A0A077YVR6_TRITR Loading...

molybdopterin adenylyltransferase

Catalyzes two steps in the biosynthesis of the molybdenum cofactor. In the first step, molybdopterin is adenylated. Subsequently, molybdate is inserted into adenylated molybdopterin and AMP is released.

AlphaFold DB , UniProt , Accession A0A077YVR6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 347 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
1M87.8Confident95.6Very high122 Ų12254.5 Ų54.560%0.60128%0.281SS*.  0133.70-65.4-177.6-75.600105.7R207 F209 K214M1-R207 HydrophobicContact CB-CB 4.41Å; M1-R207 HydrophobicContact CG-CB 3.81Å; M1-R207 HydrophobicContact SD-CB 4.5Å; M1-F209 HydrophobicContact CB-CB 4.05Å; M1-F209 HydrophobicContact CE-CD2 3.71Å; M1-F209 HydrophobicContact CE-CE2 4.18Å; M1-F209 HydrophobicContact SD-CD2 4.44Å; M1-K214 HydrophobicContact SD-CD 4.21Å; M1-K214 HydrophobicContact SD-CG 4.16Å
2L92.8Very high95.6Very high54 Ų5455.4 Ų55.428%0.28328%0.281SS..BIsolated β-bridgetrans-81.2138.3179.1-70.5177.3000110.1E6 A7 V10 F205 R207 V208 F209L2-E6 HydrophobicContact CD2-CB 4.41Å; L2-A7 HydrophobicContact CB-CB 4.38Å; L2-V10 HydrophobicContact CD1-CG2 4.34Å; L2-F205 HydrophobicContact CD1-CB 3.7Å; L2-F205 HydrophobicContact CD1-CD1 3.85Å; L2-F205 HydrophobicContact CD1-CG 4.04Å; L2-F205 HydrophobicContact CG-CB 4.41Å; L2-R207 PolarHBondContact N-O 3Å; L2-V208 CarbonylContact O-C 3.56Å; L2-V208 WeakPolarHBondContact O-CA 3.33Å; L2-F209 PolarHBondContact O-N 3.08Å
3P96.3Very high95.7Very high57 Ų5759.4 Ų59.437%0.3730%0.298SS..  trans-52.3156.5159.3-26.237.3000111.6D5 E6 A7P3-D5 WeakPolarHBondContact CB-OD1 3.45Å; P3-D5 PolarHBondContact O-N 3.12Å; P3-E6 HydrophobicContact CB-CB 4.4Å; P3-E6 HydrophobicContact CB-CG 4.34Å; P3-E6 HydrophobicContact CG-CG 4.35Å; P3-E6 PolarHBondContact O-N 3.28Å; P3-A7 WeakPolarHBondContact O-CB 3.48Å; P3-A7 PolarHBondContact O-N 3.36Å
4V96.1Very high95.8Very high13 Ų1357.6 Ų57.68%0.07929%0.288CS..Hα-helixtrans-65.1-41-175.7177.40000112A7 L8 V208 M210 V246 Y282V4-A7 WeakPolarHBondContact O-CB 3.36Å; V4-A7 PolarHBondContact O-N 2.64Å; V4-L8 HydrophobicContact CG1-CD1 4.29Å; V4-L8 PolarHBondContact O-N 3.27Å; V4-V208 HydrophobicContact CB-CG1 4.35Å; V4-V208 HydrophobicContact CG2-CG1 3.62Å; V4-M210 HydrophobicContact CG2-CB 3.8Å; V4-M210 HydrophobicContact CG2-CG 4.39Å; V4-M210 HydrophobicContact CG2-SD 4.01Å; V4-V246 HydrophobicContact CG1-CG1 3.45Å; V4-V246 VanDerWaalsContact CG1-CG1 3.45Å; V4-Y282 WeakPolarHBondContact CG1-OH 3.3Å; V4-Y282 HydrophobicContact CG2-CE2 3.97Å
5D95.3Very high95.9Very high88 Ų8854.3 Ų54.347%0.47127%0.272SS..Hα-helixtrans-62.7-41.5177.260.6-45.5000111.7P3 L8 K9P3-D5 WeakPolarHBondContact CB-OD1 3.45Å; P3-D5 PolarHBondContact O-N 3.12Å; D5-L8 PolarHBondContact O-N 2.88Å; D5-K9 VanDerWaalsContact O-CG 3.32Å; D5-K9 WeakPolarHBondContact O-CG 3.31Å; D5-K9 PolarHBondContact O-N 3.28Å
6E97.5Very high95.7Very high74 Ų7459.8 Ų59.835%0.34629%0.293SS..Hα-helixtrans-67.2-39173.1-68.2-57.5136.300112.3L2 P3 L8 K9 V10L2-E6 HydrophobicContact CD2-CB 4.41Å; P3-E6 HydrophobicContact CB-CB 4.4Å; P3-E6 HydrophobicContact CB-CG 4.34Å; P3-E6 HydrophobicContact CG-CG 4.35Å; P3-E6 PolarHBondContact O-N 3.28Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.11Å; E6-K9 PolarHBondContact O-N 3.38Å; E6-K9 IonicContact OE1-NZ 3.87Å; E6-K9 PolarHBondContact OE1-NZ 3.35Å; E6-V10 WeakPolarHBondContact O-CG2 3.45Å; E6-V10 PolarHBondContact O-N 3.24Å
7A97.5Very high95.5Very high0 Ų060.1 Ų60.10%030%0.3CS..Hα-helixtrans-61.3-42.4174.300000111.7L2 P3 V4 V10 I11 F205 V208L2-A7 HydrophobicContact CB-CB 4.38Å; P3-A7 WeakPolarHBondContact O-CB 3.48Å; P3-A7 PolarHBondContact O-N 3.36Å; V4-A7 WeakPolarHBondContact O-CB 3.36Å; V4-A7 PolarHBondContact O-N 2.64Å; A7-V10 PolarHBondContact O-N 3Å; A7-I11 WeakPolarHBondContact O-CG1 3.26Å; A7-I11 PolarHBondContact O-N 2.91Å; A7-F205 HydrophobicContact CB-CD1 4.28Å; A7-F205 HydrophobicContact CB-CE1 3.79Å; A7-F205 HydrophobicContact CB-CE2 4.35Å; A7-F205 HydrophobicContact CB-CZ 3.83Å; A7-V208 HydrophobicContact CB-CG1 4.34Å; A7-V208 HydrophobicContact CB-CG2 4.1Å
8L96.2Very high95.5Very high36 Ų3657.8 Ų57.819%0.18829%0.287CS..Hα-helixtrans-64.3-42.8175.1-79.4174.1000112.5V4 D5 E6 V10 I11 F12 V246 P250V4-L8 HydrophobicContact CG1-CD1 4.29Å; V4-L8 PolarHBondContact O-N 3.27Å; D5-L8 PolarHBondContact O-N 2.88Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.11Å; L8-V10 VanDerWaalsContact C-N 3.32Å; L8-V10 PolarHBondContact O-N 3.18Å; L8-I11 HydrophobicContact CD2-CD1 4.37Å; L8-I11 PolarHBondContact O-N 3.49Å; L8-F12 HydrophobicContact CB-CE2 4.34Å; L8-F12 HydrophobicContact CD2-CE1 4.27Å; L8-F12 HydrophobicContact CD2-CZ 3.96Å; L8-F12 WeakPolarHBondContact O-CB 3.24Å; L8-F12 WeakPolarHBondContact O-CD2 3.45Å; L8-F12 VanDerWaalsContact O-CG 3.22Å; L8-F12 WeakPolarHBondContact O-CG 3.42Å; L8-F12 PolarHBondContact O-N 2.85Å; L8-V246 WeakPolarHBondContact CD2-O 3.4Å; L8-P250 HydrophobicContact CD2-CB 4.45Å
9K97Very high95.3Very high113 Ų11361.8 Ų61.849%0.49131%0.305SS..Hα-helixtrans-57.6-45.5174.3-73.1171.2-166.2168.20111.4D5 E6 F12 E13D5-K9 VanDerWaalsContact O-CG 3.32Å; D5-K9 WeakPolarHBondContact O-CG 3.31Å; D5-K9 PolarHBondContact O-N 3.28Å; E6-K9 PolarHBondContact O-N 3.38Å; E6-K9 IonicContact OE1-NZ 3.87Å; E6-K9 PolarHBondContact OE1-NZ 3.35Å; K9-F12 PolarHBondContact O-N 3.1Å; K9-E13 WeakPolarHBondContact O-CB 3.26Å; K9-E13 PolarHBondContact O-N 3.33Å
10V98Very high95.1Very high43 Ų4364 Ų6426%0.26131%0.313SS..Hα-helixtrans-62.1-44.8177.3170.90000111.5L2 E6 A7 L8 E13 E14 H204 F205L2-V10 HydrophobicContact CD1-CG2 4.34Å; E6-V10 WeakPolarHBondContact O-CG2 3.45Å; E6-V10 PolarHBondContact O-N 3.24Å; A7-V10 PolarHBondContact O-N 3Å; L8-V10 VanDerWaalsContact C-N 3.32Å; L8-V10 PolarHBondContact O-N 3.18Å; V10-E13 PolarHBondContact O-N 3.35Å; V10-E14 PolarHBondContact O-N 3.42Å; V10-H204 HydrophobicContact CG1-CB 3.71Å; V10-F205 HydrophobicContact CG1-CD1 4.26Å; V10-F205 HydrophobicContact CG1-CE1 4.45Å
11I97.5Very high95Very high0 Ų064.2 Ų64.20%031%0.313CS..Hα-helixtrans-57.4-54.1174.8-68.8159.8000109.9A7 L8 E13 E14 L15 F205 F218 F231 C247 A251A7-I11 WeakPolarHBondContact O-CG1 3.26Å; A7-I11 PolarHBondContact O-N 2.91Å; L8-I11 HydrophobicContact CD2-CD1 4.37Å; L8-I11 PolarHBondContact O-N 3.49Å; I11-E13 VanDerWaalsContact C-N 3.29Å; I11-E13 PolarHBondContact O-N 2.82Å; I11-E14 PolarHBondContact O-N 2.85Å; I11-L15 HydrophobicContact CG2-CD1 3.97Å; I11-L15 HydrophobicContact CG2-CG 4.18Å; I11-L15 VanDerWaalsContact O-CG 3.32Å; I11-L15 WeakPolarHBondContact O-CG 3.46Å; I11-L15 PolarHBondContact O-N 3.49Å; I11-F205 HydrophobicContact CD1-CE1 4.27Å; I11-F205 HydrophobicContact CD1-CZ 3.92Å; I11-F205 HydrophobicContact CG1-CE1 4.01Å; I11-F205 HydrophobicContact CG1-CZ 4.09Å; I11-F218 HydrophobicContact CB-CD1 4.46Å; I11-F218 HydrophobicContact CB-CE1 4.25Å; I11-F218 HydrophobicContact CB-CZ 4.42Å; I11-F218 HydrophobicContact CG1-CB 4.31Å; I11-F218 HydrophobicContact CG1-CD1 3.68Å; I11-F218 HydrophobicContact CG1-CD2 4.15Å; I11-F218 HydrophobicContact CG1-CE1 3.95Å; I11-F218 HydrophobicContact CG1-CE2 4.37Å; I11-F218 HydrophobicContact CG1-CG 3.79Å; I11-F218 HydrophobicContact CG1-CZ 4.27Å; I11-F218 HydrophobicContact CG2-CE2 4.4Å; I11-F218 HydrophobicContact CG2-CZ 4.21Å; I11-F231 HydrophobicContact CD1-CE1 3.95Å; I11-F231 HydrophobicContact CG1-CE1 4.27Å; I11-F231 HydrophobicContact CG2-CZ 4.19Å; I11-C247 HydrophobicContact CD1-CB 4.12Å; I11-A251 HydrophobicContact CG2-CB 3.69Å
12F95.9Very high95.4Very high65 Ų6561.5 Ų61.529%0.28531%0.306SS..Hα-helixtrans-64.7-31.2-175.1-63.9-18.2000113.3L8 K9 L15 K16 P250 R254L8-F12 HydrophobicContact CB-CE2 4.34Å; L8-F12 HydrophobicContact CD2-CE1 4.27Å; L8-F12 HydrophobicContact CD2-CZ 3.96Å; L8-F12 WeakPolarHBondContact O-CB 3.24Å; L8-F12 WeakPolarHBondContact O-CD2 3.45Å; L8-F12 VanDerWaalsContact O-CG 3.22Å; L8-F12 WeakPolarHBondContact O-CG 3.42Å; L8-F12 PolarHBondContact O-N 2.85Å; K9-F12 PolarHBondContact O-N 3.1Å; F12-L15 HydrophobicContact CD1-CD1 4.23Å; F12-K16 PolarHBondContact O-N 3.11Å; F12-P250 HydrophobicContact CE1-CB 4.21Å; F12-P250 HydrophobicContact CZ-CB 4Å; F12-R254 HydrophobicContact CD1-CB 4.33Å; F12-R254 HydrophobicContact CD1-CG 4.13Å; F12-R254 HydrophobicContact CE1-CB 4.29Å; F12-R254 HydrophobicContact CE1-CG 4.48Å
13E97.1Very high95.6Very high107 Ų10761.4 Ų61.450%0.531%0.307SS..Hα-helixtrans-65.6-47173.6-166.760.3-140.300111.3K9 V10 I11 L15 K16K9-E13 WeakPolarHBondContact O-CB 3.26Å; K9-E13 PolarHBondContact O-N 3.33Å; V10-E13 PolarHBondContact O-N 3.35Å; I11-E13 VanDerWaalsContact C-N 3.29Å; I11-E13 PolarHBondContact O-N 2.82Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.04Å; E13-K16 VanDerWaalsContact O-CB 3.32Å; E13-K16 WeakPolarHBondContact O-CB 3.47Å; E13-K16 PolarHBondContact O-N 3.31Å; E13-K16 VanDerWaalsContact O-N 3.14Å; E13-K16 WeakPolarHBondContact OE1-CD 3.41Å; E13-K16 IonicContact OE1-NZ 2.88Å; E13-K16 PolarHBondContact OE1-NZ 3.24Å; E13-K16 WeakPolarHBondContact OE2-CE 3.31Å; E13-K16 IonicContact OE2-NZ 2.67Å; E13-K16 PolarHBondContact OE2-NZ 3.05Å
14E97.2Very high95.7Very high35 Ų3563.8 Ų63.816%0.16432%0.317CS..Hα-helixtrans-66.1-34.8179.1-73.7-71.315000112.3V10 I11 K16 T17 H204 F218 S220 K227 F229V10-E14 PolarHBondContact O-N 3.42Å; I11-E14 PolarHBondContact O-N 2.85Å; E14-K16 PolarHBondContact O-N 2.65Å; E14-T17 PolarHBondContact O-N 3.5Å; E14-T17 VanDerWaalsContact O-N 3.09Å; E14-T17 PolarHBondContact O-OG1 3.32Å; E14-H204 VanDerWaalsContact CD-NE2 3.28Å; E14-H204 VanDerWaalsContact CG-CE1 3.44Å; E14-H204 WeakPolarHBondContact CG-CE1 3.37Å; E14-H204 WeakPolarHBondContact CG-NE2 3.14Å; E14-H204 IonicContact OE1-CE1 3.79Å; E14-H204 PolarHBondContact OE1-CE1 2.77Å; E14-H204 IonicContact OE1-ND1 3.89Å; E14-H204 IonicContact OE1-NE2 2.78Å; E14-H204 IonicContact OE2-CE1 2.85Å; E14-H204 PolarHBondContact OE2-CE1 2.54Å; E14-H204 IonicContact OE2-NE2 3.02Å; E14-H204 PolarHBondContact OE2-NE2 2.62Å; E14-F218 HydrophobicContact CB-CE1 3.95Å; E14-F218 HydrophobicContact CB-CZ 4.17Å; E14-F218 HydrophobicContact CG-CE1 4.18Å; E14-S220 PolarHBondContact OE2-OG 2.85Å; E14-K227 IonicContact OE2-NZ 3.8Å; E14-K227 PolarHBondContact OE2-NZ 3.29Å; E14-F229 HydrophobicContact CB-CE1 4.19Å
