G4VK78_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession G4VK78, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 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
1M64.9Low89.4Confident191 Ų19186.7 Ų86.794%0.94144%0.438SS*.  0-68.40-152.4172.376.600113.3S3 E4 E5M1-S3 PolarHBondContact O-N 3.13Å; M1-E4 WeakPolarHBondContact O-CB 3.47Å; M1-E4 PolarHBondContact O-N 3.42Å; M1-E4 VanDerWaalsContact O-N 3.13Å; M1-E5 PolarHBondContact O-N 2.98Å
2K73.9Confident90Very high121 Ų12186 Ų8653%0.52643%0.427SS..Hα-helixtrans-59.1-46.9-175.8-64.3-179.2-178.6179.60114.2E4 E5 L6 T271K2-E4 VanDerWaalsContact C-N 3.3Å; K2-E4 PolarHBondContact O-N 3.42Å; K2-E5 PolarHBondContact O-N 2.77Å; K2-L6 PolarHBondContact O-N 3.17Å; K2-L6 VanDerWaalsContact O-N 3.11Å; K2-T271 HydrophobicContact CB-CG2 4.41Å
3S81Confident90.6Very high90 Ų9079.4 Ų79.463%0.62939%0.394SS*.Hα-helixtrans-64.8-32.5176.2169.40000112.8M1 S7M1-S3 PolarHBondContact O-N 3.13Å; S3-S7 WeakPolarHBondContact O-CB 3.46Å; S3-S7 PolarHBondContact O-N 2.92Å; S3-S7 PolarHBondContact O-OG 3.35Å
4E90.6Very high90.9Very high143 Ų14381.4 Ų81.467%0.66841%0.406SS*.Hα-helixtrans-73.4-41.4179.2-173179.6-176.400111.8M1 K2 S7 R8M1-E4 WeakPolarHBondContact O-CB 3.47Å; M1-E4 PolarHBondContact O-N 3.42Å; M1-E4 VanDerWaalsContact O-N 3.13Å; K2-E4 VanDerWaalsContact C-N 3.3Å; K2-E4 PolarHBondContact O-N 3.42Å; E4-S7 PolarHBondContact O-N 2.97Å; E4-R8 WeakPolarHBondContact O-CB 3.42Å; E4-R8 PolarHBondContact O-N 3.4Å
5E93.1Very high91.3Very high47 Ų4784.5 Ų84.522%0.2242%0.416CS..Hα-helixtrans-61-45.5172.9178.1166.568.700111.5M1 K2 R8 L9 K253 H268M1-E5 PolarHBondContact O-N 2.98Å; K2-E5 PolarHBondContact O-N 2.77Å; E5-R8 WeakPolarHBondContact O-CB 3.12Å; E5-R8 PolarHBondContact O-N 3Å; E5-R8 IonicContact OE2-NH2 3.47Å; E5-R8 PolarHBondContact OE2-NH2 2.75Å; E5-L9 HydrophobicContact CG-CD1 4.02Å; E5-L9 HydrophobicContact CG-CG 4.46Å; E5-L9 WeakPolarHBondContact O-CG 3.32Å; E5-L9 PolarHBondContact O-N 3.41Å; E5-K253 WeakPolarHBondContact OE2-CD 3.44Å; E5-K253 WeakPolarHBondContact OE2-CE 3.4Å; E5-K253 IonicContact OE2-NZ 3.5Å; E5-K253 PolarHBondContact OE2-NZ 2.9Å; E5-H268 IonicContact OE1-CE1 2.68Å; E5-H268 IonicContact OE1-NE2 3.75Å; E5-H268 PolarHBondContact OE1-NE2 3.47Å
6L94.3Very high91.7Very high7 Ų780.3 Ų80.34%0.03740%0.396CS..Hα-helixtrans-59.8-48.5176.7-179.566.3000111.7K2 R8 L9 K10 H268 E273 V275K2-L6 PolarHBondContact O-N 3.17Å; K2-L6 VanDerWaalsContact O-N 3.11Å; L6-R8 VanDerWaalsContact C-N 3.26Å; L6-R8 PolarHBondContact O-N 2.91Å; L6-L9 PolarHBondContact O-N 3.11Å; L6-L9 VanDerWaalsContact O-N 3.17Å; L6-K10 HydrophobicContact CG-CD 4.32Å; L6-K10 WeakPolarHBondContact O-CG 3.39Å; L6-K10 PolarHBondContact O-N 3.21Å; L6-H268 HydrophobicContact CD1-CB 3.79Å; L6-E273 HydrophobicContact CD1-CB 4.32Å; L6-E273 HydrophobicContact CD2-CB 3.82Å; L6-E273 HydrophobicContact CD2-CG 4.21Å; L6-E273 WeakPolarHBondContact CD2-OE1 3.42Å; L6-E273 WeakPolarHBondContact CD2-OE2 3.43Å; L6-V275 HydrophobicContact CD1-CG2 3.73Å
7S95.6Very high91.9Very high62 Ų6277.3 Ų77.343%0.43439%0.385SS..Hα-helixtrans-59.2-37.8176.8-66.20000112.1S3 E4 S11S3-S7 WeakPolarHBondContact O-CB 3.46Å; S3-S7 PolarHBondContact O-N 2.92Å; S3-S7 PolarHBondContact O-OG 3.35Å; E4-S7 PolarHBondContact O-N 2.97Å; S7-S11 WeakPolarHBondContact O-CB 3.37Å; S7-S11 PolarHBondContact O-N 3.41Å; S7-S11 PolarHBondContact O-OG 3.48Å
8R97.1Very high92Very high145 Ų14577.1 Ų77.155%0.54738%0.379SS..Hα-helixtrans-65.7-43.9174.7-176.8-176.564.2174.1-5.2111.8E4 E5 L6 S11 Y12E4-R8 WeakPolarHBondContact O-CB 3.42Å; E4-R8 PolarHBondContact O-N 3.4Å; E5-R8 WeakPolarHBondContact O-CB 3.12Å; E5-R8 PolarHBondContact O-N 3Å; E5-R8 IonicContact OE2-NH2 3.47Å; E5-R8 PolarHBondContact OE2-NH2 2.75Å; L6-R8 VanDerWaalsContact C-N 3.26Å; L6-R8 PolarHBondContact O-N 2.91Å; R8-S11 PolarHBondContact O-N 3.43Å; R8-Y12 VanDerWaalsContact O-CB 3.31Å; R8-Y12 WeakPolarHBondContact O-CB 3.46Å; R8-Y12 PolarHBondContact O-N 2.9Å
9L98.1Very high92.2Very high3 Ų375.3 Ų75.32%0.01637%0.373CS..Hα-helixtrans-65.7-42.8178.2-69.7168.6000111.4E5 L6 S11 Y12 F13 L254 V275 Y295E5-L9 HydrophobicContact CG-CD1 4.02Å; E5-L9 HydrophobicContact CG-CG 4.46Å; E5-L9 WeakPolarHBondContact O-CG 3.32Å; E5-L9 PolarHBondContact O-N 3.41Å; L6-L9 PolarHBondContact O-N 3.11Å; L6-L9 VanDerWaalsContact O-N 3.17Å; L9-S11 PolarHBondContact O-N 3.4Å; L9-Y12 WeakPolarHBondContact O-CB 3.31Å; L9-Y12 PolarHBondContact O-N 3.15Å; L9-F13 WeakPolarHBondContact O-CD2 3.4Å; L9-F13 PolarHBondContact O-N 3.04Å; L9-L254 HydrophobicContact CD1-CD2 3.95Å; L9-V275 HydrophobicContact CB-CG1 3.87Å; L9-Y295 HydrophobicContact CD2-CE2 3.87Å
10K97.8Very high92.3Very high80 Ų8074.9 Ų74.935%0.34837%0.369SS..Hα-helixtrans-58-49.4172.7-72.4-179.1173.4-177.70111.2L6 Y12 F13 L14 Q274 V275L6-K10 HydrophobicContact CG-CD 4.32Å; L6-K10 WeakPolarHBondContact O-CG 3.39Å; L6-K10 PolarHBondContact O-N 3.21Å; K10-Y12 VanDerWaalsContact C-N 3.29Å; K10-Y12 PolarHBondContact O-N 3.37Å; K10-F13 PolarHBondContact O-N 3.03Å; K10-L14 WeakPolarHBondContact O-CG 2.91Å; K10-L14 PolarHBondContact O-N 3.35Å; K10-L14 VanDerWaalsContact O-N 3.07Å; K10-Q274 WeakPolarHBondContact CE-O 3.42Å; K10-Q274 PolarHBondContact NZ-O 3.47Å; K10-V275 HydrophobicContact CG-CG1 4.39Å
11S96.7Very high92.2Very high65 Ų6574.5 Ų74.546%0.45537%0.368SS..Hα-helixtrans-62.8-35.9177.2-57.80000112.4S7 R8 L9 K15S7-S11 WeakPolarHBondContact O-CB 3.37Å; S7-S11 PolarHBondContact O-N 3.41Å; S7-S11 PolarHBondContact O-OG 3.48Å; R8-S11 PolarHBondContact O-N 3.43Å; L9-S11 PolarHBondContact O-N 3.4Å; S11-K15 WeakPolarHBondContact O-CG 3.36Å; S11-K15 PolarHBondContact O-N 3.41Å
12Y97.5Very high93.4Very high78 Ų7866 Ų6631%0.30633%0.326SS..Hα-helixtrans-62.4-52.4176.5176-86.9000110.8R8 L9 K10 L14 K15 N16 Y295R8-Y12 VanDerWaalsContact O-CB 3.31Å; R8-Y12 WeakPolarHBondContact O-CB 3.46Å; R8-Y12 PolarHBondContact O-N 2.9Å; L9-Y12 WeakPolarHBondContact O-CB 3.31Å; L9-Y12 PolarHBondContact O-N 3.15Å; K10-Y12 VanDerWaalsContact C-N 3.29Å; K10-Y12 PolarHBondContact O-N 3.37Å; Y12-L14 VanDerWaalsContact C-N 3.32Å; Y12-L14 PolarHBondContact O-N 3.37Å; Y12-K15 CarbonylContact O-C 3.51Å; Y12-K15 PolarHBondContact O-N 3.07Å; Y12-N16 HydrophobicContact CD1-CB 4.23Å; Y12-N16 HydrophobicContact CE1-CB 3.78Å; Y12-N16 WeakPolarHBondContact O-CB 3.42Å; Y12-N16 PolarHBondContact O-N 2.77Å; Y12-N16 PolarHBondContact O-ND2 3.1Å; Y12-Y295 HydrophobicContact CD1-CD2 4.03Å; Y12-Y295 AromaticContact CE1-CD2 3.66Å; Y12-Y295 HydrophobicContact CE1-CD2 3.66Å; Y12-Y295 HydrophobicContact CE1-CG 4.18Å; Y12-Y295 HydrophobicContact CE2-CD2 4.41Å; Y12-Y295 AromaticContact CZ-CD2 3.87Å
13F97.7Very high93.8Very high0 Ų064.5 Ų64.50%033%0.331CS..Hα-helixtrans-71-25.7-178.1-75.1-68.8000113.6L9 K10 K15 N16 S17 L254 I266 V275 Y276 W290 Y295 F315L9-F13 WeakPolarHBondContact O-CD2 3.4Å; L9-F13 PolarHBondContact O-N 3.04Å; K10-F13 PolarHBondContact O-N 3.03Å; F13-K15 PolarHBondContact O-N 3.37Å; F13-N16 CarbonylContact O-C 3.38Å; F13-N16 VanDerWaalsContact O-C 3.26Å; F13-N16 PolarHBondContact O-N 2.9Å; F13-S17 WeakPolarHBondContact O-CA 3.41Å; F13-S17 WeakPolarHBondContact O-CB 3.39Å; F13-S17 PolarHBondContact O-N 2.83Å; F13-L254 HydrophobicContact CE2-CD1 3.45Å; F13-L254 VanDerWaalsContact CE2-CD1 3.45Å; F13-L254 HydrophobicContact CZ-CD1 3.58Å; F13-I266 HydrophobicContact CE2-CG2 4.49Å; F13-V275 HydrophobicContact CD2-CG1 3.62Å; F13-V275 HydrophobicContact CE2-CG1 4.04Å; F13-Y276 HydrophobicContact CB-CD1 4.46Å; F13-Y276 HydrophobicContact CB-CD2 3.69Å; F13-Y276 HydrophobicContact CB-CE2 4.33Å; F13-Y276 HydrophobicContact CB-CG 3.77Å; F13-Y276 HydrophobicContact CG-CG 4.44Å; F13-W290 HydrophobicContact CE1-CH2 4.44Å; F13-W290 AromaticContact CZ-CH2 3.96Å; F13-W290 HydrophobicContact CZ-CH2 3.96Å; F13-W290 HydrophobicContact CZ-CZ3 4.32Å; F13-Y295 HydrophobicContact CZ-CG 4.18Å; F13-F315 AromaticContact CD1-CE1 3.5Å; F13-F315 HydrophobicContact CD1-CE1 3.5Å; F13-F315 VanDerWaalsContact CD1-CE1 3.5Å; F13-F315 AromaticContact CD1-CZ 3.51Å; F13-F315 HydrophobicContact CD1-CZ 3.51Å; F13-F315 AromaticContact CE1-CE1 3.54Å; F13-F315 HydrophobicContact CE1-CE1 3.54Å; F13-F315 HydrophobicContact CE1-CZ 4.06Å; F13-F315 HydrophobicContact CG-CZ 4.32Å
14L95.1Very high93.1Very high108 Ų10863.6 Ų63.657%0.56534%0.336SS*.Hα-helixtrans-62.5-30.9168.2-72.5171000112.8K10 Y12 Y276 N319K10-L14 WeakPolarHBondContact O-CG 2.91Å; K10-L14 PolarHBondContact O-N 3.35Å; K10-L14 VanDerWaalsContact O-N 3.07Å; Y12-L14 VanDerWaalsContact C-N 3.32Å; Y12-L14 PolarHBondContact O-N 3.37Å; L14-Y276 HydrophobicContact CD2-CE2 4.21Å; L14-N319 PolarHBondContact O-ND2 3.13Å
15K96.5Very high91.9Very high127 Ų12757.9 Ų57.955%0.55231%0.308SS*.Hα-helixtrans-87.4-22.4174.8-63.8-178.7179.1-171.50113.2S11 Y12 F13 N319 L322S11-K15 WeakPolarHBondContact O-CG 3.36Å; S11-K15 PolarHBondContact O-N 3.41Å; Y12-K15 CarbonylContact O-C 3.51Å; Y12-K15 PolarHBondContact O-N 3.07Å; F13-K15 PolarHBondContact O-N 3.37Å; K15-N319 PolarHBondContact O-N 3.38Å; K15-N319 PolarHBondContact O-ND2 3.02Å; K15-L322 HydrophobicContact CB-CD1 4.26Å; K15-L322 HydrophobicContact CG-CD1 4.09Å
16N96.7Very high90.8Very high18 Ų1857.5 Ų57.510%0.09632%0.317CS..SBendtrans-12246.7-173.4-63.7-93.6000110.7Y12 F13 G316 L317 V318Y12-N16 HydrophobicContact CD1-CB 4.23Å; Y12-N16 HydrophobicContact CE1-CB 3.78Å; Y12-N16 WeakPolarHBondContact O-CB 3.42Å; Y12-N16 PolarHBondContact O-N 2.77Å; Y12-N16 PolarHBondContact O-ND2 3.1Å; F13-N16 CarbonylContact O-C 3.38Å; F13-N16 VanDerWaalsContact O-C 3.26Å; F13-N16 PolarHBondContact O-N 2.9Å; N16-G316 CarbonylContact O-C 3.57Å; N16-G316 WeakPolarHBondContact O-CA 3.34Å; N16-L317 CarbonylContact C-O 3.26Å; N16-L317 WeakPolarHBondContact CA-O 3.35Å; N16-V318 VanDerWaalsContact OD1-CG2 3.27Å; N16-V318 WeakPolarHBondContact OD1-CG2 3.26Å
17S95.4Very high90.4Very high29 Ų2957.6 Ų57.620%0.20332%0.32CS..  trans-96.3-5.9-174.4500000113.7F13 V19 Y276 L317 N319F13-S17 WeakPolarHBondContact O-CA 3.41Å; F13-S17 WeakPolarHBondContact O-CB 3.39Å; F13-S17 PolarHBondContact O-N 2.83Å; S17-V19 PolarHBondContact O-N 3.39Å; S17-Y276 WeakPolarHBondContact CB-OH 3.36Å; S17-L317 PolarHBondContact N-O 3.09Å; S17-N319 PolarHBondContact N-OD1 3.02Å; S17-N319 PolarHBondContact OG-ND2 3.39Å; S17-N319 PolarHBondContact OG-OD1 3.29Å
18R94.9Very high90.3Very high73 Ų7357.6 Ų57.628%0.27531%0.312SS..EExtended strand (participates in β ladder)trans-68.6135.8-172.9-179.4173.660.3157.1-16.9110.6G316 L317 V318 N319 D320R18-G316 PolarHBondContact O-N 3.09Å; R18-L317 HydrophobicContact CB-CB 4.11Å; R18-L317 WeakPolarHBondContact CB-O 3.45Å; R18-L317 PolarHBondContact N-O 3.11Å; R18-L317 VanDerWaalsContact N-O 3.12Å; R18-L317 PolarHBondContact O-N 3.27Å; R18-V318 PolarHBondContact NE-O 2.66Å; R18-V318 PolarHBondContact NH2-O 3.22Å; R18-N319 PolarHBondContact N-OD1 2.78Å; R18-N319 VanDerWaalsContact N-OD1 3.12Å; R18-D320 IonicContact CZ-OD1 2.66Å; R18-D320 IonicContact CZ-OD2 3.32Å; R18-D320 IonicContact NH1-OD1 3.19Å; R18-D320 IonicContact NH1-OD2 2.72Å; R18-D320 PolarHBondContact NH1-OD2 3.01Å; R18-D320 IonicContact NH2-OD1 3.34Å; R18-D320 PolarHBondContact NH2-OD1 3.28Å; R18-D320 IonicContact NH2-OD2 3.56Å; R18-D320 PolarHBondContact NH2-OD2 3.47Å
19V94.7Very high90.2Very high44 Ų4451.1 Ų51.127%0.26729%0.288SS..EExtended strand (participates in β ladder)trans-106.1136.9172-178.10000108.9S17 V278 Y299 R313 L314 F315S17-V19 PolarHBondContact O-N 3.39Å; V19-V278 HydrophobicContact CG2-CG1 4.18Å; V19-Y299 HydrophobicContact CG1-CE1 4.47Å; V19-Y299 WeakPolarHBondContact CG1-OH 3.17Å; V19-R313 HydrophobicContact CG1-CB 3.94Å; V19-R313 HydrophobicContact CG1-CG 4.42Å; V19-L314 WeakPolarHBondContact CA-O 3.23Å; V19-F315 HydrophobicContact CG2-CB 4.13Å; V19-F315 HydrophobicContact CG2-CD2 3.84Å; V19-F315 HydrophobicContact CG2-CG 4.49Å
20K93.7Very high90Very high66 Ų6654.2 Ų54.229%0.28730%0.302SS..EExtended strand (participates in β ladder)trans-118.9127.1170.9-172.9168.1176.6177.70110.4F22 T58 R313 L314 L317K20-F22 HydrophobicContact CB-CE2 4Å; K20-F22 HydrophobicContact CB-CZ 4.21Å; K20-F22 HydrophobicContact CD-CE1 4.15Å; K20-F22 HydrophobicContact CD-CE2 4.26Å; K20-F22 HydrophobicContact CD-CZ 3.64Å; K20-F22 HydrophobicContact CG-CE1 4.29Å; K20-F22 HydrophobicContact CG-CE2 3.88Å; K20-F22 HydrophobicContact CG-CZ 3.73Å; K20-F22 WeakPolarHBondContact O-CD2 3.41Å; K20-F22 WeakPolarHBondContact O-CE2 3.47Å; K20-T58 WeakPolarHBondContact CD-O 3.4Å; K20-T58 PolarHBondContact NZ-O 2.79Å; K20-R313 WeakPolarHBondContact O-CA 3.3Å; K20-L314 PolarHBondContact N-O 3.04Å; K20-L314 PolarHBondContact O-N 3.4Å; K20-L317 HydrophobicContact CB-CD1 3.7Å; K20-L317 HydrophobicContact CD-CD1 4.35Å
21D92.1Very high90Very high68 Ų6850.5 Ų50.536%0.36429%0.286SS..EExtended strand (participates in β ladder)trans-90.1136.7177.8-75.523000110.1V311 R313D21-V311 HydrophobicContact CB-CG1 4Å; D21-R313 VanDerWaalsContact OD1-CD 3.3Å; D21-R313 WeakPolarHBondContact OD1-CD 3.38Å; D21-R313 WeakPolarHBondContact OD1-CG 3.13Å; D21-R313 IonicContact OD1-NE 3.2Å; D21-R313 PolarHBondContact OD1-NE 3.22Å; D21-R313 VanDerWaalsContact OD1-NE 3.13Å; D21-R313 IonicContact OD2-CZ 2.9Å; D21-R313 IonicContact OD2-NE 2.83Å; D21-R313 PolarHBondContact OD2-NE 2.86Å; D21-R313 IonicContact OD2-NH2 3.7Å; D21-R313 PolarHBondContact OD2-NH2 3.27Å; D21-R313 VanDerWaalsContact OD2-NH2 3.08Å
22F90.1Very high90.1Very high13 Ų1348 Ų486%0.05727%0.267CS..EExtended strand (participates in β ladder)trans-123.5100175.7-59-89.6000108K20 Y25 R59 L60 I312 L314K20-F22 HydrophobicContact CB-CE2 4Å; K20-F22 HydrophobicContact CB-CZ 4.21Å; K20-F22 HydrophobicContact CD-CE1 4.15Å; K20-F22 HydrophobicContact CD-CE2 4.26Å; K20-F22 HydrophobicContact CD-CZ 3.64Å; K20-F22 HydrophobicContact CG-CE1 4.29Å; K20-F22 HydrophobicContact CG-CE2 3.88Å; K20-F22 HydrophobicContact CG-CZ 3.73Å; K20-F22 WeakPolarHBondContact O-CD2 3.41Å; K20-F22 WeakPolarHBondContact O-CE2 3.47Å; F22-Y25 HydrophobicContact CB-CD2 4.46Å; F22-Y25 HydrophobicContact CB-CE2 3.43Å; F22-Y25 VanDerWaalsContact CB-CE2 3.43Å; F22-Y25 WeakPolarHBondContact O-CD2 3.47Å; F22-Y25 WeakPolarHBondContact O-CE2 3.27Å; F22-R59 HydrophobicContact CE1-CG 4.22Å; F22-L60 HydrophobicContact CD1-CB 3.8Å; F22-L60 HydrophobicContact CD2-CB 4.26Å; F22-L60 HydrophobicContact CD2-CD1 3.88Å; F22-L60 HydrophobicContact CD2-CG 4.44Å; F22-L60 HydrophobicContact CE1-CB 3.71Å; F22-L60 HydrophobicContact CE1-CG 4.47Å; F22-L60 HydrophobicContact CE2-CB 4.17Å; F22-L60 HydrophobicContact CE2-CD1 3.9Å; F22-L60 HydrophobicContact CE2-CG 4.14Å; F22-L60 HydrophobicContact CG-CB 4.08Å; F22-L60 HydrophobicContact CG-CD1 4.38Å; F22-L60 HydrophobicContact CZ-CB 3.89Å; F22-L60 HydrophobicContact CZ-CD1 4.41Å; F22-L60 HydrophobicContact CZ-CG 4.15Å; F22-L60 VanDerWaalsContact CZ-N 3.35Å; F22-I312 WeakPolarHBondContact CB-O 3.43Å; F22-I312 PolarHBondContact N-O 3.37Å; F22-I312 PolarHBondContact O-N 3.5Å; F22-L314 HydrophobicContact CE2-CB 3.76Å; F22-L314 HydrophobicContact CE2-CD2 4.41Å
23S82Confident90.1Very high89 Ų8944.9 Ų44.962%0.62226%0.259SS*.  trans-98.6172.1-176.761.20000112.5
24G66Low90.2Very high71 Ų7146 Ų4673%0.73226%0.263SS*.  trans86.419.9178.800000114
25Y64.8Low90.3Very high23 Ų2340.9 Ų40.99%0.0924%0.236CC..  trans-983.3-179.1-49.8-37.7000115.6F22 N51 Y53 K62 G310 I312F22-Y25 HydrophobicContact CB-CD2 4.46Å; F22-Y25 HydrophobicContact CB-CE2 3.43Å; F22-Y25 VanDerWaalsContact CB-CE2 3.43Å; F22-Y25 WeakPolarHBondContact O-CD2 3.47Å; F22-Y25 WeakPolarHBondContact O-CE2 3.27Å; Y25-N51 PolarHBondContact O-ND2 2.66Å; Y25-Y53 WeakPolarHBondContact CB-OH 3.31Å; Y25-Y53 AromaticContact CD1-CE1 3.73Å; Y25-Y53 HydrophobicContact CD1-CE1 3.73Å; Y25-Y53 AromaticContact CD2-CE1 3.63Å; Y25-Y53 HydrophobicContact CD2-CE1 3.63Å; Y25-Y53 AromaticContact CD2-CZ 3.78Å; Y25-Y53 WeakPolarHBondContact CD2-OH 3.49Å; Y25-Y53 HydrophobicContact CE1-CD1 4.21Å; Y25-Y53 AromaticContact CE1-CE1 3.53Å; Y25-Y53 HydrophobicContact CE1-CE1 3.53Å; Y25-Y53 HydrophobicContact CE2-CD1 4Å; Y25-Y53 AromaticContact CE2-CE1 3.39Å; Y25-Y53 HydrophobicContact CE2-CE1 3.39Å; Y25-Y53 AromaticContact CE2-CZ 3.95Å; Y25-Y53 AromaticContact CG-CE1 3.75Å; Y25-Y53 HydrophobicContact CG-CE1 3.75Å; Y25-Y53 AromaticContact CG-CZ 3.94Å; Y25-Y53 AromaticContact CZ-CD1 3.76Å; Y25-Y53 AromaticContact CZ-CE1 3.34Å; Y25-K62 HydrophobicContact CD1-CD 4.49Å; Y25-K62 HydrophobicContact CE1-CB 4.13Å; Y25-G310 VanDerWaalsContact CB-O 3.3Å; Y25-G310 WeakPolarHBondContact CB-O 3.43Å; Y25-I312 HydrophobicContact CD2-CB 4.34Å; Y25-I312 HydrophobicContact CD2-CD1 3.88Å; Y25-I312 HydrophobicContact CD2-CG1 4.01Å; Y25-I312 HydrophobicContact CE2-CB 4.32Å; Y25-I312 HydrophobicContact CE2-CD1 4.14Å; Y25-I312 HydrophobicContact CE2-CG1 4.39Å
26G69.2Low90.3Very high39 Ų3937.4 Ų37.440%0.40223%0.227SC..  trans101.7-130.4165.100000113.1D47 Q309 G310G26-D47 WeakPolarHBondContact CA-OD2 3.34Å; G26-Q309 CarbonylContact O-C 3.57Å; G26-Q309 VanDerWaalsContact O-C 3.22Å; G26-G310 PolarHBondContact O-N 3.46Å
27G87.5Confident90.3Very high9 Ų937.8 Ų37.89%0.09323%0.231CC..SBendtrans-66.6179.1-174.400000114.9I29 D47 G310G27-I29 PolarHBondContact O-N 2.95Å; G27-D47 PolarHBondContact N-OD2 2.97Å; G27-G310 WeakPolarHBondContact O-CA 3.29Å; G27-G310 PolarHBondContact O-N 2.99Å
28K92.1Very high90.4Very high62 Ų6236.5 Ų36.527%0.2722%0.223SC..  trans-56.8127174.6-176.1168.2-179.8166.30109.4S45 S46 E302K28-S45 CarbonylContact O-C 3.21Å; K28-S45 WeakPolarHBondContact O-CA 3.5Å; K28-S45 VanDerWaalsContact O-CB 3.27Å; K28-S45 WeakPolarHBondContact O-CB 3.45Å; K28-S46 PolarHBondContact N-OG 3.38Å; K28-S46 PolarHBondContact O-N 3.21Å; K28-E302 IonicContact NZ-OE1 2.99Å; K28-E302 PolarHBondContact NZ-OE1 2.53Å
29I94.8Very high90.5Very high8 Ų835.4 Ų35.44%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-82.1122.8177.8-64.5166.9000108G27 T31 L32 V287 I312G27-I29 PolarHBondContact O-N 2.95Å; I29-T31 WeakPolarHBondContact CG2-O 3.36Å; I29-L32 HydrophobicContact CG2-CD2 3.91Å; I29-L32 HydrophobicContact CG2-CG 3.86Å; I29-V287 HydrophobicContact CG2-CG1 4.15Å; I29-I312 HydrophobicContact CD1-CD1 4.08Å; I29-I312 HydrophobicContact CD1-CG1 3.37Å
30H95.6Very high90.6Very high68 Ų6835.4 Ų35.432%0.31522%0.222SC..EExtended strand (participates in β ladder)trans-95.9-29.2177.8-66.5-62000111.9G44 S46 S72 V73 D74H30-G44 PolarHBondContact N-O 3.27Å; H30-S46 PolarHBondContact CD2-N 3.35Å; H30-S46 WeakPolarHBondContact NE2-CB 3.39Å; H30-S72 PolarHBondContact CD2-OG 2.78Å; H30-S72 PolarHBondContact NE2-OG 3.5Å; H30-V73 WeakPolarHBondContact CB-O 3.46Å; H30-D74 IonicContact CD2-OD1 2.66Å
31T97.3Very high90.8Very high2 Ų232.3 Ų32.31%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-146.7145.7-173.4-176.20000111.9I29 S43 G44 Q75 L76I29-T31 WeakPolarHBondContact CG2-O 3.36Å; T31-S43 VanDerWaalsContact O-CA 3.3Å; T31-S43 WeakPolarHBondContact O-CA 3.34Å; T31-G44 PolarHBondContact N-O 3.34Å; T31-G44 PolarHBondContact O-N 2.88Å; T31-Q75 PolarHBondContact OG1-OE1 3.44Å; T31-L76 HydrophobicContact CG2-CB 3.97Å; T31-L76 HydrophobicContact CG2-CD2 3.7Å; T31-L76 HydrophobicContact CG2-CG 3.72Å; T31-L76 WeakPolarHBondContact OG1-CG 3.28Å; T31-L76 PolarHBondContact OG1-N 3.3Å
32L97.9Very high91.1Very high13 Ų1329 Ų297%0.06819%0.191CC..EExtended strand (participates in β ladder)trans-138.9143.8177.9-71.1174.1000108.9I29 L41 A42 V287 A289 I312I29-L32 HydrophobicContact CG2-CD2 3.91Å; I29-L32 HydrophobicContact CG2-CG 3.86Å; L32-L41 HydrophobicContact CB-CD1 4.46Å; L32-L41 HydrophobicContact CD2-CD1 4.47Å; L32-L41 HydrophobicContact CD2-CD2 4.37Å; L32-L41 HydrophobicContact CD2-CG 4.5Å; L32-A42 WeakPolarHBondContact CA-O 3.29Å; L32-V287 HydrophobicContact CB-CG2 3.81Å; L32-V287 HydrophobicContact CD1-CG1 4.08Å; L32-V287 HydrophobicContact CD1-CG2 4.26Å; L32-V287 HydrophobicContact CG-CG1 4.27Å; L32-V287 HydrophobicContact CG-CG2 3.97Å; L32-A289 HydrophobicContact CB-CB 4.38Å; L32-I312 HydrophobicContact CD2-CD1 3.84Å; L32-I312 HydrophobicContact CD2-CG1 4.13Å
33G98.2Very high91.4Very high12 Ų1228.4 Ų28.412%0.12419%0.188CC..EExtended strand (participates in β ladder)trans-160.2142.617500000112.4L41 A42 W78G33-L41 CarbonylContact O-C 3.49Å; G33-L41 WeakPolarHBondContact O-CA 3.5Å; G33-L41 WeakPolarHBondContact O-CD1 3.34Å; G33-A42 PolarHBondContact N-O 3.24Å; G33-A42 VanDerWaalsContact N-O 3.12Å; G33-A42 PolarHBondContact O-N 3.06Å; G33-W78 PolarHBondContact O-NE1 2.96Å
34W98.7Very high92.1Very high25 Ų2524.2 Ų24.210%0.09516%0.158CC..EExtended strand (participates in β ladder)trans-91.4144.3172.4-67.993.1000110.6G38 R40 L41 L55 L60 A289 H291 P292 S298 L314W34-G38 WeakPolarHBondContact CZ3-O 3.18Å; W34-R40 WeakPolarHBondContact CA-O 3.44Å; W34-L41 HydrophobicContact CD2-CB 4.2Å; W34-L41 HydrophobicContact CD2-CD1 3.91Å; W34-L41 HydrophobicContact CE3-CB 3.98Å; W34-L41 HydrophobicContact CG-CD1 4.11Å; W34-L41 HydrophobicContact CH2-CB 4.06Å; W34-L41 HydrophobicContact CZ2-CB 4.26Å; W34-L41 HydrophobicContact CZ2-CD1 4.13Å; W34-L41 HydrophobicContact CZ2-CD2 4.38Å; W34-L41 HydrophobicContact CZ3-CB 3.92Å; W34-L55 HydrophobicContact CH2-CB 4.11Å; W34-L55 HydrophobicContact CH2-CD1 4.5Å; W34-L55 HydrophobicContact CH2-CD2 3.74Å; W34-L55 HydrophobicContact CH2-CG 4.32Å; W34-L55 HydrophobicContact CZ3-CB 3.88Å; W34-L55 HydrophobicContact CZ3-CD2 3.91Å; W34-L55 HydrophobicContact CZ3-CG 4.46Å; W34-L60 HydrophobicContact CH2-CD2 3.87Å; W34-L60 HydrophobicContact CZ3-CD2 4.41Å; W34-A289 PolarHBondContact NE1-O 2.77Å; W34-H291 AromaticContact CD2-CD2 3.97Å; W34-H291 AromaticContact CE3-CD2 3.72Å; W34-H291 AromaticContact CH2-CD2 3.97Å; W34-H291 AromaticContact CZ3-CD2 3.72Å; W34-P292 HydrophobicContact CB-CG 4.44Å; W34-S298 PolarHBondContact NE1-OG 2.83Å; W34-L314 HydrophobicContact CZ2-CD1 4.1Å
35N98.3Very high93.5Very high0 Ų020.8 Ų20.80%012%0.124CC..  trans-69.3163.9165.472.4-7000110.6S37 G38 S39 R40 W78 N83 P292N35-S37 PolarHBondContact ND2-OG 2.89Å; N35-S37 PolarHBondContact O-N 2.79Å; N35-S37 VanDerWaalsContact O-N 3.16Å; N35-S37 PolarHBondContact OD1-OG 3.2Å; N35-G38 PolarHBondContact O-N 3.27Å; N35-G38 WeakPolarHBondContact OD1-CA 3.2Å; N35-G38 PolarHBondContact OD1-N 3.48Å; N35-S39 PolarHBondContact ND2-OG 2.96Å; N35-S39 PolarHBondContact OD1-N 3.12Å; N35-R40 HydrophobicContact CB-CB 4.46Å; N35-R40 PolarHBondContact N-O 2.94Å; N35-R40 PolarHBondContact ND2-N 3.45Å; N35-R40 PolarHBondContact OD1-N 3.47Å; N35-R40 PolarHBondContact OD1-O 2.88Å; N35-W78 HydrophobicContact CB-CB 4.5Å; N35-W78 HydrophobicContact CB-CD2 3.54Å; N35-W78 HydrophobicContact CB-CE3 3.57Å; N35-W78 HydrophobicContact CB-CG 3.98Å; N35-W78 HydrophobicContact CB-CH2 4.33Å; N35-W78 HydrophobicContact CB-CZ2 4.27Å; N35-W78 HydrophobicContact CB-CZ3 4Å; N35-N83 WeakPolarHBondContact ND2-CB 3.29Å; N35-N83 PolarHBondContact ND2-O 2.84Å; N35-N83 PolarHBondContact ND2-OD1 2.9Å; N35-P292 WeakPolarHBondContact O-CG 3.39Å
36C97Very high94.9Very high54 Ų5421.9 Ų21.937%0.36514%0.135SC..THydrogen-bonded Turntrans-65-23.1-17262.80000114.8N83C36-N83 PolarHBondContact N-OD1 2.91Å; C36-N83 PolarHBondContact SG-OD1 2.87Å
37S96.6Very high96.1Very high25 Ų2522.4 Ų22.418%0.17513%0.128CC..THydrogen-bonded Turntrans-81.3-18.4173.264.40000114N35 S39 N83N35-S37 PolarHBondContact ND2-OG 2.89Å; N35-S37 PolarHBondContact O-N 2.79Å; N35-S37 VanDerWaalsContact O-N 3.16Å; N35-S37 PolarHBondContact OD1-OG 3.2Å; S37-S39 WeakPolarHBondContact OG-CB 3.49Å; S37-S39 PolarHBondContact OG-N 3.4Å; S37-S39 PolarHBondContact OG-OG 2.95Å; S37-N83 WeakPolarHBondContact CB-OD1 3.22Å; S37-N83 PolarHBondContact N-OD1 2.96Å; S37-N83 PolarHBondContact OG-OD1 2.76Å
38G97.1Very high96.5Very high3 Ų325.7 Ų25.73%0.03114%0.14CC..SBendtrans76.94.7-171.400000114W34 N35 R40 H291 P292W34-G38 WeakPolarHBondContact CZ3-O 3.18Å; N35-G38 PolarHBondContact O-N 3.27Å; N35-G38 WeakPolarHBondContact OD1-CA 3.2Å; N35-G38 PolarHBondContact OD1-N 3.48Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.1Å; G38-H291 VanDerWaalsContact CA-NE2 3.35Å; G38-H291 WeakPolarHBondContact CA-NE2 3.27Å; G38-H291 PolarHBondContact O-NE2 3.14Å; G38-P292 VanDerWaalsContact N-CG 3.32Å
39S96.4Very high96.7Very high50 Ų5023.6 Ų23.635%0.3513%0.131SC..SBendtrans-72.5-25.7179.769.40000113.1N35 S37 L55N35-S39 PolarHBondContact ND2-OG 2.96Å; N35-S39 PolarHBondContact OD1-N 3.12Å; S37-S39 WeakPolarHBondContact OG-CB 3.49Å; S37-S39 PolarHBondContact OG-N 3.4Å; S37-S39 PolarHBondContact OG-OG 2.95Å; S39-L55 PolarHBondContact O-N 2.93Å
40R97.2Very high96.7Very high44 Ų4423.2 Ų23.217%0.16613%0.129CC..EExtended strand (participates in β ladder)trans-129.8138.8-176.8-59.1178.9-172.5-96.99112.1W34 N35 G38 I52 Y53 W78 D84W34-R40 WeakPolarHBondContact CA-O 3.44Å; N35-R40 HydrophobicContact CB-CB 4.46Å; N35-R40 PolarHBondContact N-O 2.94Å; N35-R40 PolarHBondContact ND2-N 3.45Å; N35-R40 PolarHBondContact OD1-N 3.47Å; N35-R40 PolarHBondContact OD1-O 2.88Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.1Å; R40-I52 HydrophobicContact CB-CG2 4.22Å; R40-I52 HydrophobicContact CG-CG2 4.37Å; R40-Y53 CarbonylContact C-O 3.53Å; R40-Y53 WeakPolarHBondContact CA-O 3.47Å; R40-W78 HydrophobicContact CB-CH2 3.67Å; R40-W78 HydrophobicContact CB-CZ2 3.77Å; R40-W78 HydrophobicContact CG-CH2 4.38Å; R40-D84 IonicContact CZ-OD1 3.95Å; R40-D84 IonicContact NE-OD1 3.68Å; R40-D84 PolarHBondContact NE-OD1 2.77Å; R40-D84 IonicContact NH2-OD1 3.96Å; R40-D84 PolarHBondContact NH2-OD1 2.92Å
41L98Very high96.7Very high0 Ų020 Ų200%011%0.114CC..EExtended strand (participates in β ladder)trans-107138.8165.9179.272.2000108.2L32 G33 W34 I52 Y53 L60 I312L32-L41 HydrophobicContact CB-CD1 4.46Å; L32-L41 HydrophobicContact CD2-CD1 4.47Å; L32-L41 HydrophobicContact CD2-CD2 4.37Å; L32-L41 HydrophobicContact CD2-CG 4.5Å; G33-L41 CarbonylContact O-C 3.49Å; G33-L41 WeakPolarHBondContact O-CA 3.5Å; G33-L41 WeakPolarHBondContact O-CD1 3.34Å; W34-L41 HydrophobicContact CD2-CB 4.2Å; W34-L41 HydrophobicContact CD2-CD1 3.91Å; W34-L41 HydrophobicContact CE3-CB 3.98Å; W34-L41 HydrophobicContact CG-CD1 4.11Å; W34-L41 HydrophobicContact CH2-CB 4.06Å; W34-L41 HydrophobicContact CZ2-CB 4.26Å; W34-L41 HydrophobicContact CZ2-CD1 4.13Å; W34-L41 HydrophobicContact CZ2-CD2 4.38Å; W34-L41 HydrophobicContact CZ3-CB 3.92Å; L41-I52 CarbonylContact O-C 3.58Å; L41-I52 WeakPolarHBondContact O-CA 3.35Å; L41-Y53 HydrophobicContact CB-CD2 4.22Å; L41-Y53 HydrophobicContact CD2-CD2 4.22Å; L41-Y53 HydrophobicContact CG-CD2 4.22Å; L41-Y53 PolarHBondContact N-O 3.25Å; L41-Y53 WeakPolarHBondContact O-CD2 3.33Å; L41-Y53 PolarHBondContact O-N 3.31Å; L41-L60 HydrophobicContact CB-CD2 4.25Å; L41-L60 HydrophobicContact CD2-CD1 3.79Å; L41-L60 HydrophobicContact CD2-CD2 4.35Å; L41-I312 HydrophobicContact CD2-CD1 4.13Å; L41-I312 HydrophobicContact CD2-CG2 3.85Å
