D47Very low56.5Low89 Ų8992.8 Ų92.848%0.47652%0.517SS..Hα-helixtrans-68.3-45176.4-82.7-11.4000110.5V230 M236 H237 D238V230-D234 VanDerWaalsContact O-CB 3.32Å; V230-D234 WeakPolarHBondContact O-CB 3.24Å; V230-D234 PolarHBondContact O-N 2.93Å; D234-M236 PolarHBondContact O-N 2.85Å; D234-H237 PolarHBondContact O-N 2.98Å; D234-H237 VanDerWaalsContact O-N 3.17Å; D234-D238 WeakPolarHBondContact O-CB 3.14Å; D234-D238 PolarHBondContact O-N 3.11Å
235S54.2Low55.4Low65 Ų6599.6 Ų99.646%0.45557%0.565SS.*Hα-helixtrans-67.1-34.1175.353.80000113L231 V232 A239L231-S235 WeakPolarHBondContact O-CB 3.38Å; L231-S235 PolarHBondContact O-N 2.68Å; L231-S235 PolarHBondContact O-OG 2.92Å; V232-S235 WeakPolarHBondContact CA-OG 3.5Å; V232-S235 PolarHBondContact O-OG 3.48Å; S235-A239 WeakPolarHBondContact O-CB 3.25Å; S235-A239 PolarHBondContact O-N 2.93Å
236M53.1Low54.9Low122 Ų12298.3 Ų98.360%0.60156%0.56SS**Hα-helixtrans-70.4-34.4170.5-77.2-172.4176.800112.3V232 A233 D234 L240V232-M236 HydrophobicContact CG1-CE 3.89Å; V232-M236 HydrophobicContact CG1-CG 4.3Å; V232-M236 HydrophobicContact CG1-SD 4.17Å; V232-M236 WeakPolarHBondContact O-CB 3.34Å; V232-M236 WeakPolarHBondContact O-CG 3.4Å; V232-M236 PolarHBondContact O-N 3.19Å; A233-M236 PolarHBondContact O-N 3.23Å; D234-M236 PolarHBondContact O-N 2.85Å; M236-L240 WeakPolarHBondContact O-CB 3.4Å; M236-L240 PolarHBondContact O-N 2.94Å
237H56.5Low55.1Low119 Ų119102 Ų10255%0.55157%0.574SS**Hα-helixtrans-68.9-46.7176.4-168.860.1000110.8A233 D234 A239 L240 V241A233-H237 WeakPolarHBondContact O-CB 3.43Å; A233-H237 PolarHBondContact O-N 3.39Å; D234-H237 PolarHBondContact O-N 2.98Å; D234-H237 VanDerWaalsContact O-N 3.17Å; H237-A239 PolarHBondContact O-N 2.93Å; H237-L240 PolarHBondContact O-N 3.31Å; H237-V241 WeakPolarHBondContact O-CB 3.48Å; H237-V241 VanDerWaalsContact O-CG2 3.26Å; H237-V241 WeakPolarHBondContact O-CG2 3.22Å; H237-V241 PolarHBondContact O-N 2.91Å
238D68.5Low55.7Low106 Ų10698.7 Ų98.757%0.56756%0.564SS**Hα-helixtrans-60.3-45.1174.7-77.5-16.1000110.9D234 L240 V241 E242D234-D238 WeakPolarHBondContact O-CB 3.14Å; D234-D238 PolarHBondContact O-N 3.11Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 3.03Å; D238-V241 PolarHBondContact O-N 3.46Å; D238-E242 PolarHBondContact O-N 3.39Å
239A69.3Low56.5Low56 Ų5699.9 Ų99.946%0.46357%0.574SS.*Hα-helixtrans-63.5-36.7175.500000112.9S235 H237 S243S235-A239 WeakPolarHBondContact O-CB 3.25Å; S235-A239 PolarHBondContact O-N 2.93Å; H237-A239 PolarHBondContact O-N 2.93Å; A239-S243 WeakPolarHBondContact O-CB 3.37Å; A239-S243 PolarHBondContact O-N 3.32Å; A239-S243 VanDerWaalsContact O-N 3.13Å
240L68.5Low57.9Low103 Ų10398.8 Ų98.854%0.53957%0.571SS.*Hα-helixtrans-70.3-40.2175.6-114.8127.5000111.9M236 H237 D238 S243 L244M236-L240 WeakPolarHBondContact O-CB 3.4Å; M236-L240 PolarHBondContact O-N 2.94Å; H237-L240 PolarHBondContact O-N 3.31Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 3.03Å; L240-S243 PolarHBondContact O-N 2.97Å; L240-S243 PolarHBondContact O-OG 2.7Å; L240-L244 HydrophobicContact CD2-CD1 4.15Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 2.94Å
241V73.6Confident59.1Low75 Ų75100 Ų10046%0.45558%0.576SS.*Hα-helixtrans-65.3-43.4177.9171.80000110.5H237 D238 S243 L244 S245H237-V241 WeakPolarHBondContact O-CB 3.48Å; H237-V241 VanDerWaalsContact O-CG2 3.26Å; H237-V241 WeakPolarHBondContact O-CG2 3.22Å; H237-V241 PolarHBondContact O-N 2.91Å; D238-V241 PolarHBondContact O-N 3.46Å; V241-S243 VanDerWaalsContact C-N 3.27Å; V241-S243 PolarHBondContact O-N 2.96Å; V241-L244 PolarHBondContact O-N 2.69Å; V241-S245 PolarHBondContact O-N 3.2Å; V241-S245 PolarHBondContact O-OG 3.1Å
242E73Confident60.7Low153 Ų15398.2 Ų98.272%0.71557%0.571SS**Hα-helixtrans-62.2-32.7173.1-77.7-170.2159.900112.8D238 L244 S245D238-E242 PolarHBondContact O-N 3.39Å; E242-L244 VanDerWaalsContact C-N 3.3Å; E242-L244 PolarHBondContact O-N 3.15Å; E242-S245 PolarHBondContact O-OG 3.24Å
243S70Confident61.8Low85 Ų85101.2 Ų101.259%0.59459%0.587SS**Hα-helixtrans-75.2-18.5177.577.20000114.2A239 L240 V241A239-S243 WeakPolarHBondContact O-CB 3.37Å; A239-S243 PolarHBondContact O-N 3.32Å; A239-S243 VanDerWaalsContact O-N 3.13Å; L240-S243 PolarHBondContact O-N 2.97Å; L240-S243 PolarHBondContact O-OG 2.7Å; V241-S243 VanDerWaalsContact C-N 3.27Å; V241-S243 PolarHBondContact O-N 2.96Å
244L66.2Low63.1Low141 Ų141105.1 Ų105.174%0.73860%0.598SS**Hα-helixtrans-101.2-12.6-177.1-72.9168.1000113.5L240 V241 E242L240-L244 HydrophobicContact CD2-CD1 4.15Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 2.94Å; V241-L244 PolarHBondContact O-N 2.69Å; E242-L244 VanDerWaalsContact C-N 3.3Å; E242-L244 PolarHBondContact O-N 3.15Å
245S57.8Low64.6Low147 Ų147106.5 Ų106.5100%1.02861%0.61SS**  trans-90.20174.363.30000112.6V241 E242V241-S245 PolarHBondContact O-N 3.2Å; V241-S245 PolarHBondContact O-OG 3.1Å; E242-S245 PolarHBondContact O-OG 3.24Å

Retrieved 245 of 245 residues in 284.6 ms (Link to these results)

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