15L95.9Very high95.7Very high7 Ų765.1 Ų65.14%0.03732%0.323CS..Hα-helixtrans-64-19.3175.3-68.5-177.4000113.6I11 F12 E13 T17 Y18 F229 A251 R254 M255I11-L15 HydrophobicContact CG2-CD1 3.97Å; I11-L15 HydrophobicContact CG2-CG 4.18Å; I11-L15 VanDerWaalsContact O-CG 3.32Å; I11-L15 WeakPolarHBondContact O-CG 3.46Å; I11-L15 PolarHBondContact O-N 3.49Å; F12-L15 HydrophobicContact CD1-CD1 4.23Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.04Å; L15-T17 PolarHBondContact O-N 3.31Å; L15-Y18 VanDerWaalsContact O-CB 3.23Å; L15-Y18 WeakPolarHBondContact O-CB 3.48Å; L15-Y18 PolarHBondContact O-N 3.46Å; L15-F229 HydrophobicContact CD2-CD1 4.09Å; L15-F229 HydrophobicContact CD2-CD2 3.95Å; L15-F229 HydrophobicContact CD2-CE1 3.85Å; L15-F229 HydrophobicContact CD2-CE2 3.72Å; L15-F229 HydrophobicContact CD2-CG 4.13Å; L15-F229 HydrophobicContact CD2-CZ 3.65Å; L15-A251 HydrophobicContact CD1-CB 3.9Å; L15-A251 WeakPolarHBondContact CD1-O 3.5Å; L15-R254 HydrophobicContact CD1-CB 3.99Å; L15-R254 HydrophobicContact CD1-CG 4.25Å; L15-M255 HydrophobicContact CD1-CG 4.03Å; L15-M255 HydrophobicContact CD2-CG 3.59Å; L15-M255 HydrophobicContact CD2-SD 3.8Å; L15-M255 HydrophobicContact CG-CG 4.31Å
16K94.1Very high95.9Very high142 Ų14263.8 Ų63.862%0.61732%0.319SS*.THydrogen-bonded Turntrans-63.1-22.5173.1-64.5176.6-175.1169.40112.6F12 E13 E14 Y18F12-K16 PolarHBondContact O-N 3.11Å; E13-K16 VanDerWaalsContact O-CB 3.32Å; E13-K16 WeakPolarHBondContact O-CB 3.47Å; E13-K16 PolarHBondContact O-N 3.31Å; E13-K16 VanDerWaalsContact O-N 3.14Å; E13-K16 WeakPolarHBondContact OE1-CD 3.41Å; E13-K16 IonicContact OE1-NZ 2.88Å; E13-K16 PolarHBondContact OE1-NZ 3.24Å; E13-K16 WeakPolarHBondContact OE2-CE 3.31Å; E13-K16 IonicContact OE2-NZ 2.67Å; E13-K16 PolarHBondContact OE2-NZ 3.05Å; E14-K16 PolarHBondContact O-N 2.65Å; K16-Y18 VanDerWaalsContact C-N 3.3Å
17T92.3Very high95.8Very high66 Ų6660.4 Ų60.441%0.40530%0.304SS..THydrogen-bonded Turntrans-85.6-2.4176.568.30000113.2E14 L15 E19 K227E14-T17 PolarHBondContact O-N 3.5Å; E14-T17 VanDerWaalsContact O-N 3.09Å; E14-T17 PolarHBondContact O-OG1 3.32Å; L15-T17 PolarHBondContact O-N 3.31Å; T17-E19 PolarHBondContact O-N 3.32Å; T17-K227 WeakPolarHBondContact OG1-CD 3.42Å; T17-K227 WeakPolarHBondContact OG1-CE 3.45Å
18Y94.6Very high95.6Very high18 Ų1866.4 Ų66.47%0.07134%0.336CS..SBendtrans-74.9123.7174-178.7-116.4000110.8L15 K16 K20 D175 F229 M255L15-Y18 VanDerWaalsContact O-CB 3.23Å; L15-Y18 WeakPolarHBondContact O-CB 3.48Å; L15-Y18 PolarHBondContact O-N 3.46Å; K16-Y18 VanDerWaalsContact C-N 3.3Å; Y18-K20 HydrophobicContact CD1-CG 4.02Å; Y18-K20 HydrophobicContact CE1-CG 4.37Å; Y18-K20 PolarHBondContact O-N 3.01Å; Y18-K20 VanDerWaalsContact O-N 3.13Å; Y18-D175 HydrophobicContact CE2-CB 3.89Å; Y18-D175 PolarHBondContact OH-OD2 2.94Å; Y18-F229 AromaticContact CD2-CE2 3.85Å; Y18-F229 HydrophobicContact CD2-CE2 3.85Å; Y18-F229 HydrophobicContact CG-CE2 4.11Å; Y18-M255 HydrophobicContact CD1-CB 4.14Å; Y18-M255 HydrophobicContact CD1-CE 3.73Å; Y18-M255 HydrophobicContact CD1-CG 4.2Å; Y18-M255 HydrophobicContact CD2-CE 3.6Å; Y18-M255 HydrophobicContact CE1-CB 4.14Å; Y18-M255 HydrophobicContact CE1-CE 3.63Å; Y18-M255 HydrophobicContact CE2-CE 3.49Å; Y18-M255 VanDerWaalsContact CE2-CE 3.49Å; Y18-M255 HydrophobicContact CG-CE 3.71Å
19E92.4Very high95.6Very high134 Ų13468.4 Ų68.463%0.62635%0.353SS*.  trans-76.998.7175.7-169.6-176.2-178.700110.4T17 Q21T17-E19 PolarHBondContact O-N 3.32Å; E19-Q21 PolarHBondContact O-N 3.19Å
20K91Very high95.5Very high106 Ų10663 Ų6346%0.46133%0.329SS..  trans-68.5126.5177.8-64.5177.9-177.8169.10110.4Y18 M255Y18-K20 HydrophobicContact CD1-CG 4.02Å; Y18-K20 HydrophobicContact CE1-CG 4.37Å; Y18-K20 PolarHBondContact O-N 3.01Å; Y18-K20 VanDerWaalsContact O-N 3.13Å; K20-M255 WeakPolarHBondContact CE-O 3.34Å
21Q93.3Very high95.3Very high69 Ų6965.2 Ų65.232%0.32234%0.339SS..  trans-94.3139172.5-64.1-176.3-18.200109.6E19 K105E19-Q21 PolarHBondContact O-N 3.19Å; Q21-K105 HydrophobicContact CB-CB 4.02Å; Q21-K105 HydrophobicContact CB-CD 4.12Å; Q21-K105 WeakPolarHBondContact O-CB 3.48Å; Q21-K105 PolarHBondContact O-N 2.84Å; Q21-K105 VanDerWaalsContact OE1-CD 3.3Å
22S95.9Very high95.2Very high65 Ų6567.4 Ų67.446%0.45535%0.351SS..EExtended strand (participates in β ladder)trans-107145.6171.3-61.70000110.3T36 V103S22-T36 WeakPolarHBondContact OG-CB 3.49Å; S22-T36 WeakPolarHBondContact OG-CG2 3.24Å; S22-T36 PolarHBondContact OG-OG1 2.99Å; S22-V103 CarbonylContact C-O 3.53Å; S22-V103 VanDerWaalsContact CA-O 3.29Å; S22-V103 WeakPolarHBondContact CA-O 3.32Å
23V96.9Very high95.2Very high51 Ų5165.9 Ų65.931%0.30935%0.345SS..EExtended strand (participates in β ladder)trans-128.3144.9172.9-66.90000109.2L25 K102 V103 K105V23-L25 HydrophobicContact CG2-CD1 4.34Å; V23-L25 HydrophobicContact CG2-CD2 4.39Å; V23-L25 HydrophobicContact CG2-CG 4.06Å; V23-K102 WeakPolarHBondContact O-CA 3.34Å; V23-V103 HydrophobicContact CG2-CG2 3.93Å; V23-V103 PolarHBondContact N-O 2.9Å; V23-V103 PolarHBondContact O-N 3.37Å; V23-K105 HydrophobicContact CG1-CB 4.34Å
24L97.6Very high95.1Very high107 Ų10760.8 Ų60.856%0.5632%0.321SS*.EExtended strand (participates in β ladder)trans-87.3122.4171.7-170.573000107.8D100 K102L24-D100 HydrophobicContact CD1-CB 3.86Å; L24-D100 HydrophobicContact CD2-CB 4.2Å; L24-D100 HydrophobicContact CG-CB 3.91Å; L24-K102 HydrophobicContact CD1-CG 3.76Å
25L97.4Very high95.1Very high41 Ų4159.2 Ų59.222%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-124.6146.8177.2-65.4-177.1000110.7V23 A30 D100 V101 V103V23-L25 HydrophobicContact CG2-CD1 4.34Å; V23-L25 HydrophobicContact CG2-CD2 4.39Å; V23-L25 HydrophobicContact CG2-CG 4.06Å; L25-A30 HydrophobicContact CB-CB 4.26Å; L25-D100 CarbonylContact O-C 3.57Å; L25-D100 VanDerWaalsContact O-CA 3.3Å; L25-D100 WeakPolarHBondContact O-CA 3.28Å; L25-V101 PolarHBondContact N-O 3.41Å; L25-V101 PolarHBondContact O-N 3.14Å; L25-V103 HydrophobicContact CB-CG2 4.41Å; L25-V103 HydrophobicContact CD1-CG2 3.64Å; L25-V103 HydrophobicContact CG-CG2 3.95Å
26P97.6Very high95.1Very high61 Ų6161.2 Ų61.240%0.39633%0.326SS..EExtended strand (participates in β ladder)trans-56.1142164.5-22.533.5000110.4D28 S29 A30 R99P26-D28 PolarHBondContact O-N 2.96Å; P26-S29 CarbonylContact O-C 3.51Å; P26-S29 WeakPolarHBondContact O-CA 3.47Å; P26-S29 PolarHBondContact O-N 3.46Å; P26-A30 PolarHBondContact O-N 3.11Å; P26-A30 VanDerWaalsContact O-N 3.14Å; P26-R99 CarbonylContact C-O 3.55Å; P26-R99 VanDerWaalsContact CA-O 3.31Å; P26-R99 WeakPolarHBondContact CA-O 3.43Å
27V96.5Very high95.1Very high2 Ų258 Ų581%0.01231%0.314CS..G310 helixtrans-52.3-42.3-178.2166.40000111.8S29 A30 T90 L93 N94 V98 R99 V101V27-S29 PolarHBondContact O-N 2.84Å; V27-S29 VanDerWaalsContact O-N 3.17Å; V27-A30 PolarHBondContact O-N 3.36Å; V27-T90 HydrophobicContact CG1-CG2 3.75Å; V27-L93 HydrophobicContact CG1-CB 3.93Å; V27-L93 HydrophobicContact CG1-CD1 4.19Å; V27-L93 HydrophobicContact CG2-CB 4.13Å; V27-L93 HydrophobicContact CG2-CD1 4.17Å; V27-N94 WeakPolarHBondContact CG1-OD1 3.08Å; V27-V98 HydrophobicContact CG2-CG1 4.13Å; V27-V98 WeakPolarHBondContact CG2-O 3.32Å; V27-R99 PolarHBondContact N-O 2.63Å; V27-V101 HydrophobicContact CG2-CG1 3.94Å; V27-V101 HydrophobicContact CG2-CG2 4.25Å
28D93.7Very high95.3Very high127 Ų12757.3 Ų57.368%0.67931%0.31SS*.G310 helixtrans-64.9-19.9179.1-62.2-25.6000114.1P26 N94P26-D28 PolarHBondContact O-N 2.96Å; D28-N94 PolarHBondContact OD1-ND2 2.67Å
29S95.4Very high95.4Very high77 Ų7757.3 Ų57.354%0.53831%0.312SS..G310 helixtrans-103.4-0.9176.7-60.10000113.1P26 V27P26-S29 CarbonylContact O-C 3.51Å; P26-S29 WeakPolarHBondContact O-CA 3.47Å; P26-S29 PolarHBondContact O-N 3.46Å; V27-S29 PolarHBondContact O-N 2.84Å; V27-S29 VanDerWaalsContact O-N 3.17Å
30A95.9Very high95.6Very high0 Ų057.4 Ų57.40%031%0.307CS..  trans-95.4-0.3-174.600000113.4L25 P26 V27 D32 H33 L85 V101 V103L25-A30 HydrophobicContact CB-CB 4.26Å; P26-A30 PolarHBondContact O-N 3.11Å; P26-A30 VanDerWaalsContact O-N 3.14Å; V27-A30 PolarHBondContact O-N 3.36Å; A30-D32 PolarHBondContact O-N 3.25Å; A30-H33 WeakPolarHBondContact O-CB 3.5Å; A30-H33 PolarHBondContact O-N 3.4Å; A30-L85 HydrophobicContact CB-CD1 3.6Å; A30-V101 HydrophobicContact CB-CG2 3.51Å; A30-V103 HydrophobicContact CB-CG1 4.28Å
31N93.9Very high95.9Very high89 Ų8952.5 Ų52.548%0.47629%0.287SS..THydrogen-bonded Turntrans-57.1138.9175.5-174.377.6000111H33 T86N31-H33 PolarHBondContact O-N 3.5Å; N31-T86 WeakPolarHBondContact OD1-CA 3.09Å
32D93.6Very high96Very high47 Ų4752.7 Ų52.725%0.25129%0.294SS..THydrogen-bonded Turntrans65.212.1-173.1-168.958.6000115.3A30 R84 L85 K106 G147A30-D32 PolarHBondContact O-N 3.25Å; D32-R84 VanDerWaalsContact CG-NH1 3.31Å; D32-R84 PolarHBondContact O-NH1 2.87Å; D32-R84 WeakPolarHBondContact OD1-CD 3.32Å; D32-R84 IonicContact OD1-CZ 2.77Å; D32-R84 IonicContact OD1-NE 2.72Å; D32-R84 IonicContact OD1-NH1 2.54Å; D32-R84 PolarHBondContact OD1-NH1 3.44Å; D32-R84 IonicContact OD2-NH1 3.24Å; D32-R84 PolarHBondContact OD2-NH1 2.75Å; D32-L85 PolarHBondContact N-O 3.32Å; D32-K106 PolarHBondContact O-NZ 3.07Å; D32-K106 IonicContact OD2-NZ 3.7Å; D32-K106 PolarHBondContact OD2-NZ 3.22Å; D32-G147 WeakPolarHBondContact OD2-CA 3.13Å
33H95.9Very high95.9Very high33 Ų3353.5 Ų53.515%0.15329%0.29CS..PPolyproline II helixtrans-100157.9167.3-73-99.7000112.3A30 N31 R84 L85 V103 A104A30-H33 WeakPolarHBondContact O-CB 3.5Å; A30-H33 PolarHBondContact O-N 3.4Å; N31-H33 PolarHBondContact O-N 3.5Å; H33-R84 CarbonylContact O-C 3.42Å; H33-R84 WeakPolarHBondContact O-CA 3.36Å; H33-L85 PolarHBondContact O-N 3.45Å; H33-V103 HydrophobicContact CB-CB 3.66Å; H33-V103 HydrophobicContact CB-CG1 3.89Å; H33-V103 HydrophobicContact CB-CG2 3.71Å; H33-A104 PolarHBondContact ND1-O 3.43Å