42A97.9Very high96.7Very high0 Ų019.9 Ų19.90%011%0.114CC..EExtended strand (participates in β ladder)trans-111.8150.916900000110.2L32 G33 N51 I52 L76 W78 V86L32-A42 WeakPolarHBondContact CA-O 3.29Å; G33-A42 PolarHBondContact N-O 3.24Å; G33-A42 VanDerWaalsContact N-O 3.12Å; G33-A42 PolarHBondContact O-N 3.06Å; A42-N51 CarbonylContact C-O 3.44Å; A42-N51 VanDerWaalsContact CA-O 3.29Å; A42-N51 WeakPolarHBondContact CA-O 3.15Å; A42-I52 HydrophobicContact CB-CD1 3.68Å; A42-L76 HydrophobicContact CB-CD1 4.06Å; A42-L76 HydrophobicContact CB-CD2 3.71Å; A42-W78 HydrophobicContact CB-CZ2 3.6Å; A42-V86 HydrophobicContact CB-CG2 4.27Å
43S97.4Very high96.6Very high0 Ų019.2 Ų19.20%011%0.111CC..EExtended strand (participates in β ladder)trans-134.6140169.670.90000111.6T31 V50 N51 Y53T31-S43 VanDerWaalsContact O-CA 3.3Å; T31-S43 WeakPolarHBondContact O-CA 3.34Å; S43-V50 WeakPolarHBondContact O-CA 3.43Å; S43-N51 PolarHBondContact N-O 2.94Å; S43-N51 PolarHBondContact O-N 3.09Å; S43-Y53 WeakPolarHBondContact OG-CE2 3.47Å; S43-Y53 PolarHBondContact OG-OH 3.3Å
44G96.7Very high96.4Very high0 Ų020.1 Ų20.10%012%0.115CC..EExtended strand (participates in β ladder)trans-111.8138.5167.700000110.6H30 T31 V73H30-G44 PolarHBondContact N-O 3.27Å; T31-G44 PolarHBondContact N-O 3.34Å; T31-G44 PolarHBondContact O-N 2.88Å; G44-V73 CarbonylContact C-O 3.57Å
45S95.6Very high96.3Very high0 Ų020.1 Ų20.10%012%0.116CC..EExtended strand (participates in β ladder)trans-139163.8-170.741.90000114.3K28 D47 K48 L49 V73K28-S45 CarbonylContact O-C 3.21Å; K28-S45 WeakPolarHBondContact O-CA 3.5Å; K28-S45 VanDerWaalsContact O-CB 3.27Å; K28-S45 WeakPolarHBondContact O-CB 3.45Å; S45-D47 VanDerWaalsContact CB-OD1 3.3Å; S45-D47 WeakPolarHBondContact CB-OD1 3.49Å; S45-D47 PolarHBondContact O-N 3.24Å; S45-D47 VanDerWaalsContact O-N 3.15Å; S45-D47 PolarHBondContact OG-OD1 2.86Å; S45-K48 PolarHBondContact O-N 3.19Å; S45-K48 VanDerWaalsContact O-N 3.1Å; S45-L49 PolarHBondContact N-O 2.83Å; S45-L49 PolarHBondContact OG-O 3.44Å; S45-V73 PolarHBondContact O-N 3.06Å; S45-V73 VanDerWaalsContact O-N 3.14Å
46S94.2Very high95.8Very high46 Ų4624.7 Ų24.732%0.32214%0.138SC..THydrogen-bonded Turntrans-62.1-18.117969.10000113.9K28 H30 K48K28-S46 PolarHBondContact N-OG 3.38Å; K28-S46 PolarHBondContact O-N 3.21Å; H30-S46 PolarHBondContact CD2-N 3.35Å; H30-S46 WeakPolarHBondContact NE2-CB 3.39Å; S46-K48 PolarHBondContact O-N 2.85Å
47D93.7Very high95.2Very high49 Ų4927.1 Ų27.126%0.26216%0.155SC..THydrogen-bonded Turntrans-86.414.1176.567.4-0.1000113.5G26 G27 S45 L49G26-D47 WeakPolarHBondContact CA-OD2 3.34Å; G27-D47 PolarHBondContact N-OD2 2.97Å; S45-D47 VanDerWaalsContact CB-OD1 3.3Å; S45-D47 WeakPolarHBondContact CB-OD1 3.49Å; S45-D47 PolarHBondContact O-N 3.24Å; S45-D47 VanDerWaalsContact O-N 3.15Å; S45-D47 PolarHBondContact OG-OD1 2.86Å; D47-L49 PolarHBondContact O-N 2.89Å; D47-L49 WeakPolarHBondContact OD1-CB 3.38Å; D47-L49 PolarHBondContact OD1-N 2.61Å
48K95.7Very high94.6Very high78 Ų7828.4 Ų28.434%0.33916%0.162SC..SBendtrans72.510.9172.3-37179.1175.3-156.40113.4S45 S46 N70 E71S45-K48 PolarHBondContact O-N 3.19Å; S45-K48 VanDerWaalsContact O-N 3.1Å; S46-K48 PolarHBondContact O-N 2.85Å; K48-N70 WeakPolarHBondContact CD-O 3.36Å; K48-N70 WeakPolarHBondContact CE-O 3.17Å; K48-N70 PolarHBondContact NZ-O 3.38Å; K48-E71 WeakPolarHBondContact CA-O 3.34Å; K48-E71 WeakPolarHBondContact CB-O 3.02Å; K48-E71 WeakPolarHBondContact CG-O 3.34Å; K48-E71 IonicContact NZ-OE1 3.2Å; K48-E71 PolarHBondContact NZ-OE1 2.72Å; K48-E71 IonicContact NZ-OE2 3.47Å; K48-E71 PolarHBondContact NZ-OE2 2.82Å
49L95.5Very high94.2Very high18 Ų1834.3 Ų34.39%0.09418%0.184CC..  trans-95.6145.8-177.6-60.2-179.6000112.3S45 D47 R67S45-L49 PolarHBondContact N-O 2.83Å; S45-L49 PolarHBondContact OG-O 3.44Å; D47-L49 PolarHBondContact O-N 2.89Å; D47-L49 WeakPolarHBondContact OD1-CB 3.38Å; D47-L49 PolarHBondContact OD1-N 2.61Å; L49-R67 HydrophobicContact CD2-CG 3.71Å
50V96.3Very high94.1Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-112108163.6-176.40000107.4S43 I52 F66 V73 T88 W98S43-V50 WeakPolarHBondContact O-CA 3.43Å; V50-I52 HydrophobicContact CG1-CD1 4.35Å; V50-F66 HydrophobicContact CB-CB 4.21Å; V50-F66 PolarHBondContact N-O 2.83Å; V50-F66 PolarHBondContact O-N 3.05Å; V50-V73 HydrophobicContact CG2-CG1 4.14Å; V50-V73 HydrophobicContact CG2-CG2 4Å; V50-T88 HydrophobicContact CG1-CG2 3.97Å; V50-T88 HydrophobicContact CG2-CG2 3.8Å; V50-W98 HydrophobicContact CG2-CZ2 3.86Å
51N95.7Very high93.9Very high0 Ų032.5 Ų32.50%018%0.176CC..EExtended strand (participates in β ladder)trans-100.6140.3-179.4-64.5-64.8000110.4Y25 A42 S43 Y53 K62 H64 S65Y25-N51 PolarHBondContact O-ND2 2.66Å; A42-N51 CarbonylContact C-O 3.44Å; A42-N51 VanDerWaalsContact CA-O 3.29Å; A42-N51 WeakPolarHBondContact CA-O 3.15Å; S43-N51 PolarHBondContact N-O 2.94Å; S43-N51 PolarHBondContact O-N 3.09Å; N51-Y53 HydrophobicContact CB-CE1 4.27Å; N51-Y53 HydrophobicContact CB-CE2 3.88Å; N51-Y53 WeakPolarHBondContact CB-OH 3.27Å; N51-K62 HydrophobicContact CB-CD 4.47Å; N51-K62 WeakPolarHBondContact OD1-CE 3.49Å; N51-K62 PolarHBondContact OD1-NZ 2.92Å; N51-H64 WeakPolarHBondContact CA-O 3.5Å; N51-S65 VanDerWaalsContact OD1-CB 3.27Å; N51-S65 WeakPolarHBondContact OD1-CB 3.35Å; N51-S65 PolarHBondContact OD1-OG 2.77Å
52I96Very high93.7Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-117.6133.1176.1-48.5-62.2000108.7R40 L41 A42 V50 V63 H64 F66 W78 V86R40-I52 HydrophobicContact CB-CG2 4.22Å; R40-I52 HydrophobicContact CG-CG2 4.37Å; L41-I52 CarbonylContact O-C 3.58Å; L41-I52 WeakPolarHBondContact O-CA 3.35Å; A42-I52 HydrophobicContact CB-CD1 3.68Å; V50-I52 HydrophobicContact CG1-CD1 4.35Å; I52-V63 HydrophobicContact CB-CG2 4.14Å; I52-V63 HydrophobicContact CG2-CG2 3.91Å; I52-V63 VanDerWaalsContact O-CG2 3.28Å; I52-V63 WeakPolarHBondContact O-CG2 3.34Å; I52-V63 PolarHBondContact O-N 3.05Å; I52-H64 HydrophobicContact CB-CB 4.01Å; I52-H64 HydrophobicContact CG1-CB 4.01Å; I52-H64 PolarHBondContact N-O 2.83Å; I52-H64 PolarHBondContact O-N 2.83Å; I52-F66 HydrophobicContact CD1-CE2 4.44Å; I52-F66 HydrophobicContact CG1-CD2 4.03Å; I52-F66 HydrophobicContact CG1-CE2 3.72Å; I52-W78 HydrophobicContact CD1-CH2 4.15Å; I52-W78 HydrophobicContact CD1-CZ2 4.2Å; I52-W78 HydrophobicContact CG2-CH2 4.08Å; I52-W78 HydrophobicContact CG2-CZ2 4.42Å; I52-V86 HydrophobicContact CD1-CG1 4.08Å
53Y95.7Very high93.5Very high0 Ų038.8 Ų38.80%021%0.208CC..EExtended strand (participates in β ladder)trans-119.3138.5-179.9-45.9-87.4000109.7Y25 R40 L41 S43 N51 T61 K62 I312Y25-Y53 WeakPolarHBondContact CB-OH 3.31Å; Y25-Y53 AromaticContact CD1-CE1 3.73Å; Y25-Y53 HydrophobicContact CD1-CE1 3.73Å; Y25-Y53 AromaticContact CD2-CE1 3.63Å; Y25-Y53 HydrophobicContact CD2-CE1 3.63Å; Y25-Y53 AromaticContact CD2-CZ 3.78Å; Y25-Y53 WeakPolarHBondContact CD2-OH 3.49Å; Y25-Y53 HydrophobicContact CE1-CD1 4.21Å; Y25-Y53 AromaticContact CE1-CE1 3.53Å; Y25-Y53 HydrophobicContact CE1-CE1 3.53Å; Y25-Y53 HydrophobicContact CE2-CD1 4Å; Y25-Y53 AromaticContact CE2-CE1 3.39Å; Y25-Y53 HydrophobicContact CE2-CE1 3.39Å; Y25-Y53 AromaticContact CE2-CZ 3.95Å; Y25-Y53 AromaticContact CG-CE1 3.75Å; Y25-Y53 HydrophobicContact CG-CE1 3.75Å; Y25-Y53 AromaticContact CG-CZ 3.94Å; Y25-Y53 AromaticContact CZ-CD1 3.76Å; Y25-Y53 AromaticContact CZ-CE1 3.34Å; R40-Y53 CarbonylContact C-O 3.53Å; R40-Y53 WeakPolarHBondContact CA-O 3.47Å; L41-Y53 HydrophobicContact CB-CD2 4.22Å; L41-Y53 HydrophobicContact CD2-CD2 4.22Å; L41-Y53 HydrophobicContact CG-CD2 4.22Å; L41-Y53 PolarHBondContact N-O 3.25Å; L41-Y53 WeakPolarHBondContact O-CD2 3.33Å; L41-Y53 PolarHBondContact O-N 3.31Å; S43-Y53 WeakPolarHBondContact OG-CE2 3.47Å; S43-Y53 PolarHBondContact OG-OH 3.3Å; N51-Y53 HydrophobicContact CB-CE1 4.27Å; N51-Y53 HydrophobicContact CB-CE2 3.88Å; N51-Y53 WeakPolarHBondContact CB-OH 3.27Å; Y53-T61 CarbonylContact C-O 3.6Å; Y53-T61 WeakPolarHBondContact CA-O 3.17Å; Y53-K62 HydrophobicContact CD1-CB 3.8Å; Y53-K62 HydrophobicContact CD1-CG 4.25Å; Y53-K62 HydrophobicContact CE1-CB 3.87Å; Y53-K62 HydrophobicContact CE1-CD 4.48Å; Y53-K62 HydrophobicContact CE1-CG 4.05Å; Y53-I312 HydrophobicContact CD2-CD1 4.01Å; Y53-I312 HydrophobicContact CE1-CD1 4.29Å; Y53-I312 HydrophobicContact CE2-CD1 3.34Å; Y53-I312 VanDerWaalsContact CZ-CD1 3.49Å
54S95.7Very high93.2Very high30 Ų3040.7 Ų40.721%0.2122%0.217CC..EExtended strand (participates in β ladder)trans-92.4135167.4-176.60000109.2L60 T61S54-L60 WeakPolarHBondContact O-CA 3.45Å; S54-T61 PolarHBondContact N-O 2.94Å; S54-T61 PolarHBondContact O-N 3.42Å
55L94.6Very high93.1Very high25 Ų2543.3 Ų43.313%0.13124%0.235CC..EExtended strand (participates in β ladder)trans-95112.2172-179.566.4000110.2W34 S39 L60 L296 L314W34-L55 HydrophobicContact CH2-CB 4.11Å; W34-L55 HydrophobicContact CH2-CD1 4.5Å; W34-L55 HydrophobicContact CH2-CD2 3.74Å; W34-L55 HydrophobicContact CH2-CG 4.32Å; W34-L55 HydrophobicContact CZ3-CB 3.88Å; W34-L55 HydrophobicContact CZ3-CD2 3.91Å; W34-L55 HydrophobicContact CZ3-CG 4.46Å; S39-L55 PolarHBondContact O-N 2.93Å; L55-L60 HydrophobicContact CB-CD2 4.01Å; L55-L60 HydrophobicContact CD1-CD2 3.99Å; L55-L60 HydrophobicContact CD1-CG 4.23Å; L55-L296 HydrophobicContact CD2-CD1 4.11Å; L55-L314 HydrophobicContact CD1-CD2 3.99Å
56E89.5Confident93Very high96 Ų9644.1 Ų44.145%0.44924%0.238SC..EExtended strand (participates in β ladder)trans-109.6104.3171.3-69174.3178.900108.7T58 R59E56-T58 VanDerWaalsContact C-N 3.29Å; E56-T58 PolarHBondContact O-N 3.17Å; E56-R59 PolarHBondContact N-O 2.75Å; E56-R59 PolarHBondContact O-N 2.79Å; E56-R59 IonicContact OE2-CZ 3.96Å; E56-R59 IonicContact OE2-NH2 2.86Å; E56-R59 PolarHBondContact OE2-NH2 2.85Å
57S83.3Confident93Very high105 Ų10551.1 Ų51.173%0.73426%0.258SS*.THydrogen-bonded Turntrans53.1-77.2-17667.20000114.7
58T84Confident93Very high53 Ų5350.2 Ų50.233%0.32526%0.26SS..THydrogen-bonded Turntrans-130.88.9-177.565.60000113.1K20 E56 L317K20-T58 WeakPolarHBondContact CD-O 3.4Å; K20-T58 PolarHBondContact NZ-O 2.79Å; E56-T58 VanDerWaalsContact C-N 3.29Å; E56-T58 PolarHBondContact O-N 3.17Å; T58-L317 HydrophobicContact CG2-CD2 3.93Å
59R89.9Confident93Very high126 Ų12646.9 Ų46.948%0.47525%0.246SC..EExtended strand (participates in β ladder)trans-123.5120.7-178-173.7179.865.3-134.1-6.1110.9F22 E56 T61F22-R59 HydrophobicContact CE1-CG 4.22Å; E56-R59 PolarHBondContact N-O 2.75Å; E56-R59 PolarHBondContact O-N 2.79Å; E56-R59 IonicContact OE2-CZ 3.96Å; E56-R59 IonicContact OE2-NH2 2.86Å; E56-R59 PolarHBondContact OE2-NH2 2.85Å; R59-T61 PolarHBondContact NE-OG1 3.11Å
60L93.8Very high93Very high5 Ų551.4 Ų51.43%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-77.8128.5161.9-70.1171.6000109.6F22 W34 L41 S54 L55 I312F22-L60 HydrophobicContact CD1-CB 3.8Å; F22-L60 HydrophobicContact CD2-CB 4.26Å; F22-L60 HydrophobicContact CD2-CD1 3.88Å; F22-L60 HydrophobicContact CD2-CG 4.44Å; F22-L60 HydrophobicContact CE1-CB 3.71Å; F22-L60 HydrophobicContact CE1-CG 4.47Å; F22-L60 HydrophobicContact CE2-CB 4.17Å; F22-L60 HydrophobicContact CE2-CD1 3.9Å; F22-L60 HydrophobicContact CE2-CG 4.14Å; F22-L60 HydrophobicContact CG-CB 4.08Å; F22-L60 HydrophobicContact CG-CD1 4.38Å; F22-L60 HydrophobicContact CZ-CB 3.89Å; F22-L60 HydrophobicContact CZ-CD1 4.41Å; F22-L60 HydrophobicContact CZ-CG 4.15Å; F22-L60 VanDerWaalsContact CZ-N 3.35Å; W34-L60 HydrophobicContact CH2-CD2 3.87Å; W34-L60 HydrophobicContact CZ3-CD2 4.41Å; L41-L60 HydrophobicContact CB-CD2 4.25Å; L41-L60 HydrophobicContact CD2-CD1 3.79Å; L41-L60 HydrophobicContact CD2-CD2 4.35Å; S54-L60 WeakPolarHBondContact O-CA 3.45Å; L55-L60 HydrophobicContact CB-CD2 4.01Å; L55-L60 HydrophobicContact CD1-CD2 3.99Å; L55-L60 HydrophobicContact CD1-CG 4.23Å; L60-I312 HydrophobicContact CD1-CG2 3.96Å
61T93.2Very high93.1Very high52 Ų5255.8 Ų55.832%0.31929%0.29SS..EExtended strand (participates in β ladder)trans-123.2123.5175.5-51.30000108.7Y53 S54 R59 V63Y53-T61 CarbonylContact C-O 3.6Å; Y53-T61 WeakPolarHBondContact CA-O 3.17Å; S54-T61 PolarHBondContact N-O 2.94Å; S54-T61 PolarHBondContact O-N 3.42Å; R59-T61 PolarHBondContact NE-OG1 3.11Å; T61-V63 PolarHBondContact O-N 3.1Å
62K93Very high93.1Very high68 Ų6856.6 Ų56.630%0.29630%0.296SS..EExtended strand (participates in β ladder)trans-65.7119.8176.2-174-179.9-66.6-165.60109.4Y25 N51 Y53Y25-K62 HydrophobicContact CD1-CD 4.49Å; Y25-K62 HydrophobicContact CE1-CB 4.13Å; N51-K62 HydrophobicContact CB-CD 4.47Å; N51-K62 WeakPolarHBondContact OD1-CE 3.49Å; N51-K62 PolarHBondContact OD1-NZ 2.92Å; Y53-K62 HydrophobicContact CD1-CB 3.8Å; Y53-K62 HydrophobicContact CD1-CG 4.25Å; Y53-K62 HydrophobicContact CE1-CB 3.87Å; Y53-K62 HydrophobicContact CE1-CD 4.48Å; Y53-K62 HydrophobicContact CE1-CG 4.05Å
63V92.9Very high93.1Very high63 Ų6356.6 Ų56.638%0.38230%0.296SS..EExtended strand (participates in β ladder)trans-107.1-29.5-179.7-690000112.7I52 T61I52-V63 HydrophobicContact CB-CG2 4.14Å; I52-V63 HydrophobicContact CG2-CG2 3.91Å; I52-V63 VanDerWaalsContact O-CG2 3.28Å; I52-V63 WeakPolarHBondContact O-CG2 3.34Å; I52-V63 PolarHBondContact O-N 3.05Å; T61-V63 PolarHBondContact O-N 3.1Å
64H92.7Very high93.2Very high40 Ų4058 Ų5819%0.18530%0.304CS..EExtended strand (participates in β ladder)trans-136.3150.9172.6-63.5-82.1000111.6N51 I52 F66 C100N51-H64 WeakPolarHBondContact CA-O 3.5Å; I52-H64 HydrophobicContact CB-CB 4.01Å; I52-H64 HydrophobicContact CG1-CB 4.01Å; I52-H64 PolarHBondContact N-O 2.83Å; I52-H64 PolarHBondContact O-N 2.83Å; H64-F66 HydrophobicContact CB-CD2 4.24Å; H64-F66 HydrophobicContact CB-CE1 4.38Å; H64-F66 HydrophobicContact CB-CE2 3.85Å; H64-F66 HydrophobicContact CB-CZ 3.92Å; H64-F66 AromaticContact CG-CZ 3.88Å; H64-C100 PolarHBondContact NE2-O 2.95Å; H64-C100 VanDerWaalsContact NE2-O 3.08Å
65S93.2Very high93.3Very high55 Ų5558.4 Ų58.439%0.38530%0.302SS..EExtended strand (participates in β ladder)trans-134.697.4165.8-169.40000106.9N51N51-S65 VanDerWaalsContact OD1-CB 3.27Å; N51-S65 WeakPolarHBondContact OD1-CB 3.35Å; N51-S65 PolarHBondContact OD1-OG 2.77Å
66F95.2Very high93.5Very high17 Ų1757.6 Ų57.68%0.07530%0.298CS..EExtended strand (participates in β ladder)trans-83.4138.1-178.1-67.4-60.8000110.6V50 I52 H64 W98V50-F66 HydrophobicContact CB-CB 4.21Å; V50-F66 PolarHBondContact N-O 2.83Å; V50-F66 PolarHBondContact O-N 3.05Å; I52-F66 HydrophobicContact CD1-CE2 4.44Å; I52-F66 HydrophobicContact CG1-CD2 4.03Å; I52-F66 HydrophobicContact CG1-CE2 3.72Å; H64-F66 HydrophobicContact CB-CD2 4.24Å; H64-F66 HydrophobicContact CB-CE1 4.38Å; H64-F66 HydrophobicContact CB-CE2 3.85Å; H64-F66 HydrophobicContact CB-CZ 3.92Å; H64-F66 AromaticContact CG-CZ 3.88Å; F66-W98 HydrophobicContact CB-CD2 4.15Å; F66-W98 HydrophobicContact CB-CE3 3.53Å; F66-W98 HydrophobicContact CB-CH2 4.18Å; F66-W98 HydrophobicContact CB-CZ3 3.56Å; F66-W98 HydrophobicContact CD1-CE3 4.08Å; F66-W98 HydrophobicContact CD2-CB 4.19Å; F66-W98 HydrophobicContact CD2-CD2 4.38Å; F66-W98 HydrophobicContact CD2-CE3 4.2Å; F66-W98 HydrophobicContact CD2-CG 4.41Å; F66-W98 HydrophobicContact CE2-CB 4.17Å; F66-W98 HydrophobicContact CG-CD2 4.31Å; F66-W98 AromaticContact CG-CE3 3.71Å; F66-W98 HydrophobicContact CG-CE3 3.71Å; F66-W98 HydrophobicContact CG-CZ3 4.2Å
67R94.1Very high93.9Very high194 Ų19454.1 Ų54.173%0.73228%0.284SS*.  trans-116.2140.9174.4-65.7178.6180-83.3-2107.9L49L49-R67 HydrophobicContact CD2-CG 3.71Å
68G92.5Very high94.7Very high29 Ų2950.1 Ų50.130%0.29925%0.253SS..  trans162.7-26.1176.500000113.5R96G68-R96 PolarHBondContact O-NE 2.88Å; G68-R96 PolarHBondContact O-NH2 3.37Å
69H96Very high95.4Very high9 Ų949.3 Ų49.34%0.04225%0.245CC..  trans-68.6138.8165.5-81.7-71.5000110.7V73 T88 D92 R96 W98H69-V73 HydrophobicContact CB-CG2 3.96Å; H69-V73 VanDerWaalsContact CD2-CG2 3.48Å; H69-V73 WeakPolarHBondContact CD2-CG2 3.12Å; H69-T88 PolarHBondContact NE2-OG1 2.69Å; H69-D92 VanDerWaalsContact CA-OD2 3.26Å; H69-D92 WeakPolarHBondContact CA-OD2 3.43Å; H69-D92 IonicContact CE1-OD1 3.95Å; H69-D92 PolarHBondContact CE1-OD1 2.95Å; H69-D92 IonicContact CG-OD2 3.34Å; H69-D92 IonicContact ND1-OD1 3.28Å; H69-D92 PolarHBondContact ND1-OD1 3.23Å; H69-D92 IonicContact ND1-OD2 3.47Å; H69-D92 PolarHBondContact ND1-OD2 3.26Å; H69-R96 PolarHBondContact ND1-NE 3.38Å; H69-W98 AromaticContact CD2-CZ2 3.78Å
70N96Very high95.7Very high112 Ų11245.5 Ų45.560%0.59924%0.237SC*.SBendtrans-94.2-7.4178.4-68.7-39.2000112.9K48 D92K48-N70 WeakPolarHBondContact CD-O 3.36Å; K48-N70 WeakPolarHBondContact CE-O 3.17Å; K48-N70 PolarHBondContact NZ-O 3.38Å; N70-D92 HydrophobicContact CB-CB 4.04Å; N70-D92 PolarHBondContact N-OD2 2.72Å
71E97.2Very high95.9Very high92 Ų9249.5 Ų49.543%0.4327%0.265SS..SBendtrans-142.6-175.2175-71.4-55.4144.600110.3K48 A91 D92K48-E71 WeakPolarHBondContact CA-O 3.34Å; K48-E71 WeakPolarHBondContact CB-O 3.02Å; K48-E71 WeakPolarHBondContact CG-O 3.34Å; K48-E71 IonicContact NZ-OE1 3.2Å; K48-E71 PolarHBondContact NZ-OE1 2.72Å; K48-E71 IonicContact NZ-OE2 3.47Å; K48-E71 PolarHBondContact NZ-OE2 2.82Å; E71-A91 HydrophobicContact CB-CB 3.82Å; E71-D92 HydrophobicContact CB-CB 4.09Å; E71-D92 HydrophobicContact CG-CB 4.44Å
72S95.8Very high96.1Very high18 Ų1848.8 Ų48.813%0.12626%0.259CS..  trans-46.6139.6178.1-177.60000112.3H30 D74 G90 A91H30-S72 PolarHBondContact CD2-OG 2.78Å; H30-S72 PolarHBondContact NE2-OG 3.5Å; S72-D74 WeakPolarHBondContact CB-OD1 3.37Å; S72-D74 PolarHBondContact OG-OD1 3.06Å; S72-G90 WeakPolarHBondContact O-CA 3.17Å; S72-A91 PolarHBondContact O-N 3.06Å
73V97.8Very high96.3Very high0 Ų047.7 Ų47.70%026%0.257CS..EExtended strand (participates in β ladder)trans-93.3107.9170-172.60000108.3H30 G44 S45 V50 H69 T88H30-V73 WeakPolarHBondContact CB-O 3.46Å; G44-V73 CarbonylContact C-O 3.57Å; S45-V73 PolarHBondContact O-N 3.06Å; S45-V73 VanDerWaalsContact O-N 3.14Å; V50-V73 HydrophobicContact CG2-CG1 4.14Å; V50-V73 HydrophobicContact CG2-CG2 4Å; H69-V73 HydrophobicContact CB-CG2 3.96Å; H69-V73 VanDerWaalsContact CD2-CG2 3.48Å; H69-V73 WeakPolarHBondContact CD2-CG2 3.12Å; V73-T88 HydrophobicContact CG1-CG2 4.21Å
74D97.4Very high96.6Very high30 Ų3046 Ų4616%0.1625%0.245CC..EExtended strand (participates in β ladder)trans-96.1-31.7-167-61.2-44.4000112.5H30 S72 V89 G90 A91H30-D74 IonicContact CD2-OD1 2.66Å; S72-D74 WeakPolarHBondContact CB-OD1 3.37Å; S72-D74 PolarHBondContact OG-OD1 3.06Å; D74-V89 PolarHBondContact N-O 3.49Å; D74-G90 WeakPolarHBondContact OD2-CA 3.34Å; D74-A91 PolarHBondContact OD2-N 3.12Å; D74-A91 VanDerWaalsContact OD2-N 3.08Å
75Q98.1Very high96.8Very high37 Ų3745 Ų4517%0.17324%0.243CC..EExtended strand (participates in β ladder)trans-145.2146.7176.5-170.166.4-6500112.8T31 T88 V89 N117 L118T31-Q75 PolarHBondContact OG1-OE1 3.44Å; Q75-T88 WeakPolarHBondContact O-CA 3.43Å; Q75-V89 HydrophobicContact CB-CG2 3.87Å; Q75-V89 PolarHBondContact N-O 2.92Å; Q75-V89 PolarHBondContact O-N 2.99Å; Q75-N117 PolarHBondContact NE2-OD1 3.33Å; Q75-L118 HydrophobicContact CB-CB 4.26Å; Q75-L118 HydrophobicContact CG-CB 3.99Å
76L98.3Very high97.1Very high9 Ų942.4 Ų42.45%0.04722%0.224CC..EExtended strand (participates in β ladder)trans-134.7153.81747481.1000111.8T31 A42 V86 A87 T88T31-L76 HydrophobicContact CG2-CB 3.97Å; T31-L76 HydrophobicContact CG2-CD2 3.7Å; T31-L76 HydrophobicContact CG2-CG 3.72Å; T31-L76 WeakPolarHBondContact OG1-CG 3.28Å; T31-L76 PolarHBondContact OG1-N 3.3Å; A42-L76 HydrophobicContact CB-CD1 4.06Å; A42-L76 HydrophobicContact CB-CD2 3.71Å; L76-V86 HydrophobicContact CB-CG2 4.32Å; L76-V86 HydrophobicContact CD1-CG2 4.23Å; L76-A87 CarbonylContact C-O 3.56Å; L76-A87 VanDerWaalsContact CA-O 3.23Å; L76-A87 WeakPolarHBondContact CA-O 3.43Å; L76-A87 WeakPolarHBondContact CB-O 3.28Å; L76-T88 HydrophobicContact CB-CG2 3.75Å
77C98.1Very high97.2Very high22 Ų2241.6 Ų41.615%0.14922%0.221CC..EExtended strand (participates in β ladder)trans-146140.5165.371.10000110.3A87 L118C77-A87 PolarHBondContact N-O 2.86Å; C77-A87 PolarHBondContact O-N 3.16Å; C77-L118 HydrophobicContact CB-CD2 3.8Å; C77-L118 VanDerWaalsContact N-CD2 3.34Å; C77-L118 WeakPolarHBondContact SG-CD2 3.42Å
78W98.7Very high97.4Very high21 Ų2132.4 Ų32.48%0.0819%0.186CC..EExtended strand (participates in β ladder)trans-74.9152.9173.2-74.288.6000110.5G33 N35 R40 A42 I52 N83 V85 V86G33-W78 PolarHBondContact O-NE1 2.96Å; N35-W78 HydrophobicContact CB-CB 4.5Å; N35-W78 HydrophobicContact CB-CD2 3.54Å; N35-W78 HydrophobicContact CB-CE3 3.57Å; N35-W78 HydrophobicContact CB-CG 3.98Å; N35-W78 HydrophobicContact CB-CH2 4.33Å; N35-W78 HydrophobicContact CB-CZ2 4.27Å; N35-W78 HydrophobicContact CB-CZ3 4Å; R40-W78 HydrophobicContact CB-CH2 3.67Å; R40-W78 HydrophobicContact CB-CZ2 3.77Å; R40-W78 HydrophobicContact CG-CH2 4.38Å; A42-W78 HydrophobicContact CB-CZ2 3.6Å; I52-W78 HydrophobicContact CD1-CH2 4.15Å; I52-W78 HydrophobicContact CD1-CZ2 4.2Å; I52-W78 HydrophobicContact CG2-CH2 4.08Å; I52-W78 HydrophobicContact CG2-CZ2 4.42Å; W78-N83 VanDerWaalsContact CZ3-O 3.22Å; W78-N83 WeakPolarHBondContact CZ3-O 3.45Å; W78-V85 VanDerWaalsContact CE3-O 3.31Å; W78-V86 HydrophobicContact CD2-CB 4.06Å; W78-V86 HydrophobicContact CD2-CG2 4.34Å; W78-V86 HydrophobicContact CE3-CB 3.99Å; W78-V86 HydrophobicContact CZ3-CB 4.26Å
79H98.5Very high97.7Very high36 Ų3631 Ų3117%0.16717%0.172CC..  trans-57.1135.3166.9-174.4-76000109.3S81 D82 V85 W120 A124H79-S81 PolarHBondContact CE1-OG 3.29Å; H79-S81 VanDerWaalsContact CE1-OG 3.26Å; H79-S81 PolarHBondContact ND1-N 3.3Å; H79-S81 PolarHBondContact ND1-OG 2.98Å; H79-S81 PolarHBondContact O-N 3.46Å; H79-S81 VanDerWaalsContact O-N 3.09Å; H79-D82 HydrophobicContact CB-CB 3.88Å; H79-D82 VanDerWaalsContact ND1-CB 3.32Å; H79-D82 WeakPolarHBondContact ND1-CB 3.48Å; H79-D82 PolarHBondContact ND1-N 2.87Å; H79-V85 HydrophobicContact CB-CB 3.84Å; H79-V85 HydrophobicContact CB-CG1 4.16Å; H79-V85 WeakPolarHBondContact CB-O 3.31Å; H79-V85 PolarHBondContact N-O 3.46Å; H79-W120 HydrophobicContact CB-CE3 4.27Å; H79-W120 HydrophobicContact CB-CH2 3.83Å; H79-W120 HydrophobicContact CB-CZ2 4.35Å; H79-W120 HydrophobicContact CB-CZ3 3.76Å; H79-W120 AromaticContact CD2-CH2 3.56Å; H79-W120 AromaticContact CD2-CZ2 3.38Å; H79-W120 WeakPolarHBondContact CD2-CZ2 3.44Å; H79-A124 VanDerWaalsContact NE2-CB 3.35Å; H79-A124 WeakPolarHBondContact NE2-CB 3.41Å
80P97.6Very high97.7Very high46 Ų4630.6 Ų30.630%0.29917%0.17SC..SBendtrans-62.4-27.5-168.823.1-35.4000113.5A124P80-A124 HydrophobicContact CG-CB 3.68Å
81S97.1Very high97.7Very high89 Ų8926 Ų2662%0.62215%0.148SC*.SBendtrans-126.7-6.1-179.258.70000115.6H79H79-S81 PolarHBondContact CE1-OG 3.29Å; H79-S81 VanDerWaalsContact CE1-OG 3.26Å; H79-S81 PolarHBondContact ND1-N 3.3Å; H79-S81 PolarHBondContact ND1-OG 2.98Å; H79-S81 PolarHBondContact O-N 3.46Å; H79-S81 VanDerWaalsContact O-N 3.09Å
82D98.1Very high97.7Very high38 Ų3822.7 Ų22.720%0.20313%0.133CC..  trans-108.2119.1-177.8-174.8-30.3000107.9H79 D84 V85 R101H79-D82 HydrophobicContact CB-CB 3.88Å; H79-D82 VanDerWaalsContact ND1-CB 3.32Å; H79-D82 WeakPolarHBondContact ND1-CB 3.48Å; H79-D82 PolarHBondContact ND1-N 2.87Å; D82-D84 PolarHBondContact O-N 2.85Å; D82-D84 PolarHBondContact OD1-N 2.82Å; D82-V85 HydrophobicContact CB-CB 4.36Å; D82-V85 HydrophobicContact CB-CG2 4.36Å; D82-R101 IonicContact OD1-CZ 3.67Å; D82-R101 VanDerWaalsContact OD1-CZ 3.32Å; D82-R101 IonicContact OD1-NH1 3.57Å; D82-R101 PolarHBondContact OD1-NH1 2.73Å; D82-R101 IonicContact OD1-NH2 2.76Å; D82-R101 PolarHBondContact OD1-NH2 2.96Å; D82-R101 IonicContact OD2-CZ 3.83Å; D82-R101 IonicContact OD2-NH1 2.79Å; D82-R101 PolarHBondContact OD2-NH1 3.03Å; D82-R101 IonicContact OD2-NH2 3.28Å; D82-R101 PolarHBondContact OD2-NH2 3.32Å
83N97.8Very high97.7Very high45 Ų4522.8 Ų22.824%0.24113%0.134CC..THydrogen-bonded Turntrans-75.7-6.9-174.2-77.6-61.7000115.1N35 C36 S37 W78N35-N83 WeakPolarHBondContact ND2-CB 3.29Å; N35-N83 PolarHBondContact ND2-O 2.84Å; N35-N83 PolarHBondContact ND2-OD1 2.9Å; C36-N83 PolarHBondContact N-OD1 2.91Å; C36-N83 PolarHBondContact SG-OD1 2.87Å; S37-N83 WeakPolarHBondContact CB-OD1 3.22Å; S37-N83 PolarHBondContact N-OD1 2.96Å; S37-N83 PolarHBondContact OG-OD1 2.76Å; W78-N83 VanDerWaalsContact CZ3-O 3.22Å; W78-N83 WeakPolarHBondContact CZ3-O 3.45Å
84D97.5Very high97.6Very high26 Ų2622.8 Ų22.814%0.13913%0.134CC..THydrogen-bonded Turntrans-120.9-0.5-176.2-56.1-69.1000112.8R40 D82 C100 R101R40-D84 IonicContact CZ-OD1 3.95Å; R40-D84 IonicContact NE-OD1 3.68Å; R40-D84 PolarHBondContact NE-OD1 2.77Å; R40-D84 IonicContact NH2-OD1 3.96Å; R40-D84 PolarHBondContact NH2-OD1 2.92Å; D82-D84 PolarHBondContact O-N 2.85Å; D82-D84 PolarHBondContact OD1-N 2.82Å; D84-C100 HydrophobicContact CB-CB 4.03Å; D84-C100 VanDerWaalsContact O-CB 3.31Å; D84-C100 WeakPolarHBondContact O-CB 3.48Å; D84-C100 PolarHBondContact O-N 2.91Å; D84-C100 PolarHBondContact O-SG 3.4Å; D84-R101 HydrophobicContact CB-CG 3.68Å; D84-R101 VanDerWaalsContact CB-CZ 3.45Å; D84-R101 IonicContact OD2-CZ 2.82Å; D84-R101 IonicContact OD2-NE 3.08Å; D84-R101 PolarHBondContact OD2-NE 2.91Å; D84-R101 IonicContact OD2-NH2 3.84Å; D84-R101 PolarHBondContact OD2-NH2 3.47Å
85V98.2Very high97.6Very high21 Ų2121.4 Ų21.413%0.12713%0.126CC..EExtended strand (participates in β ladder)trans-107127178.2179.90000110.7W78 H79 D82 W98 W120W78-V85 VanDerWaalsContact CE3-O 3.31Å; H79-V85 HydrophobicContact CB-CB 3.84Å; H79-V85 HydrophobicContact CB-CG1 4.16Å; H79-V85 WeakPolarHBondContact CB-O 3.31Å; H79-V85 PolarHBondContact N-O 3.46Å; D82-V85 HydrophobicContact CB-CB 4.36Å; D82-V85 HydrophobicContact CB-CG2 4.36Å; V85-W98 WeakPolarHBondContact CA-O 3.36Å; V85-W120 HydrophobicContact CG1-CH2 3.81Å; V85-W120 HydrophobicContact CG1-CZ3 4.28Å
86V98.4Very high97.6Very high0 Ų020.8 Ų20.80%012%0.122CC..EExtended strand (participates in β ladder)trans-127.8137.4176.559.80000110.2A42 I52 L76 W78 T88 L97 W98A42-V86 HydrophobicContact CB-CG2 4.27Å; I52-V86 HydrophobicContact CD1-CG1 4.08Å; L76-V86 HydrophobicContact CB-CG2 4.32Å; L76-V86 HydrophobicContact CD1-CG2 4.23Å; W78-V86 HydrophobicContact CD2-CB 4.06Å; W78-V86 HydrophobicContact CD2-CG2 4.34Å; W78-V86 HydrophobicContact CE3-CB 3.99Å; W78-V86 HydrophobicContact CZ3-CB 4.26Å; V86-T88 HydrophobicContact CG2-CG2 4.4Å; V86-L97 WeakPolarHBondContact O-CA 3.25Å; V86-W98 HydrophobicContact CG1-CB 3.78Å; V86-W98 HydrophobicContact CG1-CG 4.17Å; V86-W98 PolarHBondContact N-O 3.44Å; V86-W98 PolarHBondContact O-N 3.02Å
87A98.5Very high97.6Very high0 Ų021.4 Ų21.40%013%0.125CC..EExtended strand (participates in β ladder)trans-99141.8171.600000110L76 C77 R96 L97 L118 W120 I127L76-A87 CarbonylContact C-O 3.56Å; L76-A87 VanDerWaalsContact CA-O 3.23Å; L76-A87 WeakPolarHBondContact CA-O 3.43Å; L76-A87 WeakPolarHBondContact CB-O 3.28Å; C77-A87 PolarHBondContact N-O 2.86Å; C77-A87 PolarHBondContact O-N 3.16Å; A87-R96 CarbonylContact C-O 3.53Å; A87-R96 VanDerWaalsContact CA-O 3.26Å; A87-R96 WeakPolarHBondContact CA-O 3.42Å; A87-L97 HydrophobicContact CB-CD2 3.36Å; A87-L118 HydrophobicContact CB-CD1 4.19Å; A87-L118 HydrophobicContact CB-CD2 4.05Å; A87-W120 HydrophobicContact CB-CE3 3.79Å; A87-W120 HydrophobicContact CB-CH2 4.45Å; A87-W120 HydrophobicContact CB-CZ3 3.6Å; A87-I127 HydrophobicContact CB-CD1 3.8Å
88T98.6Very high97.5Very high0 Ų020.6 Ų20.60%012%0.119CC..EExtended strand (participates in β ladder)trans-138.4154.2174.563.20000111.5V50 H69 V73 Q75 L76 V86 I95 R96 W98V50-T88 HydrophobicContact CG1-CG2 3.97Å; V50-T88 HydrophobicContact CG2-CG2 3.8Å; H69-T88 PolarHBondContact NE2-OG1 2.69Å; V73-T88 HydrophobicContact CG1-CG2 4.21Å; Q75-T88 WeakPolarHBondContact O-CA 3.43Å; L76-T88 HydrophobicContact CB-CG2 3.75Å; V86-T88 HydrophobicContact CG2-CG2 4.4Å; T88-I95 WeakPolarHBondContact O-CA 3.13Å; T88-R96 PolarHBondContact N-O 3.2Å; T88-R96 PolarHBondContact O-N 3.02Å; T88-W98 PolarHBondContact OG1-NE1 2.7Å
89V98.3Very high97.5Very high0 Ų022.3 Ų22.30%013%0.13CC..EExtended strand (participates in β ladder)trans-136.9163.2170.8-75.30000110.3D74 Q75 A94 I95 N115 L118 V129D74-V89 PolarHBondContact N-O 3.49Å; Q75-V89 HydrophobicContact CB-CG2 3.87Å; Q75-V89 PolarHBondContact N-O 2.92Å; Q75-V89 PolarHBondContact O-N 2.99Å; V89-A94 WeakPolarHBondContact CA-O 3.37Å; V89-I95 HydrophobicContact CG1-CB 4.27Å; V89-I95 HydrophobicContact CG1-CG1 3.77Å; V89-N115 HydrophobicContact CB-CB 3.67Å; V89-N115 HydrophobicContact CG1-CB 4.11Å; V89-N115 HydrophobicContact CG2-CB 4.13Å; V89-L118 HydrophobicContact CB-CB 4.46Å; V89-L118 HydrophobicContact CB-CD1 4.35Å; V89-L118 HydrophobicContact CG1-CB 4.29Å; V89-L118 HydrophobicContact CG1-CD1 3.5Å; V89-L118 VanDerWaalsContact CG1-CD1 3.5Å; V89-L118 HydrophobicContact CG1-CG 4.49Å; V89-L118 HydrophobicContact CG2-CB 3.46Å; V89-L118 VanDerWaalsContact CG2-CB 3.46Å; V89-L118 HydrophobicContact CG2-CD1 4.18Å; V89-L118 HydrophobicContact CG2-CG 4.34Å; V89-V129 HydrophobicContact CG1-CG1 4.07Å; V89-V129 HydrophobicContact CG1-CG2 4.28Å
90G96Very high97.3Very high0 Ų020.7 Ų20.70%012%0.123CC..EExtended strand (participates in β ladder)trans-169.7-166.6172.900000113.9S72 D74 D92 S93 N115S72-G90 WeakPolarHBondContact O-CA 3.17Å; D74-G90 WeakPolarHBondContact OD2-CA 3.34Å; G90-D92 PolarHBondContact O-N 2.88Å; G90-D92 VanDerWaalsContact O-N 3.09Å; G90-S93 PolarHBondContact O-N 2.85Å; G90-S93 VanDerWaalsContact O-N 3.09Å; G90-N115 CarbonylContact C-O 3.43Å; G90-N115 VanDerWaalsContact CA-O 3.3Å; G90-N115 WeakPolarHBondContact CA-O 3.49Å; G90-N115 PolarHBondContact O-N 3.36Å; G90-N115 VanDerWaalsContact O-N 3.11Å
91A95.6Very high97.1Very high17 Ų1724.7 Ų24.714%0.1413%0.132CC..THydrogen-bonded Turntrans-64.4-10.3-178.800000114.5E71 S72 D74 S93 E114E71-A91 HydrophobicContact CB-CB 3.82Å; S72-A91 PolarHBondContact O-N 3.06Å; D74-A91 PolarHBondContact OD2-N 3.12Å; D74-A91 VanDerWaalsContact OD2-N 3.08Å; A91-S93 PolarHBondContact O-N 3.2Å; A91-E114 WeakPolarHBondContact O-CG 3.45Å
92D96.2Very high96.8Very high21 Ų2122.6 Ų22.611%0.11212%0.115CC..THydrogen-bonded Turntrans-805.9172.573.5-16.4000113.5H69 N70 E71 G90 A94 R96H69-D92 VanDerWaalsContact CA-OD2 3.26Å; H69-D92 WeakPolarHBondContact CA-OD2 3.43Å; H69-D92 IonicContact CE1-OD1 3.95Å; H69-D92 PolarHBondContact CE1-OD1 2.95Å; H69-D92 IonicContact CG-OD2 3.34Å; H69-D92 IonicContact ND1-OD1 3.28Å; H69-D92 PolarHBondContact ND1-OD1 3.23Å; H69-D92 IonicContact ND1-OD2 3.47Å; H69-D92 PolarHBondContact ND1-OD2 3.26Å; N70-D92 HydrophobicContact CB-CB 4.04Å; N70-D92 PolarHBondContact N-OD2 2.72Å; E71-D92 HydrophobicContact CB-CB 4.09Å; E71-D92 HydrophobicContact CG-CB 4.44Å; G90-D92 PolarHBondContact O-N 2.88Å; G90-D92 VanDerWaalsContact O-N 3.09Å; D92-A94 PolarHBondContact O-N 3.28Å; D92-A94 PolarHBondContact OD1-N 3.44Å; D92-R96 IonicContact OD2-CZ 3.21Å; D92-R96 IonicContact OD2-NE 3.13Å; D92-R96 IonicContact OD2-NH2 3.93Å; D92-R96 PolarHBondContact OD2-NH2 2.79Å
93S96.4Very high96.2Very high21 Ų2129.8 Ų29.815%0.14715%0.145CC..SBendtrans62.227175.8-500000113.6G90 A91 Q110 C111 G113 E114 N115G90-S93 PolarHBondContact O-N 2.85Å; G90-S93 VanDerWaalsContact O-N 3.09Å; A91-S93 PolarHBondContact O-N 3.2Å; S93-Q110 PolarHBondContact O-NE2 2.9Å; S93-C111 WeakPolarHBondContact O-CA 3.25Å; S93-C111 VanDerWaalsContact O-CB 3.28Å; S93-C111 WeakPolarHBondContact O-CB 3.39Å; S93-C111 PolarHBondContact O-N 2.76Å; S93-G113 VanDerWaalsContact CA-O 3.29Å; S93-G113 WeakPolarHBondContact CA-O 3.4Å; S93-G113 VanDerWaalsContact CB-C 3.49Å; S93-G113 WeakPolarHBondContact CB-O 3.47Å; S93-G113 PolarHBondContact OG-O 2.96Å; S93-G113 VanDerWaalsContact OG-O 3.13Å; S93-E114 WeakPolarHBondContact OG-CA 3.14Å; S93-E114 PolarHBondContact OG-N 2.97Å; S93-E114 VanDerWaalsContact OG-N 3.14Å; S93-N115 VanDerWaalsContact C-ND2 3.25Å; S93-N115 WeakPolarHBondContact CA-ND2 3.35Å
94A96.4Very high95.8Very high0 Ų035.5 Ų35.50%017%0.167CC..EExtended strand (participates in β ladder)trans-121.4145.2179.300000112.5V89 D92 T108 A109 N115V89-A94 WeakPolarHBondContact CA-O 3.37Å; D92-A94 PolarHBondContact O-N 3.28Å; D92-A94 PolarHBondContact OD1-N 3.44Å; A94-T108 HydrophobicContact CB-CG2 4.1Å; A94-A109 WeakPolarHBondContact CA-O 3.32Å; A94-N115 PolarHBondContact N-ND2 2.97Å
95I97.2Very high95.6Very high0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-90.9134.8161.5-55.2163.2000107.4T88 V89 T108 A109 L118 V129 F139 F145T88-I95 WeakPolarHBondContact O-CA 3.13Å; V89-I95 HydrophobicContact CG1-CB 4.27Å; V89-I95 HydrophobicContact CG1-CG1 3.77Å; I95-T108 WeakPolarHBondContact O-CA 3.44Å; I95-A109 PolarHBondContact N-O 2.84Å; I95-A109 PolarHBondContact O-N 3.27Å; I95-L118 HydrophobicContact CG2-CD1 4.38Å; I95-V129 HydrophobicContact CD1-CG2 3.55Å; I95-V129 HydrophobicContact CG1-CG2 3.78Å; I95-F139 HydrophobicContact CD1-CD1 3.94Å; I95-F139 HydrophobicContact CD1-CD2 3.67Å; I95-F139 HydrophobicContact CD1-CE1 3.96Å; I95-F139 HydrophobicContact CD1-CE2 3.7Å; I95-F139 HydrophobicContact CD1-CG 3.8Å; I95-F139 HydrophobicContact CD1-CZ 3.84Å; I95-F145 HydrophobicContact CG2-CE1 4.23Å
96R97.8Very high95.5Very high24 Ų2441.3 Ų41.39%0.09120%0.199CC..EExtended strand (participates in β ladder)trans-127.8131.2175.1-63-174.1-173.5-72.9-3.1111G68 H69 A87 T88 D92 W98 P106 I107 T108G68-R96 PolarHBondContact O-NE 2.88Å; G68-R96 PolarHBondContact O-NH2 3.37Å; H69-R96 PolarHBondContact ND1-NE 3.38Å; A87-R96 CarbonylContact C-O 3.53Å; A87-R96 VanDerWaalsContact CA-O 3.26Å; A87-R96 WeakPolarHBondContact CA-O 3.42Å; T88-R96 PolarHBondContact N-O 3.2Å; T88-R96 PolarHBondContact O-N 3.02Å; D92-R96 IonicContact OD2-CZ 3.21Å; D92-R96 IonicContact OD2-NE 3.13Å; D92-R96 IonicContact OD2-NH2 3.93Å; D92-R96 PolarHBondContact OD2-NH2 2.79Å; R96-W98 HydrophobicContact CB-CZ2 3.8Å; R96-W98 VanDerWaalsContact CD-CZ2 3.4Å; R96-W98 HydrophobicContact CG-CZ2 4.24Å; R96-P106 HydrophobicContact CB-CB 4.04Å; R96-P106 HydrophobicContact CB-CG 4.36Å; R96-P106 HydrophobicContact CG-CG 4.39Å; R96-I107 CarbonylContact C-O 3.56Å; R96-I107 WeakPolarHBondContact CA-O 3.05Å; R96-T108 HydrophobicContact CG-CG2 4.41Å; R96-T108 PolarHBondContact NH1-OG1 3.3Å
97L97.5Very high95.3Very high22 Ų2246.3 Ų46.312%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-104.8121.5168.3-59.6-170.3000109.8V86 A87 P106 I107 W120 I127 F145V86-L97 WeakPolarHBondContact O-CA 3.25Å; A87-L97 HydrophobicContact CB-CD2 3.36Å; L97-P106 CarbonylContact O-C 3.6Å; L97-P106 WeakPolarHBondContact O-CA 3.33Å; L97-P106 WeakPolarHBondContact O-CB 3.32Å; L97-I107 HydrophobicContact CB-CB 4.31Å; L97-I107 PolarHBondContact N-O 3.16Å; L97-I107 PolarHBondContact O-N 3.36Å; L97-W120 HydrophobicContact CD1-CH2 4.28Å; L97-W120 HydrophobicContact CD2-CH2 3.76Å; L97-W120 HydrophobicContact CD2-CZ3 4.04Å; L97-I127 HydrophobicContact CD2-CD1 4Å; L97-F145 HydrophobicContact CD1-CE1 4.08Å; L97-F145 HydrophobicContact CD1-CZ 3.51Å; L97-F145 HydrophobicContact CG-CE1 4.08Å; L97-F145 HydrophobicContact CG-CZ 3.79Å
98W97.7Very high95.2Very high5 Ų549.4 Ų49.42%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-107134.1-179.6-45.285.2000109.8V50 F66 H69 V85 V86 T88 R96 P106V50-W98 HydrophobicContact CG2-CZ2 3.86Å; F66-W98 HydrophobicContact CB-CD2 4.15Å; F66-W98 HydrophobicContact CB-CE3 3.53Å; F66-W98 HydrophobicContact CB-CH2 4.18Å; F66-W98 HydrophobicContact CB-CZ3 3.56Å; F66-W98 HydrophobicContact CD1-CE3 4.08Å; F66-W98 HydrophobicContact CD2-CB 4.19Å; F66-W98 HydrophobicContact CD2-CD2 4.38Å; F66-W98 HydrophobicContact CD2-CE3 4.2Å; F66-W98 HydrophobicContact CD2-CG 4.41Å; F66-W98 HydrophobicContact CE2-CB 4.17Å; F66-W98 HydrophobicContact CG-CD2 4.31Å; F66-W98 AromaticContact CG-CE3 3.71Å; F66-W98 HydrophobicContact CG-CE3 3.71Å; F66-W98 HydrophobicContact CG-CZ3 4.2Å; H69-W98 AromaticContact CD2-CZ2 3.78Å; V85-W98 WeakPolarHBondContact CA-O 3.36Å; V86-W98 HydrophobicContact CG1-CB 3.78Å; V86-W98 HydrophobicContact CG1-CG 4.17Å; V86-W98 PolarHBondContact N-O 3.44Å; V86-W98 PolarHBondContact O-N 3.02Å; T88-W98 PolarHBondContact OG1-NE1 2.7Å; R96-W98 HydrophobicContact CB-CZ2 3.8Å; R96-W98 VanDerWaalsContact CD-CZ2 3.4Å; R96-W98 HydrophobicContact CG-CZ2 4.24Å; W98-P106 HydrophobicContact CD2-CB 3.81Å; W98-P106 HydrophobicContact CD2-CG 4.3Å; W98-P106 HydrophobicContact CE3-CB 3.6Å; W98-P106 HydrophobicContact CE3-CG 3.76Å; W98-P106 HydrophobicContact CG-CB 4.43Å; W98-P106 HydrophobicContact CH2-CB 4.28Å; W98-P106 HydrophobicContact CH2-CG 3.7Å; W98-P106 HydrophobicContact CZ2-CB 4.44Å; W98-P106 HydrophobicContact CZ2-CG 4.23Å; W98-P106 HydrophobicContact CZ3-CB 3.83Å; W98-P106 HydrophobicContact CZ3-CG 3.42Å; W98-P106 VanDerWaalsContact CZ3-CG 3.42Å
99D97.1Very high95Very high58 Ų5850 Ų5031%0.3125%0.249SC..EExtended strand (participates in β ladder)trans-105.9108.5171.9-175.3-14.2000109.8R101 T102D99-R101 PolarHBondContact O-N 2.85Å; D99-R101 VanDerWaalsContact O-N 3.13Å; D99-R101 WeakPolarHBondContact OD1-CB 3.42Å; D99-R101 VanDerWaalsContact OD1-CG 3.25Å; D99-R101 WeakPolarHBondContact OD1-CG 3.32Å; D99-R101 PolarHBondContact OD1-N 3.34Å; D99-R101 IonicContact OD1-NH1 3.87Å; D99-T102 PolarHBondContact O-N 2.86Å; D99-T102 VanDerWaalsContact O-N 3.1Å
100C95.4Very high94.8Very high2 Ų256.2 Ų56.21%0.01428%0.278CS..THydrogen-bonded Turntrans-66-9.5-179.5-55.70000113.8H64 D84 T102H64-C100 PolarHBondContact NE2-O 2.95Å; H64-C100 VanDerWaalsContact NE2-O 3.08Å; D84-C100 HydrophobicContact CB-CB 4.03Å; D84-C100 VanDerWaalsContact O-CB 3.31Å; D84-C100 WeakPolarHBondContact O-CB 3.48Å; D84-C100 PolarHBondContact O-N 2.91Å; D84-C100 PolarHBondContact O-SG 3.4Å; C100-T102 VanDerWaalsContact C-N 3.31Å
101R94Very high94.7Very high129 Ų12956.9 Ų56.949%0.48728%0.282SS..THydrogen-bonded Turntrans-77.9-22.3174.2-57.9167.6-179.11142.8111.7D82 D84 D99D82-R101 IonicContact OD1-CZ 3.67Å; D82-R101 VanDerWaalsContact OD1-CZ 3.32Å; D82-R101 IonicContact OD1-NH1 3.57Å; D82-R101 PolarHBondContact OD1-NH1 2.73Å; D82-R101 IonicContact OD1-NH2 2.76Å; D82-R101 PolarHBondContact OD1-NH2 2.96Å; D82-R101 IonicContact OD2-CZ 3.83Å; D82-R101 IonicContact OD2-NH1 2.79Å; D82-R101 PolarHBondContact OD2-NH1 3.03Å; D82-R101 IonicContact OD2-NH2 3.28Å; D82-R101 PolarHBondContact OD2-NH2 3.32Å; D84-R101 HydrophobicContact CB-CG 3.68Å; D84-R101 VanDerWaalsContact CB-CZ 3.45Å; D84-R101 IonicContact OD2-CZ 2.82Å; D84-R101 IonicContact OD2-NE 3.08Å; D84-R101 PolarHBondContact OD2-NE 2.91Å; D84-R101 IonicContact OD2-NH2 3.84Å; D84-R101 PolarHBondContact OD2-NH2 3.47Å; D99-R101 PolarHBondContact O-N 2.85Å; D99-R101 VanDerWaalsContact O-N 3.13Å; D99-R101 WeakPolarHBondContact OD1-CB 3.42Å; D99-R101 VanDerWaalsContact OD1-CG 3.25Å; D99-R101 WeakPolarHBondContact OD1-CG 3.32Å; D99-R101 PolarHBondContact OD1-N 3.34Å; D99-R101 IonicContact OD1-NH1 3.87Å
102T90.2Very high94.3Very high45 Ų4564.9 Ų64.928%0.27631%0.314SS..  trans-130.2166.9-171.681.80000111.6D99 C100 K104D99-T102 PolarHBondContact O-N 2.86Å; D99-T102 VanDerWaalsContact O-N 3.1Å; C100-T102 VanDerWaalsContact C-N 3.31Å; T102-K104 PolarHBondContact OG1-N 2.96Å
103K84.2Confident94Very high190 Ų19064.8 Ų64.883%0.82632%0.318SS*.  trans-10421.2170.2-63.4-174.3178.5-178.70111.9
104K90.9Very high93.9Very high164 Ų16467.9 Ų67.971%0.71333%0.33SS*.PPolyproline II helixtrans-69.7156177.5-68.3-178176.4179.50109.9T102T102-K104 PolarHBondContact OG1-N 2.96Å
105D92.4Very high93.7Very high152 Ų15268.1 Ų68.181%0.81333%0.331SS*.PPolyproline II helixtrans-59.7146.6171.7-63.4-47.9000110.9
106P95.6Very high93.5Very high18 Ų1871.1 Ų71.112%0.11735%0.347CS..PPolyproline II helixtrans-67.7149.4179.829.8-37000111.5R96 L97 W98 T108R96-P106 HydrophobicContact CB-CB 4.04Å; R96-P106 HydrophobicContact CB-CG 4.36Å; R96-P106 HydrophobicContact CG-CG 4.39Å; L97-P106 CarbonylContact O-C 3.6Å; L97-P106 WeakPolarHBondContact O-CA 3.33Å; L97-P106 WeakPolarHBondContact O-CB 3.32Å; W98-P106 HydrophobicContact CD2-CB 3.81Å; W98-P106 HydrophobicContact CD2-CG 4.3Å; W98-P106 HydrophobicContact CE3-CB 3.6Å; W98-P106 HydrophobicContact CE3-CG 3.76Å; W98-P106 HydrophobicContact CG-CB 4.43Å; W98-P106 HydrophobicContact CH2-CB 4.28Å; W98-P106 HydrophobicContact CH2-CG 3.7Å; W98-P106 HydrophobicContact CZ2-CB 4.44Å; W98-P106 HydrophobicContact CZ2-CG 4.23Å; W98-P106 HydrophobicContact CZ3-CB 3.83Å; W98-P106 HydrophobicContact CZ3-CG 3.42Å; W98-P106 VanDerWaalsContact CZ3-CG 3.42Å; P106-T108 PolarHBondContact O-N 2.92Å; P106-T108 PolarHBondContact O-OG1 2.75Å
107I95.2Very high93.4Very high105 Ų10570.2 Ų70.254%0.53834%0.344SS..EExtended strand (participates in β ladder)trans-67.3128.4164.4-55.5172.9000107.2R96 L97 F145R96-I107 CarbonylContact C-O 3.56Å; R96-I107 WeakPolarHBondContact CA-O 3.05Å; L97-I107 HydrophobicContact CB-CB 4.31Å; L97-I107 PolarHBondContact N-O 3.16Å; L97-I107 PolarHBondContact O-N 3.36Å; I107-F145 HydrophobicContact CB-CZ 4.47Å; I107-F145 HydrophobicContact CG2-CD2 4.41Å; I107-F145 HydrophobicContact CG2-CE2 3.45Å; I107-F145 VanDerWaalsContact CG2-CE2 3.45Å; I107-F145 HydrophobicContact CG2-CZ 3.77Å
108T95.7Very high93.4Very high64 Ų6469.5 Ų69.539%0.39334%0.34SS..EExtended strand (participates in β ladder)trans-124.1136.9-171.6-55.50000110.8A94 I95 R96 P106A94-T108 HydrophobicContact CB-CG2 4.1Å; I95-T108 WeakPolarHBondContact O-CA 3.44Å; R96-T108 HydrophobicContact CG-CG2 4.41Å; R96-T108 PolarHBondContact NH1-OG1 3.3Å; P106-T108 PolarHBondContact O-N 2.92Å; P106-T108 PolarHBondContact O-OG1 2.75Å
109A95.2Very high93.5Very high14 Ų1469.8 Ų69.812%0.11634%0.343CS..EExtended strand (participates in β ladder)trans-131.2137.5170.500000110.4A94 I95 F145A94-A109 WeakPolarHBondContact CA-O 3.32Å; I95-A109 PolarHBondContact N-O 2.84Å; I95-A109 PolarHBondContact O-N 3.27Å; A109-F145 HydrophobicContact CB-CB 3.41Å; A109-F145 VanDerWaalsContact CB-CB 3.41Å; A109-F145 HydrophobicContact CB-CD1 3.57Å; A109-F145 HydrophobicContact CB-CD2 4.29Å; A109-F145 HydrophobicContact CB-CE1 4.35Å; A109-F145 HydrophobicContact CB-CG 3.52Å
110Q94.2Very high93.5Very high129 Ų12968.2 Ų68.260%0.60333%0.333SS*.EExtended strand (participates in β ladder)trans-86.2135.9-178.3-166.663.531.300111.1S93S93-Q110 PolarHBondContact O-NE2 2.9Å
111C93.3Very high93.7Very high15 Ų1568.2 Ų68.210%0.10133%0.333CS..  trans-99.2168.3172.6-61.40000111.5S93 G113 N115S93-C111 WeakPolarHBondContact O-CA 3.25Å; S93-C111 VanDerWaalsContact O-CB 3.28Å; S93-C111 WeakPolarHBondContact O-CB 3.39Å; S93-C111 PolarHBondContact O-N 2.76Å; C111-G113 VanDerWaalsContact C-N 3.26Å; C111-G113 PolarHBondContact O-N 3.16Å; C111-N115 WeakPolarHBondContact CB-ND2 3.34Å; C111-N115 WeakPolarHBondContact CB-OD1 3.34Å; C111-N115 PolarHBondContact SG-ND2 3.33Å
112K88.7Confident93.9Very high184 Ų18464.4 Ų64.480%0.833%0.325SS*.SBendtrans-77.6-3.6178.7-69.9-176.6176.4178.40114.5L135K112-L135 HydrophobicContact CB-CD2 4.13Å; K112-L135 HydrophobicContact CD-CD2 4.13Å
113G89.6Confident94.2Very high19 Ų1966.6 Ų66.620%0.19634%0.335CS..SBendtrans-176.7-179-179.900000112.8S93 C111 N115S93-G113 VanDerWaalsContact CA-O 3.29Å; S93-G113 WeakPolarHBondContact CA-O 3.4Å; S93-G113 VanDerWaalsContact CB-C 3.49Å; S93-G113 WeakPolarHBondContact CB-O 3.47Å; S93-G113 PolarHBondContact OG-O 2.96Å; S93-G113 VanDerWaalsContact OG-O 3.13Å; C111-G113 VanDerWaalsContact C-N 3.26Å; C111-G113 PolarHBondContact O-N 3.16Å; G113-N115 PolarHBondContact O-N 2.96Å; G113-N115 PolarHBondContact O-OD1 2.9Å; G113-N115 VanDerWaalsContact O-OD1 3.09Å
114E93.7Very high94.8Very high87 Ų8758.5 Ų58.541%0.40730%0.304SS..  trans-63.2125.5-178.9-59-172.7-157.400110A91 S93 S131 K132A91-E114 WeakPolarHBondContact O-CG 3.45Å; S93-E114 WeakPolarHBondContact OG-CA 3.14Å; S93-E114 PolarHBondContact OG-N 2.97Å; S93-E114 VanDerWaalsContact OG-N 3.14Å; E114-S131 CarbonylContact O-C 3.43Å; E114-S131 WeakPolarHBondContact O-CA 3.33Å; E114-S131 WeakPolarHBondContact O-CB 3.49Å; E114-K132 HydrophobicContact CB-CB 4.46Å; E114-K132 HydrophobicContact CB-CD 3.87Å; E114-K132 HydrophobicContact CB-CG 4Å; E114-K132 PolarHBondContact O-N 2.99Å; E114-K132 VanDerWaalsContact OE2-CD 3.29Å; E114-K132 WeakPolarHBondContact OE2-CD 3.39Å; E114-K132 VanDerWaalsContact OE2-CE 3.23Å; E114-K132 WeakPolarHBondContact OE2-CE 3.28Å; E114-K132 IonicContact OE2-NZ 2.66Å; E114-K132 PolarHBondContact OE2-NZ 3.2Å
115N92.4Very high95.1Very high4 Ų454.7 Ų54.72%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-101.5132.8-171.6-57-52.6000109.9V89 G90 S93 A94 C111 G113 V129 G130V89-N115 HydrophobicContact CB-CB 3.67Å; V89-N115 HydrophobicContact CG1-CB 4.11Å; V89-N115 HydrophobicContact CG2-CB 4.13Å; G90-N115 CarbonylContact C-O 3.43Å; G90-N115 VanDerWaalsContact CA-O 3.3Å; G90-N115 WeakPolarHBondContact CA-O 3.49Å; G90-N115 PolarHBondContact O-N 3.36Å; G90-N115 VanDerWaalsContact O-N 3.11Å; S93-N115 VanDerWaalsContact C-ND2 3.25Å; S93-N115 WeakPolarHBondContact CA-ND2 3.35Å; A94-N115 PolarHBondContact N-ND2 2.97Å; C111-N115 WeakPolarHBondContact CB-ND2 3.34Å; C111-N115 WeakPolarHBondContact CB-OD1 3.34Å; C111-N115 PolarHBondContact SG-ND2 3.33Å; G113-N115 PolarHBondContact O-N 2.96Å; G113-N115 PolarHBondContact O-OD1 2.9Å; G113-N115 VanDerWaalsContact O-OD1 3.09Å; N115-V129 HydrophobicContact CB-CG1 3.77Å; N115-V129 VanDerWaalsContact CG-CG1 3.46Å; N115-V129 WeakPolarHBondContact OD1-CG1 3.03Å; N115-G130 WeakPolarHBondContact CA-O 3.39Å
116I93.1Very high95.4Very high64 Ų6448 Ų4833%0.32825%0.248SC..EExtended strand (participates in β ladder)trans-117.9-1518055.2170.9000113G130 K132I116-G130 PolarHBondContact N-O 3.39Å; I116-K132 HydrophobicContact CG2-CD 4.22Å; I116-K132 HydrophobicContact CG2-CG 3.42Å; I116-K132 VanDerWaalsContact CG2-CG 3.42Å
117N95.8Very high95.6Very high4 Ų447.2 Ų47.22%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-142.5150.8-176.9-156-11.6000112.5Q75 V129 G130 N158 E159 F160Q75-N117 PolarHBondContact NE2-OD1 3.33Å; N117-V129 WeakPolarHBondContact O-CA 3.41Å; N117-G130 PolarHBondContact N-O 3.2Å; N117-G130 PolarHBondContact O-N 2.77Å; N117-N158 PolarHBondContact ND2-O 2.83Å; N117-E159 VanDerWaalsContact ND2-CA 3.34Å; N117-E159 WeakPolarHBondContact ND2-CA 3.39Å; N117-E159 PolarHBondContact ND2-OE1 3.45Å; N117-E159 PolarHBondContact OD1-OE1 3.29Å; N117-F160 HydrophobicContact CB-CE1 3.66Å; N117-F160 HydrophobicContact CB-CZ 3.76Å
118L97.8Very high95.7Very high7 Ų742.2 Ų42.24%0.03722%0.217CC..EExtended strand (participates in β ladder)trans-156.7128.4-172.2168.5123.2000110.7Q75 C77 A87 V89 I95 I127 A128 V129Q75-L118 HydrophobicContact CB-CB 4.26Å; Q75-L118 HydrophobicContact CG-CB 3.99Å; C77-L118 HydrophobicContact CB-CD2 3.8Å; C77-L118 VanDerWaalsContact N-CD2 3.34Å; C77-L118 WeakPolarHBondContact SG-CD2 3.42Å; A87-L118 HydrophobicContact CB-CD1 4.19Å; A87-L118 HydrophobicContact CB-CD2 4.05Å; V89-L118 HydrophobicContact CB-CB 4.46Å; V89-L118 HydrophobicContact CB-CD1 4.35Å; V89-L118 HydrophobicContact CG1-CB 4.29Å; V89-L118 HydrophobicContact CG1-CD1 3.5Å; V89-L118 VanDerWaalsContact CG1-CD1 3.5Å; V89-L118 HydrophobicContact CG1-CG 4.49Å; V89-L118 HydrophobicContact CG2-CB 3.46Å; V89-L118 VanDerWaalsContact CG2-CB 3.46Å; V89-L118 HydrophobicContact CG2-CD1 4.18Å; V89-L118 HydrophobicContact CG2-CG 4.34Å; I95-L118 HydrophobicContact CG2-CD1 4.38Å; L118-I127 HydrophobicContact CD1-CG2 3.56Å; L118-I127 HydrophobicContact CG-CG2 4.1Å; L118-A128 VanDerWaalsContact CA-O 3.29Å; L118-A128 WeakPolarHBondContact CA-O 3.14Å; L118-V129 HydrophobicContact CD1-CG2 4.4Å
119A98.4Very high95.9Very high11 Ų1139.2 Ų39.29%0.09120%0.199CC..EExtended strand (participates in β ladder)trans-129.2144.2171.700000109.5I127 A128 F160 W162A119-I127 CarbonylContact O-C 3.58Å; A119-I127 VanDerWaalsContact O-CA 3.3Å; A119-I127 WeakPolarHBondContact O-CA 3.47Å; A119-A128 PolarHBondContact N-O 2.99Å; A119-A128 PolarHBondContact O-N 2.66Å; A119-F160 HydrophobicContact CB-CD2 3.73Å; A119-F160 HydrophobicContact CB-CE2 3.73Å; A119-W162 HydrophobicContact CB-CE3 3.89Å; A119-W162 HydrophobicContact CB-CZ3 3.68Å; A119-W162 WeakPolarHBondContact O-CZ3 3.4Å
120W98.4Very high96Very high25 Ų2538.8 Ų38.810%0.09520%0.196CC..EExtended strand (participates in β ladder)trans-99.6132.5169.8-144.1-45.9000109.1H79 V85 A87 L97 A124 I127 L141H79-W120 HydrophobicContact CB-CE3 4.27Å; H79-W120 HydrophobicContact CB-CH2 3.83Å; H79-W120 HydrophobicContact CB-CZ2 4.35Å; H79-W120 HydrophobicContact CB-CZ3 3.76Å; H79-W120 AromaticContact CD2-CH2 3.56Å; H79-W120 AromaticContact CD2-CZ2 3.38Å; H79-W120 WeakPolarHBondContact CD2-CZ2 3.44Å; V85-W120 HydrophobicContact CG1-CH2 3.81Å; V85-W120 HydrophobicContact CG1-CZ3 4.28Å; A87-W120 HydrophobicContact CB-CE3 3.79Å; A87-W120 HydrophobicContact CB-CH2 4.45Å; A87-W120 HydrophobicContact CB-CZ3 3.6Å; L97-W120 HydrophobicContact CD1-CH2 4.28Å; L97-W120 HydrophobicContact CD2-CH2 3.76Å; L97-W120 HydrophobicContact CD2-CZ3 4.04Å; W120-A124 PolarHBondContact NE1-O 2.88Å; W120-A124 VanDerWaalsContact NE1-O 3.16Å; W120-I127 HydrophobicContact CD2-CD1 4.04Å; W120-I127 HydrophobicContact CD2-CG1 4.04Å; W120-I127 HydrophobicContact CE3-CD1 4.26Å; W120-I127 HydrophobicContact CG-CD1 4.48Å; W120-I127 HydrophobicContact CG-CG1 3.97Å; W120-I127 HydrophobicContact CZ2-CD1 4.38Å; W120-L141 HydrophobicContact CZ2-CD1 3.43Å; W120-L141 VanDerWaalsContact CZ2-CD1 3.43Å
121S98.4Very high96.2Very high3 Ų333 Ų332%0.02117%0.169CC..  trans-62.1145.5169.354.30000111.6D123 A124 R125 Y126S121-D123 PolarHBondContact O-N 3Å; S121-D123 PolarHBondContact OG-OD1 3.24Å; S121-A124 WeakPolarHBondContact O-CA 3.46Å; S121-A124 PolarHBondContact O-N 2.62Å; S121-R125 PolarHBondContact OG-N 2.96Å; S121-Y126 WeakPolarHBondContact CB-O 3.21Å; S121-Y126 PolarHBondContact N-O 3.47Å; S121-Y126 VanDerWaalsContact OG-CA 3.31Å; S121-Y126 WeakPolarHBondContact OG-CA 3.43Å; S121-Y126 WeakPolarHBondContact OG-CB 3.21Å; S121-Y126 PolarHBondContact OG-N 3.32Å; S121-Y126 PolarHBondContact OG-O 3.31Å
122P98Very high96.3Very high48 Ų4837.6 Ų37.631%0.31219%0.188SC..THydrogen-bonded Turntrans-61.8-27.9-176.8-24.834.1000114.6A124 W162 N163 P164P122-A124 PolarHBondContact O-N 2.99Å; P122-W162 HydrophobicContact CG-CB 4.01Å; P122-N163 VanDerWaalsContact CG-O 3.28Å; P122-N163 WeakPolarHBondContact CG-O 3.18Å; P122-P164 WeakPolarHBondContact CB-O 3.42Å
123D97Very high96.6Very high91 Ų9133 Ų3349%0.48718%0.175SC..THydrogen-bonded Turntrans-80.34.717775.6-11.1000113.5S121 R125S121-D123 PolarHBondContact O-N 3Å; S121-D123 PolarHBondContact OG-OD1 3.24Å; D123-R125 PolarHBondContact O-N 2.79Å; D123-R125 VanDerWaalsContact O-N 3.15Å; D123-R125 VanDerWaalsContact OD1-CB 3.25Å; D123-R125 WeakPolarHBondContact OD1-CB 3.37Å; D123-R125 PolarHBondContact OD1-N 3.07Å
124A97.7Very high97Very high20 Ų2033.7 Ų33.717%0.16518%0.175CC..SBendtrans60.710.7-176.600000115.5H79 P80 W120 S121 P122H79-A124 VanDerWaalsContact NE2-CB 3.35Å; H79-A124 WeakPolarHBondContact NE2-CB 3.41Å; P80-A124 HydrophobicContact CG-CB 3.68Å; W120-A124 PolarHBondContact NE1-O 2.88Å; W120-A124 VanDerWaalsContact NE1-O 3.16Å; S121-A124 WeakPolarHBondContact O-CA 3.46Å; S121-A124 PolarHBondContact O-N 2.62Å; P122-A124 PolarHBondContact O-N 2.99Å
125R97.5Very high97.2Very high84 Ų8430.9 Ų30.932%0.31716%0.162SC..SBendtrans-87.2-34.9-172.8-178.4172.5174-172.4-5.8113.2S121 D123 D140 L141S121-R125 PolarHBondContact OG-N 2.96Å; D123-R125 PolarHBondContact O-N 2.79Å; D123-R125 VanDerWaalsContact O-N 3.15Å; D123-R125 VanDerWaalsContact OD1-CB 3.25Å; D123-R125 WeakPolarHBondContact OD1-CB 3.37Å; D123-R125 PolarHBondContact OD1-N 3.07Å; R125-D140 IonicContact CZ-OD2 3.5Å; R125-D140 IonicContact NE-OD1 3.66Å; R125-D140 IonicContact NE-OD2 2.98Å; R125-D140 PolarHBondContact NE-OD2 2.85Å; R125-D140 IonicContact NH2-OD2 2.85Å; R125-D140 PolarHBondContact NH2-OD2 3.01Å; R125-L141 WeakPolarHBondContact O-CB 3.35Å; R125-L141 WeakPolarHBondContact O-CG 3.29Å; R125-L141 PolarHBondContact O-N 2.99Å