34V96Very high95.8Very high0 Ų052.4 Ų52.40%029%0.285CS..BIsolated β-bridgetrans-99.2128.5178.4-179.60000110.1F83 R84 V103 A104 E256 Q258V34-F83 CarbonylContact C-O 3.58Å; V34-F83 WeakPolarHBondContact CA-O 3.49Å; V34-R84 HydrophobicContact CG2-CB 4.29Å; V34-V103 CarbonylContact O-C 3.55Å; V34-V103 WeakPolarHBondContact O-CA 3.25Å; V34-V103 WeakPolarHBondContact O-CB 3.43Å; V34-A104 HydrophobicContact CB-CB 4.41Å; V34-A104 PolarHBondContact O-N 3.47Å; V34-E256 HydrophobicContact CB-CB 4.36Å; V34-E256 HydrophobicContact CG2-CB 3.91Å; V34-Q258 HydrophobicContact CG2-CB 4.18Å
35L96.2Very high95.6Very high2 Ų249.6 Ų49.61%0.0127%0.27CS..BIsolated β-bridgetrans-62.6135.6174.9-76.6172.7000111.6V39 L79 G82 F83 L85 V101 V103L35-V39 HydrophobicContact CD1-CG2 4.09Å; L35-V39 HydrophobicContact CD2-CG2 3.92Å; L35-L79 HydrophobicContact CD1-CB 3.49Å; L35-L79 VanDerWaalsContact CD1-CB 3.49Å; L35-L79 HydrophobicContact CD1-CD1 3.77Å; L35-L79 HydrophobicContact CD1-CG 4.27Å; L35-G82 PolarHBondContact O-N 3.38Å; L35-F83 PolarHBondContact N-O 3.42Å; L35-L85 HydrophobicContact CD1-CD2 3.96Å; L35-L85 HydrophobicContact CD2-CD1 4.24Å; L35-L85 HydrophobicContact CD2-CD2 4.48Å; L35-L85 HydrophobicContact CG-CD1 4.37Å; L35-L85 HydrophobicContact CG-CD2 4.02Å; L35-L85 HydrophobicContact CG-CG 4.2Å; L35-V101 HydrophobicContact CD2-CB 3.81Å; L35-V101 HydrophobicContact CD2-CG1 4.16Å; L35-V101 HydrophobicContact CD2-CG2 4.43Å; L35-V103 HydrophobicContact CD2-CG1 4.2Å
36T96.1Very high95.4Very high48 Ų4848.1 Ų48.129%0.29426%0.263SS..SBendtrans-100.7-11.7176.953.40000113.7S22 K102 A104S22-T36 WeakPolarHBondContact OG-CB 3.49Å; S22-T36 WeakPolarHBondContact OG-CG2 3.24Å; S22-T36 PolarHBondContact OG-OG1 2.99Å; T36-K102 PolarHBondContact N-O 3.5Å; T36-K102 PolarHBondContact OG1-O 3.05Å; T36-A104 HydrophobicContact CG2-CB 3.8Å; T36-A104 VanDerWaalsContact CG2-N 3.32Å
37E95.3Very high95.1Very high75 Ų7547.9 Ų47.935%0.3527%0.266SS..SBendtrans-140.2154.7173.969.8-170177.200110.5K102E37-K102 HydrophobicContact CG-CB 4.1Å; E37-K102 WeakPolarHBondContact OE1-CD 3.42Å; E37-K102 WeakPolarHBondContact OE1-CE 3.4Å; E37-K102 VanDerWaalsContact OE1-CG 3.25Å; E37-K102 WeakPolarHBondContact OE1-CG 3.47Å; E37-K102 IonicContact OE1-NZ 3.69Å; E37-K102 PolarHBondContact OE1-NZ 2.87Å; E37-K102 IonicContact OE2-NZ 2.92Å; E37-K102 PolarHBondContact OE2-NZ 3.33Å
38P96Very high94.9Very high52 Ų5254.5 Ų54.534%0.33830%0.295SS..  trans-65.1147.2173.327.2-34.4000111.5Y40 L79P38-Y40 HydrophobicContact CB-CE2 3.93Å; P38-Y40 HydrophobicContact CG-CE2 3.78Å; P38-L79 CarbonylContact C-O 3.43Å; P38-L79 VanDerWaalsContact CA-O 3.23Å; P38-L79 WeakPolarHBondContact CA-O 3.12Å
39V96.5Very high94.7Very high17 Ų1750.9 Ų50.910%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-110.8126.1176.6-1740000109.2L35 I78 L79 L93 V98 V101L35-V39 HydrophobicContact CD1-CG2 4.09Å; L35-V39 HydrophobicContact CD2-CG2 3.92Å; V39-I78 PolarHBondContact O-N 3.04Å; V39-L79 PolarHBondContact N-O 3.28Å; V39-L79 PolarHBondContact O-N 2.87Å; V39-L93 HydrophobicContact CB-CD2 4.16Å; V39-L93 HydrophobicContact CG1-CD2 3.64Å; V39-L93 HydrophobicContact CG2-CD2 4.4Å; V39-V98 HydrophobicContact CG1-CG1 4.16Å; V39-V98 HydrophobicContact CG1-CG2 4.03Å; V39-V101 HydrophobicContact CG2-CG1 4.08Å
40Y97.1Very high94.3Very high136 Ų13648 Ų4853%0.53326%0.263SS..EExtended strand (participates in β ladder)trans-108.8146.6-179.7-60.7-91.5000111P38 P42 G75 E76 C77P38-Y40 HydrophobicContact CB-CE2 3.93Å; P38-Y40 HydrophobicContact CG-CE2 3.78Å; Y40-P42 WeakPolarHBondContact O-CD 3.3Å; Y40-G75 WeakPolarHBondContact CD1-O 3.32Å; Y40-E76 CarbonylContact C-O 3.25Å; Y40-E76 VanDerWaalsContact CA-O 3.25Å; Y40-E76 WeakPolarHBondContact CA-O 3.39Å; Y40-C77 HydrophobicContact CD1-CB 3.91Å; Y40-C77 HydrophobicContact CE1-CB 3.73Å
41S96.6Very high94Very high4 Ų452.4 Ų52.43%0.02829%0.294CS..  trans-69.6121.4-178.8-158.80000111.7E43 A73 G75 E76 V96S41-E43 VanDerWaalsContact C-N 3.29Å; S41-E43 PolarHBondContact OG-O 2.72Å; S41-A73 WeakPolarHBondContact CB-O 3.36Å; S41-G75 WeakPolarHBondContact O-CA 3.47Å; S41-G75 PolarHBondContact O-N 2.85Å; S41-E76 PolarHBondContact N-O 2.97Å; S41-V96 WeakPolarHBondContact OG-CB 3.37Å; S41-V96 WeakPolarHBondContact OG-CG1 3.35Å
42P95.8Very high93.6Very high72 Ų7253.1 Ų53.147%0.46830%0.297SS..SBendtrans-77.1-18.8176.433.2-35.2000112.4Y40 V96 V98Y40-P42 WeakPolarHBondContact O-CD 3.3Å; P42-V96 WeakPolarHBondContact CD-O 3.31Å; P42-V96 WeakPolarHBondContact CG-O 3.43Å; P42-V98 HydrophobicContact CG-CG2 4.46Å
43E94.2Very high93.3Very high82 Ų8258.1 Ų58.138%0.38332%0.316SS..SBendtrans-139.5154.9-177.962.7-173.2-171.800111.4S41 V96S41-E43 VanDerWaalsContact C-N 3.29Å; S41-E43 PolarHBondContact OG-O 2.72Å; E43-V96 HydrophobicContact CG-CB 4.16Å; E43-V96 WeakPolarHBondContact OE1-CA 3.23Å
44P94.3Very high92.9Very high29 Ų2964.9 Ų64.919%0.18835%0.353CS..  trans-75.8149.6172.626.8-26000111.5P46 A47 I68 V72P44-P46 CarbonylContact O-C 3.6Å; P44-P46 VanDerWaalsContact O-C 3.25Å; P44-A47 VanDerWaalsContact O-CA 3.26Å; P44-A47 WeakPolarHBondContact O-CA 3.44Å; P44-A47 PolarHBondContact O-N 2.86Å; P44-A47 VanDerWaalsContact O-N 3.11Å; P44-I68 HydrophobicContact CB-CG2 3.85Å; P44-I68 HydrophobicContact CG-CG2 3.68Å; P44-V72 CarbonylContact C-O 3.55Å; P44-V72 VanDerWaalsContact CA-O 3.31Å; P44-V72 WeakPolarHBondContact CA-O 3.15Å
45L94Very high92.5Very high47 Ų4768 Ų6825%0.24639%0.386CS..BIsolated β-bridgetrans-120117.5172.2-169.768.2000110.3G69 C70 D71 V72 S95 V96L45-G69 CarbonylContact O-C 3.58Å; L45-G69 VanDerWaalsContact O-C 3.28Å; L45-G69 VanDerWaalsContact O-CA 3.26Å; L45-G69 WeakPolarHBondContact O-CA 3.37Å; L45-C70 PolarHBondContact O-N 2.58Å; L45-D71 HydrophobicContact CB-CB 4.45Å; L45-D71 HydrophobicContact CD2-CB 4.38Å; L45-D71 HydrophobicContact CG-CB 4.4Å; L45-D71 WeakPolarHBondContact O-CB 3.25Å; L45-D71 PolarHBondContact O-N 3.44Å; L45-V72 HydrophobicContact CB-CB 3.96Å; L45-V72 HydrophobicContact CB-CG2 4.24Å; L45-V72 HydrophobicContact CD2-CG2 4.36Å; L45-V72 PolarHBondContact N-O 3.39Å; L45-V72 PolarHBondContact O-N 3.18Å; L45-S95 WeakPolarHBondContact CD2-OG 3.18Å; L45-V96 HydrophobicContact CB-CG1 4.23Å
46P93.7Very high91.9Very high11 Ų1178.2 Ų78.27%0.07143%0.426CS..SBendcis-69.6153.7-7.232.9-36.9000112.5P44 F48 A50 R66 Q67 I68 G69 D71P44-P46 CarbonylContact O-C 3.6Å; P44-P46 VanDerWaalsContact O-C 3.25Å; P46-F48 WeakPolarHBondContact CB-O 3.34Å; P46-F48 WeakPolarHBondContact CG-O 3.46Å; P46-F48 PolarHBondContact O-N 3.43Å; P46-A50 HydrophobicContact CB-CB 4.2Å; P46-A50 HydrophobicContact CG-CB 4.35Å; P46-R66 HydrophobicContact CG-CB 3.88Å; P46-Q67 WeakPolarHBondContact CD-O 3.33Å; P46-I68 WeakPolarHBondContact O-CA 3.37Å; P46-G69 PolarHBondContact O-N 2.88Å; P46-D71 WeakPolarHBondContact CD-OD2 3.47Å
47A91.7Very high91.3Very high55 Ų5580.6 Ų80.646%0.45545%0.45SS..SBendtrans-73.7-14.6-179.500000114P44P44-A47 VanDerWaalsContact O-CA 3.26Å; P44-A47 WeakPolarHBondContact O-CA 3.44Å; P44-A47 PolarHBondContact O-N 2.86Å; P44-A47 VanDerWaalsContact O-N 3.11Å
48F91.4Very high90.6Very high142 Ų14283 Ų8362%0.62347%0.465SS*.SBendtrans-144.8159.4177.754-90.9000109.2P46 A50P46-F48 WeakPolarHBondContact CB-O 3.34Å; P46-F48 WeakPolarHBondContact CG-O 3.46Å; P46-F48 PolarHBondContact O-N 3.43Å; F48-A50 HydrophobicContact CD2-CB 4.4Å; F48-A50 HydrophobicContact CE2-CB 4.19Å; F48-A50 PolarHBondContact O-N 3.38Å; F48-A50 VanDerWaalsContact O-N 3.11Å
49A88.7Confident89.8Confident50 Ų5089.7 Ų89.741%0.41350%0.497SS..  trans-59.7117.517500000109.6R66A49-R66 WeakPolarHBondContact CA-O 3.26Å
50A88.4Confident88.5Confident18 Ų1893.9 Ų93.915%0.14952%0.517CS..EExtended strand (participates in β ladder)trans-118.5138.6-169.300000111.2P46 F48 R66P46-A50 HydrophobicContact CB-CB 4.2Å; P46-A50 HydrophobicContact CG-CB 4.35Å; F48-A50 HydrophobicContact CD2-CB 4.4Å; F48-A50 HydrophobicContact CE2-CB 4.19Å; F48-A50 PolarHBondContact O-N 3.38Å; F48-A50 VanDerWaalsContact O-N 3.11Å; A50-R66 HydrophobicContact CB-CB 4.38Å; A50-R66 PolarHBondContact N-O 3.14Å; A50-R66 VanDerWaalsContact N-O 3.12Å; A50-R66 PolarHBondContact O-N 3.17Å
51S88.1Confident87.2Confident91 Ų9194.8 Ų94.864%0.63654%0.536SS*.EExtended strand (participates in β ladder)trans-65.6137.9174.4-170.30000110.8K53S51-K53 PolarHBondContact OG-N 3.04Å; S51-K53 PolarHBondContact OG-O 2.71Å
52I87.1Confident85.3Confident104 Ų10498.7 Ų98.753%0.53356%0.56SS.*SBendtrans-80.7-26.3172.3-61.7174.7000111.1F64 R66I52-F64 WeakPolarHBondContact CD1-O 3.34Å; I52-F64 WeakPolarHBondContact CG1-O 3.4Å; I52-R66 HydrophobicContact CD1-CG 4.05Å; I52-R66 HydrophobicContact CG1-CG 3.44Å; I52-R66 VanDerWaalsContact CG1-CG 3.44Å
53K86.2Confident83.7Confident153 Ų153101.6 Ų101.667%0.66557%0.572SS**SBendtrans-132.6152-171.5-62.5-174179.7179.50111.6S51 G55S51-K53 PolarHBondContact OG-N 3.04Å; S51-K53 PolarHBondContact OG-O 2.71Å; K53-G55 PolarHBondContact O-N 3.02Å
54D88.6Confident82.5Confident174 Ų174104.2 Ų104.293%0.9358%0.582SS**SBendtrans-64.6132.8162.9-60.5-35.4000109.2
55G87.3Confident81.7Confident67 Ų67107.6 Ų107.669%0.69160%0.595SS**SBendtrans158.9-153.3-17800000113K53K53-G55 PolarHBondContact O-N 3.02Å
56Y82.2Confident81.2Confident215 Ų215109.7 Ų109.784%0.84360%0.6SS**  trans-110.2139.9-179.7-60.9-87.8000109.7L58Y56-L58 PolarHBondContact O-N 2.89Å
57A84.6Confident80.9Confident98 Ų98113.7 Ų113.781%0.8162%0.618SS**  trans-65.1119.7166.800000108.7
58L79.5Confident80.9Confident127 Ų127115.9 Ų115.967%0.66562%0.621SS**  trans-110.8133.2179.3-65.9174.9000109Y56 M60Y56-L58 PolarHBondContact O-N 2.89Å; L58-M60 HydrophobicContact CB-CG 4.32Å; L58-M60 PolarHBondContact O-N 2.99Å
59L79.4Confident80.9Confident191 Ų191109.9 Ų109.9100%160%0.599SS**  trans-75.989.6171-161.291.3000108.6
60M69.1Low81Confident106 Ų106110.9 Ų110.952%0.52260%0.602SS.*  trans-117152174.3-75.8-154.1-63.800111L58 T62 F64L58-M60 HydrophobicContact CB-CG 4.32Å; L58-M60 PolarHBondContact O-N 2.99Å; M60-T62 PolarHBondContact O-N 3.19Å; M60-T62 VanDerWaalsContact O-N 3.08Å; M60-F64 HydrophobicContact CE-CD2 3.8Å; M60-F64 HydrophobicContact CE-CE2 3.71Å
61V69.7Low81.2Confident154 Ų154113.3 Ų113.393%0.93361%0.612SS**SBendtrans-75.513.2177.8-155.90000112.1
62T58.6Low81.5Confident87 Ų87109.7 Ų109.753%0.53459%0.586SS.*SBendtrans-140.6136.4-175.658.50000111M60M60-T62 PolarHBondContact O-N 3.19Å; M60-T62 VanDerWaalsContact O-N 3.08Å