126Y98.3Very high97.5Very high13 Ų1330.7 Ų30.75%0.05116%0.161CC..EExtended strand (participates in β ladder)trans-121.6149.6-172.2-51.4-82.1000113S121 F139 D140 V148 P185S121-Y126 WeakPolarHBondContact CB-O 3.21Å; S121-Y126 PolarHBondContact N-O 3.47Å; S121-Y126 VanDerWaalsContact OG-CA 3.31Å; S121-Y126 WeakPolarHBondContact OG-CA 3.43Å; S121-Y126 WeakPolarHBondContact OG-CB 3.21Å; S121-Y126 PolarHBondContact OG-N 3.32Å; S121-Y126 PolarHBondContact OG-O 3.31Å; Y126-F139 WeakPolarHBondContact CA-O 3.06Å; Y126-D140 HydrophobicContact CD1-CB 4Å; Y126-D140 HydrophobicContact CE1-CB 3.9Å; Y126-V148 HydrophobicContact CD1-CG2 4.22Å; Y126-V148 HydrophobicContact CE1-CG2 4.14Å; Y126-P185 HydrophobicContact CD1-CB 3.73Å; Y126-P185 HydrophobicContact CD1-CG 3.94Å; Y126-P185 HydrophobicContact CD2-CB 4.46Å; Y126-P185 HydrophobicContact CD2-CG 3.84Å; Y126-P185 HydrophobicContact CE1-CB 3.89Å; Y126-P185 HydrophobicContact CE1-CG 4.3Å; Y126-P185 HydrophobicContact CE2-CG 4.21Å; Y126-P185 HydrophobicContact CG-CB 4.02Å; Y126-P185 HydrophobicContact CG-CG 3.67Å
127I98.5Very high97.7Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-122130.3166-71.3-179.5000108.5A87 L97 L118 A119 W120 V129 W138 F139 L141A87-I127 HydrophobicContact CB-CD1 3.8Å; L97-I127 HydrophobicContact CD2-CD1 4Å; L118-I127 HydrophobicContact CD1-CG2 3.56Å; L118-I127 HydrophobicContact CG-CG2 4.1Å; A119-I127 CarbonylContact O-C 3.58Å; A119-I127 VanDerWaalsContact O-CA 3.3Å; A119-I127 WeakPolarHBondContact O-CA 3.47Å; W120-I127 HydrophobicContact CD2-CD1 4.04Å; W120-I127 HydrophobicContact CD2-CG1 4.04Å; W120-I127 HydrophobicContact CE3-CD1 4.26Å; W120-I127 HydrophobicContact CG-CD1 4.48Å; W120-I127 HydrophobicContact CG-CG1 3.97Å; W120-I127 HydrophobicContact CZ2-CD1 4.38Å; I127-V129 HydrophobicContact CG2-CG2 3.75Å; I127-W138 WeakPolarHBondContact O-CA 3.48Å; I127-F139 PolarHBondContact N-O 3.22Å; I127-F139 PolarHBondContact O-N 2.93Å; I127-L141 HydrophobicContact CB-CD2 4.49Å; I127-L141 HydrophobicContact CD1-CD1 3.99Å; I127-L141 HydrophobicContact CD1-CD2 3.93Å; I127-L141 HydrophobicContact CD1-CG 4.47Å; I127-L141 HydrophobicContact CG1-CD1 4Å; I127-L141 HydrophobicContact CG1-CD2 4.13Å; I127-L141 HydrophobicContact CG1-CG 4.33Å
128A98.6Very high97.8Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-91.4137.3167.500000108.4L118 A119 S137 W138 F160 W162 F169L118-A128 VanDerWaalsContact CA-O 3.29Å; L118-A128 WeakPolarHBondContact CA-O 3.14Å; A119-A128 PolarHBondContact N-O 2.99Å; A119-A128 PolarHBondContact O-N 2.66Å; A128-S137 CarbonylContact C-O 3.52Å; A128-S137 WeakPolarHBondContact CA-O 3.33Å; A128-W138 HydrophobicContact CB-CG 4.42Å; A128-F160 HydrophobicContact CB-CD2 4Å; A128-F160 HydrophobicContact CB-CE2 3.54Å; A128-F160 HydrophobicContact CB-CZ 4.26Å; A128-W162 HydrophobicContact CB-CH2 3.43Å; A128-W162 VanDerWaalsContact CB-CH2 3.43Å; A128-W162 HydrophobicContact CB-CZ2 4.35Å; A128-W162 HydrophobicContact CB-CZ3 3.73Å; A128-F169 HydrophobicContact CB-CE2 3.94Å; A128-F169 HydrophobicContact CB-CZ 3.69Å
129V98.6Very high97.8Very high2 Ų228 Ų281%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-131.3129.4177.5-1770000109.4V89 I95 N115 N117 L118 I127 V136 S137 F139V89-V129 HydrophobicContact CG1-CG1 4.07Å; V89-V129 HydrophobicContact CG1-CG2 4.28Å; I95-V129 HydrophobicContact CD1-CG2 3.55Å; I95-V129 HydrophobicContact CG1-CG2 3.78Å; N115-V129 HydrophobicContact CB-CG1 3.77Å; N115-V129 VanDerWaalsContact CG-CG1 3.46Å; N115-V129 WeakPolarHBondContact OD1-CG1 3.03Å; N117-V129 WeakPolarHBondContact O-CA 3.41Å; L118-V129 HydrophobicContact CD1-CG2 4.4Å; I127-V129 HydrophobicContact CG2-CG2 3.75Å; V129-V136 CarbonylContact O-C 3.49Å; V129-V136 WeakPolarHBondContact O-CA 3.12Å; V129-S137 PolarHBondContact N-O 3.48Å; V129-S137 PolarHBondContact O-N 3.13Å; V129-F139 HydrophobicContact CB-CE2 4.08Å; V129-F139 HydrophobicContact CG2-CD2 4.01Å; V129-F139 HydrophobicContact CG2-CE2 3.93Å
130G98.2Very high97.8Very high5 Ų527.9 Ų27.95%0.05215%0.146CC..EExtended strand (participates in β ladder)trans-106.3131.2175.100000110.9N115 I116 N117N115-G130 WeakPolarHBondContact CA-O 3.39Å; I116-G130 PolarHBondContact N-O 3.39Å; N117-G130 PolarHBondContact N-O 3.2Å; N117-G130 PolarHBondContact O-N 2.77Å
131S97.5Very high97.7Very high6 Ų628.1 Ų28.14%0.04215%0.149CC..EExtended strand (participates in β ladder)trans-91.3165.2175.276.90000113E114 T133 D134 L135E114-S131 CarbonylContact O-C 3.43Å; E114-S131 WeakPolarHBondContact O-CA 3.33Å; E114-S131 WeakPolarHBondContact O-CB 3.49Å; S131-T133 PolarHBondContact O-N 3.31Å; S131-T133 VanDerWaalsContact O-N 3.09Å; S131-T133 PolarHBondContact OG-N 2.88Å; S131-T133 PolarHBondContact OG-OG1 2.88Å; S131-D134 PolarHBondContact O-N 2.94Å; S131-D134 VanDerWaalsContact O-N 3.13Å; S131-L135 PolarHBondContact N-O 3.32Å; S131-L135 WeakPolarHBondContact OG-CB 3Å; S131-L135 PolarHBondContact OG-N 3.22Å; S131-L135 VanDerWaalsContact OG-N 3.16Å
132K95.8Very high97.5Very high112 Ų11237.7 Ų37.749%0.48718%0.184SC..THydrogen-bonded Turntrans-60.5-12.1168.7-70.2-169.1-178.5170.90114.6E114 I116E114-K132 HydrophobicContact CB-CB 4.46Å; E114-K132 HydrophobicContact CB-CD 3.87Å; E114-K132 HydrophobicContact CB-CG 4Å; E114-K132 PolarHBondContact O-N 2.99Å; E114-K132 VanDerWaalsContact OE2-CD 3.29Å; E114-K132 WeakPolarHBondContact OE2-CD 3.39Å; E114-K132 VanDerWaalsContact OE2-CE 3.23Å; E114-K132 WeakPolarHBondContact OE2-CE 3.28Å; E114-K132 IonicContact OE2-NZ 2.66Å; E114-K132 PolarHBondContact OE2-NZ 3.2Å; I116-K132 HydrophobicContact CG2-CD 4.22Å; I116-K132 HydrophobicContact CG2-CG 3.42Å; I116-K132 VanDerWaalsContact CG2-CG 3.42Å
133T96.2Very high97.3Very high88 Ų8837.3 Ų37.354%0.5419%0.185SC..THydrogen-bonded Turntrans-108.321.4179.966.70000111.2S131 L135 Q152S131-T133 PolarHBondContact O-N 3.31Å; S131-T133 VanDerWaalsContact O-N 3.09Å; S131-T133 PolarHBondContact OG-N 2.88Å; S131-T133 PolarHBondContact OG-OG1 2.88Å; T133-L135 PolarHBondContact O-N 3.25Å; T133-L135 VanDerWaalsContact O-N 3.14Å; T133-Q152 PolarHBondContact O-NE2 2.84Å
134D96.8Very high97Very high34 Ų3435.8 Ų35.818%0.18219%0.191CC..SBendtrans58.329.6176.8-53.1-55000114.6S131 Q152 F153 E156 I157S131-D134 PolarHBondContact O-N 2.94Å; S131-D134 VanDerWaalsContact O-N 3.13Å; D134-Q152 PolarHBondContact O-NE2 3.49Å; D134-F153 HydrophobicContact CB-CB 4.18Å; D134-F153 PolarHBondContact O-N 2.86Å; D134-E156 VanDerWaalsContact OD1-CA 3.28Å; D134-E156 WeakPolarHBondContact OD1-CA 3.47Å; D134-I157 PolarHBondContact OD1-N 3.01Å
135L98.1Very high96.9Very high28 Ų2836.3 Ų36.315%0.14719%0.19CC..EExtended strand (participates in β ladder)trans-90116.2167.2178.668.1000108.3K112 S131 T133 A150 Q152K112-L135 HydrophobicContact CB-CD2 4.13Å; K112-L135 HydrophobicContact CD-CD2 4.13Å; S131-L135 PolarHBondContact N-O 3.32Å; S131-L135 WeakPolarHBondContact OG-CB 3Å; S131-L135 PolarHBondContact OG-N 3.22Å; S131-L135 VanDerWaalsContact OG-N 3.16Å; T133-L135 PolarHBondContact O-N 3.25Å; T133-L135 VanDerWaalsContact O-N 3.14Å; L135-A150 HydrophobicContact CD1-CB 4.19Å; L135-Q152 HydrophobicContact CD1-CB 4.36Å
136V98.4Very high96.8Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-98.1124.5169.6-173.70000108.6V129 W138 A150 E151 F153 I157 F160 L171V129-V136 CarbonylContact O-C 3.49Å; V129-V136 WeakPolarHBondContact O-CA 3.12Å; V136-W138 HydrophobicContact CB-CH2 3.91Å; V136-W138 HydrophobicContact CB-CZ2 4.41Å; V136-W138 HydrophobicContact CB-CZ3 4.13Å; V136-W138 HydrophobicContact CG1-CD2 4.32Å; V136-W138 HydrophobicContact CG1-CE3 4.29Å; V136-W138 HydrophobicContact CG1-CH2 3.56Å; V136-W138 HydrophobicContact CG1-CZ2 3.57Å; V136-W138 HydrophobicContact CG1-CZ3 3.92Å; V136-W138 WeakPolarHBondContact O-CZ3 3.16Å; V136-A150 CarbonylContact O-C 3.55Å; V136-A150 VanDerWaalsContact O-CA 3.24Å; V136-A150 WeakPolarHBondContact O-CA 3.49Å; V136-E151 PolarHBondContact N-O 3.3Å; V136-E151 PolarHBondContact O-N 3.45Å; V136-F153 HydrophobicContact CB-CD2 4.49Å; V136-F153 HydrophobicContact CB-CE2 3.92Å; V136-F153 HydrophobicContact CG2-CD2 3.95Å; V136-F153 HydrophobicContact CG2-CE2 3.67Å; V136-I157 HydrophobicContact CG2-CG1 4.46Å; V136-I157 HydrophobicContact CG2-CG2 4.12Å; V136-F160 HydrophobicContact CG1-CE1 4.44Å; V136-F160 HydrophobicContact CG2-CE1 4.47Å; V136-L171 HydrophobicContact CG1-CD2 4.43Å; V136-L171 HydrophobicContact CG2-CD2 3.89Å
137S98.3Very high96.8Very high11 Ų1141.8 Ų41.88%0.07722%0.222CC..EExtended strand (participates in β ladder)trans-122.9135.6-180-63.30000110.4A128 V129A128-S137 CarbonylContact C-O 3.52Å; A128-S137 WeakPolarHBondContact CA-O 3.33Å; V129-S137 PolarHBondContact N-O 3.48Å; V129-S137 PolarHBondContact O-N 3.13Å
138W98.1Very high96.7Very high0 Ų044.4 Ų44.40%024%0.238CC..EExtended strand (participates in β ladder)trans-108122.7176.1-64.5-97.5000110.2I127 A128 V136 V147 V148 Q149 E151 W162 F169 P185 M188I127-W138 WeakPolarHBondContact O-CA 3.48Å; A128-W138 HydrophobicContact CB-CG 4.42Å; V136-W138 HydrophobicContact CB-CH2 3.91Å; V136-W138 HydrophobicContact CB-CZ2 4.41Å; V136-W138 HydrophobicContact CB-CZ3 4.13Å; V136-W138 HydrophobicContact CG1-CD2 4.32Å; V136-W138 HydrophobicContact CG1-CE3 4.29Å; V136-W138 HydrophobicContact CG1-CH2 3.56Å; V136-W138 HydrophobicContact CG1-CZ2 3.57Å; V136-W138 HydrophobicContact CG1-CZ3 3.92Å; V136-W138 WeakPolarHBondContact O-CZ3 3.16Å; W138-V147 CarbonylContact O-C 3.58Å; W138-V147 WeakPolarHBondContact O-CA 3.47Å; W138-V148 HydrophobicContact CB-CG2 4.31Å; W138-V148 WeakPolarHBondContact O-CG2 3.18Å; W138-V148 PolarHBondContact O-N 3.25Å; W138-Q149 HydrophobicContact CE3-CB 4.04Å; W138-Q149 HydrophobicContact CE3-CG 3.97Å; W138-Q149 HydrophobicContact CZ3-CG 4.2Å; W138-Q149 PolarHBondContact N-O 2.96Å; W138-E151 HydrophobicContact CH2-CB 4.42Å; W138-E151 HydrophobicContact CZ3-CB 4.13Å; W138-W162 AromaticContact CD1-CH2 3.76Å; W138-W162 AromaticContact CD1-CZ2 3.58Å; W138-W162 AromaticContact NE1-CZ2 3.8Å; W138-F169 AromaticContact CE2-CE1 3.99Å; W138-F169 HydrophobicContact CZ2-CD1 4.03Å; W138-F169 AromaticContact CZ2-CE1 3.57Å; W138-F169 HydrophobicContact CZ2-CE1 3.57Å; W138-F169 HydrophobicContact CZ2-CZ 4.25Å; W138-F169 AromaticContact NE1-CE1 3.8Å; W138-F169 AromaticContact NE1-CZ 3.74Å; W138-P185 HydrophobicContact CB-CB 3.79Å; W138-P185 HydrophobicContact CB-CG 4.38Å; W138-P185 HydrophobicContact CG-CB 4.19Å; W138-P185 HydrophobicContact CG-CG 4.39Å; W138-M188 HydrophobicContact CB-CE 4.48Å; W138-M188 HydrophobicContact CD2-CE 3.35Å; W138-M188 HydrophobicContact CE3-CE 4.01Å; W138-M188 HydrophobicContact CG-CE 3.57Å; W138-M188 HydrophobicContact CH2-CE 4.28Å; W138-M188 HydrophobicContact CZ2-CE 3.66Å; W138-M188 HydrophobicContact CZ3-CE 4.43Å; W138-M188 VanDerWaalsContact NE1-CE 3.29Å
139F98.2Very high96.7Very high6 Ų646 Ų463%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-103.6131.9-177.1-68.2-102.7000110.1I95 Y126 I127 V129 F145 K146 V147I95-F139 HydrophobicContact CD1-CD1 3.94Å; I95-F139 HydrophobicContact CD1-CD2 3.67Å; I95-F139 HydrophobicContact CD1-CE1 3.96Å; I95-F139 HydrophobicContact CD1-CE2 3.7Å; I95-F139 HydrophobicContact CD1-CG 3.8Å; I95-F139 HydrophobicContact CD1-CZ 3.84Å; Y126-F139 WeakPolarHBondContact CA-O 3.06Å; I127-F139 PolarHBondContact N-O 3.22Å; I127-F139 PolarHBondContact O-N 2.93Å; V129-F139 HydrophobicContact CB-CE2 4.08Å; V129-F139 HydrophobicContact CG2-CD2 4.01Å; V129-F139 HydrophobicContact CG2-CE2 3.93Å; F139-F145 HydrophobicContact CD1-CB 4.2Å; F139-F145 VanDerWaalsContact CD1-O 3.31Å; F139-F145 WeakPolarHBondContact CD1-O 3.13Å; F139-K146 CarbonylContact C-O 3.55Å; F139-K146 WeakPolarHBondContact CA-O 3.32Å; F139-V147 HydrophobicContact CD1-CG2 3.85Å; F139-V147 HydrophobicContact CE1-CG2 3.4Å; F139-V147 VanDerWaalsContact CE1-CG2 3.4Å; F139-V147 HydrophobicContact CE2-CG2 4.21Å; F139-V147 HydrophobicContact CG-CG2 4.44Å; F139-V147 HydrophobicContact CZ-CG2 3.61Å
140D98Very high96.7Very high9 Ų948.3 Ų48.35%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-88.9114.4167.2-174.1-36000109.3R125 Y126 R142 A143 F145 K146 V148R125-D140 IonicContact CZ-OD2 3.5Å; R125-D140 IonicContact NE-OD1 3.66Å; R125-D140 IonicContact NE-OD2 2.98Å; R125-D140 PolarHBondContact NE-OD2 2.85Å; R125-D140 IonicContact NH2-OD2 2.85Å; R125-D140 PolarHBondContact NH2-OD2 3.01Å; Y126-D140 HydrophobicContact CD1-CB 4Å; Y126-D140 HydrophobicContact CE1-CB 3.9Å; D140-R142 WeakPolarHBondContact OD1-CA 3.37Å; D140-R142 WeakPolarHBondContact OD1-CB 3.49Å; D140-R142 PolarHBondContact OD1-N 2.82Å; D140-A143 HydrophobicContact CB-CB 3.92Å; D140-A143 PolarHBondContact O-N 2.77Å; D140-A143 PolarHBondContact OD1-N 2.91Å; D140-F145 VanDerWaalsContact O-CA 3.31Å; D140-F145 WeakPolarHBondContact O-CA 3.2Å; D140-F145 PolarHBondContact O-N 3.21Å; D140-K146 PolarHBondContact N-O 3.09Å; D140-K146 PolarHBondContact O-N 3.03Å; D140-V148 HydrophobicContact CB-CG1 3.64Å
141L96.2Very high96.6Very high30 Ų3050.3 Ų50.316%0.15727%0.273CS..THydrogen-bonded Turntrans-70.7-31.3-177-59.8-176.6000112.5W120 R125 I127 A143 G144 F145W120-L141 HydrophobicContact CZ2-CD1 3.43Å; W120-L141 VanDerWaalsContact CZ2-CD1 3.43Å; R125-L141 WeakPolarHBondContact O-CB 3.35Å; R125-L141 WeakPolarHBondContact O-CG 3.29Å; R125-L141 PolarHBondContact O-N 2.99Å; I127-L141 HydrophobicContact CB-CD2 4.49Å; I127-L141 HydrophobicContact CD1-CD1 3.99Å; I127-L141 HydrophobicContact CD1-CD2 3.93Å; I127-L141 HydrophobicContact CD1-CG 4.47Å; I127-L141 HydrophobicContact CG1-CD1 4Å; I127-L141 HydrophobicContact CG1-CD2 4.13Å; I127-L141 HydrophobicContact CG1-CG 4.33Å; L141-A143 VanDerWaalsContact C-N 3.3Å; L141-G144 PolarHBondContact O-N 2.92Å; L141-F145 HydrophobicContact CD2-CD1 3.52Å; L141-F145 HydrophobicContact CD2-CE1 3.32Å; L141-F145 HydrophobicContact CD2-CE2 4.48Å; L141-F145 HydrophobicContact CD2-CG 4.23Å; L141-F145 HydrophobicContact CD2-CZ 3.86Å
142R93.7Very high96.6Very high204 Ų20455.3 Ų55.377%0.7730%0.295SS*.THydrogen-bonded Turntrans-76.1-24.1178.2-64-173.8177.61792.2111.9D140 G144D140-R142 WeakPolarHBondContact OD1-CA 3.37Å; D140-R142 WeakPolarHBondContact OD1-CB 3.49Å; D140-R142 PolarHBondContact OD1-N 2.82Å; R142-G144 PolarHBondContact O-N 3.44Å
143A93.1Very high96.7Very high40 Ų4050.7 Ų50.733%0.33128%0.275SS..THydrogen-bonded Turntrans-87.514.2175.400000113.5D140 L141 K146D140-A143 HydrophobicContact CB-CB 3.92Å; D140-A143 PolarHBondContact O-N 2.77Å; D140-A143 PolarHBondContact OD1-N 2.91Å; L141-A143 VanDerWaalsContact C-N 3.3Å; A143-K146 HydrophobicContact CB-CB 4.19Å; A143-K146 HydrophobicContact CB-CD 4.21Å; A143-K146 HydrophobicContact CB-CG 4.45Å; A143-K146 WeakPolarHBondContact O-CD 3.31Å; A143-K146 VanDerWaalsContact O-CG 3.3Å; A143-K146 WeakPolarHBondContact O-CG 3.37Å
144G92.5Very high96.7Very high59 Ų5953.8 Ų53.861%0.60829%0.294SS*.THydrogen-bonded Turntrans75.343.5-179.500000112.9L141 R142 K146L141-G144 PolarHBondContact O-N 2.92Å; R142-G144 PolarHBondContact O-N 3.44Å; G144-K146 VanDerWaalsContact C-N 3.31Å; G144-K146 PolarHBondContact O-N 3.47Å
145F94.5Very high96.6Very high31 Ų3153.1 Ų53.114%0.13629%0.292CS..SBendtrans57.541.8-178.4-58.6-105.7000112.6I95 L97 I107 A109 F139 D140 L141I95-F145 HydrophobicContact CG2-CE1 4.23Å; L97-F145 HydrophobicContact CD1-CE1 4.08Å; L97-F145 HydrophobicContact CD1-CZ 3.51Å; L97-F145 HydrophobicContact CG-CE1 4.08Å; L97-F145 HydrophobicContact CG-CZ 3.79Å; I107-F145 HydrophobicContact CB-CZ 4.47Å; I107-F145 HydrophobicContact CG2-CD2 4.41Å; I107-F145 HydrophobicContact CG2-CE2 3.45Å; I107-F145 VanDerWaalsContact CG2-CE2 3.45Å; I107-F145 HydrophobicContact CG2-CZ 3.77Å; A109-F145 HydrophobicContact CB-CB 3.41Å; A109-F145 VanDerWaalsContact CB-CB 3.41Å; A109-F145 HydrophobicContact CB-CD1 3.57Å; A109-F145 HydrophobicContact CB-CD2 4.29Å; A109-F145 HydrophobicContact CB-CE1 4.35Å; A109-F145 HydrophobicContact CB-CG 3.52Å; F139-F145 HydrophobicContact CD1-CB 4.2Å; F139-F145 VanDerWaalsContact CD1-O 3.31Å; F139-F145 WeakPolarHBondContact CD1-O 3.13Å; D140-F145 VanDerWaalsContact O-CA 3.31Å; D140-F145 WeakPolarHBondContact O-CA 3.2Å; D140-F145 PolarHBondContact O-N 3.21Å; L141-F145 HydrophobicContact CD2-CD1 3.52Å; L141-F145 HydrophobicContact CD2-CE1 3.32Å; L141-F145 HydrophobicContact CD2-CE2 4.48Å; L141-F145 HydrophobicContact CD2-CG 4.23Å; L141-F145 HydrophobicContact CD2-CZ 3.86Å
146K95.9Very high96.5Very high141 Ų14156.6 Ų56.661%0.61331%0.308SS*.EExtended strand (participates in β ladder)trans-76.6133170.8-75.8178.8-173.6-178.30109.4F139 D140 A143 G144 V148F139-K146 CarbonylContact C-O 3.55Å; F139-K146 WeakPolarHBondContact CA-O 3.32Å; D140-K146 PolarHBondContact N-O 3.09Å; D140-K146 PolarHBondContact O-N 3.03Å; A143-K146 HydrophobicContact CB-CB 4.19Å; A143-K146 HydrophobicContact CB-CD 4.21Å; A143-K146 HydrophobicContact CB-CG 4.45Å; A143-K146 WeakPolarHBondContact O-CD 3.31Å; A143-K146 VanDerWaalsContact O-CG 3.3Å; A143-K146 WeakPolarHBondContact O-CG 3.37Å; G144-K146 VanDerWaalsContact C-N 3.31Å; G144-K146 PolarHBondContact O-N 3.47Å; K146-V148 PolarHBondContact O-N 2.98Å
147V96.9Very high96.5Very high71 Ų7157 Ų5743%0.4331%0.31SS..EExtended strand (participates in β ladder)trans-67.5113.1168.4-178.30000107.9W138 F139 Q149 A150W138-V147 CarbonylContact O-C 3.58Å; W138-V147 WeakPolarHBondContact O-CA 3.47Å; F139-V147 HydrophobicContact CD1-CG2 3.85Å; F139-V147 HydrophobicContact CE1-CG2 3.4Å; F139-V147 VanDerWaalsContact CE1-CG2 3.4Å; F139-V147 HydrophobicContact CE2-CG2 4.21Å; F139-V147 HydrophobicContact CG-CG2 4.44Å; F139-V147 HydrophobicContact CZ-CG2 3.61Å; V147-Q149 VanDerWaalsContact CG1-O 3.3Å; V147-Q149 WeakPolarHBondContact CG1-O 2.95Å; V147-A150 HydrophobicContact CG1-CB 4.07Å
148V97.6Very high96.5Very high55 Ų5558.6 Ų58.633%0.33332%0.318SS..EExtended strand (participates in β ladder)trans-92.9-23.9178.7-68.30000112.3Y126 W138 D140 K146 P185Y126-V148 HydrophobicContact CD1-CG2 4.22Å; Y126-V148 HydrophobicContact CE1-CG2 4.14Å; W138-V148 HydrophobicContact CB-CG2 4.31Å; W138-V148 WeakPolarHBondContact O-CG2 3.18Å; W138-V148 PolarHBondContact O-N 3.25Å; D140-V148 HydrophobicContact CB-CG1 3.64Å; K146-V148 PolarHBondContact O-N 2.98Å; V148-P185 HydrophobicContact CG2-CB 3.72Å
149Q97.9Very high96.5Very high34 Ų3460.5 Ų60.516%0.15933%0.326CS..EExtended strand (participates in β ladder)trans-152.9147.9175.6-176.1165.9-9.900108.8W138 V147 M188W138-Q149 HydrophobicContact CE3-CB 4.04Å; W138-Q149 HydrophobicContact CE3-CG 3.97Å; W138-Q149 HydrophobicContact CZ3-CG 4.2Å; W138-Q149 PolarHBondContact N-O 2.96Å; V147-Q149 VanDerWaalsContact CG1-O 3.3Å; V147-Q149 WeakPolarHBondContact CG1-O 2.95Å; Q149-M188 PolarHBondContact NE2-O 3.02Å; Q149-M188 VanDerWaalsContact NE2-O 3.11Å; Q149-M188 VanDerWaalsContact OE1-N 3.09Å
150A97.9Very high96.5Very high51 Ų5160.4 Ų60.442%0.42133%0.326SS..EExtended strand (participates in β ladder)trans-147.8143.3169.800000109.3L135 V136 V147L135-A150 HydrophobicContact CD1-CB 4.19Å; V136-A150 CarbonylContact O-C 3.55Å; V136-A150 VanDerWaalsContact O-CA 3.24Å; V136-A150 WeakPolarHBondContact O-CA 3.49Å; V147-A150 HydrophobicContact CG1-CB 4.07Å
151E97.5Very high96.5Very high47 Ų4760.9 Ų60.922%0.2233%0.331CS..EExtended strand (participates in β ladder)trans-135.1128.1179.1-172.1173.2161.800109.4V136 W138 F153 Y181 R190V136-E151 PolarHBondContact N-O 3.3Å; V136-E151 PolarHBondContact O-N 3.45Å; W138-E151 HydrophobicContact CH2-CB 4.42Å; W138-E151 HydrophobicContact CZ3-CB 4.13Å; E151-F153 HydrophobicContact CB-CE2 3.77Å; E151-F153 HydrophobicContact CB-CZ 4.04Å; E151-F153 HydrophobicContact CG-CD2 4.36Å; E151-F153 HydrophobicContact CG-CE1 4.25Å; E151-F153 HydrophobicContact CG-CE2 3.78Å; E151-F153 HydrophobicContact CG-CZ 3.73Å; E151-F153 WeakPolarHBondContact O-CD2 3.47Å; E151-F153 WeakPolarHBondContact OE1-CE1 3.2Å; E151-F153 WeakPolarHBondContact OE1-CZ 3.45Å; E151-Y181 PolarHBondContact OE1-OH 2.85Å; E151-Y181 VanDerWaalsContact OE2-CE1 3.28Å; E151-Y181 WeakPolarHBondContact OE2-CE1 3.35Å; E151-Y181 PolarHBondContact OE2-OH 2.76Å; E151-R190 IonicContact OE1-CZ 2.87Å; E151-R190 IonicContact OE1-NH2 3.04Å; E151-R190 PolarHBondContact OE1-NH2 2.59Å
152Q98Very high96.7Very high111 Ų11160.5 Ų60.552%0.51933%0.328SS..EExtended strand (participates in β ladder)trans-93.4120.1175.8178.962.165.700108.6T133 D134 L135T133-Q152 PolarHBondContact O-NE2 2.84Å; D134-Q152 PolarHBondContact O-NE2 3.49Å; L135-Q152 HydrophobicContact CD1-CB 4.36Å
153F97.8Very high96.8Very high14 Ų1451.5 Ų51.56%0.06130%0.295CS..  trans-95.8154.6177.5-64.1-93000110.8D134 V136 E151 I157 L171 L179 Y181D134-F153 HydrophobicContact CB-CB 4.18Å; D134-F153 PolarHBondContact O-N 2.86Å; V136-F153 HydrophobicContact CB-CD2 4.49Å; V136-F153 HydrophobicContact CB-CE2 3.92Å; V136-F153 HydrophobicContact CG2-CD2 3.95Å; V136-F153 HydrophobicContact CG2-CE2 3.67Å; E151-F153 HydrophobicContact CB-CE2 3.77Å; E151-F153 HydrophobicContact CB-CZ 4.04Å; E151-F153 HydrophobicContact CG-CD2 4.36Å; E151-F153 HydrophobicContact CG-CE1 4.25Å; E151-F153 HydrophobicContact CG-CE2 3.78Å; E151-F153 HydrophobicContact CG-CZ 3.73Å; E151-F153 WeakPolarHBondContact O-CD2 3.47Å; E151-F153 WeakPolarHBondContact OE1-CE1 3.2Å; E151-F153 WeakPolarHBondContact OE1-CZ 3.45Å; F153-I157 HydrophobicContact CB-CD1 4.04Å; F153-I157 HydrophobicContact CB-CG1 3.78Å; F153-I157 HydrophobicContact CD1-CD1 3.84Å; F153-I157 HydrophobicContact CD1-CG1 4.27Å; F153-I157 HydrophobicContact CD2-CD1 4.25Å; F153-I157 HydrophobicContact CD2-CG1 3.8Å; F153-I157 HydrophobicContact CE1-CD1 4.37Å; F153-I157 HydrophobicContact CE2-CG1 4.48Å; F153-I157 HydrophobicContact CG-CD1 3.77Å; F153-I157 HydrophobicContact CG-CG1 3.68Å; F153-L171 HydrophobicContact CE2-CD2 4.34Å; F153-L171 HydrophobicContact CZ-CD2 4.18Å; F153-L179 HydrophobicContact CD1-CD1 3.96Å; F153-L179 HydrophobicContact CE1-CD1 3.52Å; F153-Y181 WeakPolarHBondContact CZ-OH 3.25Å
154T95.4Very high97Very high154 Ų15452.4 Ų52.495%0.94530%0.298SS*.SBendtrans-99.9-9.3178.455.50000113.2
155S94.6Very high97.2Very high19 Ų1952.9 Ų52.913%0.13329%0.291CS..SBendtrans-119.5156.7174.359.30000108.7I157S155-I157 PolarHBondContact O-N 2.78Å
156E96.7Very high97.3Very high102 Ų10252.7 Ų52.748%0.47730%0.299SS..  trans-55.6133.9178.4-58.687.6164.400110.3D134 T173 G174D134-E156 VanDerWaalsContact OD1-CA 3.28Å; D134-E156 WeakPolarHBondContact OD1-CA 3.47Å; E156-T173 CarbonylContact O-C 3.5Å; E156-T173 WeakPolarHBondContact O-CA 3.47Å; E156-G174 PolarHBondContact O-N 3.38Å
157I98.2Very high97.3Very high9 Ų952.6 Ų52.65%0.04630%0.3CS..EExtended strand (participates in β ladder)trans-106.9109.3169.6-59.7-58.1000108.1D134 V136 F153 S155 F160 L171 T172 T173 L179D134-I157 PolarHBondContact OD1-N 3.01Å; V136-I157 HydrophobicContact CG2-CG1 4.46Å; V136-I157 HydrophobicContact CG2-CG2 4.12Å; F153-I157 HydrophobicContact CB-CD1 4.04Å; F153-I157 HydrophobicContact CB-CG1 3.78Å; F153-I157 HydrophobicContact CD1-CD1 3.84Å; F153-I157 HydrophobicContact CD1-CG1 4.27Å; F153-I157 HydrophobicContact CD2-CD1 4.25Å; F153-I157 HydrophobicContact CD2-CG1 3.8Å; F153-I157 HydrophobicContact CE1-CD1 4.37Å; F153-I157 HydrophobicContact CE2-CG1 4.48Å; F153-I157 HydrophobicContact CG-CD1 3.77Å; F153-I157 HydrophobicContact CG-CG1 3.68Å; S155-I157 PolarHBondContact O-N 2.78Å; I157-F160 HydrophobicContact CG2-CD1 4.02Å; I157-L171 HydrophobicContact CG2-CB 4.24Å; I157-L171 HydrophobicContact CG2-CD2 3.82Å; I157-T172 WeakPolarHBondContact CA-O 3.32Å; I157-T173 HydrophobicContact CD1-CG2 4Å; I157-L179 HydrophobicContact CD1-CD1 4.48Å
158N97.8Very high97.3Very high44 Ų4450 Ų5024%0.23529%0.286CS..EExtended strand (participates in β ladder)trans-90.8-50.5-171.5-53.8-78.8000112.1N117 T172 G174 N200 A201 M202N117-N158 PolarHBondContact ND2-O 2.83Å; N158-T172 PolarHBondContact N-O 2.95Å; N158-G174 PolarHBondContact ND2-N 2.94Å; N158-N200 VanDerWaalsContact CG-OD1 3.29Å; N158-N200 PolarHBondContact ND2-OD1 2.88Å; N158-N200 PolarHBondContact OD1-OD1 3.1Å; N158-A201 WeakPolarHBondContact CB-O 3.47Å; N158-A201 PolarHBondContact ND2-O 3.13Å; N158-M202 WeakPolarHBondContact CB-O 3.49Å
159E98.1Very high97.3Very high40 Ų4047.4 Ų47.419%0.18727%0.27CS..EExtended strand (participates in β ladder)trans-135.6148.7-177.3-165.457.1-8800111.8N117 L171 T172 L204N117-E159 VanDerWaalsContact ND2-CA 3.34Å; N117-E159 WeakPolarHBondContact ND2-CA 3.39Å; N117-E159 PolarHBondContact ND2-OE1 3.45Å; N117-E159 PolarHBondContact OD1-OE1 3.29Å; E159-L171 CarbonylContact O-C 3.5Å; E159-L171 VanDerWaalsContact O-CA 3.32Å; E159-L171 WeakPolarHBondContact O-CA 3.49Å; E159-T172 PolarHBondContact N-OG1 3.47Å; E159-T172 VanDerWaalsContact N-OG1 3.08Å; E159-T172 PolarHBondContact O-N 2.83Å; E159-T172 PolarHBondContact O-OG1 2.79Å; E159-L204 HydrophobicContact CB-CB 4.24Å; E159-L204 HydrophobicContact CG-CB 4.11Å; E159-L204 WeakPolarHBondContact CG-O 3.19Å
160F98.6Very high97.3Very high3 Ų345.8 Ų45.81%0.01326%0.263CS..EExtended strand (participates in β ladder)trans-150.2147.5171.553.8-106.2000112.9N117 A119 A128 V136 I157 F169 L170 L171N117-F160 HydrophobicContact CB-CE1 3.66Å; N117-F160 HydrophobicContact CB-CZ 3.76Å; A119-F160 HydrophobicContact CB-CD2 3.73Å; A119-F160 HydrophobicContact CB-CE2 3.73Å; A128-F160 HydrophobicContact CB-CD2 4Å; A128-F160 HydrophobicContact CB-CE2 3.54Å; A128-F160 HydrophobicContact CB-CZ 4.26Å; V136-F160 HydrophobicContact CG1-CE1 4.44Å; V136-F160 HydrophobicContact CG2-CE1 4.47Å; I157-F160 HydrophobicContact CG2-CD1 4.02Å; F160-F169 HydrophobicContact CB-CE1 3.93Å; F160-F169 HydrophobicContact CB-CE2 4.23Å; F160-F169 HydrophobicContact CB-CZ 3.57Å; F160-F169 HydrophobicContact CD2-CE1 4.41Å; F160-F169 AromaticContact CD2-CE2 3.83Å; F160-F169 HydrophobicContact CD2-CE2 3.83Å; F160-F169 AromaticContact CD2-CZ 3.36Å; F160-F169 HydrophobicContact CD2-CZ 3.36Å; F160-F169 HydrophobicContact CE2-CZ 4.22Å; F160-F169 HydrophobicContact CG-CE1 4.27Å; F160-F169 HydrophobicContact CG-CE2 4.38Å; F160-F169 AromaticContact CG-CZ 3.61Å; F160-F169 HydrophobicContact CG-CZ 3.61Å; F160-L170 CarbonylContact C-O 3.59Å; F160-L170 WeakPolarHBondContact CA-O 3.42Å; F160-L170 WeakPolarHBondContact CB-O 3.4Å; F160-L171 HydrophobicContact CB-CB 4.2Å; F160-L171 HydrophobicContact CB-CD2 4.17Å; F160-L171 HydrophobicContact CB-CG 3.81Å; F160-L171 HydrophobicContact CD1-CD2 4.38Å
161A98.6Very high97.4Very high20 Ų2043.4 Ų43.417%0.16524%0.243CC..EExtended strand (participates in β ladder)trans-153.5147.7179.400000111.7F169 L170 L204 F206A161-F169 WeakPolarHBondContact O-CA 3.22Å; A161-L170 PolarHBondContact N-O 3.22Å; A161-L170 PolarHBondContact O-N 3.25Å; A161-L204 HydrophobicContact CB-CD2 3.82Å; A161-F206 HydrophobicContact CB-CD2 4.09Å; A161-F206 HydrophobicContact CB-CE2 4.46Å
162W98.5Very high97.4Very high22 Ų2241.1 Ų41.18%0.08323%0.232CC..EExtended strand (participates in β ladder)trans-74.9146.6160.3-75.7-83.2000110.1A119 P122 A128 W138 A168 F169 P185 F206A119-W162 HydrophobicContact CB-CE3 3.89Å; A119-W162 HydrophobicContact CB-CZ3 3.68Å; A119-W162 WeakPolarHBondContact O-CZ3 3.4Å; P122-W162 HydrophobicContact CG-CB 4.01Å; A128-W162 HydrophobicContact CB-CH2 3.43Å; A128-W162 VanDerWaalsContact CB-CH2 3.43Å; A128-W162 HydrophobicContact CB-CZ2 4.35Å; A128-W162 HydrophobicContact CB-CZ3 3.73Å; W138-W162 AromaticContact CD1-CH2 3.76Å; W138-W162 AromaticContact CD1-CZ2 3.58Å; W138-W162 AromaticContact NE1-CZ2 3.8Å; W162-A168 CarbonylContact C-O 3.46Å; W162-A168 WeakPolarHBondContact CA-O 3.3Å; W162-F169 HydrophobicContact CB-CD2 4.4Å; W162-F169 AromaticContact CD1-CD2 3.76Å; W162-F169 AromaticContact CD2-CD2 3.35Å; W162-F169 HydrophobicContact CD2-CD2 3.35Å; W162-F169 AromaticContact CD2-CE2 3.73Å; W162-F169 HydrophobicContact CD2-CE2 3.73Å; W162-F169 HydrophobicContact CD2-CG 4.46Å; W162-F169 AromaticContact CE2-CD2 3.39Å; W162-F169 AromaticContact CE2-CE2 3.83Å; W162-F169 AromaticContact CE3-CD2 3.8Å; W162-F169 HydrophobicContact CE3-CD2 3.8Å; W162-F169 AromaticContact CE3-CE2 3.66Å; W162-F169 HydrophobicContact CE3-CE2 3.66Å; W162-F169 HydrophobicContact CG-CB 4.46Å; W162-F169 AromaticContact CG-CD2 3.63Å; W162-F169 HydrophobicContact CG-CD2 3.63Å; W162-F169 HydrophobicContact CG-CE2 4.42Å; W162-F169 HydrophobicContact CH2-CD2 4.35Å; W162-F169 AromaticContact CH2-CE2 3.95Å; W162-F169 HydrophobicContact CH2-CE2 3.95Å; W162-F169 AromaticContact CZ2-CD2 3.94Å; W162-F169 HydrophobicContact CZ2-CD2 3.94Å; W162-F169 AromaticContact CZ2-CE2 3.97Å; W162-F169 HydrophobicContact CZ2-CE2 3.97Å; W162-F169 HydrophobicContact CZ3-CD2 4.25Å; W162-F169 AromaticContact CZ3-CE2 3.76Å; W162-F169 HydrophobicContact CZ3-CE2 3.76Å; W162-F169 AromaticContact NE1-CD2 3.61Å; W162-P185 HydrophobicContact CZ2-CG 4.2Å; W162-F206 WeakPolarHBondContact O-CD2 3.28Å
163N97.6Very high97.5Very high15 Ų1536 Ų368%0.0821%0.209CC..  trans-66.6157.7161.177.9-23.4000109.8P122 S165 G166 E167 A168 F206P122-N163 VanDerWaalsContact CG-O 3.28Å; P122-N163 WeakPolarHBondContact CG-O 3.18Å; N163-S165 PolarHBondContact ND2-OG 3.06Å; N163-S165 PolarHBondContact O-N 3.02Å; N163-S165 VanDerWaalsContact O-N 3.16Å; N163-S165 PolarHBondContact OD1-OG 3.04Å; N163-G166 PolarHBondContact O-N 2.96Å; N163-G166 WeakPolarHBondContact OD1-CA 3.43Å; N163-G166 PolarHBondContact OD1-N 2.89Å; N163-E167 PolarHBondContact OD1-N 3.47Å; N163-A168 HydrophobicContact CB-CB 4.35Å; N163-A168 PolarHBondContact N-O 3.13Å; N163-A168 PolarHBondContact OD1-N 2.99Å; N163-A168 PolarHBondContact OD1-O 2.98Å; N163-F206 HydrophobicContact CB-CD1 3.79Å; N163-F206 HydrophobicContact CB-CD2 4.23Å; N163-F206 HydrophobicContact CB-CE1 3.45Å; N163-F206 VanDerWaalsContact CB-CE1 3.45Å; N163-F206 HydrophobicContact CB-CE2 3.92Å; N163-F206 HydrophobicContact CB-CG 4.16Å; N163-F206 HydrophobicContact CB-CZ 3.5Å; N163-F206 VanDerWaalsContact CB-CZ 3.5Å
164P97Very high97.5Very high59 Ų5936 Ų3638%0.38321%0.212SC..THydrogen-bonded Turntrans-58-28.1-178.4-29.137.2000115.4P122 G166 G210P122-P164 WeakPolarHBondContact CB-O 3.42Å; P164-G166 VanDerWaalsContact C-N 3.3Å; P164-G210 VanDerWaalsContact CD-CA 3.46Å
165S96Very high97.6Very high68 Ų6833.8 Ų33.848%0.47619%0.193SC..THydrogen-bonded Turntrans-75.5-19.217568.50000113.2N163 E167N163-S165 PolarHBondContact ND2-OG 3.06Å; N163-S165 PolarHBondContact O-N 3.02Å; N163-S165 VanDerWaalsContact O-N 3.16Å; N163-S165 PolarHBondContact OD1-OG 3.04Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 WeakPolarHBondContact CB-OE2 3.47Å; S165-E167 WeakPolarHBondContact OG-CB 3.32Å; S165-E167 WeakPolarHBondContact OG-CG 3.41Å; S165-E167 PolarHBondContact OG-N 2.78Å; S165-E167 PolarHBondContact OG-OE2 3.08Å
166G96.6Very high97.8Very high28 Ų2832.9 Ų32.929%0.28919%0.187SC..SBendtrans78.19.8-175.800000114.1N163 P164N163-G166 PolarHBondContact O-N 2.96Å; N163-G166 WeakPolarHBondContact OD1-CA 3.43Å; N163-G166 PolarHBondContact OD1-N 2.89Å; P164-G166 VanDerWaalsContact C-N 3.3Å
167E95.1Very high97.8Very high139 Ų13928.5 Ų28.565%0.6517%0.168SC*.SBendtrans-84-27.3-178.7-67.4167.814400112.8N163 S165N163-E167 PolarHBondContact OD1-N 3.47Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 WeakPolarHBondContact CB-OE2 3.47Å; S165-E167 WeakPolarHBondContact OG-CB 3.32Å; S165-E167 WeakPolarHBondContact OG-CG 3.41Å; S165-E167 PolarHBondContact OG-N 2.78Å; S165-E167 PolarHBondContact OG-OE2 3.08Å
168A97Very high97.8Very high15 Ų1528.1 Ų28.112%0.12417%0.166CC..EExtended strand (participates in β ladder)trans-124143.1178.500000111.2W162 N163 Y181W162-A168 CarbonylContact C-O 3.46Å; W162-A168 WeakPolarHBondContact CA-O 3.3Å; N163-A168 HydrophobicContact CB-CB 4.35Å; N163-A168 PolarHBondContact N-O 3.13Å; N163-A168 PolarHBondContact OD1-N 2.99Å; N163-A168 PolarHBondContact OD1-O 2.98Å; A168-Y181 WeakPolarHBondContact CA-O 3.34Å
169F98.5Very high97.9Very high2 Ų226.4 Ų26.41%0.00916%0.157CC..EExtended strand (participates in β ladder)trans-125.9122.1170.4-177.5-100000109.1A128 W138 F160 A161 W162 L171 Y181A128-F169 HydrophobicContact CB-CE2 3.94Å; A128-F169 HydrophobicContact CB-CZ 3.69Å; W138-F169 AromaticContact CE2-CE1 3.99Å; W138-F169 HydrophobicContact CZ2-CD1 4.03Å; W138-F169 AromaticContact CZ2-CE1 3.57Å; W138-F169 HydrophobicContact CZ2-CE1 3.57Å; W138-F169 HydrophobicContact CZ2-CZ 4.25Å; W138-F169 AromaticContact NE1-CE1 3.8Å; W138-F169 AromaticContact NE1-CZ 3.74Å; F160-F169 HydrophobicContact CB-CE1 3.93Å; F160-F169 HydrophobicContact CB-CE2 4.23Å; F160-F169 HydrophobicContact CB-CZ 3.57Å; F160-F169 HydrophobicContact CD2-CE1 4.41Å; F160-F169 AromaticContact CD2-CE2 3.83Å; F160-F169 HydrophobicContact CD2-CE2 3.83Å; F160-F169 AromaticContact CD2-CZ 3.36Å; F160-F169 HydrophobicContact CD2-CZ 3.36Å; F160-F169 HydrophobicContact CE2-CZ 4.22Å; F160-F169 HydrophobicContact CG-CE1 4.27Å; F160-F169 HydrophobicContact CG-CE2 4.38Å; F160-F169 AromaticContact CG-CZ 3.61Å; F160-F169 HydrophobicContact CG-CZ 3.61Å; A161-F169 WeakPolarHBondContact O-CA 3.22Å; W162-F169 HydrophobicContact CB-CD2 4.4Å; W162-F169 AromaticContact CD1-CD2 3.76Å; W162-F169 AromaticContact CD2-CD2 3.35Å; W162-F169 HydrophobicContact CD2-CD2 3.35Å; W162-F169 AromaticContact CD2-CE2 3.73Å; W162-F169 HydrophobicContact CD2-CE2 3.73Å; W162-F169 HydrophobicContact CD2-CG 4.46Å; W162-F169 AromaticContact CE2-CD2 3.39Å; W162-F169 AromaticContact CE2-CE2 3.83Å; W162-F169 AromaticContact CE3-CD2 3.8Å; W162-F169 HydrophobicContact CE3-CD2 3.8Å; W162-F169 AromaticContact CE3-CE2 3.66Å; W162-F169 HydrophobicContact CE3-CE2 3.66Å; W162-F169 HydrophobicContact CG-CB 4.46Å; W162-F169 AromaticContact CG-CD2 3.63Å; W162-F169 HydrophobicContact CG-CD2 3.63Å; W162-F169 HydrophobicContact CG-CE2 4.42Å; W162-F169 HydrophobicContact CH2-CD2 4.35Å; W162-F169 AromaticContact CH2-CE2 3.95Å; W162-F169 HydrophobicContact CH2-CE2 3.95Å; W162-F169 AromaticContact CZ2-CD2 3.94Å; W162-F169 HydrophobicContact CZ2-CD2 3.94Å; W162-F169 AromaticContact CZ2-CE2 3.97Å; W162-F169 HydrophobicContact CZ2-CE2 3.97Å; W162-F169 HydrophobicContact CZ3-CD2 4.25Å; W162-F169 AromaticContact CZ3-CE2 3.76Å; W162-F169 HydrophobicContact CZ3-CE2 3.76Å; W162-F169 AromaticContact NE1-CD2 3.61Å; F169-L171 HydrophobicContact CD1-CD1 3.72Å; F169-L171 HydrophobicContact CD1-CG 4.11Å; F169-L171 HydrophobicContact CE1-CD1 3.74Å; F169-L171 HydrophobicContact CE1-CD2 3.94Å; F169-L171 HydrophobicContact CE1-CG 3.66Å; F169-Y181 PolarHBondContact N-O 3.09Å; F169-Y181 PolarHBondContact O-N 3.24Å
170L98.7Very high97.9Very high0 Ų024.8 Ų24.80%015%0.15CC..EExtended strand (participates in β ladder)trans-107.3144.2-177.5-56.2-171.4000110.8F160 A161 I178 L179 V180 L204 F206 F213 F230F160-L170 CarbonylContact C-O 3.59Å; F160-L170 WeakPolarHBondContact CA-O 3.42Å; F160-L170 WeakPolarHBondContact CB-O 3.4Å; A161-L170 PolarHBondContact N-O 3.22Å; A161-L170 PolarHBondContact O-N 3.25Å; L170-I178 HydrophobicContact CB-CG2 4.11Å; L170-I178 HydrophobicContact CD1-CG2 4.18Å; L170-I178 HydrophobicContact CD2-CG2 4.22Å; L170-I178 HydrophobicContact CG-CG2 4.39Å; L170-L179 WeakPolarHBondContact CA-O 3.35Å; L170-V180 HydrophobicContact CD2-CB 3.97Å; L170-V180 HydrophobicContact CD2-CG1 3.84Å; L170-V180 HydrophobicContact CD2-CG2 3.75Å; L170-L204 HydrophobicContact CB-CD1 3.68Å; L170-L204 HydrophobicContact CB-CD2 4.18Å; L170-L204 HydrophobicContact CD1-CD1 4.01Å; L170-F206 HydrophobicContact CB-CE2 4.25Å; L170-F206 HydrophobicContact CB-CZ 4.46Å; L170-F206 HydrophobicContact CD1-CE1 4.05Å; L170-F206 HydrophobicContact CD1-CE2 3.72Å; L170-F206 HydrophobicContact CD1-CZ 3.24Å; L170-F206 HydrophobicContact CG-CE2 3.75Å; L170-F206 HydrophobicContact CG-CZ 3.49Å; L170-F206 VanDerWaalsContact CG-CZ 3.49Å; L170-F213 HydrophobicContact CD1-CD1 3.87Å; L170-F213 HydrophobicContact CD1-CD2 4.04Å; L170-F213 HydrophobicContact CD1-CE1 3.93Å; L170-F213 HydrophobicContact CD1-CE2 4.11Å; L170-F213 HydrophobicContact CD1-CG 3.93Å; L170-F213 HydrophobicContact CD1-CZ 4.04Å; L170-F230 HydrophobicContact CD1-CE1 4.22Å; L170-F230 HydrophobicContact CD2-CE1 3.82Å; L170-F230 HydrophobicContact CD2-CZ 4.35Å
171L98.7Very high97.9Very high0 Ų024.8 Ų24.80%015%0.15CC..EExtended strand (participates in β ladder)trans-127.8139.4169.8-50.494000110V136 F153 I157 E159 F160 F169 I178 L179 Y181V136-L171 HydrophobicContact CG1-CD2 4.43Å; V136-L171 HydrophobicContact CG2-CD2 3.89Å; F153-L171 HydrophobicContact CE2-CD2 4.34Å; F153-L171 HydrophobicContact CZ-CD2 4.18Å; I157-L171 HydrophobicContact CG2-CB 4.24Å; I157-L171 HydrophobicContact CG2-CD2 3.82Å; E159-L171 CarbonylContact O-C 3.5Å; E159-L171 VanDerWaalsContact O-CA 3.32Å; E159-L171 WeakPolarHBondContact O-CA 3.49Å; F160-L171 HydrophobicContact CB-CB 4.2Å; F160-L171 HydrophobicContact CB-CD2 4.17Å; F160-L171 HydrophobicContact CB-CG 3.81Å; F160-L171 HydrophobicContact CD1-CD2 4.38Å; F169-L171 HydrophobicContact CD1-CD1 3.72Å; F169-L171 HydrophobicContact CD1-CG 4.11Å; F169-L171 HydrophobicContact CE1-CD1 3.74Å; F169-L171 HydrophobicContact CE1-CD2 3.94Å; F169-L171 HydrophobicContact CE1-CG 3.66Å; L171-I178 CarbonylContact O-C 3.22Å; L171-I178 VanDerWaalsContact O-CA 3.31Å; L171-I178 WeakPolarHBondContact O-CA 3.49Å; L171-L179 HydrophobicContact CB-CB 4.38Å; L171-L179 HydrophobicContact CD1-CB 4.16Å; L171-L179 PolarHBondContact N-O 3.26Å; L171-L179 PolarHBondContact O-N 3.47Å; L171-Y181 HydrophobicContact CD1-CD2 3.4Å; L171-Y181 VanDerWaalsContact CD1-CD2 3.4Å; L171-Y181 HydrophobicContact CD1-CE2 3.44Å; L171-Y181 VanDerWaalsContact CD1-CE2 3.44Å; L171-Y181 HydrophobicContact CD1-CG 4.41Å
172T98.7Very high97.8Very high0 Ų025.9 Ų25.90%016%0.156CC..EExtended strand (participates in β ladder)trans-98.6142.1170.261.10000111.7I157 N158 E159 S177 A201 L204 V215I157-T172 WeakPolarHBondContact CA-O 3.32Å; N158-T172 PolarHBondContact N-O 2.95Å; E159-T172 PolarHBondContact N-OG1 3.47Å; E159-T172 VanDerWaalsContact N-OG1 3.08Å; E159-T172 PolarHBondContact O-N 2.83Å; E159-T172 PolarHBondContact O-OG1 2.79Å; T172-S177 WeakPolarHBondContact CA-O 3.47Å; T172-A201 WeakPolarHBondContact CB-O 3.48Å; T172-A201 HydrophobicContact CG2-CB 4.04Å; T172-A201 PolarHBondContact OG1-O 2.89Å; T172-L204 HydrophobicContact CG2-CB 3.52Å; T172-L204 HydrophobicContact CG2-CD1 3.64Å; T172-L204 HydrophobicContact CG2-CG 4.22Å; T172-V215 HydrophobicContact CG2-CG1 4.05Å; T172-V215 HydrophobicContact CG2-CG2 4.41Å
173T98.6Very high97.7Very high4 Ų426.7 Ų26.73%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-111158.1-176.276.90000113.4E156 I157 L175 G176 S177 L179 A201E156-T173 CarbonylContact O-C 3.5Å; E156-T173 WeakPolarHBondContact O-CA 3.47Å; I157-T173 HydrophobicContact CD1-CG2 4Å; T173-L175 PolarHBondContact O-N 3.38Å; T173-L175 VanDerWaalsContact O-N 3.13Å; T173-L175 PolarHBondContact OG1-N 2.96Å; T173-G176 PolarHBondContact O-N 2.89Å; T173-S177 PolarHBondContact N-O 2.79Å; T173-S177 PolarHBondContact OG1-N 2.82Å; T173-S177 VanDerWaalsContact OG1-N 3.09Å; T173-S177 PolarHBondContact OG1-O 3.47Å; T173-L179 HydrophobicContact CG2-CD1 3.96Å; T173-L179 HydrophobicContact CG2-CD2 4.3Å; T173-L179 HydrophobicContact CG2-CG 3.81Å; T173-A201 PolarHBondContact O-N 2.78Å
174G97.9Very high97.6Very high12 Ų1233 Ų3312%0.12420%0.198CC..THydrogen-bonded Turntrans-60.4-15.8170.200000114.2E156 N158 N200E156-G174 PolarHBondContact O-N 3.38Å; N158-G174 PolarHBondContact ND2-N 2.94Å; G174-N200 WeakPolarHBondContact O-CA 3.16Å; G174-N200 WeakPolarHBondContact O-CB 3.32Å; G174-N200 PolarHBondContact O-N 3.48Å
175L97.8Very high97.6Very high108 Ų10830.8 Ų30.857%0.56518%0.184SC*.THydrogen-bonded Turntrans-92.13.6175.2-58.2178.4000113.2T173 S177 Q195T173-L175 PolarHBondContact O-N 3.38Å; T173-L175 VanDerWaalsContact O-N 3.13Å; T173-L175 PolarHBondContact OG1-N 2.96Å; L175-S177 VanDerWaalsContact C-N 3.34Å; L175-Q195 PolarHBondContact O-NE2 3.23Å
176G98.1Very high97.6Very high0 Ų029.8 Ų29.80%019%0.185CC..SBendtrans81.811178.900000114.8T173 A196 H197 V199T173-G176 PolarHBondContact O-N 2.89Å; G176-A196 PolarHBondContact O-N 3.21Å; G176-H197 WeakPolarHBondContact CA-O 3.45Å; G176-H197 PolarHBondContact O-N 3.42Å; G176-V199 WeakPolarHBondContact CA-O 3.47Å; G176-V199 PolarHBondContact N-O 2.91Å
177S98.5Very high97.6Very high11 Ų1133.6 Ų33.68%0.07720%0.198CC..EExtended strand (participates in β ladder)trans-91.6154.6178.6-40.30000111.7T172 T173 L175 I194 Q195T172-S177 WeakPolarHBondContact CA-O 3.47Å; T173-S177 PolarHBondContact N-O 2.79Å; T173-S177 PolarHBondContact OG1-N 2.82Å; T173-S177 VanDerWaalsContact OG1-N 3.09Å; T173-S177 PolarHBondContact OG1-O 3.47Å; L175-S177 VanDerWaalsContact C-N 3.34Å; S177-I194 CarbonylContact C-O 3.5Å; S177-I194 WeakPolarHBondContact CA-O 3.37Å; S177-I194 WeakPolarHBondContact CB-O 3.34Å; S177-Q195 PolarHBondContact OG-OE1 3.32Å
178I98.5Very high97.7Very high0 Ų027.5 Ų27.50%017%0.17CC..EExtended strand (participates in β ladder)trans-105.8123.9165-55.8156.2000107.6L170 L171 S193 I194 A196 L204 F213 V215 W225L170-I178 HydrophobicContact CB-CG2 4.11Å; L170-I178 HydrophobicContact CD1-CG2 4.18Å; L170-I178 HydrophobicContact CD2-CG2 4.22Å; L170-I178 HydrophobicContact CG-CG2 4.39Å; L171-I178 CarbonylContact O-C 3.22Å; L171-I178 VanDerWaalsContact O-CA 3.31Å; L171-I178 WeakPolarHBondContact O-CA 3.49Å; I178-S193 WeakPolarHBondContact O-CA 3.32Å; I178-I194 HydrophobicContact CB-CB 4.5Å; I178-I194 PolarHBondContact N-O 2.98Å; I178-I194 PolarHBondContact O-N 2.66Å; I178-A196 HydrophobicContact CD1-CB 3.5Å; I178-A196 HydrophobicContact CG1-CB 3.77Å; I178-L204 HydrophobicContact CG2-CD1 4.34Å; I178-F213 HydrophobicContact CD1-CE2 3.56Å; I178-F213 HydrophobicContact CD1-CZ 3.96Å; I178-V215 HydrophobicContact CD1-CG2 3.83Å; I178-V215 HydrophobicContact CG1-CG2 4.07Å; I178-W225 HydrophobicContact CD1-CD2 4.47Å
179L98.6Very high97.7Very high8 Ų832.3 Ų32.34%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-94128.3170.9-52.1-178.1000108.9F153 I157 L170 L171 T173 Y181 S193F153-L179 HydrophobicContact CD1-CD1 3.96Å; F153-L179 HydrophobicContact CE1-CD1 3.52Å; I157-L179 HydrophobicContact CD1-CD1 4.48Å; L170-L179 WeakPolarHBondContact CA-O 3.35Å; L171-L179 HydrophobicContact CB-CB 4.38Å; L171-L179 HydrophobicContact CD1-CB 4.16Å; L171-L179 PolarHBondContact N-O 3.26Å; L171-L179 PolarHBondContact O-N 3.47Å; T173-L179 HydrophobicContact CG2-CD1 3.96Å; T173-L179 HydrophobicContact CG2-CD2 4.3Å; T173-L179 HydrophobicContact CG2-CG 3.81Å; L179-Y181 HydrophobicContact CB-CD2 4.38Å; L179-Y181 HydrophobicContact CB-CE2 3.88Å; L179-S193 WeakPolarHBondContact CD2-OG 3.23Å
180V98.5Very high97.6Very high7 Ų738 Ų384%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-105.7124-179.3-175.10000108.9L170 R190 E191 A192 I194 F230L170-V180 HydrophobicContact CD2-CB 3.97Å; L170-V180 HydrophobicContact CD2-CG1 3.84Å; L170-V180 HydrophobicContact CD2-CG2 3.75Å; V180-R190 CarbonylContact O-C 3.48Å; V180-R190 WeakPolarHBondContact O-CA 3.47Å; V180-E191 HydrophobicContact CG1-CB 4.49Å; V180-E191 PolarHBondContact O-N 2.73Å; V180-A192 HydrophobicContact CB-CB 4.06Å; V180-A192 HydrophobicContact CG2-CB 4.04Å; V180-A192 PolarHBondContact N-O 2.72Å; V180-A192 PolarHBondContact O-N 3.16Å; V180-I194 HydrophobicContact CG2-CD1 3.98Å; V180-I194 HydrophobicContact CG2-CG1 4.47Å; V180-F230 HydrophobicContact CB-CZ 4.4Å; V180-F230 HydrophobicContact CG1-CE1 4Å; V180-F230 HydrophobicContact CG1-CE2 3.96Å; V180-F230 HydrophobicContact CG1-CZ 3.46Å; V180-F230 VanDerWaalsContact CG1-CZ 3.46Å; V180-F230 HydrophobicContact CG2-CD1 3.95Å; V180-F230 HydrophobicContact CG2-CE1 3.72Å; V180-F230 HydrophobicContact CG2-CE2 4.48Å; V180-F230 HydrophobicContact CG2-CG 4.45Å; V180-F230 HydrophobicContact CG2-CZ 4Å
181Y98.6Very high97.5Very high2 Ų243.5 Ų43.51%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-116144.2174.3-74.5-111.2000110.9E151 F153 A168 F169 L171 L179 M188 K189 R190E151-Y181 PolarHBondContact OE1-OH 2.85Å; E151-Y181 VanDerWaalsContact OE2-CE1 3.28Å; E151-Y181 WeakPolarHBondContact OE2-CE1 3.35Å; E151-Y181 PolarHBondContact OE2-OH 2.76Å; F153-Y181 WeakPolarHBondContact CZ-OH 3.25Å; A168-Y181 WeakPolarHBondContact CA-O 3.34Å; F169-Y181 PolarHBondContact N-O 3.09Å; F169-Y181 PolarHBondContact O-N 3.24Å; L171-Y181 HydrophobicContact CD1-CD2 3.4Å; L171-Y181 VanDerWaalsContact CD1-CD2 3.4Å; L171-Y181 HydrophobicContact CD1-CE2 3.44Å; L171-Y181 VanDerWaalsContact CD1-CE2 3.44Å; L171-Y181 HydrophobicContact CD1-CG 4.41Å; L179-Y181 HydrophobicContact CB-CD2 4.38Å; L179-Y181 HydrophobicContact CB-CE2 3.88Å; Y181-M188 HydrophobicContact CD1-CB 4.25Å; Y181-K189 CarbonylContact C-O 3.53Å; Y181-K189 WeakPolarHBondContact CA-O 3.38Å; Y181-R190 HydrophobicContact CD1-CB 4.31Å; Y181-R190 HydrophobicContact CD2-CG 4.44Å; Y181-R190 HydrophobicContact CE1-CB 3.89Å; Y181-R190 HydrophobicContact CE2-CB 4.11Å; Y181-R190 HydrophobicContact CE2-CG 3.93Å; Y181-R190 PolarHBondContact OH-NE 3.09Å; Y181-R190 PolarHBondContact OH-NH2 2.97Å
182S97.2Very high97.4Very high43 Ų4345.2 Ų45.230%0.30125%0.249SC..EExtended strand (participates in β ladder)trans-121.1166.8170.9890000111.2M188 K189 E191S182-M188 WeakPolarHBondContact O-CA 3.48Å; S182-K189 PolarHBondContact N-O 2.82Å; S182-K189 PolarHBondContact O-N 3.08Å; S182-E191 PolarHBondContact OG-OE1 2.87Å
183G95.8Very high97.4Very high40 Ų4048.8 Ų48.841%0.41227%0.274SS..SBendtrans91.4-168.5175.800000113.5
184K95.2Very high97.4Very high147 Ų14750.2 Ų50.264%0.63928%0.281SS*.  trans-105.1142.5-175.8-66.1-177.9-178.3177.80110.6G186 D187 M188K184-G186 PolarHBondContact O-N 2.94Å; K184-D187 CarbonylContact O-C 3.53Å; K184-D187 PolarHBondContact O-N 3.15Å; K184-M188 WeakPolarHBondContact O-CG 3.45Å; K184-M188 PolarHBondContact O-N 3.41Å; K184-M188 VanDerWaalsContact O-N 3.1Å
185P97.2Very high97.4Very high12 Ų1254.9 Ų54.98%0.07830%0.3CS..THydrogen-bonded Turntrans-49.6124.9174.7-30.136.4000112.6Y126 W138 V148 W162 M188Y126-P185 HydrophobicContact CD1-CB 3.73Å; Y126-P185 HydrophobicContact CD1-CG 3.94Å; Y126-P185 HydrophobicContact CD2-CB 4.46Å; Y126-P185 HydrophobicContact CD2-CG 3.84Å; Y126-P185 HydrophobicContact CE1-CB 3.89Å; Y126-P185 HydrophobicContact CE1-CG 4.3Å; Y126-P185 HydrophobicContact CE2-CG 4.21Å; Y126-P185 HydrophobicContact CG-CB 4.02Å; Y126-P185 HydrophobicContact CG-CG 3.67Å; W138-P185 HydrophobicContact CB-CB 3.79Å; W138-P185 HydrophobicContact CB-CG 4.38Å; W138-P185 HydrophobicContact CG-CB 4.19Å; W138-P185 HydrophobicContact CG-CG 4.39Å; V148-P185 HydrophobicContact CG2-CB 3.72Å; W162-P185 HydrophobicContact CZ2-CG 4.2Å; P185-M188 HydrophobicContact CB-CE 4Å; P185-M188 HydrophobicContact CB-SD 4.49Å; P185-M188 HydrophobicContact CG-CE 3.93Å; P185-M188 HydrophobicContact CG-SD 3.88Å
186G95.9Very high97.3Very high48 Ų4850.8 Ų50.850%0.49528%0.281SS..THydrogen-bonded Turntrans111.2-25-169.200000113.5K184K184-G186 PolarHBondContact O-N 2.94Å
187D96.1Very high97.3Very high107 Ų10751.1 Ų51.157%0.57228%0.283SS*.SBendtrans-143.328173.5-170.532.9000110.8K184 K189K184-D187 CarbonylContact O-C 3.53Å; K184-D187 PolarHBondContact O-N 3.15Å; D187-K189 WeakPolarHBondContact OD1-CE 3.31Å; D187-K189 IonicContact OD1-NZ 3.4Å; D187-K189 PolarHBondContact OD1-NZ 2.99Å; D187-K189 IonicContact OD2-NZ 2.85Å
188M97Very high97.3Very high11 Ų1155.6 Ų55.65%0.05431%0.312CS..  trans-71.1140.9174.9-72-179.6-58.500110.4W138 Q149 Y181 S182 K184 P185W138-M188 HydrophobicContact CB-CE 4.48Å; W138-M188 HydrophobicContact CD2-CE 3.35Å; W138-M188 HydrophobicContact CE3-CE 4.01Å; W138-M188 HydrophobicContact CG-CE 3.57Å; W138-M188 HydrophobicContact CH2-CE 4.28Å; W138-M188 HydrophobicContact CZ2-CE 3.66Å; W138-M188 HydrophobicContact CZ3-CE 4.43Å; W138-M188 VanDerWaalsContact NE1-CE 3.29Å; Q149-M188 PolarHBondContact NE2-O 3.02Å; Q149-M188 VanDerWaalsContact NE2-O 3.11Å; Q149-M188 VanDerWaalsContact OE1-N 3.09Å; Y181-M188 HydrophobicContact CD1-CB 4.25Å; S182-M188 WeakPolarHBondContact O-CA 3.48Å; K184-M188 WeakPolarHBondContact O-CG 3.45Å; K184-M188 PolarHBondContact O-N 3.41Å; K184-M188 VanDerWaalsContact O-N 3.1Å; P185-M188 HydrophobicContact CB-CE 4Å; P185-M188 HydrophobicContact CB-SD 4.49Å; P185-M188 HydrophobicContact CG-CE 3.93Å; P185-M188 HydrophobicContact CG-SD 3.88Å
189K96.9Very high97.3Very high116 Ų11658.7 Ų58.750%0.50433%0.331SS..EExtended strand (participates in β ladder)trans-125.7142.1-178.6-65172.8-170.3164.10109.8Y181 S182 D187 E191Y181-K189 CarbonylContact C-O 3.53Å; Y181-K189 WeakPolarHBondContact CA-O 3.38Å; S182-K189 PolarHBondContact N-O 2.82Å; S182-K189 PolarHBondContact O-N 3.08Å; D187-K189 WeakPolarHBondContact OD1-CE 3.31Å; D187-K189 IonicContact OD1-NZ 3.4Å; D187-K189 PolarHBondContact OD1-NZ 2.99Å; D187-K189 IonicContact OD2-NZ 2.85Å; K189-E191 PolarHBondContact O-N 2.78Å
190R97.5Very high97.3Very high122 Ų12260.2 Ų60.246%0.4634%0.339SS..EExtended strand (participates in β ladder)trans-74.9115.1172.4-169.4-173.3-61.1-179.52.6108.5E151 V180 Y181E151-R190 IonicContact OE1-CZ 2.87Å; E151-R190 IonicContact OE1-NH2 3.04Å; E151-R190 PolarHBondContact OE1-NH2 2.59Å; V180-R190 CarbonylContact O-C 3.48Å; V180-R190 WeakPolarHBondContact O-CA 3.47Å; Y181-R190 HydrophobicContact CD1-CB 4.31Å; Y181-R190 HydrophobicContact CD2-CG 4.44Å; Y181-R190 HydrophobicContact CE1-CB 3.89Å; Y181-R190 HydrophobicContact CE2-CB 4.11Å; Y181-R190 HydrophobicContact CE2-CG 3.93Å; Y181-R190 PolarHBondContact OH-NE 3.09Å; Y181-R190 PolarHBondContact OH-NH2 2.97Å
191E96.7Very high97.3Very high115 Ų11559.9 Ų59.954%0.53734%0.337SS..EExtended strand (participates in β ladder)trans-89.2-37.6179.5-61.6-5715700111.9V180 S182 K189V180-E191 HydrophobicContact CG1-CB 4.49Å; V180-E191 PolarHBondContact O-N 2.73Å; S182-E191 PolarHBondContact OG-OE1 2.87Å; K189-E191 PolarHBondContact O-N 2.78Å
192A96.9Very high97.2Very high36 Ų3660.9 Ų60.930%0.29834%0.342SS..EExtended strand (participates in β ladder)trans-150.7161.1-176.100000112.8V180 I194V180-A192 HydrophobicContact CB-CB 4.06Å; V180-A192 HydrophobicContact CG2-CB 4.04Å; V180-A192 PolarHBondContact N-O 2.72Å; V180-A192 PolarHBondContact O-N 3.16Å; A192-I194 HydrophobicContact CB-CG1 4.24Å
193S97.7Very high97.3Very high75 Ų7559.1 Ų59.152%0.52433%0.329SS..EExtended strand (participates in β ladder)trans-133.6116167.3177.90000107.6I178 L179I178-S193 WeakPolarHBondContact O-CA 3.32Å; L179-S193 WeakPolarHBondContact CD2-OG 3.23Å
194I97.8Very high97.4Very high34 Ų3457.7 Ų57.717%0.17431%0.312CS..EExtended strand (participates in β ladder)trans-116.1125.1-169.2-54.3-179.4000108.4S177 I178 V180 A192 A196 W225 F230S177-I194 CarbonylContact C-O 3.5Å; S177-I194 WeakPolarHBondContact CA-O 3.37Å; S177-I194 WeakPolarHBondContact CB-O 3.34Å; I178-I194 HydrophobicContact CB-CB 4.5Å; I178-I194 PolarHBondContact N-O 2.98Å; I178-I194 PolarHBondContact O-N 2.66Å; V180-I194 HydrophobicContact CG2-CD1 3.98Å; V180-I194 HydrophobicContact CG2-CG1 4.47Å; A192-I194 HydrophobicContact CB-CG1 4.24Å; I194-A196 PolarHBondContact O-N 2.82Å; I194-A196 VanDerWaalsContact O-N 3.16Å; I194-W225 HydrophobicContact CG2-CH2 4.16Å; I194-W225 HydrophobicContact CG2-CZ3 3.95Å; I194-F230 HydrophobicContact CD1-CB 3.29Å; I194-F230 HydrophobicContact CD1-CD1 3.95Å; I194-F230 HydrophobicContact CD1-CG 3.72Å
195Q98Very high97.6Very high111 Ų11153.9 Ų53.952%0.51930%0.297SS..EExtended strand (participates in β ladder)trans-77.5102.8174.3-165.367.118.500109.4L175 S177 H197L175-Q195 PolarHBondContact O-NE2 3.23Å; S177-Q195 PolarHBondContact OG-OE1 3.32Å; Q195-H197 PolarHBondContact NE2-O 3.08Å
196A97.4Very high97.7Very high21 Ų2154.1 Ų54.117%0.17430%0.297CS..  trans-89.6-41.7-177.500000112.3G176 I178 I194 W225G176-A196 PolarHBondContact O-N 3.21Å; I178-A196 HydrophobicContact CD1-CB 3.5Å; I178-A196 HydrophobicContact CG1-CB 3.77Å; I194-A196 PolarHBondContact O-N 2.82Å; I194-A196 VanDerWaalsContact O-N 3.16Å; A196-W225 HydrophobicContact CB-CH2 4.16Å; A196-W225 HydrophobicContact CB-CZ2 3.54Å
197H98.3Very high97.8Very high8 Ų852 Ų524%0.03727%0.274CS..  trans-135.1153.6-178.2-72.6-91.8000110.5G176 Q195 V199 S217 D219 S223G176-H197 WeakPolarHBondContact CA-O 3.45Å; G176-H197 PolarHBondContact O-N 3.42Å; Q195-H197 PolarHBondContact NE2-O 3.08Å; H197-V199 PolarHBondContact O-N 2.86Å; H197-S217 WeakPolarHBondContact CB-OG 3.46Å; H197-S217 VanDerWaalsContact ND1-CB 3.33Å; H197-S217 WeakPolarHBondContact ND1-CB 3.38Å; H197-D219 IonicContact CE1-OD1 2.66Å; H197-D219 IonicContact CE1-OD2 3.98Å; H197-D219 IonicContact CG-OD2 3.05Å; H197-D219 IonicContact ND1-OD1 3.23Å; H197-D219 PolarHBondContact ND1-OD1 3Å; H197-D219 IonicContact ND1-OD2 3.74Å; H197-D219 PolarHBondContact ND1-OD2 3.01Å; H197-S223 WeakPolarHBondContact NE2-CB 3.32Å; H197-S223 PolarHBondContact NE2-OG 3.21Å
198P97.5Very high97.8Very high104 Ų10449.8 Ų49.868%0.67527%0.266SS*.SBendtrans-70.2-15.3178.229-36.6000114D219P198-D219 VanDerWaalsContact CD-OD2 3.32Å; P198-D219 WeakPolarHBondContact CD-OD2 3.36Å; P198-D219 HydrophobicContact CG-CB 4.48Å