63D61.1Low81.8Confident133 Ų133106.8 Ų106.871%0.71158%0.578SS**  trans-83.9116.2-167.6-60.2-39.8000113.5
64F69.9Low82.3Confident136 Ų136106.2 Ų106.260%0.59658%0.58SS**  trans-114.316.7166.7-72.4-80000112.5I52 M60I52-F64 WeakPolarHBondContact CD1-O 3.34Å; I52-F64 WeakPolarHBondContact CG1-O 3.4Å; M60-F64 HydrophobicContact CE-CD2 3.8Å; M60-F64 HydrophobicContact CE-CE2 3.71Å
65E75.7Confident82.6Confident100 Ų100100.2 Ų100.247%0.46756%0.558SS.*EExtended strand (participates in β ladder)trans-104.5146.9179.7-65.4-177171.100110.6Q67E65-Q67 PolarHBondContact O-N 3.05Å
66R85.5Confident83Confident92 Ų92101.3 Ų101.335%0.34755%0.545SS..EExtended strand (participates in β ladder)trans-74.8113167.5-58.4-179.674.9-17114.6107.6P46 A49 A50 I52 D71P46-R66 HydrophobicContact CG-CB 3.88Å; A49-R66 WeakPolarHBondContact CA-O 3.26Å; A50-R66 HydrophobicContact CB-CB 4.38Å; A50-R66 PolarHBondContact N-O 3.14Å; A50-R66 VanDerWaalsContact N-O 3.12Å; A50-R66 PolarHBondContact O-N 3.17Å; I52-R66 HydrophobicContact CD1-CG 4.05Å; I52-R66 HydrophobicContact CG1-CG 3.44Å; I52-R66 VanDerWaalsContact CG1-CG 3.44Å; R66-D71 IonicContact CZ-OD1 3.48Å; R66-D71 IonicContact CZ-OD2 3.57Å; R66-D71 VanDerWaalsContact CZ-OD2 3.24Å; R66-D71 IonicContact NE-OD1 3.88Å; R66-D71 IonicContact NE-OD2 3.83Å; R66-D71 IonicContact NH1-OD2 3.36Å; R66-D71 IonicContact NH2-OD1 3.37Å; R66-D71 PolarHBondContact NH2-OD1 3.06Å; R66-D71 IonicContact NH2-OD2 3.98Å; R66-D71 PolarHBondContact NH2-OD2 3.38Å
67Q87.3Confident83.7Confident95 Ų9593.5 Ų93.544%0.44452%0.522SS..  trans-65.3151.4174.9-64-63.1-24.800110.3P46 E65 G69 C70P46-Q67 WeakPolarHBondContact CD-O 3.33Å; E65-Q67 PolarHBondContact O-N 3.05Å; Q67-G69 PolarHBondContact O-N 2.82Å; Q67-C70 HydrophobicContact CB-CB 4.36Å; Q67-C70 VanDerWaalsContact O-CB 3.31Å; Q67-C70 WeakPolarHBondContact O-CB 3.29Å; Q67-C70 PolarHBondContact O-N 2.81Å; Q67-C70 VanDerWaalsContact O-N 3.1Å; Q67-C70 PolarHBondContact O-SG 2.9Å; Q67-C70 VanDerWaalsContact O-SG 3.35Å
68I91.2Very high84.2Confident101 Ų10190.3 Ų90.352%0.51849%0.491SS..THydrogen-bonded Turntrans-56.7127.3178.2-61.3177.7000109.3P44 P46 C70P44-I68 HydrophobicContact CB-CG2 3.85Å; P44-I68 HydrophobicContact CG-CG2 3.68Å; P46-I68 WeakPolarHBondContact O-CA 3.37Å; I68-C70 VanDerWaalsContact C-N 3.28Å; I68-C70 PolarHBondContact O-N 2.84Å
69G90.8Very high84.9Confident16 Ų1685.3 Ų85.317%0.16547%0.465CS..THydrogen-bonded Turntrans69.418.7178.400000115.2L45 P46 Q67 D71 V72L45-G69 CarbonylContact O-C 3.58Å; L45-G69 VanDerWaalsContact O-C 3.28Å; L45-G69 VanDerWaalsContact O-CA 3.26Å; L45-G69 WeakPolarHBondContact O-CA 3.37Å; P46-G69 PolarHBondContact O-N 2.88Å; Q67-G69 PolarHBondContact O-N 2.82Å; G69-D71 PolarHBondContact O-N 3.12Å; G69-V72 VanDerWaalsContact CA-O 3.24Å; G69-V72 WeakPolarHBondContact CA-O 3.19Å; G69-V72 CarbonylContact O-C 3.28Å
70C91.5Very high85.6Confident71 Ų7179 Ų7948%0.4844%0.437SS..SBendtrans-66.6-23.2179.470.60000113.9L45 Q67 I68L45-C70 PolarHBondContact O-N 2.58Å; Q67-C70 HydrophobicContact CB-CB 4.36Å; Q67-C70 VanDerWaalsContact O-CB 3.31Å; Q67-C70 WeakPolarHBondContact O-CB 3.29Å; Q67-C70 PolarHBondContact O-N 2.81Å; Q67-C70 VanDerWaalsContact O-N 3.1Å; Q67-C70 PolarHBondContact O-SG 2.9Å; Q67-C70 VanDerWaalsContact O-SG 3.35Å; I68-C70 VanDerWaalsContact C-N 3.28Å; I68-C70 PolarHBondContact O-N 2.84Å
71D91.3Very high86.8Confident68 Ų6875.6 Ų75.636%0.36443%0.425SS..SBendtrans-94.7-42.3175.1-41.4-60.2000112L45 P46 R66 G69L45-D71 HydrophobicContact CB-CB 4.45Å; L45-D71 HydrophobicContact CD2-CB 4.38Å; L45-D71 HydrophobicContact CG-CB 4.4Å; L45-D71 WeakPolarHBondContact O-CB 3.25Å; L45-D71 PolarHBondContact O-N 3.44Å; P46-D71 WeakPolarHBondContact CD-OD2 3.47Å; R66-D71 IonicContact CZ-OD1 3.48Å; R66-D71 IonicContact CZ-OD2 3.57Å; R66-D71 VanDerWaalsContact CZ-OD2 3.24Å; R66-D71 IonicContact NE-OD1 3.88Å; R66-D71 IonicContact NE-OD2 3.83Å; R66-D71 IonicContact NH1-OD2 3.36Å; R66-D71 IonicContact NH2-OD1 3.37Å; R66-D71 PolarHBondContact NH2-OD1 3.06Å; R66-D71 IonicContact NH2-OD2 3.98Å; R66-D71 PolarHBondContact NH2-OD2 3.38Å; G69-D71 PolarHBondContact O-N 3.12Å
72V94.7Very high87.9Confident15 Ų1568.4 Ų68.49%0.09138%0.383CS..BIsolated β-bridgetrans-142.1122176.9-175.90000108.5P44 L45 G69 E76 I78 V96P44-V72 CarbonylContact C-O 3.55Å; P44-V72 VanDerWaalsContact CA-O 3.31Å; P44-V72 WeakPolarHBondContact CA-O 3.15Å; L45-V72 HydrophobicContact CB-CB 3.96Å; L45-V72 HydrophobicContact CB-CG2 4.24Å; L45-V72 HydrophobicContact CD2-CG2 4.36Å; L45-V72 PolarHBondContact N-O 3.39Å; L45-V72 PolarHBondContact O-N 3.18Å; G69-V72 VanDerWaalsContact CA-O 3.24Å; G69-V72 WeakPolarHBondContact CA-O 3.19Å; G69-V72 CarbonylContact O-C 3.28Å; V72-E76 HydrophobicContact CG1-CB 4.17Å; V72-I78 HydrophobicContact CG1-CG1 4.28Å; V72-V96 HydrophobicContact CB-CG1 4.45Å; V72-V96 HydrophobicContact CG1-CG1 4.38Å
73A95Very high89.5Confident44 Ų4469.4 Ų69.436%0.36438%0.38SS..  trans-78150.5174.600000111.4S41 G75 E76S41-A73 WeakPolarHBondContact CB-O 3.36Å; A73-G75 PolarHBondContact O-N 2.79Å; A73-E76 HydrophobicContact CB-CB 4.24Å; A73-E76 PolarHBondContact N-OE2 3.49Å; A73-E76 WeakPolarHBondContact O-CB 3.49Å; A73-E76 PolarHBondContact O-N 3.49Å
74M94.9Very high91Very high141 Ų14164.7 Ų64.770%0.69535%0.352SS*.THydrogen-bonded Turntrans-59.4130.9170.9-173.6-176.7-178.400110E76M74-E76 PolarHBondContact O-N 2.89Å
75G95.8Very high92.2Very high47 Ų4758.2 Ų58.249%0.48532%0.324SS..THydrogen-bonded Turntrans772.9-176.700000114.9Y40 S41 A73Y40-G75 WeakPolarHBondContact CD1-O 3.32Å; S41-G75 WeakPolarHBondContact O-CA 3.47Å; S41-G75 PolarHBondContact O-N 2.85Å; A73-G75 PolarHBondContact O-N 2.79Å
76E96.1Very high93Very high90 Ų9056.2 Ų56.242%0.42132%0.318SS..  trans-65.3140.3172.8-173.6173.5162.800110.8Y40 S41 V72 A73 M74 I78Y40-E76 CarbonylContact C-O 3.25Å; Y40-E76 VanDerWaalsContact CA-O 3.25Å; Y40-E76 WeakPolarHBondContact CA-O 3.39Å; S41-E76 PolarHBondContact N-O 2.97Å; V72-E76 HydrophobicContact CG1-CB 4.17Å; A73-E76 HydrophobicContact CB-CB 4.24Å; A73-E76 PolarHBondContact N-OE2 3.49Å; A73-E76 WeakPolarHBondContact O-CB 3.49Å; A73-E76 PolarHBondContact O-N 3.49Å; M74-E76 PolarHBondContact O-N 2.89Å; E76-I78 PolarHBondContact O-N 2.87Å
77C96.5Very high93.5Very high52 Ų5256.5 Ų56.535%0.35133%0.334SS..EExtended strand (participates in β ladder)trans-73.8107.1172.8-174.30000108.9Y40Y40-C77 HydrophobicContact CD1-CB 3.91Å; Y40-C77 HydrophobicContact CE1-CB 3.73Å
78I94Very high93.8Very high30 Ų3054.8 Ų54.815%0.15433%0.333CS..EExtended strand (participates in β ladder)trans-75.1-48-178.9-55.6169.7000109.5V39 V72 E76 V92 V96V39-I78 PolarHBondContact O-N 3.04Å; V72-I78 HydrophobicContact CG1-CG1 4.28Å; E76-I78 PolarHBondContact O-N 2.87Å; I78-V92 HydrophobicContact CG2-CB 4.27Å; I78-V92 HydrophobicContact CG2-CG1 3.32Å; I78-V96 HydrophobicContact CD1-CB 4.39Å; I78-V96 HydrophobicContact CD1-CG2 3.34Å
79L94.3Very high94Very high22 Ų2251.8 Ų51.812%0.11532%0.317CS..EExtended strand (participates in β ladder)trans-138136.1-177.2-61.4173.6000110.1L35 P38 V39 L85 E89 L93L35-L79 HydrophobicContact CD1-CB 3.49Å; L35-L79 VanDerWaalsContact CD1-CB 3.49Å; L35-L79 HydrophobicContact CD1-CD1 3.77Å; L35-L79 HydrophobicContact CD1-CG 4.27Å; P38-L79 CarbonylContact C-O 3.43Å; P38-L79 VanDerWaalsContact CA-O 3.23Å; P38-L79 WeakPolarHBondContact CA-O 3.12Å; V39-L79 PolarHBondContact N-O 3.28Å; V39-L79 PolarHBondContact O-N 2.87Å; L79-L85 HydrophobicContact CD1-CD2 3.65Å; L79-E89 HydrophobicContact CD1-CB 3.74Å; L79-E89 HydrophobicContact CD1-CG 3.99Å; L79-E89 HydrophobicContact CD2-CB 4.22Å; L79-E89 HydrophobicContact CD2-CG 3.64Å; L79-L93 HydrophobicContact CD1-CD1 3.84Å; L79-L93 HydrophobicContact CD1-CD2 3.95Å; L79-L93 HydrophobicContact CD1-CG 3.85Å
80S94.3Very high94.2Very high60 Ų6052.1 Ų52.142%0.4232%0.315SS..  trans-84.9155.4172.9-65.50000111.5F83S80-F83 WeakPolarHBondContact O-CD2 3.46Å
81A94.2Very high94.3Very high33 Ų3352.4 Ų52.427%0.27332%0.318SS..THydrogen-bonded Turntrans-58.7149.1169.100000111.5
82G93.6Very high94.5Very high4 Ų451.8 Ų51.84%0.04132%0.317CS..THydrogen-bonded Turntrans87.7-2.1179.300000115L35 G257 H259L35-G82 PolarHBondContact O-N 3.38Å; G82-G257 WeakPolarHBondContact CA-O 3.34Å; G82-H259 PolarHBondContact O-N 3.26Å
83F91.6Very high94.5Very high108 Ų10851.1 Ų51.147%0.47431%0.313SS..PPolyproline II helixtrans-85.6138.6172-80.5-95.2000111.5V34 L35 S80V34-F83 CarbonylContact C-O 3.58Å; V34-F83 WeakPolarHBondContact CA-O 3.49Å; L35-F83 PolarHBondContact N-O 3.42Å; S80-F83 WeakPolarHBondContact O-CD2 3.46Å
84R93.7Very high94.5Very high34 Ų3452.7 Ų52.713%0.12832%0.315CS..BIsolated β-bridgetrans-82.1130.9171.4-177.1171.7-63.7-97.6-18.7109.5D32 H33 V34 E256 Q258D32-R84 VanDerWaalsContact CG-NH1 3.31Å; D32-R84 PolarHBondContact O-NH1 2.87Å; D32-R84 WeakPolarHBondContact OD1-CD 3.32Å; D32-R84 IonicContact OD1-CZ 2.77Å; D32-R84 IonicContact OD1-NE 2.72Å; D32-R84 IonicContact OD1-NH1 2.54Å; D32-R84 PolarHBondContact OD1-NH1 3.44Å; D32-R84 IonicContact OD2-NH1 3.24Å; D32-R84 PolarHBondContact OD2-NH1 2.75Å; H33-R84 CarbonylContact O-C 3.42Å; H33-R84 WeakPolarHBondContact O-CA 3.36Å; V34-R84 HydrophobicContact CG2-CB 4.29Å; R84-E256 IonicContact CZ-OE2 3.68Å; R84-E256 IonicContact NH1-OE2 3.93Å; R84-E256 IonicContact NH2-OE1 2.75Å; R84-E256 IonicContact NH2-OE2 3.66Å; R84-E256 PolarHBondContact NH2-OE2 2.96Å; R84-Q258 VanDerWaalsContact CZ-OE1 3.28Å
85L94.4Very high94.5Very high0 Ų048.1 Ų48.10%030%0.297CS..PPolyproline II helixtrans-76.3126.3177.1-64.5176.3000110.3A30 D32 H33 L35 L79 E89 L93 V101 V103A30-L85 HydrophobicContact CB-CD1 3.6Å; D32-L85 PolarHBondContact N-O 3.32Å; H33-L85 PolarHBondContact O-N 3.45Å; L35-L85 HydrophobicContact CD1-CD2 3.96Å; L35-L85 HydrophobicContact CD2-CD1 4.24Å; L35-L85 HydrophobicContact CD2-CD2 4.48Å; L35-L85 HydrophobicContact CG-CD1 4.37Å; L35-L85 HydrophobicContact CG-CD2 4.02Å; L35-L85 HydrophobicContact CG-CG 4.2Å; L79-L85 HydrophobicContact CD1-CD2 3.65Å; L85-E89 HydrophobicContact CD2-CB 3.55Å; L85-E89 HydrophobicContact CD2-CG 4.21Å; L85-L93 HydrophobicContact CD1-CD1 4.47Å; L85-L93 HydrophobicContact CD2-CD1 3.85Å; L85-V101 HydrophobicContact CD1-CG2 3.89Å; L85-V103 HydrophobicContact CD1-CG1 4.08Å
86T93.4Very high94.4Very high58 Ų5845.9 Ų45.936%0.35627%0.274SS..  trans-123.2-166.5171.480.90000109.9N31 S88 E89 T90N31-T86 WeakPolarHBondContact OD1-CA 3.09Å; T86-S88 VanDerWaalsContact C-N 3.3Å; T86-S88 PolarHBondContact O-N 2.86Å; T86-S88 PolarHBondContact OG1-OG 2.88Å; T86-S88 VanDerWaalsContact OG1-OG 3.12Å; T86-E89 WeakPolarHBondContact CA-OE2 3.48Å; T86-E89 VanDerWaalsContact CB-OE2 3.26Å; T86-E89 WeakPolarHBondContact CB-OE2 3.48Å; T86-E89 PolarHBondContact N-OE2 3.34Å; T86-E89 PolarHBondContact O-N 3.18Å; T86-E89 PolarHBondContact OG1-OE2 3.35Å; T86-T90 WeakPolarHBondContact O-CB 3.48Å; T86-T90 PolarHBondContact O-N 3Å; T86-T90 PolarHBondContact O-OG1 3.01Å
87S95Very high94.3Very high97 Ų9743.8 Ų43.868%0.67828%0.276SS*.Hα-helixtrans-60.9-37.2179.455.50000113S91S87-S91 WeakPolarHBondContact O-CB 3.34Å; S87-S91 PolarHBondContact O-N 3.5Å
88S94.1Very high94.3Very high60 Ų6042.1 Ų42.142%0.4226%0.264SS..Hα-helixtrans-64.5-51.5178.240.10000111.2T86 T90 S91 V92T86-S88 VanDerWaalsContact C-N 3.3Å; T86-S88 PolarHBondContact O-N 2.86Å; T86-S88 PolarHBondContact OG1-OG 2.88Å; T86-S88 VanDerWaalsContact OG1-OG 3.12Å; S88-T90 VanDerWaalsContact C-N 3.33Å; S88-T90 PolarHBondContact O-N 2.88Å; S88-S91 WeakPolarHBondContact O-CB 3.15Å; S88-S91 PolarHBondContact O-N 3.14Å; S88-V92 WeakPolarHBondContact O-CG2 3.26Å; S88-V92 PolarHBondContact O-N 3.47Å; S88-V92 VanDerWaalsContact O-N 3.07Å
89E94.5Very high94.4Very high38 Ų3850.4 Ų50.418%0.17829%0.294CS..Hα-helixtrans-63.9-42.6-177.5-67.268.6-128.700110.9L79 L85 T86 S91 V92 L93L79-E89 HydrophobicContact CD1-CB 3.74Å; L79-E89 HydrophobicContact CD1-CG 3.99Å; L79-E89 HydrophobicContact CD2-CB 4.22Å; L79-E89 HydrophobicContact CD2-CG 3.64Å; L85-E89 HydrophobicContact CD2-CB 3.55Å; L85-E89 HydrophobicContact CD2-CG 4.21Å; T86-E89 WeakPolarHBondContact CA-OE2 3.48Å; T86-E89 VanDerWaalsContact CB-OE2 3.26Å; T86-E89 WeakPolarHBondContact CB-OE2 3.48Å; T86-E89 PolarHBondContact N-OE2 3.34Å; T86-E89 PolarHBondContact O-N 3.18Å; T86-E89 PolarHBondContact OG1-OE2 3.35Å; E89-S91 VanDerWaalsContact C-N 3.3Å; E89-S91 PolarHBondContact O-N 3.48Å; E89-V92 PolarHBondContact O-N 3.2Å; E89-L93 WeakPolarHBondContact O-CB 3.39Å; E89-L93 VanDerWaalsContact O-CG 3.24Å; E89-L93 WeakPolarHBondContact O-CG 3.41Å; E89-L93 PolarHBondContact O-N 2.91Å
90T94.9Very high94.5Very high22 Ų2253.2 Ų53.214%0.13531%0.309CS..Hα-helixtrans-58.3-43.7176.1-55.10000110.8V27 T86 S88 V92 L93 N94V27-T90 HydrophobicContact CG1-CG2 3.75Å; T86-T90 WeakPolarHBondContact O-CB 3.48Å; T86-T90 PolarHBondContact O-N 3Å; T86-T90 PolarHBondContact O-OG1 3.01Å; S88-T90 VanDerWaalsContact C-N 3.33Å; S88-T90 PolarHBondContact O-N 2.88Å; T90-V92 PolarHBondContact O-N 3.36Å; T90-L93 PolarHBondContact O-N 3.36Å; T90-N94 WeakPolarHBondContact O-CB 3.28Å; T90-N94 PolarHBondContact O-N 3.15Å
91S95Very high94.7Very high77 Ų7750.5 Ų50.554%0.53829%0.29SS..Hα-helixtrans-63.4-43178.7-174.10000112.3S87 S88 E89 N94 S95S87-S91 WeakPolarHBondContact O-CB 3.34Å; S87-S91 PolarHBondContact O-N 3.5Å; S88-S91 WeakPolarHBondContact O-CB 3.15Å; S88-S91 PolarHBondContact O-N 3.14Å; E89-S91 VanDerWaalsContact C-N 3.3Å; E89-S91 PolarHBondContact O-N 3.48Å; S91-N94 PolarHBondContact O-N 3.13Å; S91-S95 WeakPolarHBondContact O-CB 3.23Å; S91-S95 PolarHBondContact O-N 3.05Å
92V94.6Very high94.9Very high56 Ų5652.8 Ų52.834%0.33929%0.294SS..Hα-helixtrans-68.2-43.3-179.6-178.50000110.4I78 S88 E89 T90 N94 S95 V96I78-V92 HydrophobicContact CG2-CB 4.27Å; I78-V92 HydrophobicContact CG2-CG1 3.32Å; S88-V92 WeakPolarHBondContact O-CG2 3.26Å; S88-V92 PolarHBondContact O-N 3.47Å; S88-V92 VanDerWaalsContact O-N 3.07Å; E89-V92 PolarHBondContact O-N 3.2Å; T90-V92 PolarHBondContact O-N 3.36Å; V92-N94 VanDerWaalsContact C-N 3.32Å; V92-N94 PolarHBondContact O-N 3.15Å; V92-S95 PolarHBondContact O-N 3.11Å; V92-S95 VanDerWaalsContact O-N 3.11Å; V92-S95 PolarHBondContact O-OG 3.13Å; V92-V96 PolarHBondContact O-N 2.63Å
93L95.4Very high95Very high0 Ų052.6 Ų52.60%029%0.292CS..Hα-helixtrans-58.2-44.3175.5-70.1170.7000112V27 V39 L79 L85 E89 T90 S95 V96 G97 V98 V101V27-L93 HydrophobicContact CG1-CB 3.93Å; V27-L93 HydrophobicContact CG1-CD1 4.19Å; V27-L93 HydrophobicContact CG2-CB 4.13Å; V27-L93 HydrophobicContact CG2-CD1 4.17Å; V39-L93 HydrophobicContact CB-CD2 4.16Å; V39-L93 HydrophobicContact CG1-CD2 3.64Å; V39-L93 HydrophobicContact CG2-CD2 4.4Å; L79-L93 HydrophobicContact CD1-CD1 3.84Å; L79-L93 HydrophobicContact CD1-CD2 3.95Å; L79-L93 HydrophobicContact CD1-CG 3.85Å; L85-L93 HydrophobicContact CD1-CD1 4.47Å; L85-L93 HydrophobicContact CD2-CD1 3.85Å; E89-L93 WeakPolarHBondContact O-CB 3.39Å; E89-L93 VanDerWaalsContact O-CG 3.24Å; E89-L93 WeakPolarHBondContact O-CG 3.41Å; E89-L93 PolarHBondContact O-N 2.91Å; T90-L93 PolarHBondContact O-N 3.36Å; L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 3.44Å; L93-V96 WeakPolarHBondContact O-CG2 3.27Å; L93-V96 PolarHBondContact O-N 2.88Å; L93-G97 PolarHBondContact O-N 3.3Å; L93-V98 HydrophobicContact CB-CB 4.27Å; L93-V98 HydrophobicContact CD2-CB 4.12Å; L93-V98 HydrophobicContact CD2-CG1 4.07Å; L93-V98 HydrophobicContact CD2-CG2 4.23Å; L93-V98 WeakPolarHBondContact O-CB 3.41Å; L93-V98 PolarHBondContact O-N 2.9Å; L93-V101 HydrophobicContact CD1-CG1 3.98Å; L93-V101 HydrophobicContact CD2-CG1 4.32Å
94N94.9Very high95.3Very high77 Ų7747.6 Ų47.641%0.41227%0.27SS..Hα-helixtrans-66.1-32.5177-76.8-16.6000112.5V27 D28 T90 S91 V92 V96 G97V27-N94 WeakPolarHBondContact CG1-OD1 3.08Å; D28-N94 PolarHBondContact OD1-ND2 2.67Å; T90-N94 WeakPolarHBondContact O-CB 3.28Å; T90-N94 PolarHBondContact O-N 3.15Å; S91-N94 PolarHBondContact O-N 3.13Å; V92-N94 VanDerWaalsContact C-N 3.32Å; V92-N94 PolarHBondContact O-N 3.15Å; N94-V96 VanDerWaalsContact C-N 3.25Å; N94-V96 PolarHBondContact O-N 3.09Å; N94-G97 PolarHBondContact O-N 3.12Å
95S94.4Very high95.4Very high46 Ų4650.8 Ų50.832%0.32229%0.285SS..Hα-helixtrans-67.9-21.5-178.474.40000114.7L45 S91 V92 L93L45-S95 WeakPolarHBondContact CD2-OG 3.18Å; S91-S95 WeakPolarHBondContact O-CB 3.23Å; S91-S95 PolarHBondContact O-N 3.05Å; V92-S95 PolarHBondContact O-N 3.11Å; V92-S95 VanDerWaalsContact O-N 3.11Å; V92-S95 PolarHBondContact O-OG 3.13Å; L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 3.44Å
96V94.3Very high95.5Very high0 Ų052.7 Ų52.70%029%0.293CS..THydrogen-bonded Turntrans-114.219.2179.1-62.30000112.4S41 P42 E43 L45 V72 I78 V92 L93 N94 V98S41-V96 WeakPolarHBondContact OG-CB 3.37Å; S41-V96 WeakPolarHBondContact OG-CG1 3.35Å; P42-V96 WeakPolarHBondContact CD-O 3.31Å; P42-V96 WeakPolarHBondContact CG-O 3.43Å; E43-V96 HydrophobicContact CG-CB 4.16Å; E43-V96 WeakPolarHBondContact OE1-CA 3.23Å; L45-V96 HydrophobicContact CB-CG1 4.23Å; V72-V96 HydrophobicContact CB-CG1 4.45Å; V72-V96 HydrophobicContact CG1-CG1 4.38Å; I78-V96 HydrophobicContact CD1-CB 4.39Å; I78-V96 HydrophobicContact CD1-CG2 3.34Å; V92-V96 PolarHBondContact O-N 2.63Å; L93-V96 WeakPolarHBondContact O-CG2 3.27Å; L93-V96 PolarHBondContact O-N 2.88Å; N94-V96 VanDerWaalsContact C-N 3.25Å; N94-V96 PolarHBondContact O-N 3.09Å; V96-V98 VanDerWaalsContact C-N 3.31Å; V96-V98 HydrophobicContact CG2-CG2 3.82Å; V96-V98 PolarHBondContact O-N 2.96Å
97G94.1Very high95.6Very high45 Ų4550.1 Ų50.146%0.46428%0.277SS..THydrogen-bonded Turntrans70.517.1173.400000115.9L93 N94 R99L93-G97 PolarHBondContact O-N 3.3Å; N94-G97 PolarHBondContact O-N 3.12Å; G97-R99 PolarHBondContact O-N 3.27Å
98V96.2Very high95.8Very high17 Ų1747.2 Ų47.210%0.10326%0.257CS..  trans-70.5120.4173.1178.80000108.9V27 V39 P42 L93 V96 V101V27-V98 HydrophobicContact CG2-CG1 4.13Å; V27-V98 WeakPolarHBondContact CG2-O 3.32Å; V39-V98 HydrophobicContact CG1-CG1 4.16Å; V39-V98 HydrophobicContact CG1-CG2 4.03Å; P42-V98 HydrophobicContact CG-CG2 4.46Å; L93-V98 HydrophobicContact CB-CB 4.27Å; L93-V98 HydrophobicContact CD2-CB 4.12Å; L93-V98 HydrophobicContact CD2-CG1 4.07Å; L93-V98 HydrophobicContact CD2-CG2 4.23Å; L93-V98 WeakPolarHBondContact O-CB 3.41Å; L93-V98 PolarHBondContact O-N 2.9Å; V96-V98 VanDerWaalsContact C-N 3.31Å; V96-V98 HydrophobicContact CG2-CG2 3.82Å; V96-V98 PolarHBondContact O-N 2.96Å; V98-V101 HydrophobicContact CG1-CG1 3.94Å
99R95.6Very high96Very high205 Ų20544.5 Ų44.577%0.77424%0.238SC*.  trans-94.8-39.4-176.4-66.2-174.9179177.3-0.3113.7P26 V27 G97P26-R99 CarbonylContact C-O 3.55Å; P26-R99 VanDerWaalsContact CA-O 3.31Å; P26-R99 WeakPolarHBondContact CA-O 3.43Å; V27-R99 PolarHBondContact N-O 2.63Å; G97-R99 PolarHBondContact O-N 3.27Å
100D97Very high96.2Very high80 Ų8042.7 Ų42.743%0.42823%0.229SC..EExtended strand (participates in β ladder)trans-132.7144.8-172.7-58.7-80.7000109.9L24 L25L24-D100 HydrophobicContact CD1-CB 3.86Å; L24-D100 HydrophobicContact CD2-CB 4.2Å; L24-D100 HydrophobicContact CG-CB 3.91Å; L25-D100 CarbonylContact O-C 3.57Å; L25-D100 VanDerWaalsContact O-CA 3.3Å; L25-D100 WeakPolarHBondContact O-CA 3.28Å
101V97.5Very high96.4Very high3 Ų341.7 Ų41.72%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-133.8141.8179.7-73.80000110.4L25 V27 A30 L35 V39 L85 L93 V98 V103L25-V101 PolarHBondContact N-O 3.41Å; L25-V101 PolarHBondContact O-N 3.14Å; V27-V101 HydrophobicContact CG2-CG1 3.94Å; V27-V101 HydrophobicContact CG2-CG2 4.25Å; A30-V101 HydrophobicContact CB-CG2 3.51Å; L35-V101 HydrophobicContact CD2-CB 3.81Å; L35-V101 HydrophobicContact CD2-CG1 4.16Å; L35-V101 HydrophobicContact CD2-CG2 4.43Å; V39-V101 HydrophobicContact CG2-CG1 4.08Å; L85-V101 HydrophobicContact CD1-CG2 3.89Å; L93-V101 HydrophobicContact CD1-CG1 3.98Å; L93-V101 HydrophobicContact CD2-CG1 4.32Å; V98-V101 HydrophobicContact CG1-CG1 3.94Å; V101-V103 HydrophobicContact CG2-CG1 3.98Å