199V97.8Very high97.6Very high65 Ų6553.1 Ų53.139%0.39429%0.287SS..SBendtrans-140.9177.3-177.8-62.50000109.8G176 H197 A201 S217 A218 D219G176-V199 WeakPolarHBondContact CA-O 3.47Å; G176-V199 PolarHBondContact N-O 2.91Å; H197-V199 PolarHBondContact O-N 2.86Å; V199-A201 PolarHBondContact O-N 3.37Å; V199-S217 PolarHBondContact O-OG 3.34Å; V199-A218 HydrophobicContact CG2-CB 3.97Å; V199-D219 HydrophobicContact CG2-CB 3.75Å
200N98.5Very high97.6Very high41 Ų4148 Ų4822%0.21927%0.267CS..  trans-35114.8-175.6-172.2-24000114.8N158 G174 M202 S217 A218N158-N200 VanDerWaalsContact CG-OD1 3.29Å; N158-N200 PolarHBondContact ND2-OD1 2.88Å; N158-N200 PolarHBondContact OD1-OD1 3.1Å; G174-N200 WeakPolarHBondContact O-CA 3.16Å; G174-N200 WeakPolarHBondContact O-CB 3.32Å; G174-N200 PolarHBondContact O-N 3.48Å; N200-M202 HydrophobicContact CB-CG 4.46Å; N200-M202 PolarHBondContact O-N 3.5Å; N200-M202 WeakPolarHBondContact OD1-CG 3.43Å; N200-S217 CarbonylContact O-C 3.52Å; N200-S217 VanDerWaalsContact O-CA 3.29Å; N200-S217 WeakPolarHBondContact O-CA 3.31Å; N200-S217 PolarHBondContact O-OG 2.72Å; N200-A218 HydrophobicContact CB-CB 4.05Å; N200-A218 PolarHBondContact O-N 3.18Å
201A98.6Very high97.5Very high0 Ų047.6 Ų47.60%027%0.27CS..EExtended strand (participates in β ladder)trans-85.8104.7169.500000108.7N158 T172 T173 V199 V215N158-A201 WeakPolarHBondContact CB-O 3.47Å; N158-A201 PolarHBondContact ND2-O 3.13Å; T172-A201 WeakPolarHBondContact CB-O 3.48Å; T172-A201 HydrophobicContact CG2-CB 4.04Å; T172-A201 PolarHBondContact OG1-O 2.89Å; T173-A201 PolarHBondContact O-N 2.78Å; V199-A201 PolarHBondContact O-N 3.37Å; A201-V215 HydrophobicContact CB-CG1 3.71Å
202M98.3Very high97.6Very high22 Ų2243.9 Ų43.911%0.10825%0.253CS..EExtended strand (participates in β ladder)trans-93.2-30.1-164.9-60.4-173.3-68.700113.9N158 N200 G216 S217 A218 P242 V243 R244N158-M202 WeakPolarHBondContact CB-O 3.49Å; N200-M202 HydrophobicContact CB-CG 4.46Å; N200-M202 PolarHBondContact O-N 3.5Å; N200-M202 WeakPolarHBondContact OD1-CG 3.43Å; M202-G216 PolarHBondContact N-O 2.72Å; M202-S217 VanDerWaalsContact CE-C 3.5Å; M202-S217 WeakPolarHBondContact CE-O 3.4Å; M202-A218 HydrophobicContact CE-CB 4.27Å; M202-A218 HydrophobicContact SD-CB 4.22Å; M202-P242 HydrophobicContact CE-CB 3.27Å; M202-P242 HydrophobicContact SD-CB 4.03Å; M202-V243 VanDerWaalsContact CE-C 3.42Å; M202-V243 WeakPolarHBondContact CE-O 3.3Å; M202-R244 PolarHBondContact SD-NH1 2.83Å
203C98.4Very high97.7Very high6 Ų642.1 Ų42.14%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-141150.8-179.856.50000111.2V215 G216 V243C203-V215 CarbonylContact O-C 3.58Å; C203-V215 VanDerWaalsContact O-CA 3.32Å; C203-V215 WeakPolarHBondContact O-CA 3.4Å; C203-G216 PolarHBondContact N-O 2.66Å; C203-G216 PolarHBondContact O-N 3.04Å; C203-V243 PolarHBondContact SG-O 2.87Å; C203-V243 VanDerWaalsContact SG-O 3.32Å
204L98.6Very high97.7Very high10 Ų1038.6 Ų38.65%0.05221%0.214CC..EExtended strand (participates in β ladder)trans-145.4138.4-179.1174.6149.3000109.4E159 A161 L170 T172 I178 F206 F213 A214 V215E159-L204 HydrophobicContact CB-CB 4.24Å; E159-L204 HydrophobicContact CG-CB 4.11Å; E159-L204 WeakPolarHBondContact CG-O 3.19Å; A161-L204 HydrophobicContact CB-CD2 3.82Å; L170-L204 HydrophobicContact CB-CD1 3.68Å; L170-L204 HydrophobicContact CB-CD2 4.18Å; L170-L204 HydrophobicContact CD1-CD1 4.01Å; T172-L204 HydrophobicContact CG2-CB 3.52Å; T172-L204 HydrophobicContact CG2-CD1 3.64Å; T172-L204 HydrophobicContact CG2-CG 4.22Å; I178-L204 HydrophobicContact CG2-CD1 4.34Å; L204-F206 HydrophobicContact CD2-CD2 4.36Å; L204-F206 HydrophobicContact CD2-CE2 4.35Å; L204-F213 HydrophobicContact CD1-CD2 4.31Å; L204-A214 VanDerWaalsContact CA-O 3.28Å; L204-A214 WeakPolarHBondContact CA-O 3.37Å; L204-V215 HydrophobicContact CB-CG2 4.43Å; L204-V215 HydrophobicContact CD1-CG2 3.99Å; L204-V215 HydrophobicContact CG-CG2 4.32Å
205Q98.5Very high97.8Very high68 Ų6837 Ų3732%0.31821%0.205SC..EExtended strand (participates in β ladder)trans-146.8137.3171.6-166.7175.9-46.800111F213 A214 L246 G247 F248Q205-F213 CarbonylContact O-C 3.59Å; Q205-F213 VanDerWaalsContact O-CA 3.25Å; Q205-F213 WeakPolarHBondContact O-CA 3.35Å; Q205-F213 WeakPolarHBondContact O-CB 3.49Å; Q205-A214 PolarHBondContact N-O 3.19Å; Q205-A214 PolarHBondContact O-N 3.11Å; Q205-L246 PolarHBondContact OE1-O 2.69Å; Q205-G247 VanDerWaalsContact OE1-CA 3.3Å; Q205-F248 HydrophobicContact CB-CD2 4.43Å; Q205-F248 HydrophobicContact CG-CD2 4.44Å; Q205-F248 VanDerWaalsContact O-CE2 3.31Å; Q205-F248 WeakPolarHBondContact O-CE2 3.38Å
206F98.6Very high97.8Very high17 Ų1731.7 Ų31.78%0.07518%0.181CC..EExtended strand (participates in β ladder)trans-76.6143.8166.9-79.8-84.5000111.5A161 W162 N163 L170 L204 F213 A227A161-F206 HydrophobicContact CB-CD2 4.09Å; A161-F206 HydrophobicContact CB-CE2 4.46Å; W162-F206 WeakPolarHBondContact O-CD2 3.28Å; N163-F206 HydrophobicContact CB-CD1 3.79Å; N163-F206 HydrophobicContact CB-CD2 4.23Å; N163-F206 HydrophobicContact CB-CE1 3.45Å; N163-F206 VanDerWaalsContact CB-CE1 3.45Å; N163-F206 HydrophobicContact CB-CE2 3.92Å; N163-F206 HydrophobicContact CB-CG 4.16Å; N163-F206 HydrophobicContact CB-CZ 3.5Å; N163-F206 VanDerWaalsContact CB-CZ 3.5Å; L170-F206 HydrophobicContact CB-CE2 4.25Å; L170-F206 HydrophobicContact CB-CZ 4.46Å; L170-F206 HydrophobicContact CD1-CE1 4.05Å; L170-F206 HydrophobicContact CD1-CE2 3.72Å; L170-F206 HydrophobicContact CD1-CZ 3.24Å; L170-F206 HydrophobicContact CG-CE2 3.75Å; L170-F206 HydrophobicContact CG-CZ 3.49Å; L170-F206 VanDerWaalsContact CG-CZ 3.49Å; L204-F206 HydrophobicContact CD2-CD2 4.36Å; L204-F206 HydrophobicContact CD2-CE2 4.35Å; F206-F213 HydrophobicContact CD1-CB 3.65Å; F206-F213 HydrophobicContact CD1-CG 4.48Å; F206-F213 HydrophobicContact CE1-CB 3.87Å; F206-F213 AromaticContact CE1-CD1 3.96Å; F206-F213 HydrophobicContact CE1-CD1 3.96Å; F206-F213 HydrophobicContact CE1-CG 4.22Å; F206-F213 HydrophobicContact CG-CB 4.03Å; F206-F213 HydrophobicContact CZ-CB 4.44Å; F206-A227 HydrophobicContact CE1-CB 4.04Å
207S98.1Very high97.9Very high2 Ų230.7 Ų30.71%0.01417%0.172CC..  trans-61.7152.5163.767.60000110.2T209 G210 Q212S207-T209 PolarHBondContact O-N 3.21Å; S207-T209 VanDerWaalsContact O-N 3.09Å; S207-T209 PolarHBondContact OG-OG1 2.68Å; S207-G210 PolarHBondContact O-N 3.24Å; S207-G210 PolarHBondContact OG-N 2.83Å; S207-Q212 WeakPolarHBondContact CB-O 3.28Å; S207-Q212 PolarHBondContact N-O 2.96Å; S207-Q212 PolarHBondContact OG-N 2.76Å; S207-Q212 PolarHBondContact OG-O 2.8Å
208P96.7Very high97.9Very high62 Ų6232.1 Ų32.140%0.40319%0.186SC..THydrogen-bonded Turntrans-58.9-27.1-179.7-26.635.7000114S249 Y250P208-S249 WeakPolarHBondContact CG-O 3.17Å; P208-Y250 WeakPolarHBondContact CG-O 3.35Å
209T93.8Very high97.9Very high80 Ų8029 Ų2949%0.49116%0.164SC..THydrogen-bonded Turntrans-80.3-17177.769.20000113.6S207 H211S207-T209 PolarHBondContact O-N 3.21Å; S207-T209 VanDerWaalsContact O-N 3.09Å; S207-T209 PolarHBondContact OG-OG1 2.68Å; T209-H211 VanDerWaalsContact C-N 3.25Å; T209-H211 WeakPolarHBondContact CB-ND1 3.48Å; T209-H211 PolarHBondContact O-N 3Å; T209-H211 PolarHBondContact OG1-ND1 3.32Å
210G95.9Very high98Very high10 Ų1026.4 Ų26.410%0.10315%0.149CC..SBendtrans81.7-15.7-178.300000115.9P164 S207 Q212 A227P164-G210 VanDerWaalsContact CD-CA 3.46Å; S207-G210 PolarHBondContact O-N 3.24Å; S207-G210 PolarHBondContact OG-N 2.83Å; G210-Q212 PolarHBondContact O-N 2.91Å; G210-A227 WeakPolarHBondContact O-CB 3.35Å
211H95.9Very high98Very high113 Ų11326.8 Ų26.852%0.52315%0.15SC..SBendtrans-69.5-17.2-178.9-54.3113.5000114.5T209 A227T209-H211 VanDerWaalsContact C-N 3.25Å; T209-H211 WeakPolarHBondContact CB-ND1 3.48Å; T209-H211 PolarHBondContact O-N 3Å; T209-H211 PolarHBondContact OG1-ND1 3.32Å; H211-A227 VanDerWaalsContact C-CB 3.49Å; H211-A227 WeakPolarHBondContact O-CB 3.38Å; H211-A227 PolarHBondContact O-N 2.93Å
212Q97.9Very high98Very high36 Ų3626.9 Ų26.917%0.16815%0.151CC..EExtended strand (participates in β ladder)trans-137.3154.6179.2-64.8177.410.700110.5S207 G210 W225 L233S207-Q212 WeakPolarHBondContact CB-O 3.28Å; S207-Q212 PolarHBondContact N-O 2.96Å; S207-Q212 PolarHBondContact OG-N 2.76Å; S207-Q212 PolarHBondContact OG-O 2.8Å; G210-Q212 PolarHBondContact O-N 2.91Å; Q212-W225 WeakPolarHBondContact CA-O 3.22Å; Q212-W225 WeakPolarHBondContact CB-O 3.25Å; Q212-L233 HydrophobicContact CG-CD1 4.17Å
213F98.6Very high98Very high0 Ų025.9 Ų25.90%015%0.146CC..EExtended strand (participates in β ladder)trans-135.5162165.165.5-88.5000109.8L170 I178 L204 Q205 F206 V215 W225 A227 F230L170-F213 HydrophobicContact CD1-CD1 3.87Å; L170-F213 HydrophobicContact CD1-CD2 4.04Å; L170-F213 HydrophobicContact CD1-CE1 3.93Å; L170-F213 HydrophobicContact CD1-CE2 4.11Å; L170-F213 HydrophobicContact CD1-CG 3.93Å; L170-F213 HydrophobicContact CD1-CZ 4.04Å; I178-F213 HydrophobicContact CD1-CE2 3.56Å; I178-F213 HydrophobicContact CD1-CZ 3.96Å; L204-F213 HydrophobicContact CD1-CD2 4.31Å; Q205-F213 CarbonylContact O-C 3.59Å; Q205-F213 VanDerWaalsContact O-CA 3.25Å; Q205-F213 WeakPolarHBondContact O-CA 3.35Å; Q205-F213 WeakPolarHBondContact O-CB 3.49Å; F206-F213 HydrophobicContact CD1-CB 3.65Å; F206-F213 HydrophobicContact CD1-CG 4.48Å; F206-F213 HydrophobicContact CE1-CB 3.87Å; F206-F213 AromaticContact CE1-CD1 3.96Å; F206-F213 HydrophobicContact CE1-CD1 3.96Å; F206-F213 HydrophobicContact CE1-CG 4.22Å; F206-F213 HydrophobicContact CG-CB 4.03Å; F206-F213 HydrophobicContact CZ-CB 4.44Å; F213-V215 HydrophobicContact CD2-CG2 3.96Å; F213-V215 HydrophobicContact CE2-CG2 3.9Å; F213-W225 HydrophobicContact CD1-CB 3.96Å; F213-W225 HydrophobicContact CD2-CB 3.99Å; F213-W225 HydrophobicContact CD2-CG 4.22Å; F213-W225 HydrophobicContact CE1-CB 3.46Å; F213-W225 VanDerWaalsContact CE1-CB 3.46Å; F213-W225 HydrophobicContact CE1-CG 4.26Å; F213-W225 HydrophobicContact CE2-CB 3.47Å; F213-W225 VanDerWaalsContact CE2-CB 3.47Å; F213-W225 AromaticContact CE2-CD1 3.55Å; F213-W225 HydrophobicContact CE2-CD2 4.2Å; F213-W225 AromaticContact CE2-CG 3.45Å; F213-W225 HydrophobicContact CE2-CG 3.45Å; F213-W225 VanDerWaalsContact CE2-CG 3.45Å; F213-W225 HydrophobicContact CG-CB 4.2Å; F213-W225 HydrophobicContact CZ-CB 3.2Å; F213-W225 HydrophobicContact CZ-CD2 4.07Å; F213-W225 HydrophobicContact CZ-CE3 4.47Å; F213-W225 AromaticContact CZ-CG 3.5Å; F213-W225 HydrophobicContact CZ-CG 3.5Å; F213-W225 VanDerWaalsContact CZ-CG 3.5Å; F213-W225 PolarHBondContact N-O 2.79Å; F213-W225 PolarHBondContact O-N 2.8Å; F213-A227 HydrophobicContact CD1-CB 4Å; F213-F230 AromaticContact CE1-CD1 3.72Å; F213-F230 HydrophobicContact CE1-CD1 3.72Å; F213-F230 AromaticContact CE1-CE1 3.97Å; F213-F230 HydrophobicContact CE1-CE1 3.97Å; F213-F230 AromaticContact CZ-CD1 3.97Å; F213-F230 HydrophobicContact CZ-CD1 3.97Å; F213-F230 HydrophobicContact CZ-CE1 4.46Å
214A98.9Very high98Very high0 Ų025.7 Ų25.70%015%0.145CC..EExtended strand (participates in β ladder)trans-124.5152.1174.200000110.9L204 Q205 V222 S223 I224 L246 F248 I255L204-A214 VanDerWaalsContact CA-O 3.28Å; L204-A214 WeakPolarHBondContact CA-O 3.37Å; Q205-A214 PolarHBondContact N-O 3.19Å; Q205-A214 PolarHBondContact O-N 3.11Å; A214-V222 HydrophobicContact CB-CG1 4.44Å; A214-S223 CarbonylContact C-O 3.57Å; A214-S223 WeakPolarHBondContact CA-O 3.33Å; A214-S223 WeakPolarHBondContact CB-O 3.46Å; A214-I224 HydrophobicContact CB-CG1 4.36Å; A214-L246 HydrophobicContact CB-CD1 4Å; A214-F248 HydrophobicContact CB-CE2 3.61Å; A214-F248 HydrophobicContact CB-CZ 3.66Å; A214-I255 HydrophobicContact CB-CD1 3.26Å
215V98.9Very high98Very high0 Ų026 Ų260%015%0.145CC..EExtended strand (participates in β ladder)trans-129.6133.9176.6-179.20000109.2T172 I178 A201 C203 L204 F213 V222 S223 L246T172-V215 HydrophobicContact CG2-CG1 4.05Å; T172-V215 HydrophobicContact CG2-CG2 4.41Å; I178-V215 HydrophobicContact CD1-CG2 3.83Å; I178-V215 HydrophobicContact CG1-CG2 4.07Å; A201-V215 HydrophobicContact CB-CG1 3.71Å; C203-V215 CarbonylContact O-C 3.58Å; C203-V215 VanDerWaalsContact O-CA 3.32Å; C203-V215 WeakPolarHBondContact O-CA 3.4Å; L204-V215 HydrophobicContact CB-CG2 4.43Å; L204-V215 HydrophobicContact CD1-CG2 3.99Å; L204-V215 HydrophobicContact CG-CG2 4.32Å; F213-V215 HydrophobicContact CD2-CG2 3.96Å; F213-V215 HydrophobicContact CE2-CG2 3.9Å; V215-V222 CarbonylContact O-C 3.49Å; V215-V222 WeakPolarHBondContact O-CA 3.37Å; V215-S223 PolarHBondContact N-O 3.01Å; V215-S223 PolarHBondContact O-N 2.82Å; V215-S223 PolarHBondContact O-OG 3.38Å; V215-L246 VanDerWaalsContact C-CD1 3.48Å
216G98.8Very high98Very high0 Ų024.6 Ų24.60%014%0.14CC..EExtended strand (participates in β ladder)trans-113.4139.1175.400000109.7M202 C203 L246M202-G216 PolarHBondContact N-O 2.72Å; C203-G216 PolarHBondContact N-O 2.66Å; C203-G216 PolarHBondContact O-N 3.04Å; G216-L246 VanDerWaalsContact N-CD1 3.27Å
217S98.8Very high97.9Very high0 Ų024.1 Ų24.10%014%0.139CC..EExtended strand (participates in β ladder)trans-133.1164-167.6160.50000113.2H197 V199 N200 M202 D219 A220 L221 V243H197-S217 WeakPolarHBondContact CB-OG 3.46Å; H197-S217 VanDerWaalsContact ND1-CB 3.33Å; H197-S217 WeakPolarHBondContact ND1-CB 3.38Å; V199-S217 PolarHBondContact O-OG 3.34Å; N200-S217 CarbonylContact O-C 3.52Å; N200-S217 VanDerWaalsContact O-CA 3.29Å; N200-S217 WeakPolarHBondContact O-CA 3.31Å; N200-S217 PolarHBondContact O-OG 2.72Å; M202-S217 VanDerWaalsContact CE-C 3.5Å; M202-S217 WeakPolarHBondContact CE-O 3.4Å; S217-D219 WeakPolarHBondContact CB-OD1 3.29Å; S217-D219 PolarHBondContact O-N 2.86Å; S217-D219 PolarHBondContact OG-N 2.9Å; S217-D219 PolarHBondContact OG-OD1 2.86Å; S217-D219 PolarHBondContact OG-OD2 3.19Å; S217-A220 PolarHBondContact O-N 3.18Å; S217-L221 PolarHBondContact N-O 3.12Å; S217-V243 PolarHBondContact O-N 2.96Å
218A98.7Very high97.8Very high38 Ų3829.2 Ų29.231%0.31417%0.167SC..THydrogen-bonded Turntrans-67.5-10.8174.500000113.9V199 N200 M202 A220 P242V199-A218 HydrophobicContact CG2-CB 3.97Å; N200-A218 HydrophobicContact CB-CB 4.05Å; N200-A218 PolarHBondContact O-N 3.18Å; M202-A218 HydrophobicContact CE-CB 4.27Å; M202-A218 HydrophobicContact SD-CB 4.22Å; A218-A220 PolarHBondContact O-N 2.76Å; A218-P242 HydrophobicContact CB-CB 4.45Å
219D98.5Very high97.8Very high40 Ų4033.2 Ų33.221%0.21418%0.18CC..THydrogen-bonded Turntrans-79.78.1169.162.92.8000113.9H197 P198 V199 S217 L221H197-D219 IonicContact CE1-OD1 2.66Å; H197-D219 IonicContact CE1-OD2 3.98Å; H197-D219 IonicContact CG-OD2 3.05Å; H197-D219 IonicContact ND1-OD1 3.23Å; H197-D219 PolarHBondContact ND1-OD1 3Å; H197-D219 IonicContact ND1-OD2 3.74Å; H197-D219 PolarHBondContact ND1-OD2 3.01Å; P198-D219 VanDerWaalsContact CD-OD2 3.32Å; P198-D219 WeakPolarHBondContact CD-OD2 3.36Å; P198-D219 HydrophobicContact CG-CB 4.48Å; V199-D219 HydrophobicContact CG2-CB 3.75Å; S217-D219 WeakPolarHBondContact CB-OD1 3.29Å; S217-D219 PolarHBondContact O-N 2.86Å; S217-D219 PolarHBondContact OG-N 2.9Å; S217-D219 PolarHBondContact OG-OD1 2.86Å; S217-D219 PolarHBondContact OG-OD2 3.19Å; D219-L221 HydrophobicContact CB-CG 4.45Å; D219-L221 PolarHBondContact O-N 3.3Å; D219-L221 VanDerWaalsContact OD1-CB 3.32Å; D219-L221 WeakPolarHBondContact OD1-CB 3.37Å; D219-L221 PolarHBondContact OD1-N 2.89Å
220A98.6Very high97.9Very high10 Ų1031.5 Ų31.58%0.08317%0.166CC..SBendtrans64.716.1-176.900000114.7S217 A218 L239 W241S217-A220 PolarHBondContact O-N 3.18Å; A218-A220 PolarHBondContact O-N 2.76Å; A220-L239 HydrophobicContact CB-CB 4.43Å; A220-L239 WeakPolarHBondContact CB-O 3.45Å; A220-W241 WeakPolarHBondContact CA-O 3.17Å; A220-W241 VanDerWaalsContact CB-O 3.25Å; A220-W241 WeakPolarHBondContact CB-O 3.31Å
221L98.7Very high97.9Very high48 Ų4834.6 Ų34.625%0.25118%0.183SC..  trans-102.2146.9178.4-56.8179.3000111.7S217 D219 T235 V243S217-L221 PolarHBondContact N-O 3.12Å; D219-L221 HydrophobicContact CB-CG 4.45Å; D219-L221 PolarHBondContact O-N 3.3Å; D219-L221 VanDerWaalsContact OD1-CB 3.32Å; D219-L221 WeakPolarHBondContact OD1-CB 3.37Å; D219-L221 PolarHBondContact OD1-N 2.89Å; L221-T235 HydrophobicContact CB-CG2 4.01Å; L221-T235 HydrophobicContact CD1-CG2 3.93Å; L221-T235 HydrophobicContact CD2-CG2 4.24Å; L221-T235 HydrophobicContact CG-CG2 4.29Å; L221-V243 WeakPolarHBondContact O-CG2 3.34Å
222V98.9Very high98.1Very high3 Ų332 Ų322%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-110.7119.3166.3-175.90000108.5A214 V215 T235 L236 L239 V243 L246 I255 A257A214-V222 HydrophobicContact CB-CG1 4.44Å; V215-V222 CarbonylContact O-C 3.49Å; V215-V222 WeakPolarHBondContact O-CA 3.37Å; V222-T235 CarbonylContact O-C 3.41Å; V222-T235 WeakPolarHBondContact O-CA 3.38Å; V222-L236 HydrophobicContact CB-CB 4.12Å; V222-L236 HydrophobicContact CB-CD1 4.19Å; V222-L236 HydrophobicContact CB-CG 4.32Å; V222-L236 HydrophobicContact CG1-CD1 4.21Å; V222-L236 PolarHBondContact N-O 3.02Å; V222-L236 VanDerWaalsContact N-O 3.11Å; V222-L236 PolarHBondContact O-N 2.92Å; V222-L239 HydrophobicContact CG2-CD1 4.47Å; V222-V243 HydrophobicContact CG2-CG1 3.99Å; V222-V243 HydrophobicContact CG2-CG2 3.95Å; V222-L246 HydrophobicContact CB-CD2 4.45Å; V222-L246 HydrophobicContact CG1-CD1 4.09Å; V222-L246 HydrophobicContact CG1-CD2 3.72Å; V222-L246 HydrophobicContact CG2-CD2 3.86Å; V222-I255 HydrophobicContact CG1-CD1 3.89Å; V222-A257 HydrophobicContact CG2-CB 3.67Å
223S98.7Very high98.1Very high1 Ų133.3 Ų33.31%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-102.2140173.856.90000110.6H197 A214 V215 W225 R234H197-S223 WeakPolarHBondContact NE2-CB 3.32Å; H197-S223 PolarHBondContact NE2-OG 3.21Å; A214-S223 CarbonylContact C-O 3.57Å; A214-S223 WeakPolarHBondContact CA-O 3.33Å; A214-S223 WeakPolarHBondContact CB-O 3.46Å; V215-S223 PolarHBondContact N-O 3.01Å; V215-S223 PolarHBondContact O-N 2.82Å; V215-S223 PolarHBondContact O-OG 3.38Å; S223-W225 PolarHBondContact OG-NE1 3.05Å; S223-R234 CarbonylContact C-O 3.58Å; S223-R234 WeakPolarHBondContact CA-O 3.44Å
224I98.7Very high98Very high1 Ų137.8 Ų37.81%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-115.5130.6175.6-58.6167.9000107.4A214 L233 R234 L236 I255 V269A214-I224 HydrophobicContact CB-CG1 4.36Å; I224-L233 WeakPolarHBondContact O-CA 3.5Å; I224-L233 WeakPolarHBondContact O-CB 3.23Å; I224-L233 PolarHBondContact O-N 3.22Å; I224-R234 HydrophobicContact CB-CB 4.23Å; I224-R234 HydrophobicContact CD1-CB 4.32Å; I224-R234 PolarHBondContact N-O 2.53Å; I224-R234 PolarHBondContact O-N 2.85Å; I224-L236 HydrophobicContact CD1-CD1 4.15Å; I224-L236 HydrophobicContact CD1-CG 4.48Å; I224-I255 HydrophobicContact CD1-CG2 4.46Å; I224-V269 HydrophobicContact CD1-CG1 4.29Å; I224-V269 HydrophobicContact CG2-CG1 4.26Å
225W98.7Very high98Very high16 Ų1641.5 Ų41.56%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-124.1149.6-169.9-63.277.8000111.3I178 I194 A196 Q212 F213 S223 F230 V231 C232I178-W225 HydrophobicContact CD1-CD2 4.47Å; I194-W225 HydrophobicContact CG2-CH2 4.16Å; I194-W225 HydrophobicContact CG2-CZ3 3.95Å; A196-W225 HydrophobicContact CB-CH2 4.16Å; A196-W225 HydrophobicContact CB-CZ2 3.54Å; Q212-W225 WeakPolarHBondContact CA-O 3.22Å; Q212-W225 WeakPolarHBondContact CB-O 3.25Å; F213-W225 HydrophobicContact CD1-CB 3.96Å; F213-W225 HydrophobicContact CD2-CB 3.99Å; F213-W225 HydrophobicContact CD2-CG 4.22Å; F213-W225 HydrophobicContact CE1-CB 3.46Å; F213-W225 VanDerWaalsContact CE1-CB 3.46Å; F213-W225 HydrophobicContact CE1-CG 4.26Å; F213-W225 HydrophobicContact CE2-CB 3.47Å; F213-W225 VanDerWaalsContact CE2-CB 3.47Å; F213-W225 AromaticContact CE2-CD1 3.55Å; F213-W225 HydrophobicContact CE2-CD2 4.2Å; F213-W225 AromaticContact CE2-CG 3.45Å; F213-W225 HydrophobicContact CE2-CG 3.45Å; F213-W225 VanDerWaalsContact CE2-CG 3.45Å; F213-W225 HydrophobicContact CG-CB 4.2Å; F213-W225 HydrophobicContact CZ-CB 3.2Å; F213-W225 HydrophobicContact CZ-CD2 4.07Å; F213-W225 HydrophobicContact CZ-CE3 4.47Å; F213-W225 AromaticContact CZ-CG 3.5Å; F213-W225 HydrophobicContact CZ-CG 3.5Å; F213-W225 VanDerWaalsContact CZ-CG 3.5Å; F213-W225 PolarHBondContact N-O 2.79Å; F213-W225 PolarHBondContact O-N 2.8Å; S223-W225 PolarHBondContact OG-NE1 3.05Å; W225-F230 WeakPolarHBondContact CZ3-O 3.19Å; W225-V231 WeakPolarHBondContact CA-O 3.45Å; W225-C232 HydrophobicContact CD2-CB 4.01Å; W225-C232 HydrophobicContact CE3-CB 3.93Å; W225-C232 HydrophobicContact CH2-CB 3.73Å; W225-C232 HydrophobicContact CZ2-CB 3.8Å; W225-C232 HydrophobicContact CZ3-CB 3.8Å
226D98.2Very high98Very high39 Ų3941.8 Ų41.821%0.20923%0.225CC..EExtended strand (participates in β ladder)trans-71.6130.7162.1-168.5-79.1000109.1D228 E229 F230 V231 L233D226-D228 PolarHBondContact OD1-N 2.92Å; D226-E229 PolarHBondContact OD1-N 3.16Å; D226-F230 WeakPolarHBondContact O-CA 3.3Å; D226-F230 PolarHBondContact O-N 3.36Å; D226-F230 VanDerWaalsContact O-N 3.1Å; D226-V231 HydrophobicContact CB-CG2 3.8Å; D226-V231 PolarHBondContact N-O 3.06Å; D226-L233 HydrophobicContact CB-CD1 4.1Å; D226-L233 HydrophobicContact CB-CD2 4.2Å; D226-L233 HydrophobicContact CB-CG 4.16Å
227A96.9Very high98Very high8 Ų846.2 Ų46.27%0.06626%0.256CS..THydrogen-bonded Turntrans-83.5-16.9-174.800000114.3F206 G210 H211 F213 F230F206-A227 HydrophobicContact CE1-CB 4.04Å; G210-A227 WeakPolarHBondContact O-CB 3.35Å; H211-A227 VanDerWaalsContact C-CB 3.49Å; H211-A227 WeakPolarHBondContact O-CB 3.38Å; H211-A227 PolarHBondContact O-N 2.93Å; F213-A227 HydrophobicContact CD1-CB 4Å; A227-F230 VanDerWaalsContact O-CZ 3.27Å; A227-F230 WeakPolarHBondContact O-CZ 3.38Å
228D95Very high97.9Very high109 Ų10949.2 Ų49.258%0.58327%0.268SS*.THydrogen-bonded Turntrans-94.2-47.4-177.5-62.4-46.6000110D226D226-D228 PolarHBondContact OD1-N 2.92Å
229E95.8Very high97.9Very high146 Ų14648 Ų4868%0.68226%0.256SS*.THydrogen-bonded Turntrans-92.5-10.6-178.2-61.2-63.7154.700112.9D226 V231D226-E229 PolarHBondContact OD1-N 3.16Å; E229-V231 VanDerWaalsContact C-N 3.26Å; E229-V231 HydrophobicContact CB-CG1 4.35Å; E229-V231 HydrophobicContact CB-CG2 4.15Å; E229-V231 PolarHBondContact O-N 2.8Å
230F96Very high97.9Very high43 Ų4353.9 Ų53.919%0.18928%0.282CS..  trans51.740.6-176.5-61.3-82.2000114.3L170 V180 I194 F213 W225 D226 A227L170-F230 HydrophobicContact CD1-CE1 4.22Å; L170-F230 HydrophobicContact CD2-CE1 3.82Å; L170-F230 HydrophobicContact CD2-CZ 4.35Å; V180-F230 HydrophobicContact CB-CZ 4.4Å; V180-F230 HydrophobicContact CG1-CE1 4Å; V180-F230 HydrophobicContact CG1-CE2 3.96Å; V180-F230 HydrophobicContact CG1-CZ 3.46Å; V180-F230 VanDerWaalsContact CG1-CZ 3.46Å; V180-F230 HydrophobicContact CG2-CD1 3.95Å; V180-F230 HydrophobicContact CG2-CE1 3.72Å; V180-F230 HydrophobicContact CG2-CE2 4.48Å; V180-F230 HydrophobicContact CG2-CG 4.45Å; V180-F230 HydrophobicContact CG2-CZ 4Å; I194-F230 HydrophobicContact CD1-CB 3.29Å; I194-F230 HydrophobicContact CD1-CD1 3.95Å; I194-F230 HydrophobicContact CD1-CG 3.72Å; F213-F230 AromaticContact CE1-CD1 3.72Å; F213-F230 HydrophobicContact CE1-CD1 3.72Å; F213-F230 AromaticContact CE1-CE1 3.97Å; F213-F230 HydrophobicContact CE1-CE1 3.97Å; F213-F230 AromaticContact CZ-CD1 3.97Å; F213-F230 HydrophobicContact CZ-CD1 3.97Å; F213-F230 HydrophobicContact CZ-CE1 4.46Å; W225-F230 WeakPolarHBondContact CZ3-O 3.19Å; D226-F230 WeakPolarHBondContact O-CA 3.3Å; D226-F230 PolarHBondContact O-N 3.36Å; D226-F230 VanDerWaalsContact O-N 3.1Å; A227-F230 VanDerWaalsContact O-CZ 3.27Å; A227-F230 WeakPolarHBondContact O-CZ 3.38Å
231V97.6Very high97.9Very high76 Ų7659.9 Ų59.946%0.46130%0.302SS..  trans-103.5140.6175.3-64.60000111.6W225 D226 E229 L233W225-V231 WeakPolarHBondContact CA-O 3.45Å; D226-V231 HydrophobicContact CB-CG2 3.8Å; D226-V231 PolarHBondContact N-O 3.06Å; E229-V231 VanDerWaalsContact C-N 3.26Å; E229-V231 HydrophobicContact CB-CG1 4.35Å; E229-V231 HydrophobicContact CB-CG2 4.15Å; E229-V231 PolarHBondContact O-N 2.8Å; V231-L233 HydrophobicContact CG2-CD2 4.31Å; V231-L233 PolarHBondContact O-N 2.63Å
232C98.3Very high97.9Very high58 Ų5858.8 Ų58.839%0.39230%0.298SS..EExtended strand (participates in β ladder)trans-72.1116.1177-174.70000110W225 R234W225-C232 HydrophobicContact CD2-CB 4.01Å; W225-C232 HydrophobicContact CE3-CB 3.93Å; W225-C232 HydrophobicContact CH2-CB 3.73Å; W225-C232 HydrophobicContact CZ2-CB 3.8Å; W225-C232 HydrophobicContact CZ3-CB 3.8Å; C232-R234 PolarHBondContact SG-O 2.92Å; C232-R234 VanDerWaalsContact SG-O 3.37Å
233L98.4Very high97.9Very high63 Ų6358.6 Ų58.633%0.3330%0.297SS..EExtended strand (participates in β ladder)trans-87.1-31.6-179.7-61.6176.1000112.2Q212 I224 D226 V231Q212-L233 HydrophobicContact CG-CD1 4.17Å; I224-L233 WeakPolarHBondContact O-CA 3.5Å; I224-L233 WeakPolarHBondContact O-CB 3.23Å; I224-L233 PolarHBondContact O-N 3.22Å; D226-L233 HydrophobicContact CB-CD1 4.1Å; D226-L233 HydrophobicContact CB-CD2 4.2Å; D226-L233 HydrophobicContact CB-CG 4.16Å; V231-L233 HydrophobicContact CG2-CD2 4.31Å; V231-L233 PolarHBondContact O-N 2.63Å
234R98.1Very high97.9Very high94 Ų9463 Ų6336%0.35531%0.314SS..EExtended strand (participates in β ladder)trans-156.8152.9-177.6-70.8-59.9-163-68-7.8112.2S223 I224 C232 Q270 T271S223-R234 CarbonylContact C-O 3.58Å; S223-R234 WeakPolarHBondContact CA-O 3.44Å; I224-R234 HydrophobicContact CB-CB 4.23Å; I224-R234 HydrophobicContact CD1-CB 4.32Å; I224-R234 PolarHBondContact N-O 2.53Å; I224-R234 PolarHBondContact O-N 2.85Å; C232-R234 PolarHBondContact SG-O 2.92Å; C232-R234 VanDerWaalsContact SG-O 3.37Å; R234-Q270 PolarHBondContact NH2-O 2.71Å; R234-T271 PolarHBondContact NE-O 2.96Å; R234-T271 PolarHBondContact NH2-O 3.06Å; R234-T271 VanDerWaalsContact NH2-O 3.1Å
235T98.4Very high97.9Very high78 Ų7863.9 Ų63.948%0.47932%0.319SS..EExtended strand (participates in β ladder)trans-126.8128.8164.8-54.10000108.9L221 V222L221-T235 HydrophobicContact CB-CG2 4.01Å; L221-T235 HydrophobicContact CD1-CG2 3.93Å; L221-T235 HydrophobicContact CD2-CG2 4.24Å; L221-T235 HydrophobicContact CG-CG2 4.29Å; V222-T235 CarbonylContact O-C 3.41Å; V222-T235 WeakPolarHBondContact O-CA 3.38Å
236L98.6Very high97.8Very high7 Ų763.3 Ų63.34%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-104.8119178.3-42.5176.9000108.4V222 I224 I255 G272V222-L236 HydrophobicContact CB-CB 4.12Å; V222-L236 HydrophobicContact CB-CD1 4.19Å; V222-L236 HydrophobicContact CB-CG 4.32Å; V222-L236 HydrophobicContact CG1-CD1 4.21Å; V222-L236 PolarHBondContact N-O 3.02Å; V222-L236 VanDerWaalsContact N-O 3.11Å; V222-L236 PolarHBondContact O-N 2.92Å; I224-L236 HydrophobicContact CD1-CD1 4.15Å; I224-L236 HydrophobicContact CD1-CG 4.48Å; L236-I255 HydrophobicContact CD1-CG2 3.87Å; L236-G272 WeakPolarHBondContact CD2-O 3.39Å
237S98Very high97.9Very high92 Ų9261.5 Ų61.564%0.64331%0.307SS*.  trans-117.467.2-177.461.20000110.4
238R98Very high98Very high64 Ų6461.3 Ų61.324%0.24231%0.305CS..  trans-121.9-2.4-177.7-67.7-170.5-66-82.91.6113.9D265 G272R238-D265 IonicContact CZ-OD1 2.91Å; R238-D265 IonicContact CZ-OD2 3.19Å; R238-D265 VanDerWaalsContact CZ-OD2 3.23Å; R238-D265 VanDerWaalsContact NE-CG 3.25Å; R238-D265 IonicContact NE-OD1 3.08Å; R238-D265 PolarHBondContact NE-OD1 3.42Å; R238-D265 IonicContact NE-OD2 2.76Å; R238-D265 PolarHBondContact NE-OD2 2.84Å; R238-D265 IonicContact NH2-OD1 3.41Å; R238-D265 IonicContact NH2-OD2 2.75Å; R238-D265 PolarHBondContact NH2-OD2 3.43Å; R238-G272 PolarHBondContact NH1-O 3.38Å
239L98.5Very high98.1Very high12 Ų1256.1 Ų56.16%0.06328%0.277CS..  trans-108150176.6-61.9173.5000107.7A220 V222 V243 A257 D261 F263 D265A220-L239 HydrophobicContact CB-CB 4.43Å; A220-L239 WeakPolarHBondContact CB-O 3.45Å; V222-L239 HydrophobicContact CG2-CD1 4.47Å; L239-V243 HydrophobicContact CD1-CG1 4.31Å; L239-V243 HydrophobicContact CD1-CG2 3.79Å; L239-A257 HydrophobicContact CD1-CB 3.96Å; L239-D261 WeakPolarHBondContact CA-OD2 3.43Å; L239-D261 WeakPolarHBondContact CB-OD2 3.42Å; L239-D261 HydrophobicContact CD2-CB 4.13Å; L239-F263 HydrophobicContact CD2-CD2 4.35Å; L239-F263 HydrophobicContact CD2-CE2 3.61Å; L239-F263 HydrophobicContact CD2-CZ 3.96Å; L239-D265 HydrophobicContact CD2-CB 4.26Å
240E98.4Very high98.2Very high164 Ų16453.7 Ų53.777%0.76626%0.263SS*.SBendtrans-108.2-12.2178-64.6-78.1168.800111D261E240-D261 PolarHBondContact N-OD1 2.94Å; E240-D261 PolarHBondContact N-OD2 2.8Å
241W98.6Very high98.3Very high135 Ų13553.5 Ų53.551%0.51126%0.263SS..SBendtrans-118.4159-179.5-69.491.3000112.8A220 V243 S259 E260 D261A220-W241 WeakPolarHBondContact CA-O 3.17Å; A220-W241 VanDerWaalsContact CB-O 3.25Å; A220-W241 WeakPolarHBondContact CB-O 3.31Å; W241-V243 PolarHBondContact O-N 3.3Å; W241-S259 WeakPolarHBondContact O-CB 3.21Å; W241-E260 HydrophobicContact CB-CB 3.79Å; W241-E260 HydrophobicContact CD2-CB 4.16Å; W241-E260 HydrophobicContact CE3-CB 4.39Å; W241-E260 HydrophobicContact CG-CB 3.88Å; W241-D261 PolarHBondContact N-OD2 3.48Å; W241-D261 VanDerWaalsContact N-OD2 3.07Å
242P98.5Very high98.3Very high25 Ų2550.5 Ų50.516%0.16225%0.248CC..  trans-44.8127.4176.6-33.739.3000113.5M202 A218 R244 S259M202-P242 HydrophobicContact CE-CB 3.27Å; M202-P242 HydrophobicContact SD-CB 4.03Å; A218-P242 HydrophobicContact CB-CB 4.45Å; P242-R244 WeakPolarHBondContact O-CG 3.41Å; P242-R244 PolarHBondContact O-N 3.04Å; P242-R244 VanDerWaalsContact O-N 3.13Å; P242-S259 WeakPolarHBondContact O-CA 3.45Å; P242-S259 WeakPolarHBondContact O-CB 3.35Å
243V98.8Very high98.2Very high0 Ų050.8 Ų50.80%024%0.243CC..  trans-74.1102.8179.7-171.10000110.9M202 C203 S217 L221 V222 L239 W241 L246 A257 A258M202-V243 VanDerWaalsContact CE-C 3.42Å; M202-V243 WeakPolarHBondContact CE-O 3.3Å; C203-V243 PolarHBondContact SG-O 2.87Å; C203-V243 VanDerWaalsContact SG-O 3.32Å; S217-V243 PolarHBondContact O-N 2.96Å; L221-V243 WeakPolarHBondContact O-CG2 3.34Å; V222-V243 HydrophobicContact CG2-CG1 3.99Å; V222-V243 HydrophobicContact CG2-CG2 3.95Å; L239-V243 HydrophobicContact CD1-CG1 4.31Å; L239-V243 HydrophobicContact CD1-CG2 3.79Å; W241-V243 PolarHBondContact O-N 3.3Å; V243-L246 HydrophobicContact CG1-CD2 3.82Å; V243-L246 HydrophobicContact CG1-CG 4.13Å; V243-A257 HydrophobicContact CG1-CB 4.33Å; V243-A258 CarbonylContact C-O 3.13Å
244R98Very high98.2Very high93 Ų9347.8 Ų47.835%0.35123%0.227SC..  trans-81-32.4-172.3-61.9-58.3-175-177.60.7113.3M202 P242 A258 E260 F286M202-R244 PolarHBondContact SD-NH1 2.83Å; P242-R244 WeakPolarHBondContact O-CG 3.41Å; P242-R244 PolarHBondContact O-N 3.04Å; P242-R244 VanDerWaalsContact O-N 3.13Å; R244-A258 PolarHBondContact N-O 2.95Å; R244-E260 IonicContact CZ-OE1 3.38Å; R244-E260 IonicContact NE-OE1 3.44Å; R244-E260 PolarHBondContact NE-OE1 3.06Å; R244-E260 IonicContact NH2-OE1 2.72Å; R244-E260 PolarHBondContact NH2-OE1 2.83Å; R244-F286 HydrophobicContact CB-CD1 3.99Å; R244-F286 HydrophobicContact CG-CD1 3.68Å; R244-F286 HydrophobicContact CG-CE1 3.86Å
245T98.4Very high98.3Very high19 Ų1943.3 Ų43.312%0.11721%0.21CC..EExtended strand (participates in β ladder)trans-154.7150.9-178.1-175.50000111.2A258 F286 L288T245-A258 HydrophobicContact CG2-CB 3.73Å; T245-A258 PolarHBondContact N-O 2.85Å; T245-A258 PolarHBondContact O-N 3.16Å; T245-F286 WeakPolarHBondContact CB-O 3.29Å; T245-L288 HydrophobicContact CG2-CB 4.39Å; T245-L288 HydrophobicContact CG2-CD2 3.84Å; T245-L288 HydrophobicContact CG2-CG 3.72Å
246L98.5Very high98.3Very high5 Ų539.6 Ų39.63%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-130.6160.4179.7-70.6175.4000110.1Q205 A214 V215 G216 V222 V243 I255 A256 A257 L288Q205-L246 PolarHBondContact OE1-O 2.69Å; A214-L246 HydrophobicContact CB-CD1 4Å; V215-L246 VanDerWaalsContact C-CD1 3.48Å; G216-L246 VanDerWaalsContact N-CD1 3.27Å; V222-L246 HydrophobicContact CB-CD2 4.45Å; V222-L246 HydrophobicContact CG1-CD1 4.09Å; V222-L246 HydrophobicContact CG1-CD2 3.72Å; V222-L246 HydrophobicContact CG2-CD2 3.86Å; V243-L246 HydrophobicContact CG1-CD2 3.82Å; V243-L246 HydrophobicContact CG1-CG 4.13Å; L246-I255 HydrophobicContact CD2-CD1 4.17Å; L246-I255 HydrophobicContact CD2-CG1 4.36Å; L246-A256 CarbonylContact C-O 3.56Å; L246-A256 VanDerWaalsContact CA-O 3.29Å; L246-A256 WeakPolarHBondContact CA-O 3.3Å; L246-A257 HydrophobicContact CD2-CB 3.41Å; L246-A257 VanDerWaalsContact CD2-CB 3.41Å; L246-L288 WeakPolarHBondContact O-CD1 3.4Å
247G98.4Very high98.3Very high0 Ų039.3 Ų39.30%019%0.186CC..EExtended strand (participates in β ladder)trans-162.313517000000113.3Q205 I255 A256 W290Q205-G247 VanDerWaalsContact OE1-CA 3.3Å; G247-I255 CarbonylContact O-C 3.53Å; G247-I255 WeakPolarHBondContact O-CA 3.39Å; G247-A256 PolarHBondContact N-O 2.87Å; G247-A256 PolarHBondContact O-N 3.06Å; G247-W290 PolarHBondContact O-NE1 2.86Å
248F98.8Very high98.3Very high5 Ų534.9 Ų34.92%0.02216%0.155CC..EExtended strand (participates in β ladder)trans-86.1142.7170.4-76.3-90000111.6Q205 A214 L254 I255 V269 W290Q205-F248 HydrophobicContact CB-CD2 4.43Å; Q205-F248 HydrophobicContact CG-CD2 4.44Å; Q205-F248 VanDerWaalsContact O-CE2 3.31Å; Q205-F248 WeakPolarHBondContact O-CE2 3.38Å; A214-F248 HydrophobicContact CB-CE2 3.61Å; A214-F248 HydrophobicContact CB-CZ 3.66Å; F248-L254 CarbonylContact C-O 3.59Å; F248-L254 WeakPolarHBondContact CA-O 3.49Å; F248-I255 HydrophobicContact CE1-CD1 4.39Å; F248-I255 HydrophobicContact CE2-CD1 4.18Å; F248-I255 HydrophobicContact CZ-CD1 4.02Å; F248-V269 HydrophobicContact CD1-CG2 3.86Å; F248-V269 HydrophobicContact CE1-CG1 4.03Å; F248-V269 HydrophobicContact CE1-CG2 3.62Å; F248-W290 WeakPolarHBondContact O-CB 3.41Å
249S98.6Very high98.3Very high0 Ų031.9 Ų31.90%014%0.143CC..  trans-63.4157.6164.760.20000110.9P208 D251 G252 K253 L254P208-S249 WeakPolarHBondContact CG-O 3.17Å; S249-D251 WeakPolarHBondContact CB-OD1 3.37Å; S249-D251 PolarHBondContact O-N 2.96Å; S249-D251 PolarHBondContact OG-OD1 3.38Å; S249-G252 WeakPolarHBondContact O-CA 3.43Å; S249-G252 PolarHBondContact O-N 3.1Å; S249-K253 PolarHBondContact OG-N 3.08Å; S249-L254 PolarHBondContact N-O 2.97Å; S249-L254 WeakPolarHBondContact OG-CB 3.41Å; S249-L254 PolarHBondContact OG-N 3.3Å
250Y97.8Very high98.2Very high94 Ų9434 Ų3437%0.36915%0.153SC..THydrogen-bonded Turntrans-55.8-27.4-176.373.3-85.8000115.3P208 P292 R293 Q294 Y295P208-Y250 WeakPolarHBondContact CG-O 3.35Å; Y250-P292 WeakPolarHBondContact CB-O 3.38Å; Y250-R293 VanDerWaalsContact CD1-C 3.48Å; Y250-Q294 VanDerWaalsContact CD1-N 3.34Å; Y250-Y295 HydrophobicContact CD1-CD1 4.31Å; Y250-Y295 HydrophobicContact CD1-CE1 4.36Å; Y250-Y295 AromaticContact CE1-CD1 3.86Å; Y250-Y295 HydrophobicContact CE1-CD1 3.86Å; Y250-Y295 AromaticContact CE1-CE1 3.78Å; Y250-Y295 HydrophobicContact CE1-CE1 3.78Å; Y250-Y295 HydrophobicContact CE1-CG 4.43Å
251D96.8Very high98.1Very high39 Ų3926.9 Ų26.921%0.20912%0.12CC..THydrogen-bonded Turntrans-96.63.6178.965.1-10.8000113.1S249 K253 Y295S249-D251 WeakPolarHBondContact CB-OD1 3.37Å; S249-D251 PolarHBondContact O-N 2.96Å; S249-D251 PolarHBondContact OG-OD1 3.38Å; D251-K253 HydrophobicContact CB-CG 4.33Å; D251-K253 PolarHBondContact O-N 2.94Å; D251-K253 PolarHBondContact OD1-N 2.93Å; D251-K253 WeakPolarHBondContact OD2-CD 3.48Å; D251-K253 WeakPolarHBondContact OD2-CE 3.18Å; D251-K253 WeakPolarHBondContact OD2-CG 3.28Å; D251-Y295 PolarHBondContact OD2-OH 2.75Å
252G97.7Very high98Very high13 Ų1325.5 Ų25.513%0.13412%0.12CC..SBendtrans70.27.9179.400000115S249 V269S249-G252 WeakPolarHBondContact O-CA 3.43Å; S249-G252 PolarHBondContact O-N 3.1Å; G252-V269 WeakPolarHBondContact O-CG2 3.24Å
253K97.3Very high98Very high64 Ų6425.9 Ų25.928%0.27812%0.119SC..SBendtrans-85.2-26.5-175-62.1-171.5-169.3-175.50113.9E5 S249 D251 H268 V269E5-K253 WeakPolarHBondContact OE2-CD 3.44Å; E5-K253 WeakPolarHBondContact OE2-CE 3.4Å; E5-K253 IonicContact OE2-NZ 3.5Å; E5-K253 PolarHBondContact OE2-NZ 2.9Å; S249-K253 PolarHBondContact OG-N 3.08Å; D251-K253 HydrophobicContact CB-CG 4.33Å; D251-K253 PolarHBondContact O-N 2.94Å; D251-K253 PolarHBondContact OD1-N 2.93Å; D251-K253 WeakPolarHBondContact OD2-CD 3.48Å; D251-K253 WeakPolarHBondContact OD2-CE 3.18Å; D251-K253 WeakPolarHBondContact OD2-CG 3.28Å; K253-H268 PolarHBondContact O-CD2 3.5Å; K253-H268 VanDerWaalsContact O-CD2 3.27Å; K253-V269 PolarHBondContact O-N 2.87Å
254L98.5Very high98Very high0 Ų025.9 Ų25.90%012%0.119CC..EExtended strand (participates in β ladder)trans-117.9148.9-177.6-56.9168.9000110.3L9 F13 F248 S249 I266 G267 V275 W290 Y295L9-L254 HydrophobicContact CD1-CD2 3.95Å; F13-L254 HydrophobicContact CE2-CD1 3.45Å; F13-L254 VanDerWaalsContact CE2-CD1 3.45Å; F13-L254 HydrophobicContact CZ-CD1 3.58Å; F248-L254 CarbonylContact C-O 3.59Å; F248-L254 WeakPolarHBondContact CA-O 3.49Å; S249-L254 PolarHBondContact N-O 2.97Å; S249-L254 WeakPolarHBondContact OG-CB 3.41Å; S249-L254 PolarHBondContact OG-N 3.3Å; L254-I266 HydrophobicContact CB-CG2 4.24Å; L254-I266 HydrophobicContact CD1-CG2 4.36Å; L254-I266 HydrophobicContact CD2-CG2 4.08Å; L254-I266 HydrophobicContact CG-CG2 4.48Å; L254-G267 VanDerWaalsContact CA-O 3.29Å; L254-G267 WeakPolarHBondContact CA-O 3.42Å; L254-V275 HydrophobicContact CD2-CB 4.26Å; L254-V275 HydrophobicContact CD2-CG1 4.24Å; L254-V275 HydrophobicContact CD2-CG2 3.76Å; L254-W290 HydrophobicContact CB-CZ2 4.33Å; L254-W290 HydrophobicContact CD1-CH2 4.1Å; L254-Y295 HydrophobicContact CD1-CD1 3.71Å; L254-Y295 HydrophobicContact CD1-CE1 3.7Å; L254-Y295 HydrophobicContact CD1-CG 4.34Å; L254-Y295 HydrophobicContact CG-CE1 4.43Å
255I98.8Very high98Very high1 Ų121.6 Ų21.61%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-123.5130.3166.6-172163.7000108.4A214 V222 I224 L236 L246 G247 F248 I266 G267 V269A214-I255 HydrophobicContact CB-CD1 3.26Å; V222-I255 HydrophobicContact CG1-CD1 3.89Å; I224-I255 HydrophobicContact CD1-CG2 4.46Å; L236-I255 HydrophobicContact CD1-CG2 3.87Å; L246-I255 HydrophobicContact CD2-CD1 4.17Å; L246-I255 HydrophobicContact CD2-CG1 4.36Å; G247-I255 CarbonylContact O-C 3.53Å; G247-I255 WeakPolarHBondContact O-CA 3.39Å; F248-I255 HydrophobicContact CE1-CD1 4.39Å; F248-I255 HydrophobicContact CE2-CD1 4.18Å; F248-I255 HydrophobicContact CZ-CD1 4.02Å; I255-I266 CarbonylContact O-C 3.39Å; I255-I266 WeakPolarHBondContact O-CA 3.45Å; I255-G267 PolarHBondContact N-O 3.37Å; I255-G267 PolarHBondContact O-N 3.42Å; I255-V269 HydrophobicContact CB-CG2 3.97Å; I255-V269 HydrophobicContact CG2-CG2 4.17Å
256A98.9Very high98Very high0 Ų020.7 Ų20.70%010%0.097CC..EExtended strand (participates in β ladder)trans-96.3135.5166.700000108.3L246 G247 I264 D265 L288 W290 L297L246-A256 CarbonylContact C-O 3.56Å; L246-A256 VanDerWaalsContact CA-O 3.29Å; L246-A256 WeakPolarHBondContact CA-O 3.3Å; G247-A256 PolarHBondContact N-O 2.87Å; G247-A256 PolarHBondContact O-N 3.06Å; A256-I264 HydrophobicContact CB-CG2 3.95Å; A256-D265 CarbonylContact C-O 3.52Å; A256-D265 VanDerWaalsContact CA-O 3.28Å; A256-D265 WeakPolarHBondContact CA-O 3.26Å; A256-L288 HydrophobicContact CB-CD1 4.37Å; A256-L288 HydrophobicContact CB-CD2 3.9Å; A256-W290 HydrophobicContact CB-CZ2 3.87Å; A256-W290 VanDerWaalsContact CB-NE1 3.28Å; A256-L297 HydrophobicContact CB-CD1 4.16Å; A256-L297 HydrophobicContact CB-CD2 3.92Å
257A98.9Very high98Very high0 Ų020.5 Ų20.50%010%0.096CC..EExtended strand (participates in β ladder)trans-131.7131.5175.200000110.2V222 L239 V243 L246 I264 D265V222-A257 HydrophobicContact CG2-CB 3.67Å; L239-A257 HydrophobicContact CD1-CB 3.96Å; V243-A257 HydrophobicContact CG1-CB 4.33Å; L246-A257 HydrophobicContact CD2-CB 3.41Å; L246-A257 VanDerWaalsContact CD2-CB 3.41Å; A257-I264 WeakPolarHBondContact O-CA 3.27Å; A257-I264 WeakPolarHBondContact O-CG2 3.15Å; A257-D265 PolarHBondContact N-O 3.21Å; A257-D265 PolarHBondContact O-N 3.12Å
258A98.6Very high98Very high0 Ų020.6 Ų20.60%010%0.096CC..EExtended strand (participates in β ladder)trans-130147.9-179.900000111.4V243 R244 T245 I264 T285 L288V243-A258 CarbonylContact C-O 3.13Å; R244-A258 PolarHBondContact N-O 2.95Å; T245-A258 HydrophobicContact CG2-CB 3.73Å; T245-A258 PolarHBondContact N-O 2.85Å; T245-A258 PolarHBondContact O-N 3.16Å; A258-I264 HydrophobicContact CB-CG1 3.95Å; A258-I264 HydrophobicContact CB-CG2 4.39Å; A258-T285 HydrophobicContact CB-CG2 3.75Å; A258-L288 HydrophobicContact CB-CD2 3.95Å
259S98.1Very high97.9Very high0 Ų020.7 Ų20.70%010%0.097CC..  trans-143.8-159.9-175.1600000109.4W241 P242 D261 T285W241-S259 WeakPolarHBondContact O-CB 3.21Å; P242-S259 WeakPolarHBondContact O-CA 3.45Å; P242-S259 WeakPolarHBondContact O-CB 3.35Å; S259-D261 WeakPolarHBondContact OG-CB 3.29Å; S259-D261 VanDerWaalsContact OG-CG 3.25Å; S259-D261 PolarHBondContact OG-N 2.87Å; S259-D261 PolarHBondContact OG-OD2 3.13Å; S259-T285 PolarHBondContact O-N 3.09Å
260E96.2Very high97.8Very high56 Ų5624.9 Ų24.926%0.26212%0.117SC..SBendtrans-78.4-3.7164.6-63.5166.9-133.700112.6W241 R244 H262 A284 F286W241-E260 HydrophobicContact CB-CB 3.79Å; W241-E260 HydrophobicContact CD2-CB 4.16Å; W241-E260 HydrophobicContact CE3-CB 4.39Å; W241-E260 HydrophobicContact CG-CB 3.88Å; R244-E260 IonicContact CZ-OE1 3.38Å; R244-E260 IonicContact NE-OE1 3.44Å; R244-E260 PolarHBondContact NE-OE1 3.06Å; R244-E260 IonicContact NH2-OE1 2.72Å; R244-E260 PolarHBondContact NH2-OE1 2.83Å; E260-H262 PolarHBondContact O-CD2 3.25Å; E260-A284 HydrophobicContact CB-CB 4.12Å; E260-A284 HydrophobicContact CG-CB 3.96Å; E260-F286 HydrophobicContact CG-CE1 4.41Å; E260-F286 HydrophobicContact CG-CZ 4.39Å
261D96.9Very high97.7Very high15 Ų1521.6 Ų21.68%0.0811%0.107CC..SBendtrans-59.2140.5162.5-65.2-77.9000109.5L239 E240 W241 S259 F263L239-D261 WeakPolarHBondContact CA-OD2 3.43Å; L239-D261 WeakPolarHBondContact CB-OD2 3.42Å; L239-D261 HydrophobicContact CD2-CB 4.13Å; E240-D261 PolarHBondContact N-OD1 2.94Å; E240-D261 PolarHBondContact N-OD2 2.8Å; W241-D261 PolarHBondContact N-OD2 3.48Å; W241-D261 VanDerWaalsContact N-OD2 3.07Å; S259-D261 WeakPolarHBondContact OG-CB 3.29Å; S259-D261 VanDerWaalsContact OG-CG 3.25Å; S259-D261 PolarHBondContact OG-N 2.87Å; S259-D261 PolarHBondContact OG-OD2 3.13Å; D261-F263 HydrophobicContact CB-CD1 3.94Å; D261-F263 HydrophobicContact CB-CE1 3.68Å; D261-F263 HydrophobicContact CB-CG 4.49Å; D261-F263 HydrophobicContact CB-CZ 4.03Å; D261-F263 PolarHBondContact O-N 3.31Å
262H95.5Very high97.7Very high107 Ų10720.3 Ų20.350%0.49510%0.103SC..SBendtrans-80.234.9-177-59.2159.8000113.1E260 T280 S283E260-H262 PolarHBondContact O-CD2 3.25Å; H262-T280 WeakPolarHBondContact CA-OG1 3.44Å; H262-T280 PolarHBondContact O-N 2.87Å; H262-T280 PolarHBondContact O-OG1 3.41Å; H262-S283 PolarHBondContact CD2-N 3.38Å
263F97.8Very high97.7Very high33 Ų3324.2 Ų24.215%0.14512%0.117CC..EExtended strand (participates in β ladder)trans-156.1161175.161.8-92.6000111.4L239 D261 D265 Q277 V278 T280L239-F263 HydrophobicContact CD2-CD2 4.35Å; L239-F263 HydrophobicContact CD2-CE2 3.61Å; L239-F263 HydrophobicContact CD2-CZ 3.96Å; D261-F263 HydrophobicContact CB-CD1 3.94Å; D261-F263 HydrophobicContact CB-CE1 3.68Å; D261-F263 HydrophobicContact CB-CG 4.49Å; D261-F263 HydrophobicContact CB-CZ 4.03Å; D261-F263 PolarHBondContact O-N 3.31Å; F263-D265 HydrophobicContact CE2-CB 4.26Å; F263-Q277 HydrophobicContact CB-CG 3.53Å; F263-Q277 HydrophobicContact CD1-CG 4.49Å; F263-Q277 HydrophobicContact CD2-CG 3.46Å; F263-Q277 VanDerWaalsContact CD2-CG 3.46Å; F263-Q277 HydrophobicContact CE2-CG 4.24Å; F263-Q277 HydrophobicContact CG-CG 3.59Å; F263-V278 CarbonylContact C-O 3.56Å; F263-V278 WeakPolarHBondContact CA-O 3.31Å; F263-V278 WeakPolarHBondContact CB-O 3.19Å; F263-T280 PolarHBondContact N-OG1 3.4Å
264I98.7Very high97.7Very high0 Ų024.5 Ų24.50%012%0.12CC..EExtended strand (participates in β ladder)trans-103.1124.2167-55.7161.8000107.5A256 A257 A258 Q277 V278 T280 T285 L288 L297 Y299A256-I264 HydrophobicContact CB-CG2 3.95Å; A257-I264 WeakPolarHBondContact O-CA 3.27Å; A257-I264 WeakPolarHBondContact O-CG2 3.15Å; A258-I264 HydrophobicContact CB-CG1 3.95Å; A258-I264 HydrophobicContact CB-CG2 4.39Å; I264-Q277 WeakPolarHBondContact O-CA 3.31Å; I264-V278 HydrophobicContact CB-CB 4.12Å; I264-V278 HydrophobicContact CB-CG2 4.47Å; I264-V278 PolarHBondContact N-O 3.38Å; I264-V278 PolarHBondContact O-N 3.08Å; I264-T280 HydrophobicContact CD1-CG2 4.1Å; I264-T280 HydrophobicContact CG1-CG2 3.84Å; I264-T285 HydrophobicContact CD1-CG2 4.16Å; I264-T285 HydrophobicContact CG1-CG2 4.24Å; I264-L288 HydrophobicContact CG2-CD2 4.13Å; I264-L297 HydrophobicContact CD1-CD2 4.15Å; I264-L297 HydrophobicContact CG2-CD2 4.07Å; I264-Y299 HydrophobicContact CD1-CD1 3.82Å; I264-Y299 HydrophobicContact CD1-CD2 3.63Å; I264-Y299 HydrophobicContact CD1-CE1 4.17Å; I264-Y299 HydrophobicContact CD1-CE2 3.96Å; I264-Y299 HydrophobicContact CD1-CG 3.53Å
265D98.7Very high97.7Very high3 Ų325 Ų252%0.01612%0.123CC..EExtended strand (participates in β ladder)trans-80.5129.8173.2178.969.6000109.9R238 L239 A256 A257 F263 Q274R238-D265 IonicContact CZ-OD1 2.91Å; R238-D265 IonicContact CZ-OD2 3.19Å; R238-D265 VanDerWaalsContact CZ-OD2 3.23Å; R238-D265 VanDerWaalsContact NE-CG 3.25Å; R238-D265 IonicContact NE-OD1 3.08Å; R238-D265 PolarHBondContact NE-OD1 3.42Å; R238-D265 IonicContact NE-OD2 2.76Å; R238-D265 PolarHBondContact NE-OD2 2.84Å; R238-D265 IonicContact NH2-OD1 3.41Å; R238-D265 IonicContact NH2-OD2 2.75Å; R238-D265 PolarHBondContact NH2-OD2 3.43Å; L239-D265 HydrophobicContact CD2-CB 4.26Å; A256-D265 CarbonylContact C-O 3.52Å; A256-D265 VanDerWaalsContact CA-O 3.28Å; A256-D265 WeakPolarHBondContact CA-O 3.26Å; A257-D265 PolarHBondContact N-O 3.21Å; A257-D265 PolarHBondContact O-N 3.12Å; F263-D265 HydrophobicContact CE2-CB 4.26Å; D265-Q274 WeakPolarHBondContact OD1-CG 3.45Å; D265-Q274 PolarHBondContact OD1-NE2 3.4Å
266I98.8Very high97.7Very high0 Ų027.6 Ų27.60%013%0.133CC..EExtended strand (participates in β ladder)trans-111.8110.9170.9-59.4178.3000108F13 L254 I255 V275 Y276 V278 W290 F315F13-I266 HydrophobicContact CE2-CG2 4.49Å; L254-I266 HydrophobicContact CB-CG2 4.24Å; L254-I266 HydrophobicContact CD1-CG2 4.36Å; L254-I266 HydrophobicContact CD2-CG2 4.08Å; L254-I266 HydrophobicContact CG-CG2 4.48Å; I255-I266 CarbonylContact O-C 3.39Å; I255-I266 WeakPolarHBondContact O-CA 3.45Å; I266-V275 HydrophobicContact CG2-CB 4.24Å; I266-V275 WeakPolarHBondContact O-CA 3.3Å; I266-V275 WeakPolarHBondContact O-CB 3.48Å; I266-V275 PolarHBondContact O-N 2.86Å; I266-Y276 PolarHBondContact N-O 2.78Å; I266-Y276 PolarHBondContact O-N 2.91Å; I266-V278 HydrophobicContact CD1-CG2 3.66Å; I266-V278 HydrophobicContact CG1-CG2 4.27Å; I266-W290 HydrophobicContact CD1-CH2 4.05Å; I266-W290 HydrophobicContact CD1-CZ2 4.25Å; I266-W290 HydrophobicContact CG1-CZ2 4.42Å; I266-W290 HydrophobicContact CG2-CH2 4.43Å; I266-W290 HydrophobicContact CG2-CZ2 4.28Å; I266-F315 HydrophobicContact CD1-CD1 4.09Å; I266-F315 HydrophobicContact CD1-CE1 3.42Å; I266-F315 VanDerWaalsContact CD1-CE1 3.42Å; I266-F315 HydrophobicContact CD1-CZ 4.16Å
267G98.4Very high97.6Very high0 Ų031.9 Ų31.90%015%0.153CC..EExtended strand (participates in β ladder)trans-104.5150.9178.800000112.9L254 I255L254-G267 VanDerWaalsContact CA-O 3.29Å; L254-G267 WeakPolarHBondContact CA-O 3.42Å; I255-G267 PolarHBondContact N-O 3.37Å; I255-G267 PolarHBondContact O-N 3.42Å
268H97.8Very high97.6Very high2 Ų232 Ų321%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-84.3117168.8-178.6-122.5000109.7E5 L6 K253 Q270 T271 G272 E273 V275E5-H268 IonicContact OE1-CE1 2.68Å; E5-H268 IonicContact OE1-NE2 3.75Å; E5-H268 PolarHBondContact OE1-NE2 3.47Å; L6-H268 HydrophobicContact CD1-CB 3.79Å; K253-H268 PolarHBondContact O-CD2 3.5Å; K253-H268 VanDerWaalsContact O-CD2 3.27Å; H268-Q270 PolarHBondContact O-N 2.85Å; H268-T271 WeakPolarHBondContact ND1-CG2 3.47Å; H268-T271 PolarHBondContact ND1-N 3.31Å; H268-T271 PolarHBondContact ND1-OG1 3.03Å; H268-T271 PolarHBondContact O-N 2.88Å; H268-G272 VanDerWaalsContact O-CA 3.31Å; H268-G272 WeakPolarHBondContact O-CA 3.36Å; H268-G272 PolarHBondContact O-N 2.87Å; H268-E273 PolarHBondContact N-O 3.14Å; H268-V275 HydrophobicContact CB-CG2 3.66Å
269V97.5Very high97.4Very high7 Ų734.1 Ų34.14%0.04218%0.176CC..THydrogen-bonded Turntrans-58.6-46.5-169.9171.30000111.9I224 F248 G252 K253 I255 T271I224-V269 HydrophobicContact CD1-CG1 4.29Å; I224-V269 HydrophobicContact CG2-CG1 4.26Å; F248-V269 HydrophobicContact CD1-CG2 3.86Å; F248-V269 HydrophobicContact CE1-CG1 4.03Å; F248-V269 HydrophobicContact CE1-CG2 3.62Å; G252-V269 WeakPolarHBondContact O-CG2 3.24Å; K253-V269 PolarHBondContact O-N 2.87Å; I255-V269 HydrophobicContact CB-CG2 3.97Å; I255-V269 HydrophobicContact CG2-CG2 4.17Å; V269-T271 PolarHBondContact O-N 2.99Å
270Q95.3Very high97.1Very high88 Ų8834.2 Ų34.241%0.41118%0.176SC..THydrogen-bonded Turntrans-72.8-31-173.1-177.859.26000114R234 H268R234-Q270 PolarHBondContact NH2-O 2.71Å; H268-Q270 PolarHBondContact O-N 2.85Å
271T96.1Very high96.6Very high26 Ų2638.1 Ų38.116%0.1619%0.194CC..THydrogen-bonded Turntrans-100-30.6-179.663.70000112.5K2 R234 H268 V269 E273K2-T271 HydrophobicContact CB-CG2 4.41Å; R234-T271 PolarHBondContact NE-O 2.96Å; R234-T271 PolarHBondContact NH2-O 3.06Å; R234-T271 VanDerWaalsContact NH2-O 3.1Å; H268-T271 WeakPolarHBondContact ND1-CG2 3.47Å; H268-T271 PolarHBondContact ND1-N 3.31Å; H268-T271 PolarHBondContact ND1-OG1 3.03Å; H268-T271 PolarHBondContact O-N 2.88Å; V269-T271 PolarHBondContact O-N 2.99Å; T271-E273 VanDerWaalsContact C-N 3.29Å; T271-E273 WeakPolarHBondContact CB-OE2 3.49Å; T271-E273 PolarHBondContact OG1-N 2.73Å; T271-E273 PolarHBondContact OG1-OE2 3.46Å
272G96.5Very high95.9Very high12 Ų1241 Ų4112%0.12422%0.22CC..  trans85.2-1.7-170.800000113.5L236 R238 H268L236-G272 WeakPolarHBondContact CD2-O 3.39Å; R238-G272 PolarHBondContact NH1-O 3.38Å; H268-G272 VanDerWaalsContact O-CA 3.31Å; H268-G272 WeakPolarHBondContact O-CA 3.36Å; H268-G272 PolarHBondContact O-N 2.87Å
273E97.7Very high95.6Very high94 Ų9436.7 Ų36.744%0.43920%0.202SC..  trans-76.7146.1-177.3-68173.989.500111.7L6 H268 T271 V275L6-E273 HydrophobicContact CD1-CB 4.32Å; L6-E273 HydrophobicContact CD2-CB 3.82Å; L6-E273 HydrophobicContact CD2-CG 4.21Å; L6-E273 WeakPolarHBondContact CD2-OE1 3.42Å; L6-E273 WeakPolarHBondContact CD2-OE2 3.43Å; H268-E273 PolarHBondContact N-O 3.14Å; T271-E273 VanDerWaalsContact C-N 3.29Å; T271-E273 WeakPolarHBondContact CB-OE2 3.49Å; T271-E273 PolarHBondContact OG1-N 2.73Å; T271-E273 PolarHBondContact OG1-OE2 3.46Å; E273-V275 PolarHBondContact O-N 3Å
274Q98Very high95.4Very high71 Ų7135.5 Ų35.533%0.33220%0.198SC..EExtended strand (participates in β ladder)trans-66.8134.2173.7-169.2177.258.300110.5K10 D265K10-Q274 WeakPolarHBondContact CE-O 3.42Å; K10-Q274 PolarHBondContact NZ-O 3.47Å; D265-Q274 WeakPolarHBondContact OD1-CG 3.45Å; D265-Q274 PolarHBondContact OD1-NE2 3.4Å
275V98.4Very high95.3Very high9 Ų935.5 Ų35.56%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-100.3-48.1175.7176.50000110.4L6 L9 K10 F13 L254 I266 H268 E273L6-V275 HydrophobicContact CD1-CG2 3.73Å; L9-V275 HydrophobicContact CB-CG1 3.87Å; K10-V275 HydrophobicContact CG-CG1 4.39Å; F13-V275 HydrophobicContact CD2-CG1 3.62Å; F13-V275 HydrophobicContact CE2-CG1 4.04Å; L254-V275 HydrophobicContact CD2-CB 4.26Å; L254-V275 HydrophobicContact CD2-CG1 4.24Å; L254-V275 HydrophobicContact CD2-CG2 3.76Å; I266-V275 HydrophobicContact CG2-CB 4.24Å; I266-V275 WeakPolarHBondContact O-CA 3.3Å; I266-V275 WeakPolarHBondContact O-CB 3.48Å; I266-V275 PolarHBondContact O-N 2.86Å; H268-V275 HydrophobicContact CB-CG2 3.66Å; E273-V275 PolarHBondContact O-N 3Å
276Y98.5Very high95.2Very high57 Ų5738.6 Ų38.622%0.22421%0.212CC..EExtended strand (participates in β ladder)trans-157.7162.6-177-158.6-101.2000111.4F13 L14 S17 I266 V278 F315F13-Y276 HydrophobicContact CB-CD1 4.46Å; F13-Y276 HydrophobicContact CB-CD2 3.69Å; F13-Y276 HydrophobicContact CB-CE2 4.33Å; F13-Y276 HydrophobicContact CB-CG 3.77Å; F13-Y276 HydrophobicContact CG-CG 4.44Å; L14-Y276 HydrophobicContact CD2-CE2 4.21Å; S17-Y276 WeakPolarHBondContact CB-OH 3.36Å; I266-Y276 PolarHBondContact N-O 2.78Å; I266-Y276 PolarHBondContact O-N 2.91Å; Y276-V278 HydrophobicContact CD1-CG2 4.17Å; Y276-F315 AromaticContact CD1-CE2 3.95Å; Y276-F315 HydrophobicContact CD1-CE2 3.95Å; Y276-F315 AromaticContact CD1-CZ 3.52Å; Y276-F315 HydrophobicContact CD1-CZ 3.52Å; Y276-F315 AromaticContact CE1-CE2 3.69Å; Y276-F315 HydrophobicContact CE1-CE2 3.69Å; Y276-F315 AromaticContact CE1-CZ 3.75Å; Y276-F315 HydrophobicContact CE1-CZ 3.75Å; Y276-F315 HydrophobicContact CG-CZ 4.38Å
277Q97.9Very high95.1Very high90 Ų9039 Ų3942%0.42121%0.214SC..EExtended strand (participates in β ladder)trans-128.6116.9174.5-176.7174-28.200109.3F263 I264F263-Q277 HydrophobicContact CB-CG 3.53Å; F263-Q277 HydrophobicContact CD1-CG 4.49Å; F263-Q277 HydrophobicContact CD2-CG 3.46Å; F263-Q277 VanDerWaalsContact CD2-CG 3.46Å; F263-Q277 HydrophobicContact CE2-CG 4.24Å; F263-Q277 HydrophobicContact CG-CG 3.59Å; I264-Q277 WeakPolarHBondContact O-CA 3.31Å