102K97.8Very high96.5Very high82 Ų8238 Ų3836%0.35720%0.198SC..EExtended strand (participates in β ladder)trans-82.4122.4171.1-67.7-166.7-156.6128.40109.8V23 L24 T36 E37V23-K102 WeakPolarHBondContact O-CA 3.34Å; L24-K102 HydrophobicContact CD1-CG 3.76Å; T36-K102 PolarHBondContact N-O 3.5Å; T36-K102 PolarHBondContact OG1-O 3.05Å; E37-K102 HydrophobicContact CG-CB 4.1Å; E37-K102 WeakPolarHBondContact OE1-CD 3.42Å; E37-K102 WeakPolarHBondContact OE1-CE 3.4Å; E37-K102 VanDerWaalsContact OE1-CG 3.25Å; E37-K102 WeakPolarHBondContact OE1-CG 3.47Å; E37-K102 IonicContact OE1-NZ 3.69Å; E37-K102 PolarHBondContact OE1-NZ 2.87Å; E37-K102 IonicContact OE2-NZ 2.92Å; E37-K102 PolarHBondContact OE2-NZ 3.33Å
103V97.4Very high96.6Very high0 Ų035.5 Ų35.50%018%0.182CC..EExtended strand (participates in β ladder)trans-128.9159.7-179.3-61.40000111.8S22 V23 L25 A30 H33 V34 L35 L85 V101 K105S22-V103 CarbonylContact C-O 3.53Å; S22-V103 VanDerWaalsContact CA-O 3.29Å; S22-V103 WeakPolarHBondContact CA-O 3.32Å; V23-V103 HydrophobicContact CG2-CG2 3.93Å; V23-V103 PolarHBondContact N-O 2.9Å; V23-V103 PolarHBondContact O-N 3.37Å; L25-V103 HydrophobicContact CB-CG2 4.41Å; L25-V103 HydrophobicContact CD1-CG2 3.64Å; L25-V103 HydrophobicContact CG-CG2 3.95Å; A30-V103 HydrophobicContact CB-CG1 4.28Å; H33-V103 HydrophobicContact CB-CB 3.66Å; H33-V103 HydrophobicContact CB-CG1 3.89Å; H33-V103 HydrophobicContact CB-CG2 3.71Å; V34-V103 CarbonylContact O-C 3.55Å; V34-V103 WeakPolarHBondContact O-CA 3.25Å; V34-V103 WeakPolarHBondContact O-CB 3.43Å; L35-V103 HydrophobicContact CD2-CG1 4.2Å; L85-V103 HydrophobicContact CD1-CG1 4.08Å; V101-V103 HydrophobicContact CG2-CG1 3.98Å; V103-K105 PolarHBondContact O-N 3.22Å
104A96.9Very high96.4Very high2 Ų235.6 Ų35.62%0.01718%0.183CC..EExtended strand (participates in β ladder)trans-67133.6175.700000109.7H33 V34 T36 K106 E256H33-A104 PolarHBondContact ND1-O 3.43Å; V34-A104 HydrophobicContact CB-CB 4.41Å; V34-A104 PolarHBondContact O-N 3.47Å; T36-A104 HydrophobicContact CG2-CB 3.8Å; T36-A104 VanDerWaalsContact CG2-N 3.32Å; A104-K106 PolarHBondContact O-N 3.04Å; A104-E256 HydrophobicContact CB-CB 4.36Å; A104-E256 WeakPolarHBondContact CB-O 3.39Å
105K96.1Very high96.2Very high101 Ų10132.1 Ų32.144%0.43917%0.165SC..PPolyproline II helixtrans-69.4128.1164.2-174.6-179.5172.9-177.10108.1Q21 V23 V103Q21-K105 HydrophobicContact CB-CB 4.02Å; Q21-K105 HydrophobicContact CB-CD 4.12Å; Q21-K105 WeakPolarHBondContact O-CB 3.48Å; Q21-K105 PolarHBondContact O-N 2.84Å; Q21-K105 VanDerWaalsContact OE1-CD 3.3Å; V23-K105 HydrophobicContact CG1-CB 4.34Å; V103-K105 PolarHBondContact O-N 3.22Å
106K95.9Very high96Very high41 Ų4134.4 Ų34.418%0.17817%0.174CC..PPolyproline II helixtrans-60140.1176.5-57.7-163.8172.6-900110.1D32 A104 G147 E256D32-K106 PolarHBondContact O-NZ 3.07Å; D32-K106 IonicContact OD2-NZ 3.7Å; D32-K106 PolarHBondContact OD2-NZ 3.22Å; A104-K106 PolarHBondContact O-N 3.04Å; K106-G147 WeakPolarHBondContact CD-O 3.12Å; K106-G147 WeakPolarHBondContact CE-O 3.41Å; K106-G147 PolarHBondContact NZ-O 2.98Å; K106-G147 VanDerWaalsContact NZ-O 3.14Å; K106-E256 WeakPolarHBondContact CG-OE1 3.23Å; K106-E256 IonicContact NZ-OE1 2.86Å; K106-E256 PolarHBondContact NZ-OE1 2.65Å
107P97Very high95.9Very high4 Ų438.6 Ų38.63%0.02619%0.193CC..PPolyproline II helixtrans-61.6139.6173.828-35000109.7F148 L252 M255P107-F148 HydrophobicContact CG-CD1 4.37Å; P107-F148 HydrophobicContact CG-CE1 4.16Å; P107-L252 HydrophobicContact CG-CD2 3.94Å; P107-M255 HydrophobicContact CB-CB 4.44Å; P107-M255 HydrophobicContact CB-CE 3.81Å; P107-M255 HydrophobicContact CB-SD 4.21Å; P107-M255 HydrophobicContact CG-CB 4.23Å
108S97.7Very high95.9Very high36 Ų3637.8 Ų37.825%0.25218%0.178SC..PPolyproline II helixtrans-77.3129171.646.40000110S173 A174 D175 V176S108-S173 VanDerWaalsContact CB-O 3.27Å; S108-S173 WeakPolarHBondContact CB-O 3.48Å; S108-S173 PolarHBondContact OG-O 2.93Å; S108-A174 WeakPolarHBondContact OG-CA 3.26Å; S108-D175 PolarHBondContact O-N 2.81Å; S108-D175 PolarHBondContact OG-N 3.17Å; S108-V176 PolarHBondContact O-N 3.38Å
109I98.7Very high95.9Very high3 Ų337.4 Ų37.42%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-117.7133.6-174-55.6169000108.9I111 M143 F148 A150 D151 V176 I178 L252I109-I111 HydrophobicContact CG2-CG1 4.23Å; I109-M143 HydrophobicContact CD1-CG 4.32Å; I109-M143 HydrophobicContact CD1-SD 4Å; I109-F148 HydrophobicContact CD1-CB 3.67Å; I109-F148 HydrophobicContact CD1-CD1 4.15Å; I109-F148 HydrophobicContact CD1-CG 4.01Å; I109-A150 HydrophobicContact CB-CB 4.29Å; I109-A150 HydrophobicContact CG2-CB 4.2Å; I109-A150 CarbonylContact O-C 3.59Å; I109-A150 WeakPolarHBondContact O-CA 3.34Å; I109-D151 PolarHBondContact O-N 3.09Å; I109-V176 CarbonylContact C-O 3.58Å; I109-V176 WeakPolarHBondContact CA-O 3.1Å; I109-I178 HydrophobicContact CG2-CD1 3.6Å; I109-I178 HydrophobicContact CG2-CG1 4.22Å; I109-L252 HydrophobicContact CD1-CD1 3.5Å; I109-L252 HydrophobicContact CD1-CD2 3.7Å; I109-L252 HydrophobicContact CD1-CG 4.21Å; I109-L252 HydrophobicContact CG1-CD1 4.49Å; I109-L252 HydrophobicContact CG1-CD2 3.89Å
110G98.5Very high96Very high0 Ų030.6 Ų30.60%015%0.153CC..EExtended strand (participates in β ladder)trans-114.3140.316700000111.6D151 F153 V176 I177 I178G110-D151 WeakPolarHBondContact CA-O 3.48Å; G110-F153 VanDerWaalsContact CA-CE2 3.48Å; G110-V176 PolarHBondContact N-O 3.36Å; G110-I177 CarbonylContact O-C 3.52Å; G110-I177 WeakPolarHBondContact O-CA 3.16Å; G110-I178 PolarHBondContact O-N 2.83Å
111I98.6Very high95.8Very high0 Ų031.6 Ų31.60%016%0.155CC..EExtended strand (participates in β ladder)trans-121.2132.2178.6-60174.7000110I109 R136 L139 I140 M143 A150 D151 F153 I178I109-I111 HydrophobicContact CG2-CG1 4.23Å; I111-R136 HydrophobicContact CG2-CB 4.21Å; I111-R136 HydrophobicContact CG2-CG 3.9Å; I111-L139 HydrophobicContact CD1-CB 3.79Å; I111-L139 HydrophobicContact CG2-CB 4.04Å; I111-L139 HydrophobicContact CG2-CD1 4.2Å; I111-I140 HydrophobicContact CB-CG1 4.18Å; I111-I140 HydrophobicContact CD1-CB 4.29Å; I111-I140 HydrophobicContact CD1-CG1 3.62Å; I111-I140 HydrophobicContact CG1-CG1 4.41Å; I111-I140 HydrophobicContact CG2-CG1 4.43Å; I111-M143 HydrophobicContact CD1-CG 3.91Å; I111-A150 HydrophobicContact CD1-CB 3.56Å; I111-A150 HydrophobicContact CG1-CB 4.06Å; I111-D151 PolarHBondContact N-O 3.05Å; I111-F153 WeakPolarHBondContact O-CB 3.47Å; I111-F153 PolarHBondContact O-N 2.86Å; I111-I178 WeakPolarHBondContact CA-O 3.39Å; I111-I178 HydrophobicContact CG1-CB 4.32Å; I111-I178 HydrophobicContact CG1-CD1 4.29Å
112V97.6Very high95.6Very high1 Ų135.4 Ų35.41%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-136.9143.5179.557.50000111F153 V156 L166 F167 I177 I178 S179 S180V112-F153 HydrophobicContact CB-CB 4.19Å; V112-V156 HydrophobicContact CG2-CB 4.18Å; V112-V156 HydrophobicContact CG2-CG1 3.89Å; V112-L166 HydrophobicContact CB-CD2 4.23Å; V112-L166 HydrophobicContact CG2-CD2 3.46Å; V112-L166 VanDerWaalsContact CG2-CD2 3.46Å; V112-F167 HydrophobicContact CG1-CE1 3.95Å; V112-F167 HydrophobicContact CG1-CZ 4.34Å; V112-I177 HydrophobicContact CG1-CG2 4.13Å; V112-I178 PolarHBondContact N-O 2.88Å; V112-S179 CarbonylContact O-C 3.56Å; V112-S179 VanDerWaalsContact O-CA 3.28Å; V112-S179 WeakPolarHBondContact O-CA 3.36Å; V112-S180 PolarHBondContact O-N 2.94Å
113S96.6Very high95.4Very high2 Ų234.4 Ų34.41%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-103.7147.7165.2-75.40000110.8D133 R136 G154 I155 V156S113-D133 WeakPolarHBondContact CB-OD2 3.42Å; S113-D133 PolarHBondContact OG-OD1 3.03Å; S113-D133 PolarHBondContact OG-OD2 3.12Å; S113-R136 WeakPolarHBondContact OG-CB 3.38Å; S113-G154 PolarHBondContact N-O 2.92Å; S113-I155 CarbonylContact O-C 3.51Å; S113-I155 VanDerWaalsContact O-CA 3.31Å; S113-I155 WeakPolarHBondContact O-CA 3.45Å; S113-V156 PolarHBondContact O-N 3.31Å
114T92.6Very high95.2Very high2 Ų240.3 Ų40.31%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-129.1146.1177.3146.50000108.6D158 S179 S180 G181 L191T114-D158 PolarHBondContact OG1-OD1 3.28Å; T114-S179 WeakPolarHBondContact CG2-OG 3.36Å; T114-S180 WeakPolarHBondContact CG2-O 3.37Å; T114-S180 PolarHBondContact N-O 3.37Å; T114-S180 VanDerWaalsContact N-O 3.07Å; T114-G181 WeakPolarHBondContact CG2-O 3.25Å; T114-L191 HydrophobicContact CG2-CD1 3.72Å
115G89.2Confident95.1Very high4 Ų446 Ų464%0.04125%0.248CC..  trans139.5125.2176.100000111.5E117 I118 D158G115-E117 VanDerWaalsContact CA-OE2 3.24Å; G115-E117 WeakPolarHBondContact CA-OE2 3.34Å; G115-E117 PolarHBondContact O-N 3.48Å; G115-I118 VanDerWaalsContact O-CB 3.31Å; G115-I118 WeakPolarHBondContact O-CB 3.43Å; G115-I118 PolarHBondContact O-N 2.96Å; G115-D158 WeakPolarHBondContact CA-OD2 3.22Å; G115-D158 PolarHBondContact N-OD1 3.4Å
116D90.3Very high95.1Very high94 Ų9444.5 Ų44.550%0.50324%0.244SC..THydrogen-bonded Turntrans-66-14.6174.4-71.5-15.8000112.7I118 K130 D158D116-I118 VanDerWaalsContact C-N 3.34Å; D116-K130 WeakPolarHBondContact O-CE 3.46Å; D116-K130 PolarHBondContact O-NZ 3Å; D116-D158 PolarHBondContact N-OD2 3.03Å; D116-D158 PolarHBondContact OD1-N 2.99Å; D116-D158 VanDerWaalsContact OD1-N 3.07Å
117E91.8Very high95.1Very high89 Ų8945.4 Ų45.442%0.41625%0.254SS..THydrogen-bonded Turntrans-80.6-14.5169.681-77.9-163.400112.8G115 K130 V131G115-E117 VanDerWaalsContact CA-OE2 3.24Å; G115-E117 WeakPolarHBondContact CA-OE2 3.34Å; G115-E117 PolarHBondContact O-N 3.48Å; E117-K130 CarbonylContact O-C 3.55Å; E117-K130 WeakPolarHBondContact O-CA 3.47Å; E117-K130 VanDerWaalsContact O-CD 3.25Å; E117-K130 WeakPolarHBondContact O-CD 3.36Å; E117-V131 HydrophobicContact CG-CG2 3.85Å; E117-V131 PolarHBondContact O-N 3Å
118I94.7Very high95Very high27 Ų2756.6 Ų56.614%0.13830%0.298CS..EExtended strand (participates in β ladder)trans-84.3141.6-171.2-52.1-64.8000110.5G115 D116 K130 V131 D133 I155G115-I118 VanDerWaalsContact O-CB 3.31Å; G115-I118 WeakPolarHBondContact O-CB 3.43Å; G115-I118 PolarHBondContact O-N 2.96Å; D116-I118 VanDerWaalsContact C-N 3.34Å; I118-K130 PolarHBondContact O-NZ 3.05Å; I118-V131 WeakPolarHBondContact CA-O 3.49Å; I118-V131 HydrophobicContact CD1-CG2 3.69Å; I118-D133 HydrophobicContact CG2-CB 3.57Å; I118-I155 HydrophobicContact CB-CG2 4.14Å; I118-I155 HydrophobicContact CG2-CD1 3.85Å; I118-I155 HydrophobicContact CG2-CG1 4.02Å; I118-I155 HydrophobicContact CG2-CG2 4.13Å