278V97.8Very high95.1Very high2 Ų239.5 Ų39.51%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-90.8113.6179.8-170.60000108.6V19 F263 I264 I266 Y276 Y299 F315V19-V278 HydrophobicContact CG2-CG1 4.18Å; F263-V278 CarbonylContact C-O 3.56Å; F263-V278 WeakPolarHBondContact CA-O 3.31Å; F263-V278 WeakPolarHBondContact CB-O 3.19Å; I264-V278 HydrophobicContact CB-CB 4.12Å; I264-V278 HydrophobicContact CB-CG2 4.47Å; I264-V278 PolarHBondContact N-O 3.38Å; I264-V278 PolarHBondContact O-N 3.08Å; I266-V278 HydrophobicContact CD1-CG2 3.66Å; I266-V278 HydrophobicContact CG1-CG2 4.27Å; Y276-V278 HydrophobicContact CD1-CG2 4.17Å; V278-Y299 HydrophobicContact CG1-CE1 4.27Å; V278-F315 HydrophobicContact CB-CD2 4.36Å; V278-F315 HydrophobicContact CB-CG 4.48Å; V278-F315 HydrophobicContact CG1-CB 4.1Å; V278-F315 HydrophobicContact CG1-CD2 3.65Å; V278-F315 HydrophobicContact CG1-CE2 4.22Å; V278-F315 HydrophobicContact CG1-CG 3.84Å; V278-F315 HydrophobicContact CG2-CD1 3.65Å; V278-F315 HydrophobicContact CG2-CD2 3.81Å; V278-F315 HydrophobicContact CG2-CE1 3.61Å; V278-F315 HydrophobicContact CG2-CE2 3.75Å; V278-F315 HydrophobicContact CG2-CG 3.75Å; V278-F315 HydrophobicContact CG2-CZ 3.65Å
279G95.1Very high95.1Very high45 Ų4540.1 Ų40.146%0.46422%0.222SC..EExtended strand (participates in β ladder)trans-67137.6175.100000112.1
280T92.3Very high95.2Very high1 Ų140.8 Ų40.81%0.00622%0.224CC..  trans-114.327.7-177.259.30000112.8H262 F263 I264 A282 S283 T285 Y299H262-T280 WeakPolarHBondContact CA-OG1 3.44Å; H262-T280 PolarHBondContact O-N 2.87Å; H262-T280 PolarHBondContact O-OG1 3.41Å; F263-T280 PolarHBondContact N-OG1 3.4Å; I264-T280 HydrophobicContact CD1-CG2 4.1Å; I264-T280 HydrophobicContact CG1-CG2 3.84Å; T280-A282 PolarHBondContact O-N 3.09Å; T280-S283 WeakPolarHBondContact CB-O 3.34Å; T280-S283 WeakPolarHBondContact O-CB 3.37Å; T280-S283 PolarHBondContact O-N 3.2Å; T280-S283 PolarHBondContact OG1-O 2.85Å; T280-T285 WeakPolarHBondContact CG2-OG1 3.13Å; T280-Y299 HydrophobicContact CG2-CD2 4.46Å; T280-Y299 HydrophobicContact CG2-CE2 3.9Å
281H84.5Confident95.3Very high138 Ų13837 Ų3764%0.63921%0.206SC*.SBendtrans53.648.3177.4-57165.2000114S283H281-S283 VanDerWaalsContact C-N 3.35Å; H281-S283 PolarHBondContact O-N 2.99Å
282A81.9Confident95.4Very high76 Ų7637.7 Ų37.763%0.62821%0.211SC*.SBendtrans60.939.7178.900000113.7T280T280-A282 PolarHBondContact O-N 3.09Å
283S90.4Very high95.4Very high17 Ų1744.6 Ų44.612%0.11923%0.234CC..  trans-139.8141.5-178.8-176.90000113.4H262 T280 H281 E302H262-S283 PolarHBondContact CD2-N 3.38Å; T280-S283 WeakPolarHBondContact CB-O 3.34Å; T280-S283 WeakPolarHBondContact O-CB 3.37Å; T280-S283 PolarHBondContact O-N 3.2Å; T280-S283 PolarHBondContact OG1-O 2.85Å; H281-S283 VanDerWaalsContact C-N 3.35Å; H281-S283 PolarHBondContact O-N 2.99Å; S283-E302 WeakPolarHBondContact CB-O 3.21Å; S283-E302 WeakPolarHBondContact OG-CA 3.32Å; S283-E302 WeakPolarHBondContact OG-CB 3.3Å; S283-E302 PolarHBondContact OG-N 2.83Å; S283-E302 VanDerWaalsContact OG-N 3.08Å; S283-E302 PolarHBondContact OG-O 3.33Å
284A93.7Very high95.3Very high8 Ų844.5 Ų44.57%0.06623%0.233CC..  trans-60.5143.8172.800000111.4E260 F286 S301 E302E260-A284 HydrophobicContact CB-CB 4.12Å; E260-A284 HydrophobicContact CG-CB 3.96Å; A284-F286 HydrophobicContact CB-CD2 4.49Å; A284-F286 HydrophobicContact CB-CE2 3.68Å; A284-F286 HydrophobicContact CB-CZ 3.73Å; A284-S301 CarbonylContact O-C 3.52Å; A284-S301 VanDerWaalsContact O-CA 3.23Å; A284-S301 WeakPolarHBondContact O-CA 3.44Å; A284-S301 WeakPolarHBondContact O-CB 3.34Å; A284-E302 PolarHBondContact O-N 3.13Å
285T96.6Very high95.3Very high0 Ų042.3 Ų42.30%022%0.222CC..EExtended strand (participates in β ladder)trans-120.3117.7178.2-64.40000110.1A258 S259 I264 T280 Y299 S301A258-T285 HydrophobicContact CB-CG2 3.75Å; S259-T285 PolarHBondContact O-N 3.09Å; I264-T285 HydrophobicContact CD1-CG2 4.16Å; I264-T285 HydrophobicContact CG1-CG2 4.24Å; T280-T285 WeakPolarHBondContact CG2-OG1 3.13Å; T285-Y299 HydrophobicContact CG2-CD2 4.17Å; T285-S301 WeakPolarHBondContact OG1-CB 3.35Å; T285-S301 PolarHBondContact OG1-OG 3.15Å
286F95.7Very high95.3Very high67 Ų6742.2 Ų42.229%0.29422%0.221SC..EExtended strand (participates in β ladder)trans-102.9-15.2-173.9-63.1-76.2000113.2R244 T245 E260 A284 E302R244-F286 HydrophobicContact CB-CD1 3.99Å; R244-F286 HydrophobicContact CG-CD1 3.68Å; R244-F286 HydrophobicContact CG-CE1 3.86Å; T245-F286 WeakPolarHBondContact CB-O 3.29Å; E260-F286 HydrophobicContact CG-CE1 4.41Å; E260-F286 HydrophobicContact CG-CZ 4.39Å; A284-F286 HydrophobicContact CB-CD2 4.49Å; A284-F286 HydrophobicContact CB-CE2 3.68Å; A284-F286 HydrophobicContact CB-CZ 3.73Å; F286-E302 HydrophobicContact CE2-CB 4.01Å
287V97Very high95.3Very high10 Ų1039.5 Ų39.56%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-146.4134.5-175.963.40000111.2I29 L32 Y299 S300I29-V287 HydrophobicContact CG2-CG1 4.15Å; L32-V287 HydrophobicContact CB-CG2 3.81Å; L32-V287 HydrophobicContact CD1-CG1 4.08Å; L32-V287 HydrophobicContact CD1-CG2 4.26Å; L32-V287 HydrophobicContact CG-CG1 4.27Å; L32-V287 HydrophobicContact CG-CG2 3.97Å; V287-Y299 VanDerWaalsContact O-CA 3.32Å; V287-Y299 WeakPolarHBondContact O-CA 3.39Å; V287-Y299 WeakPolarHBondContact O-CB 3.48Å; V287-S300 PolarHBondContact O-N 3.07Å; V287-S300 VanDerWaalsContact O-N 3.09Å
288L98.4Very high95.3Very high10 Ų1035.2 Ų35.25%0.05219%0.19CC..EExtended strand (participates in β ladder)trans-145160.6172.664.876.2000111T245 L246 A256 A258 I264 L297 S298T245-L288 HydrophobicContact CG2-CB 4.39Å; T245-L288 HydrophobicContact CG2-CD2 3.84Å; T245-L288 HydrophobicContact CG2-CG 3.72Å; L246-L288 WeakPolarHBondContact O-CD1 3.4Å; A256-L288 HydrophobicContact CB-CD1 4.37Å; A256-L288 HydrophobicContact CB-CD2 3.9Å; A258-L288 HydrophobicContact CB-CD2 3.95Å; I264-L288 HydrophobicContact CG2-CD2 4.13Å; L288-L297 HydrophobicContact CB-CD1 4.11Å; L288-L297 HydrophobicContact CD1-CD1 4.02Å; L288-L297 HydrophobicContact CG-CD1 4.47Å; L288-S298 CarbonylContact C-O 3.55Å; L288-S298 WeakPolarHBondContact CA-O 3.48Å
289A98.5Very high95.3Very high14 Ų1435.1 Ų35.112%0.11619%0.19CC..EExtended strand (participates in β ladder)trans-152.2125.2172.600000109.9L32 W34 S298L32-A289 HydrophobicContact CB-CB 4.38Å; W34-A289 PolarHBondContact NE1-O 2.77Å; A289-S298 PolarHBondContact N-O 2.91Å; A289-S298 PolarHBondContact O-N 3.18Å; A289-S298 PolarHBondContact O-OG 3.26Å
290W98.7Very high95.3Very high21 Ų2133.3 Ų33.38%0.0817%0.17CC..EExtended strand (participates in β ladder)trans-72.9142.6170-7796.9000110.7F13 G247 F248 L254 A256 I266 Y295 L297F13-W290 HydrophobicContact CE1-CH2 4.44Å; F13-W290 AromaticContact CZ-CH2 3.96Å; F13-W290 HydrophobicContact CZ-CH2 3.96Å; F13-W290 HydrophobicContact CZ-CZ3 4.32Å; G247-W290 PolarHBondContact O-NE1 2.86Å; F248-W290 WeakPolarHBondContact O-CB 3.41Å; L254-W290 HydrophobicContact CB-CZ2 4.33Å; L254-W290 HydrophobicContact CD1-CH2 4.1Å; A256-W290 HydrophobicContact CB-CZ2 3.87Å; A256-W290 VanDerWaalsContact CB-NE1 3.28Å; I266-W290 HydrophobicContact CD1-CH2 4.05Å; I266-W290 HydrophobicContact CD1-CZ2 4.25Å; I266-W290 HydrophobicContact CG1-CZ2 4.42Å; I266-W290 HydrophobicContact CG2-CH2 4.43Å; I266-W290 HydrophobicContact CG2-CZ2 4.28Å; W290-Y295 HydrophobicContact CZ3-CD1 4.46Å; W290-L297 HydrophobicContact CD2-CB 4.4Å; W290-L297 HydrophobicContact CD2-CD1 3.85Å; W290-L297 HydrophobicContact CE3-CB 4.18Å; W290-L297 HydrophobicContact CE3-CD1 4.45Å; W290-L297 HydrophobicContact CG-CD1 3.89Å; W290-L297 HydrophobicContact CH2-CB 4.46Å; W290-L297 HydrophobicContact CZ2-CD1 4.48Å; W290-L297 HydrophobicContact CZ3-CB 4.2Å
291H98.4Very high95.4Very high8 Ų833.9 Ų33.94%0.03717%0.174CC..  trans-66.4136.8168.9-176.1-87.3000110W34 G38 R293 Q294 L296W34-H291 AromaticContact CD2-CD2 3.97Å; W34-H291 AromaticContact CE3-CD2 3.72Å; W34-H291 AromaticContact CH2-CD2 3.97Å; W34-H291 AromaticContact CZ3-CD2 3.72Å; G38-H291 VanDerWaalsContact CA-NE2 3.35Å; G38-H291 WeakPolarHBondContact CA-NE2 3.27Å; G38-H291 PolarHBondContact O-NE2 3.14Å; H291-R293 PolarHBondContact ND1-N 3.18Å; H291-R293 PolarHBondContact O-N 2.87Å; H291-Q294 HydrophobicContact CB-CB 4.48Å; H291-Q294 WeakPolarHBondContact ND1-CB 3.3Å; H291-Q294 PolarHBondContact ND1-N 3.16Å; H291-L296 HydrophobicContact CB-CB 3.78Å; H291-L296 WeakPolarHBondContact CB-O 3.2Å; H291-L296 PolarHBondContact N-O 3.31Å
292P97.5Very high95.6Very high42 Ų4231.3 Ų31.327%0.27316%0.162SC..THydrogen-bonded Turntrans-75.64.7-168.232.9-41.3000114.6W34 N35 G38 Y250W34-P292 HydrophobicContact CB-CG 4.44Å; N35-P292 WeakPolarHBondContact O-CG 3.39Å; G38-P292 VanDerWaalsContact N-CG 3.32Å; Y250-P292 WeakPolarHBondContact CB-O 3.38Å
293R96.8Very high95.8Very high156 Ų15628.8 Ų28.859%0.58914%0.142SC*.THydrogen-bonded Turntrans-145.2-4.3-177.1-61.6-176.7175.9-177-4.5114.7Y250 H291Y250-R293 VanDerWaalsContact CD1-C 3.48Å; H291-R293 PolarHBondContact ND1-N 3.18Å; H291-R293 PolarHBondContact O-N 2.87Å
294Q96.2Very high95.3Very high93 Ų9336.3 Ų36.344%0.43517%0.172SC..SBendtrans-143.3155.9-171.3-61.2-179.21.800109.1Y250 H291 L296Y250-Q294 VanDerWaalsContact CD1-N 3.34Å; H291-Q294 HydrophobicContact CB-CB 4.48Å; H291-Q294 WeakPolarHBondContact ND1-CB 3.3Å; H291-Q294 PolarHBondContact ND1-N 3.16Å; Q294-L296 HydrophobicContact CB-CD1 4.45Å; Q294-L296 HydrophobicContact CB-CG 4.07Å; Q294-L296 PolarHBondContact O-N 2.77Å
295Y97.8Very high94.6Very high24 Ų2441.4 Ų41.49%0.09419%0.191CC..SBendtrans-77.456.1169-62.2-43.1000111.3L9 Y12 F13 Y250 D251 L254 W290 G316L9-Y295 HydrophobicContact CD2-CE2 3.87Å; Y12-Y295 HydrophobicContact CD1-CD2 4.03Å; Y12-Y295 AromaticContact CE1-CD2 3.66Å; Y12-Y295 HydrophobicContact CE1-CD2 3.66Å; Y12-Y295 HydrophobicContact CE1-CG 4.18Å; Y12-Y295 HydrophobicContact CE2-CD2 4.41Å; Y12-Y295 AromaticContact CZ-CD2 3.87Å; F13-Y295 HydrophobicContact CZ-CG 4.18Å; Y250-Y295 HydrophobicContact CD1-CD1 4.31Å; Y250-Y295 HydrophobicContact CD1-CE1 4.36Å; Y250-Y295 AromaticContact CE1-CD1 3.86Å; Y250-Y295 HydrophobicContact CE1-CD1 3.86Å; Y250-Y295 AromaticContact CE1-CE1 3.78Å; Y250-Y295 HydrophobicContact CE1-CE1 3.78Å; Y250-Y295 HydrophobicContact CE1-CG 4.43Å; D251-Y295 PolarHBondContact OD2-OH 2.75Å; L254-Y295 HydrophobicContact CD1-CD1 3.71Å; L254-Y295 HydrophobicContact CD1-CE1 3.7Å; L254-Y295 HydrophobicContact CD1-CG 4.34Å; L254-Y295 HydrophobicContact CG-CE1 4.43Å; W290-Y295 HydrophobicContact CZ3-CD1 4.46Å; Y295-G316 WeakPolarHBondContact O-CA 3.47Å
296L97.8Very high93.4Very high7 Ų749.3 Ų49.34%0.03723%0.228CC..  trans-109.5134.4169.4-63.4-178.1000108.8L55 H291 Q294 L314 F315 G316 L317L55-L296 HydrophobicContact CD2-CD1 4.11Å; H291-L296 HydrophobicContact CB-CB 3.78Å; H291-L296 WeakPolarHBondContact CB-O 3.2Å; H291-L296 PolarHBondContact N-O 3.31Å; Q294-L296 HydrophobicContact CB-CD1 4.45Å; Q294-L296 HydrophobicContact CB-CG 4.07Å; Q294-L296 PolarHBondContact O-N 2.77Å; L296-L314 HydrophobicContact CB-CD1 4.09Å; L296-L314 HydrophobicContact CD1-CD2 4.49Å; L296-F315 WeakPolarHBondContact CA-O 3.29Å; L296-G316 WeakPolarHBondContact CD2-O 3.37Å; L296-L317 HydrophobicContact CD2-CD2 3.87Å
297L98.6Very high92.4Very high0 Ų055.9 Ų55.90%025%0.25CS..EExtended strand (participates in β ladder)trans-119.9115.4179.6-178.266000108.6A256 I264 L288 W290 F315A256-L297 HydrophobicContact CB-CD1 4.16Å; A256-L297 HydrophobicContact CB-CD2 3.92Å; I264-L297 HydrophobicContact CD1-CD2 4.15Å; I264-L297 HydrophobicContact CG2-CD2 4.07Å; L288-L297 HydrophobicContact CB-CD1 4.11Å; L288-L297 HydrophobicContact CD1-CD1 4.02Å; L288-L297 HydrophobicContact CG-CD1 4.47Å; W290-L297 HydrophobicContact CD2-CB 4.4Å; W290-L297 HydrophobicContact CD2-CD1 3.85Å; W290-L297 HydrophobicContact CE3-CB 4.18Å; W290-L297 HydrophobicContact CE3-CD1 4.45Å; W290-L297 HydrophobicContact CG-CD1 3.89Å; W290-L297 HydrophobicContact CH2-CB 4.46Å; W290-L297 HydrophobicContact CZ2-CD1 4.48Å; W290-L297 HydrophobicContact CZ3-CB 4.2Å; L297-F315 HydrophobicContact CB-CB 4.35Å; L297-F315 HydrophobicContact CB-CD1 4.11Å; L297-F315 PolarHBondContact N-O 3.3Å; L297-F315 PolarHBondContact O-N 2.78Å
298S98Very high91.6Very high0 Ų058.9 Ų58.90%027%0.266CS..EExtended strand (participates in β ladder)trans-88.4139.6167.957.10000109.9W34 L288 A289 R313W34-S298 PolarHBondContact NE1-OG 2.83Å; L288-S298 CarbonylContact C-O 3.55Å; L288-S298 WeakPolarHBondContact CA-O 3.48Å; A289-S298 PolarHBondContact N-O 2.91Å; A289-S298 PolarHBondContact O-N 3.18Å; A289-S298 PolarHBondContact O-OG 3.26Å; S298-R313 CarbonylContact C-O 3.56Å; S298-R313 WeakPolarHBondContact CA-O 3.18Å
299Y97.6Very high91Very high1 Ų161 Ų610%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-152.6161.8175.763.3-79.9000111.1V19 I264 V278 T280 T285 V287 R313 F315V19-Y299 HydrophobicContact CG1-CE1 4.47Å; V19-Y299 WeakPolarHBondContact CG1-OH 3.17Å; I264-Y299 HydrophobicContact CD1-CD1 3.82Å; I264-Y299 HydrophobicContact CD1-CD2 3.63Å; I264-Y299 HydrophobicContact CD1-CE1 4.17Å; I264-Y299 HydrophobicContact CD1-CE2 3.96Å; I264-Y299 HydrophobicContact CD1-CG 3.53Å; V278-Y299 HydrophobicContact CG1-CE1 4.27Å; T280-Y299 HydrophobicContact CG2-CD2 4.46Å; T280-Y299 HydrophobicContact CG2-CE2 3.9Å; T285-Y299 HydrophobicContact CG2-CD2 4.17Å; V287-Y299 VanDerWaalsContact O-CA 3.32Å; V287-Y299 WeakPolarHBondContact O-CA 3.39Å; V287-Y299 WeakPolarHBondContact O-CB 3.48Å; Y299-R313 HydrophobicContact CD1-CB 3.94Å; Y299-R313 HydrophobicContact CD2-CB 4.12Å; Y299-R313 HydrophobicContact CE1-CB 3.53Å; Y299-R313 HydrophobicContact CE2-CB 3.76Å; Y299-R313 HydrophobicContact CE2-CG 4.12Å; Y299-R313 HydrophobicContact CG-CB 4.22Å; Y299-R313 VanDerWaalsContact CZ-CB 3.46Å; Y299-R313 PolarHBondContact N-O 2.53Å; Y299-R313 PolarHBondContact O-N 2.98Å; Y299-F315 HydrophobicContact CE1-CB 3.92Å
300S95.3Very high90.4Very high7 Ų760.5 Ų60.55%0.04927%0.272CS..EExtended strand (participates in β ladder)trans-129.8132.8168.9179.80000108.9V287 V311V287-S300 PolarHBondContact O-N 3.07Å; V287-S300 VanDerWaalsContact O-N 3.09Å; S300-V311 PolarHBondContact OG-O 2.85Å
301S93.1Very high90.1Very high12 Ų1260.2 Ų60.28%0.08427%0.272CS..EExtended strand (participates in β ladder)trans-107.2160.6177.6-45.40000109.7A284 T285A284-S301 CarbonylContact O-C 3.52Å; A284-S301 VanDerWaalsContact O-CA 3.23Å; A284-S301 WeakPolarHBondContact O-CA 3.44Å; A284-S301 WeakPolarHBondContact O-CB 3.34Å; T285-S301 WeakPolarHBondContact OG1-CB 3.35Å; T285-S301 PolarHBondContact OG1-OG 3.15Å
302E89.7Confident89.9Confident84 Ų8459.8 Ų59.839%0.39327%0.27SS..  trans-60.5143.6175.5-175.2152.5-116.100111.5K28 S283 A284 F286K28-E302 IonicContact NZ-OE1 2.99Å; K28-E302 PolarHBondContact NZ-OE1 2.53Å; S283-E302 WeakPolarHBondContact CB-O 3.21Å; S283-E302 WeakPolarHBondContact OG-CA 3.32Å; S283-E302 WeakPolarHBondContact OG-CB 3.3Å; S283-E302 PolarHBondContact OG-N 2.83Å; S283-E302 VanDerWaalsContact OG-N 3.08Å; S283-E302 PolarHBondContact OG-O 3.33Å; A284-E302 PolarHBondContact O-N 3.13Å; F286-E302 HydrophobicContact CE2-CB 4.01Å
303A85.8Confident89.8Confident24 Ų2459.1 Ų59.120%0.19826%0.263CS..  trans-96.5136175.200000109.3Y305 D308 Q309A303-Y305 WeakPolarHBondContact CB-O 3.42Å; A303-Y305 PolarHBondContact O-N 3.3Å; A303-D308 VanDerWaalsContact CB-C 3.4Å; A303-D308 HydrophobicContact CB-CB 4.07Å; A303-D308 VanDerWaalsContact CB-O 3.31Å; A303-D308 WeakPolarHBondContact CB-O 3.28Å; A303-Q309 HydrophobicContact CB-CB 4.33Å; A303-Q309 HydrophobicContact CB-CG 3.7Å
304K80Confident89.8Confident174 Ų17451.7 Ų51.776%0.75723%0.234SC*.SBendtrans-64.5-32.7173.4-175.7176.3-179.9-178.50112.2
305Y79.4Confident89.8Confident116 Ų11647.3 Ų47.346%0.45521%0.214SC..SBendtrans-126.3146.4179.3-56.5-72.6000109.8A303 R307 D308A303-Y305 WeakPolarHBondContact CB-O 3.42Å; A303-Y305 PolarHBondContact O-N 3.3Å; Y305-R307 PolarHBondContact O-N 3.1Å; Y305-D308 WeakPolarHBondContact CD2-OD2 3.46Å; Y305-D308 PolarHBondContact O-N 3.42Å
306E71.5Confident89.8Confident166 Ų16646.3 Ų46.378%0.77621%0.21SC*.G310 helixtrans-55.6-37.7-180-69-177.117000113.1D308 Q309E306-D308 PolarHBondContact O-N 3.14Å; E306-D308 VanDerWaalsContact O-N 3.16Å; E306-Q309 VanDerWaalsContact O-CB 3.29Å; E306-Q309 WeakPolarHBondContact O-CB 3.47Å; E306-Q309 WeakPolarHBondContact O-CG 3.47Å; E306-Q309 PolarHBondContact O-N 3.15Å; E306-Q309 VanDerWaalsContact O-N 3.12Å
307R75Confident89.7Confident205 Ų20546.2 Ų46.277%0.77421%0.21SC*.G310 helixtrans-63.3-19.9177.869.4176.1-178.4-136.5-3.2114.3Y305Y305-R307 PolarHBondContact O-N 3.1Å
308D79.3Confident89.4Confident73 Ų7350.2 Ų50.239%0.3923%0.234SC..G310 helixtrans-99.97.5-177.9-57.3-39.3000111.4A303 Y305 E306 V311A303-D308 VanDerWaalsContact CB-C 3.4Å; A303-D308 HydrophobicContact CB-CB 4.07Å; A303-D308 VanDerWaalsContact CB-O 3.31Å; A303-D308 WeakPolarHBondContact CB-O 3.28Å; Y305-D308 WeakPolarHBondContact CD2-OD2 3.46Å; Y305-D308 PolarHBondContact O-N 3.42Å; E306-D308 PolarHBondContact O-N 3.14Å; E306-D308 VanDerWaalsContact O-N 3.16Å; D308-V311 WeakPolarHBondContact O-CG2 3.44Å
309Q85.3Confident88.9Confident54 Ų5451.7 Ų51.725%0.25224%0.242SC..  trans-69.2165.9174.7-70.9-179.15.600112.2G26 A303 E306 V311G26-Q309 CarbonylContact O-C 3.57Å; G26-Q309 VanDerWaalsContact O-C 3.22Å; A303-Q309 HydrophobicContact CB-CB 4.33Å; A303-Q309 HydrophobicContact CB-CG 3.7Å; E306-Q309 VanDerWaalsContact O-CB 3.29Å; E306-Q309 WeakPolarHBondContact O-CB 3.47Å; E306-Q309 WeakPolarHBondContact O-CG 3.47Å; E306-Q309 PolarHBondContact O-N 3.15Å; E306-Q309 VanDerWaalsContact O-N 3.12Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.5Å
310G85.7Confident87.9Confident3 Ų357.3 Ų57.33%0.03127%0.272CS..SBendtrans72.621.1174.500000114.4Y25 G26 G27Y25-G310 VanDerWaalsContact CB-O 3.3Å; Y25-G310 WeakPolarHBondContact CB-O 3.43Å; G26-G310 PolarHBondContact O-N 3.46Å; G27-G310 WeakPolarHBondContact O-CA 3.29Å; G27-G310 PolarHBondContact O-N 2.99Å
311V92.5Very high86.3Confident15 Ų1564.6 Ų64.69%0.09131%0.311CS..  trans-85.2116.2177.2-179.50000110D21 S300 D308 Q309 R313D21-V311 HydrophobicContact CB-CG1 4Å; S300-V311 PolarHBondContact OG-O 2.85Å; D308-V311 WeakPolarHBondContact O-CG2 3.44Å; Q309-V311 VanDerWaalsContact C-N 3.31Å; Q309-V311 PolarHBondContact O-N 3.5Å; V311-R313 HydrophobicContact CG1-CG 4.13Å
312I94.8Very high84.3Confident0 Ų072.1 Ų72.10%035%0.349CS..EExtended strand (participates in β ladder)trans-88.9133167.3-63175000108F22 Y25 I29 L32 L41 Y53 L60F22-I312 WeakPolarHBondContact CB-O 3.43Å; F22-I312 PolarHBondContact N-O 3.37Å; F22-I312 PolarHBondContact O-N 3.5Å; Y25-I312 HydrophobicContact CD2-CB 4.34Å; Y25-I312 HydrophobicContact CD2-CD1 3.88Å; Y25-I312 HydrophobicContact CD2-CG1 4.01Å; Y25-I312 HydrophobicContact CE2-CB 4.32Å; Y25-I312 HydrophobicContact CE2-CD1 4.14Å; Y25-I312 HydrophobicContact CE2-CG1 4.39Å; I29-I312 HydrophobicContact CD1-CD1 4.08Å; I29-I312 HydrophobicContact CD1-CG1 3.37Å; L32-I312 HydrophobicContact CD2-CD1 3.84Å; L32-I312 HydrophobicContact CD2-CG1 4.13Å; L41-I312 HydrophobicContact CD2-CD1 4.13Å; L41-I312 HydrophobicContact CD2-CG2 3.85Å; Y53-I312 HydrophobicContact CD2-CD1 4.01Å; Y53-I312 HydrophobicContact CE1-CD1 4.29Å; Y53-I312 HydrophobicContact CE2-CD1 3.34Å; Y53-I312 VanDerWaalsContact CZ-CD1 3.49Å; L60-I312 HydrophobicContact CD1-CG2 3.96Å
313R95.3Very high84.1Confident28 Ų2871.5 Ų71.511%0.10635%0.347CS..EExtended strand (participates in β ladder)trans-112.5141.8175.2-60.9-166.7169.381.712.2110.2V19 K20 D21 S298 Y299 V311V19-R313 HydrophobicContact CG1-CB 3.94Å; V19-R313 HydrophobicContact CG1-CG 4.42Å; K20-R313 WeakPolarHBondContact O-CA 3.3Å; D21-R313 VanDerWaalsContact OD1-CD 3.3Å; D21-R313 WeakPolarHBondContact OD1-CD 3.38Å; D21-R313 WeakPolarHBondContact OD1-CG 3.13Å; D21-R313 IonicContact OD1-NE 3.2Å; D21-R313 PolarHBondContact OD1-NE 3.22Å; D21-R313 VanDerWaalsContact OD1-NE 3.13Å; D21-R313 IonicContact OD2-CZ 2.9Å; D21-R313 IonicContact OD2-NE 2.83Å; D21-R313 PolarHBondContact OD2-NE 2.86Å; D21-R313 IonicContact OD2-NH2 3.7Å; D21-R313 PolarHBondContact OD2-NH2 3.27Å; D21-R313 VanDerWaalsContact OD2-NH2 3.08Å; S298-R313 CarbonylContact C-O 3.56Å; S298-R313 WeakPolarHBondContact CA-O 3.18Å; Y299-R313 HydrophobicContact CD1-CB 3.94Å; Y299-R313 HydrophobicContact CD2-CB 4.12Å; Y299-R313 HydrophobicContact CE1-CB 3.53Å; Y299-R313 HydrophobicContact CE2-CB 3.76Å; Y299-R313 HydrophobicContact CE2-CG 4.12Å; Y299-R313 HydrophobicContact CG-CB 4.22Å; Y299-R313 VanDerWaalsContact CZ-CB 3.46Å; Y299-R313 PolarHBondContact N-O 2.53Å; Y299-R313 PolarHBondContact O-N 2.98Å; V311-R313 HydrophobicContact CG1-CG 4.13Å
314L96.4Very high84Confident0 Ų074 Ų740%036%0.355CS..EExtended strand (participates in β ladder)trans-119.7109.7174.7-170.465.6000109.3V19 K20 F22 W34 L55 L296 L317V19-L314 WeakPolarHBondContact CA-O 3.23Å; K20-L314 PolarHBondContact N-O 3.04Å; K20-L314 PolarHBondContact O-N 3.4Å; F22-L314 HydrophobicContact CE2-CB 3.76Å; F22-L314 HydrophobicContact CE2-CD2 4.41Å; W34-L314 HydrophobicContact CZ2-CD1 4.1Å; L55-L314 HydrophobicContact CD1-CD2 3.99Å; L296-L314 HydrophobicContact CB-CD1 4.09Å; L296-L314 HydrophobicContact CD1-CD2 4.49Å; L314-L317 HydrophobicContact CD2-CD2 4.2Å
315F97.5Very high84.2Confident1 Ų168.4 Ų68.40%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-94.3156.7172.9168.6-100.1000110.9F13 V19 I266 Y276 V278 L296 L297 Y299F13-F315 AromaticContact CD1-CE1 3.5Å; F13-F315 HydrophobicContact CD1-CE1 3.5Å; F13-F315 VanDerWaalsContact CD1-CE1 3.5Å; F13-F315 AromaticContact CD1-CZ 3.51Å; F13-F315 HydrophobicContact CD1-CZ 3.51Å; F13-F315 AromaticContact CE1-CE1 3.54Å; F13-F315 HydrophobicContact CE1-CE1 3.54Å; F13-F315 HydrophobicContact CE1-CZ 4.06Å; F13-F315 HydrophobicContact CG-CZ 4.32Å; V19-F315 HydrophobicContact CG2-CB 4.13Å; V19-F315 HydrophobicContact CG2-CD2 3.84Å; V19-F315 HydrophobicContact CG2-CG 4.49Å; I266-F315 HydrophobicContact CD1-CD1 4.09Å; I266-F315 HydrophobicContact CD1-CE1 3.42Å; I266-F315 VanDerWaalsContact CD1-CE1 3.42Å; I266-F315 HydrophobicContact CD1-CZ 4.16Å; Y276-F315 AromaticContact CD1-CE2 3.95Å; Y276-F315 HydrophobicContact CD1-CE2 3.95Å; Y276-F315 AromaticContact CD1-CZ 3.52Å; Y276-F315 HydrophobicContact CD1-CZ 3.52Å; Y276-F315 AromaticContact CE1-CE2 3.69Å; Y276-F315 HydrophobicContact CE1-CE2 3.69Å; Y276-F315 AromaticContact CE1-CZ 3.75Å; Y276-F315 HydrophobicContact CE1-CZ 3.75Å; Y276-F315 HydrophobicContact CG-CZ 4.38Å; V278-F315 HydrophobicContact CB-CD2 4.36Å; V278-F315 HydrophobicContact CB-CG 4.48Å; V278-F315 HydrophobicContact CG1-CB 4.1Å; V278-F315 HydrophobicContact CG1-CD2 3.65Å; V278-F315 HydrophobicContact CG1-CE2 4.22Å; V278-F315 HydrophobicContact CG1-CG 3.84Å; V278-F315 HydrophobicContact CG2-CD1 3.65Å; V278-F315 HydrophobicContact CG2-CD2 3.81Å; V278-F315 HydrophobicContact CG2-CE1 3.61Å; V278-F315 HydrophobicContact CG2-CE2 3.75Å; V278-F315 HydrophobicContact CG2-CG 3.75Å; V278-F315 HydrophobicContact CG2-CZ 3.65Å; L296-F315 WeakPolarHBondContact CA-O 3.29Å; L297-F315 HydrophobicContact CB-CB 4.35Å; L297-F315 HydrophobicContact CB-CD1 4.11Å; L297-F315 PolarHBondContact N-O 3.3Å; L297-F315 PolarHBondContact O-N 2.78Å; Y299-F315 HydrophobicContact CE1-CB 3.92Å
316G96.8Very high84.5Confident2 Ų265.6 Ų65.62%0.02133%0.325CS..EExtended strand (participates in β ladder)trans102.910.2176.400000113.9N16 R18 Y295 L296N16-G316 CarbonylContact O-C 3.57Å; N16-G316 WeakPolarHBondContact O-CA 3.34Å; R18-G316 PolarHBondContact O-N 3.09Å; Y295-G316 WeakPolarHBondContact O-CA 3.47Å; L296-G316 WeakPolarHBondContact CD2-O 3.37Å
317L95.4Very high85.3Confident5 Ų559.4 Ų59.43%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-82.4146.6179.3-59.3176000110.6N16 S17 R18 K20 T58 L296 L314 N319N16-L317 CarbonylContact C-O 3.26Å; N16-L317 WeakPolarHBondContact CA-O 3.35Å; S17-L317 PolarHBondContact N-O 3.09Å; R18-L317 HydrophobicContact CB-CB 4.11Å; R18-L317 WeakPolarHBondContact CB-O 3.45Å; R18-L317 PolarHBondContact N-O 3.11Å; R18-L317 VanDerWaalsContact N-O 3.12Å; R18-L317 PolarHBondContact O-N 3.27Å; K20-L317 HydrophobicContact CB-CD1 3.7Å; K20-L317 HydrophobicContact CD-CD1 4.35Å; T58-L317 HydrophobicContact CG2-CD2 3.93Å; L296-L317 HydrophobicContact CD2-CD2 3.87Å; L314-L317 HydrophobicContact CD2-CD2 4.2Å; L317-N319 PolarHBondContact O-N 3.14Å
318V93Very high86Confident84 Ų8449.7 Ų49.751%0.50927%0.265SS..PPolyproline II helixtrans-56136173.7-176.40000109.8N16 R18N16-V318 VanDerWaalsContact OD1-CG2 3.27Å; N16-V318 WeakPolarHBondContact OD1-CG2 3.26Å; R18-V318 PolarHBondContact NE-O 2.66Å; R18-V318 PolarHBondContact NH2-O 3.22Å
319N87.7Confident86.4Confident32 Ų3248 Ų4817%0.17126%0.256CS..PPolyproline II helixtrans-72.7122.3169.3-62.3-26.2000108.1L14 K15 S17 R18 L317 D321 L322L14-N319 PolarHBondContact O-ND2 3.13Å; K15-N319 PolarHBondContact O-N 3.38Å; K15-N319 PolarHBondContact O-ND2 3.02Å; S17-N319 PolarHBondContact N-OD1 3.02Å; S17-N319 PolarHBondContact OG-ND2 3.39Å; S17-N319 PolarHBondContact OG-OD1 3.29Å; R18-N319 PolarHBondContact N-OD1 2.78Å; R18-N319 VanDerWaalsContact N-OD1 3.12Å; L317-N319 PolarHBondContact O-N 3.14Å; N319-D321 PolarHBondContact O-N 3.2Å; N319-D321 VanDerWaalsContact O-N 3.1Å; N319-L322 HydrophobicContact CB-CD1 4.13Å; N319-L322 HydrophobicContact CB-CG 4.5Å; N319-L322 PolarHBondContact O-N 2.72Å
320D75.8Confident86.5Confident118 Ų11847.5 Ų47.563%0.63126%0.257SS*.THydrogen-bonded Turntrans-67.2-11.5-175.8-60.6-34.6000112.6R18R18-D320 IonicContact CZ-OD1 2.66Å; R18-D320 IonicContact CZ-OD2 3.32Å; R18-D320 IonicContact NH1-OD1 3.19Å; R18-D320 IonicContact NH1-OD2 2.72Å; R18-D320 PolarHBondContact NH1-OD2 3.01Å; R18-D320 IonicContact NH2-OD1 3.34Å; R18-D320 PolarHBondContact NH2-OD1 3.28Å; R18-D320 IonicContact NH2-OD2 3.56Å; R18-D320 PolarHBondContact NH2-OD2 3.47Å
321D61.9Low86.6Confident160 Ų16051.3 Ų51.386%0.85628%0.275SS*.THydrogen-bonded Turntrans-98.28.9-175-58.1-40.3000115N319N319-D321 PolarHBondContact O-N 3.2Å; N319-D321 VanDerWaalsContact O-N 3.1Å
322L52Low86.1Confident170 Ų17054.5 Ų54.589%0.8929%0.292SS*.  trans-116.60-178.8-76.8171.6000114.4K15 N319K15-L322 HydrophobicContact CB-CD1 4.26Å; K15-L322 HydrophobicContact CG-CD1 4.09Å; N319-L322 HydrophobicContact CB-CD1 4.13Å; N319-L322 HydrophobicContact CB-CG 4.5Å; N319-L322 PolarHBondContact O-N 2.72Å

Retrieved 322 of 322 residues in 129.6 ms (Link to these results)

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