119C96.2Very high94.9Very high9 Ų957.7 Ų57.76%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-138.6160.3171.379.10000111.4I123 K130 V131 R132 D133C119-I123 HydrophobicContact CB-CD1 3.83Å; C119-K130 HydrophobicContact CB-CB 4.27Å; C119-K130 HydrophobicContact CB-CD 4.39Å; C119-K130 HydrophobicContact CB-CG 4.44Å; C119-V131 PolarHBondContact N-O 3.1Å; C119-R132 CarbonylContact O-C 3.52Å; C119-R132 WeakPolarHBondContact O-CA 3.49Å; C119-D133 PolarHBondContact O-N 3.41Å
120E97Very high94.8Very high63 Ų6361.1 Ų61.129%0.29433%0.33SS..  trans-55.1142.2176.2-72.2-61.5163.100112.6S122 I123 R136 I155E120-S122 PolarHBondContact O-N 3.19Å; E120-I123 HydrophobicContact CB-CD1 3.95Å; E120-I123 HydrophobicContact CB-CG1 4.12Å; E120-I123 WeakPolarHBondContact O-CB 3.45Å; E120-I123 PolarHBondContact O-N 3.2Å; E120-I123 VanDerWaalsContact O-N 3.13Å; E120-R136 VanDerWaalsContact CD-NH2 3.26Å; E120-R136 IonicContact OE1-CZ 3.24Å; E120-R136 IonicContact OE1-NH1 2.99Å; E120-R136 IonicContact OE1-NH2 2.96Å; E120-R136 PolarHBondContact OE1-NH2 2.78Å; E120-R136 IonicContact OE2-CZ 2.88Å; E120-R136 IonicContact OE2-NH2 2.63Å; E120-R136 PolarHBondContact OE2-NH2 3.24Å; E120-I155 HydrophobicContact CG-CD1 4.22Å
121H93.1Very high94.6Very high100 Ų10064.8 Ų64.846%0.46335%0.352SS..THydrogen-bonded Turntrans-67.1-17.5-177.760.774.7000113.6R132H121-R132 HydrophobicContact CB-CB 4.48Å; H121-R132 WeakPolarHBondContact O-CD 3.32Å
122S94.2Very high94.5Very high84 Ų8469 Ų6959%0.58737%0.367SS*.THydrogen-bonded Turntrans-79.7-14.3176.356.60000113.6E120 N124E120-S122 PolarHBondContact O-N 3.19Å; S122-N124 PolarHBondContact O-N 2.96Å
123I94.1Very high94.4Very high61 Ų6169 Ų6931%0.31337%0.368SS..  trans-68.6127.3-175-71.4168.5000111.2C119 E120 P127 R132C119-I123 HydrophobicContact CB-CD1 3.83Å; E120-I123 HydrophobicContact CB-CD1 3.95Å; E120-I123 HydrophobicContact CB-CG1 4.12Å; E120-I123 WeakPolarHBondContact O-CB 3.45Å; E120-I123 PolarHBondContact O-N 3.2Å; E120-I123 VanDerWaalsContact O-N 3.13Å; I123-P127 HydrophobicContact CG2-CG 4.18Å; I123-R132 PolarHBondContact O-NE 3.31Å; I123-R132 VanDerWaalsContact O-NE 3.16Å; I123-R132 PolarHBondContact O-NH2 3.01Å
124N93.1Very high94.4Very high123 Ų12371.5 Ų71.566%0.65838%0.383SS*.SBendtrans-145.8134.3172.2-79.2-50.5000110.4S122 R132S122-N124 PolarHBondContact O-N 2.96Å; N124-R132 PolarHBondContact OD1-NH2 3.08Å
125P94.9Very high94.7Very high121 Ų12171.6 Ų71.679%0.78638%0.383SS*.SBendcis-67.4158.2-6.931-35.5000112.1P127P125-P127 WeakPolarHBondContact O-CD 3.24Å
126L96.2Very high95.1Very high70 Ų7071.8 Ų71.837%0.36638%0.383SS..PPolyproline II helixtrans-67.3123.2176.5-173.164.2000109.5K130 R132L126-K130 HydrophobicContact CD1-CB 4.27Å; L126-K130 WeakPolarHBondContact CD2-O 3.35Å; L126-R132 HydrophobicContact CD1-CG 3.78Å
127P95Very high95.4Very high60 Ų6069.4 Ų69.439%0.3937%0.373SS..PPolyproline II helixtrans-64.4151.4177.2-19.932.1000111.4I123 P125 G129 K130I123-P127 HydrophobicContact CG2-CG 4.18Å; P125-P127 WeakPolarHBondContact O-CD 3.24Å; P127-G129 PolarHBondContact O-N 3.35Å; P127-K130 HydrophobicContact CB-CB 4.26Å; P127-K130 HydrophobicContact CB-CG 3.83Å; P127-K130 HydrophobicContact CG-CG 4.2Å; P127-K130 WeakPolarHBondContact O-CB 3.47Å; P127-K130 PolarHBondContact O-N 3.46Å; P127-K130 VanDerWaalsContact O-N 3.15Å
128Y95.9Very high95.7Very high240 Ų24066.6 Ų66.694%0.94136%0.36SS*.THydrogen-bonded Turntrans-59.4136.6176.7-177.2-98.4000111.2K130Y128-K130 PolarHBondContact O-N 3.03Å
129G94.9Very high95.9Very high59 Ų5965.3 Ų65.361%0.60835%0.353SS*.THydrogen-bonded Turntrans740.1-178.700000115P127P127-G129 PolarHBondContact O-N 3.35Å
130K95.4Very high96Very high75 Ų7565.4 Ų65.433%0.32635%0.353SS..  trans-97.9151.7176.7-64.5-68.5-166.1164.20112.3D116 E117 I118 C119 L126 P127 Y128D116-K130 WeakPolarHBondContact O-CE 3.46Å; D116-K130 PolarHBondContact O-NZ 3Å; E117-K130 CarbonylContact O-C 3.55Å; E117-K130 WeakPolarHBondContact O-CA 3.47Å; E117-K130 VanDerWaalsContact O-CD 3.25Å; E117-K130 WeakPolarHBondContact O-CD 3.36Å; I118-K130 PolarHBondContact O-NZ 3.05Å; C119-K130 HydrophobicContact CB-CB 4.27Å; C119-K130 HydrophobicContact CB-CD 4.39Å; C119-K130 HydrophobicContact CB-CG 4.44Å; L126-K130 HydrophobicContact CD1-CB 4.27Å; L126-K130 WeakPolarHBondContact CD2-O 3.35Å; P127-K130 HydrophobicContact CB-CB 4.26Å; P127-K130 HydrophobicContact CB-CG 3.83Å; P127-K130 HydrophobicContact CG-CG 4.2Å; P127-K130 WeakPolarHBondContact O-CB 3.47Å; P127-K130 PolarHBondContact O-N 3.46Å; P127-K130 VanDerWaalsContact O-N 3.15Å; Y128-K130 PolarHBondContact O-N 3.03Å
131V94.7Very high96Very high76 Ų7665 Ų6546%0.46136%0.357SS..EExtended strand (participates in β ladder)trans-125.6146.4166.7-59.60000109.5E117 I118 C119E117-V131 HydrophobicContact CG-CG2 3.85Å; E117-V131 PolarHBondContact O-N 3Å; I118-V131 WeakPolarHBondContact CA-O 3.49Å; I118-V131 HydrophobicContact CD1-CG2 3.69Å; C119-V131 PolarHBondContact N-O 3.1Å
132R96.7Very high96.2Very high88 Ų8860.3 Ų60.333%0.33234%0.336SS..EExtended strand (participates in β ladder)trans-72137.1179.9-66.3-171.4-173.987.4-2.6110.6C119 H121 I123 N124 L126 T134C119-R132 CarbonylContact O-C 3.52Å; C119-R132 WeakPolarHBondContact O-CA 3.49Å; H121-R132 HydrophobicContact CB-CB 4.48Å; H121-R132 WeakPolarHBondContact O-CD 3.32Å; I123-R132 PolarHBondContact O-NE 3.31Å; I123-R132 VanDerWaalsContact O-NE 3.16Å; I123-R132 PolarHBondContact O-NH2 3.01Å; N124-R132 PolarHBondContact OD1-NH2 3.08Å; L126-R132 HydrophobicContact CD1-CG 3.78Å; R132-T134 PolarHBondContact O-N 3.03Å; R132-T134 VanDerWaalsContact O-N 3.13Å
133D96.6Very high96.3Very high3 Ų356.3 Ų56.32%0.01631%0.308CS..  trans-63.5111.2172.3-171.1-2.8000110S113 I118 C119 N135 R136 I155S113-D133 WeakPolarHBondContact CB-OD2 3.42Å; S113-D133 PolarHBondContact OG-OD1 3.03Å; S113-D133 PolarHBondContact OG-OD2 3.12Å; I118-D133 HydrophobicContact CG2-CB 3.57Å; C119-D133 PolarHBondContact O-N 3.41Å; D133-N135 PolarHBondContact OD1-N 2.99Å; D133-R136 PolarHBondContact OD1-N 2.97Å; D133-R136 VanDerWaalsContact OD1-N 3.16Å; D133-R136 VanDerWaalsContact OD2-CB 3.31Å; D133-R136 WeakPolarHBondContact OD2-CB 3.33Å; D133-R136 IonicContact OD2-CZ 2.94Å; D133-R136 VanDerWaalsContact OD2-CZ 3.29Å; D133-R136 IonicContact OD2-NE 3.47Å; D133-R136 PolarHBondContact OD2-NE 3.46Å; D133-R136 IonicContact OD2-NH2 2.63Å; D133-R136 PolarHBondContact OD2-NH2 3.22Å; D133-I155 HydrophobicContact CB-CD1 4.07Å; D133-I155 HydrophobicContact CB-CG1 4.41Å
134T96.6Very high96.5Very high53 Ų5361.5 Ų61.533%0.32532%0.323SS..  trans-108.6-21.5176.350.50000111.9R132 M138 L310R132-T134 PolarHBondContact O-N 3.03Å; R132-T134 VanDerWaalsContact O-N 3.13Å; T134-M138 WeakPolarHBondContact O-CB 3.31Å; T134-M138 PolarHBondContact O-N 2.86Å; T134-L310 HydrophobicContact CG2-CD2 4.2Å
135N97.1Very high96.6Very high5 Ų560.1 Ų60.13%0.02731%0.313CS..Hα-helixtrans-81.7-43.5-170-68.3-2.6000111.3D133 M138 L139 S180 G235 P237 A240D133-N135 PolarHBondContact OD1-N 2.99Å; N135-M138 PolarHBondContact O-N 2.83Å; N135-L139 VanDerWaalsContact O-CB 3.32Å; N135-L139 WeakPolarHBondContact O-CB 3.38Å; N135-L139 WeakPolarHBondContact O-CG 3.33Å; N135-L139 PolarHBondContact O-N 3.44Å; N135-S180 WeakPolarHBondContact CB-OG 3.48Å; N135-S180 PolarHBondContact ND2-OG 3.47Å; N135-G235 PolarHBondContact ND2-O 3.34Å; N135-P237 WeakPolarHBondContact OD1-CA 3.38Å; N135-P237 WeakPolarHBondContact OD1-CB 3.41Å; N135-P237 WeakPolarHBondContact OD1-CG 3.34Å; N135-A240 HydrophobicContact CB-CB 4.45Å
136R97.8Very high96.5Very high8 Ų855.8 Ų55.83%0.0328%0.282CS..Hα-helixtrans-60.1-53.6177.8175.6166.859.384.45113I111 S113 E120 D133 M138 L139 I140 D152 G154I111-R136 HydrophobicContact CG2-CB 4.21Å; I111-R136 HydrophobicContact CG2-CG 3.9Å; S113-R136 WeakPolarHBondContact OG-CB 3.38Å; E120-R136 VanDerWaalsContact CD-NH2 3.26Å; E120-R136 IonicContact OE1-CZ 3.24Å; E120-R136 IonicContact OE1-NH1 2.99Å; E120-R136 IonicContact OE1-NH2 2.96Å; E120-R136 PolarHBondContact OE1-NH2 2.78Å; E120-R136 IonicContact OE2-CZ 2.88Å; E120-R136 IonicContact OE2-NH2 2.63Å; E120-R136 PolarHBondContact OE2-NH2 3.24Å; D133-R136 PolarHBondContact OD1-N 2.97Å; D133-R136 VanDerWaalsContact OD1-N 3.16Å; D133-R136 VanDerWaalsContact OD2-CB 3.31Å; D133-R136 WeakPolarHBondContact OD2-CB 3.33Å; D133-R136 IonicContact OD2-CZ 2.94Å; D133-R136 VanDerWaalsContact OD2-CZ 3.29Å; D133-R136 IonicContact OD2-NE 3.47Å; D133-R136 PolarHBondContact OD2-NE 3.46Å; D133-R136 IonicContact OD2-NH2 2.63Å; D133-R136 PolarHBondContact OD2-NH2 3.22Å; R136-M138 VanDerWaalsContact C-N 3.29Å; R136-M138 PolarHBondContact O-N 2.82Å; R136-L139 PolarHBondContact O-N 3.07Å; R136-I140 HydrophobicContact CG-CD1 3.87Å; R136-I140 VanDerWaalsContact O-CG1 3.29Å; R136-I140 WeakPolarHBondContact O-CG1 3.45Å; R136-I140 PolarHBondContact O-N 3.48Å; R136-D152 VanDerWaalsContact CD-OD1 3.24Å; R136-D152 WeakPolarHBondContact CD-OD1 3.42Å; R136-D152 IonicContact CZ-OD1 3.41Å; R136-D152 IonicContact NE-OD1 3.47Å; R136-D152 VanDerWaalsContact NH1-CG 3.29Å; R136-D152 IonicContact NH1-OD1 2.6Å; R136-D152 PolarHBondContact NH1-OD1 3.18Å; R136-D152 IonicContact NH1-OD2 3.64Å; R136-D152 PolarHBondContact NH1-OD2 2.88Å; R136-G154 WeakPolarHBondContact CD-O 3.42Å; R136-G154 PolarHBondContact NE-O 2.87Å
137P97.6Very high96.5Very high44 Ų4453.8 Ų53.829%0.28628%0.278SS..Hα-helixtrans-62.4-35.7176.523.3-33.6000112.6S141P137-S141 WeakPolarHBondContact O-CB 3.43Å; P137-S141 PolarHBondContact O-N 2.88Å
138M97.6Very high96.6Very high29 Ų2951.1 Ų51.114%0.14326%0.26CS..Hα-helixtrans-63.1-46.4174.6176.2-165.77500112T134 N135 R136 S141 L142 A240 W241 I313T134-M138 WeakPolarHBondContact O-CB 3.31Å; T134-M138 PolarHBondContact O-N 2.86Å; N135-M138 PolarHBondContact O-N 2.83Å; R136-M138 VanDerWaalsContact C-N 3.29Å; R136-M138 PolarHBondContact O-N 2.82Å; M138-S141 PolarHBondContact O-N 3.17Å; M138-L142 VanDerWaalsContact O-CB 3.29Å; M138-L142 WeakPolarHBondContact O-CB 3.49Å; M138-L142 PolarHBondContact O-N 3.17Å; M138-A240 HydrophobicContact CE-CB 3.92Å; M138-W241 HydrophobicContact CE-CB 3.81Å; M138-W241 HydrophobicContact SD-CB 3.77Å; M138-W241 HydrophobicContact SD-CG 4.11Å; M138-I313 HydrophobicContact SD-CD1 3.94Å
139L98.4Very high96.6Very high0 Ų042.2 Ų42.20%024%0.241CC..Hα-helixtrans-67.1-39.9179.9-70.4167000110.9I111 N135 R136 L142 M143 I178 L233 A244I111-L139 HydrophobicContact CD1-CB 3.79Å; I111-L139 HydrophobicContact CG2-CB 4.04Å; I111-L139 HydrophobicContact CG2-CD1 4.2Å; N135-L139 VanDerWaalsContact O-CB 3.32Å; N135-L139 WeakPolarHBondContact O-CB 3.38Å; N135-L139 WeakPolarHBondContact O-CG 3.33Å; N135-L139 PolarHBondContact O-N 3.44Å; R136-L139 PolarHBondContact O-N 3.07Å; L139-L142 PolarHBondContact O-N 3.43Å; L139-M143 VanDerWaalsContact O-CG 3.32Å; L139-M143 WeakPolarHBondContact O-CG 3.33Å; L139-M143 PolarHBondContact O-N 2.88Å; L139-I178 HydrophobicContact CD1-CG2 4.07Å; L139-L233 HydrophobicContact CD1-CD1 4.17Å; L139-L233 HydrophobicContact CD2-CD1 3.87Å; L139-A244 HydrophobicContact CD2-CB 3.73Å
140I98.5Very high96.8Very high12 Ų1240.1 Ų40.16%0.06222%0.218CC..Hα-helixtrans-60.4-47.2174.3-67.8164.4000110.4I111 R136 L142 M143 R144 D152I111-I140 HydrophobicContact CB-CG1 4.18Å; I111-I140 HydrophobicContact CD1-CB 4.29Å; I111-I140 HydrophobicContact CD1-CG1 3.62Å; I111-I140 HydrophobicContact CG1-CG1 4.41Å; I111-I140 HydrophobicContact CG2-CG1 4.43Å; R136-I140 HydrophobicContact CG-CD1 3.87Å; R136-I140 VanDerWaalsContact O-CG1 3.29Å; R136-I140 WeakPolarHBondContact O-CG1 3.45Å; R136-I140 PolarHBondContact O-N 3.48Å; I140-L142 VanDerWaalsContact C-N 3.31Å; I140-L142 PolarHBondContact O-N 3.42Å; I140-M143 PolarHBondContact O-N 3.44Å; I140-R144 WeakPolarHBondContact O-CG 3.46Å; I140-R144 PolarHBondContact O-N 2.81Å; I140-D152 HydrophobicContact CD1-CB 3.79Å; I140-D152 WeakPolarHBondContact CD1-OD2 3.4Å
141S97.4Very high96.9Very high55 Ų5540.4 Ų40.439%0.38522%0.223SC..Hα-helixtrans-59.8-44.2175.2-171.30000111.2P137 M138 M143 R144 E145P137-S141 WeakPolarHBondContact O-CB 3.43Å; P137-S141 PolarHBondContact O-N 2.88Å; M138-S141 PolarHBondContact O-N 3.17Å; S141-M143 PolarHBondContact O-N 3.39Å; S141-R144 WeakPolarHBondContact O-CB 3.47Å; S141-R144 PolarHBondContact O-N 2.92Å; S141-E145 WeakPolarHBondContact O-CG 3.44Å; S141-E145 PolarHBondContact O-N 3.27Å; S141-E145 PolarHBondContact OG-OE1 3.42Å
142L97Very high97.1Very high1 Ų140.9 Ų40.91%0.00522%0.224CC..Hα-helixtrans-63.5-39.4-179.5-179.161.6000112.7M138 L139 I140 R144 E145 H146 A244 H245 L249M138-L142 VanDerWaalsContact O-CB 3.29Å; M138-L142 WeakPolarHBondContact O-CB 3.49Å; M138-L142 PolarHBondContact O-N 3.17Å; L139-L142 PolarHBondContact O-N 3.43Å; I140-L142 VanDerWaalsContact C-N 3.31Å; I140-L142 PolarHBondContact O-N 3.42Å; L142-R144 VanDerWaalsContact C-N 3.33Å; L142-E145 WeakPolarHBondContact O-CB 3.32Å; L142-E145 PolarHBondContact O-N 3.16Å; L142-H146 VanDerWaalsContact CD1-CE1 3.49Å; L142-H146 WeakPolarHBondContact CD1-CE1 3.4Å; L142-H146 PolarHBondContact O-N 3.35Å; L142-H146 PolarHBondContact O-ND1 2.97Å; L142-A244 HydrophobicContact CD2-CB 3.56Å; L142-H245 WeakPolarHBondContact CD1-CE1 3.39Å; L142-L249 HydrophobicContact CD1-CD1 4.13Å; L142-L249 HydrophobicContact CD2-CD1 4.2Å; L142-L249 HydrophobicContact CG-CD1 4.09Å
143M97.8Very high97.1Very high0 Ų038.4 Ų38.40%022%0.215CC..Hα-helixtrans-62-44.4174.4-67.9-49.5102.500110.6I109 I111 L139 I140 S141 E145 H146 G147 F148 A150 I178 L249 L252I109-M143 HydrophobicContact CD1-CG 4.32Å; I109-M143 HydrophobicContact CD1-SD 4Å; I111-M143 HydrophobicContact CD1-CG 3.91Å; L139-M143 VanDerWaalsContact O-CG 3.32Å; L139-M143 WeakPolarHBondContact O-CG 3.33Å; L139-M143 PolarHBondContact O-N 2.88Å; I140-M143 PolarHBondContact O-N 3.44Å; S141-M143 PolarHBondContact O-N 3.39Å; M143-E145 PolarHBondContact O-N 3.25Å; M143-H146 CarbonylContact O-C 3.59Å; M143-H146 PolarHBondContact O-N 2.92Å; M143-H146 VanDerWaalsContact O-N 3.07Å; M143-G147 PolarHBondContact O-N 3.19Å; M143-F148 CarbonylContact C-O 3.55Å; M143-F148 HydrophobicContact CB-CB 4.06Å; M143-F148 PolarHBondContact O-N 3.47Å; M143-A150 HydrophobicContact CB-CB 4.11Å; M143-A150 HydrophobicContact CG-CB 4.09Å; M143-I178 HydrophobicContact CE-CD1 4.42Å; M143-I178 HydrophobicContact SD-CD1 4.05Å; M143-L249 HydrophobicContact CE-CD2 3.61Å; M143-L249 HydrophobicContact CE-CG 4.18Å; M143-L249 HydrophobicContact SD-CD2 4.04Å; M143-L252 HydrophobicContact SD-CD1 3.43Å; M143-L252 WeakPolarHBondContact SD-CD1 3.44Å
144R96.9Very high97.1Very high170 Ų17039 Ų3964%0.64222%0.222SC*.Hα-helixtrans-64.2-39.2177.9-68.6176.2-174.5168.23.2112.8I140 S141 L142 H146 G147 F148I140-R144 WeakPolarHBondContact O-CG 3.46Å; I140-R144 PolarHBondContact O-N 2.81Å; S141-R144 WeakPolarHBondContact O-CB 3.47Å; S141-R144 PolarHBondContact O-N 2.92Å; L142-R144 VanDerWaalsContact C-N 3.33Å; R144-H146 PolarHBondContact O-N 2.61Å; R144-H146 VanDerWaalsContact O-N 3.12Å; R144-G147 PolarHBondContact O-N 3.17Å; R144-G147 VanDerWaalsContact O-N 3.09Å; R144-F148 WeakPolarHBondContact CA-O 3.43Å; R144-F148 PolarHBondContact N-O 3.31Å
145E94.6Very high97.1Very high94 Ų9438.7 Ų38.744%0.43922%0.218SC..Hα-helixtrans-54.6-28.1173.4-75.9169.7-146.200111.9S141 L142 M143 R344S141-E145 WeakPolarHBondContact O-CG 3.44Å; S141-E145 PolarHBondContact O-N 3.27Å; S141-E145 PolarHBondContact OG-OE1 3.42Å; L142-E145 WeakPolarHBondContact O-CB 3.32Å; L142-E145 PolarHBondContact O-N 3.16Å; M143-E145 PolarHBondContact O-N 3.25Å; E145-R344 IonicContact OE1-NH2 3.13Å; E145-R344 PolarHBondContact OE1-NH2 3.44Å; E145-R344 IonicContact OE2-CZ 3.29Å; E145-R344 IonicContact OE2-NE 2.97Å; E145-R344 PolarHBondContact OE2-NE 3.46Å; E145-R344 IonicContact OE2-NH2 2.96Å; E145-R344 PolarHBondContact OE2-NH2 2.85Å
146H94.7Very high97Very high30 Ų3038.7 Ų38.714%0.13922%0.218CC..THydrogen-bonded Turntrans-108.418.1-177.7-6583.6000113.3L142 M143 R144 F148 L249 F253 F263L142-H146 VanDerWaalsContact CD1-CE1 3.49Å; L142-H146 WeakPolarHBondContact CD1-CE1 3.4Å; L142-H146 PolarHBondContact O-N 3.35Å; L142-H146 PolarHBondContact O-ND1 2.97Å; M143-H146 CarbonylContact O-C 3.59Å; M143-H146 PolarHBondContact O-N 2.92Å; M143-H146 VanDerWaalsContact O-N 3.07Å; R144-H146 PolarHBondContact O-N 2.61Å; R144-H146 VanDerWaalsContact O-N 3.12Å; H146-F148 VanDerWaalsContact C-N 3.33Å; H146-F148 HydrophobicContact CB-CD2 3.95Å; H146-F148 HydrophobicContact CB-CE2 4.17Å; H146-F148 VanDerWaalsContact O-CD2 3.28Å; H146-F148 WeakPolarHBondContact O-CD2 3.44Å; H146-F148 WeakPolarHBondContact O-CE2 3.41Å; H146-F148 PolarHBondContact O-N 3.33Å; H146-L249 HydrophobicContact CB-CD2 3.95Å; H146-F253 HydrophobicContact CB-CE2 4.29Å; H146-F253 HydrophobicContact CB-CZ 3.95Å; H146-F263 AromaticContact CD2-CE1 3.82Å; H146-F263 AromaticContact CD2-CZ 3.72Å; H146-F263 AromaticContact NE2-CE1 3.34Å; H146-F263 VanDerWaalsContact NE2-CE1 3.34Å; H146-F263 WeakPolarHBondContact NE2-CE1 3.3Å; H146-F263 AromaticContact NE2-CZ 3.55Å
147G94.8Very high96.7Very high27 Ų2741 Ų4128%0.27823%0.234SC..THydrogen-bonded Turntrans77.315.9174.600000114.9D32 K106 M143 R144D32-G147 WeakPolarHBondContact OD2-CA 3.13Å; K106-G147 WeakPolarHBondContact CD-O 3.12Å; K106-G147 WeakPolarHBondContact CE-O 3.41Å; K106-G147 PolarHBondContact NZ-O 2.98Å; K106-G147 VanDerWaalsContact NZ-O 3.14Å; M143-G147 PolarHBondContact O-N 3.19Å; R144-G147 PolarHBondContact O-N 3.17Å; R144-G147 VanDerWaalsContact O-N 3.09Å
148F96.9Very high96.2Very high4 Ų441.4 Ų41.42%0.01823%0.234CC..  trans-104.9134.4175.8-60.9-78.2000111.8P107 I109 M143 R144 H146 L252 F253 E256P107-F148 HydrophobicContact CG-CD1 4.37Å; P107-F148 HydrophobicContact CG-CE1 4.16Å; I109-F148 HydrophobicContact CD1-CB 3.67Å; I109-F148 HydrophobicContact CD1-CD1 4.15Å; I109-F148 HydrophobicContact CD1-CG 4.01Å; M143-F148 CarbonylContact C-O 3.55Å; M143-F148 HydrophobicContact CB-CB 4.06Å; M143-F148 PolarHBondContact O-N 3.47Å; R144-F148 WeakPolarHBondContact CA-O 3.43Å; R144-F148 PolarHBondContact N-O 3.31Å; H146-F148 VanDerWaalsContact C-N 3.33Å; H146-F148 HydrophobicContact CB-CD2 3.95Å; H146-F148 HydrophobicContact CB-CE2 4.17Å; H146-F148 VanDerWaalsContact O-CD2 3.28Å; H146-F148 WeakPolarHBondContact O-CD2 3.44Å; H146-F148 WeakPolarHBondContact O-CE2 3.41Å; H146-F148 PolarHBondContact O-N 3.33Å; F148-L252 HydrophobicContact CD2-CD1 4.35Å; F148-L252 HydrophobicContact CE1-CB 3.93Å; F148-L252 HydrophobicContact CE2-CB 3.96Å; F148-L252 HydrophobicContact CE2-CD1 4.49Å; F148-L252 HydrophobicContact CZ-CB 3.63Å; F148-F253 HydrophobicContact CE2-CD1 4.24Å; F148-F253 HydrophobicContact CE2-CD2 4.31Å; F148-F253 AromaticContact CE2-CE1 3.97Å; F148-F253 HydrophobicContact CE2-CE1 3.97Å; F148-F253 HydrophobicContact CE2-CE2 4.07Å; F148-F253 HydrophobicContact CE2-CG 4.42Å; F148-F253 AromaticContact CE2-CZ 3.89Å; F148-F253 HydrophobicContact CE2-CZ 3.89Å; F148-F253 HydrophobicContact CZ-CD1 4.03Å; F148-F253 HydrophobicContact CZ-CE1 4.14Å; F148-F253 HydrophobicContact CZ-CG 4.28Å; F148-F253 HydrophobicContact CZ-CZ 4.48Å; F148-E256 VanDerWaalsContact CE1-CD 3.43Å; F148-E256 HydrophobicContact CE1-CG 4.05Å; F148-E256 VanDerWaalsContact CE1-OE2 3.23Å; F148-E256 WeakPolarHBondContact CE1-OE2 3.33Å; F148-E256 WeakPolarHBondContact CZ-OE2 3.46Å
149G96.7Very high95.9Very high53 Ų5345.1 Ų45.155%0.54625%0.251SS..  trans-76.7146.5163.600000110.7
150A98.1Very high95.7Very high15 Ų1548.1 Ų48.112%0.12427%0.27CS..EExtended strand (participates in β ladder)trans-138.6126.417400000110.6I109 I111 M143I109-A150 HydrophobicContact CB-CB 4.29Å; I109-A150 HydrophobicContact CG2-CB 4.2Å; I109-A150 CarbonylContact O-C 3.59Å; I109-A150 WeakPolarHBondContact O-CA 3.34Å; I111-A150 HydrophobicContact CD1-CB 3.56Å; I111-A150 HydrophobicContact CG1-CB 4.06Å; M143-A150 HydrophobicContact CB-CB 4.11Å; M143-A150 HydrophobicContact CG-CB 4.09Å
151D98.3Very high95.5Very high81 Ų8153.9 Ų53.943%0.43330%0.301SS..EExtended strand (participates in β ladder)trans-75.3132172.8-68.6-26.5000109.4I109 G110 I111 F153I109-D151 PolarHBondContact O-N 3.09Å; G110-D151 WeakPolarHBondContact CA-O 3.48Å; I111-D151 PolarHBondContact N-O 3.05Å; D151-F153 HydrophobicContact CB-CD2 4.35Å; D151-F153 HydrophobicContact CB-CE2 3.71Å; D151-F153 HydrophobicContact CB-CZ 4.18Å
152D98Very high95.4Very high87 Ų8753.1 Ų53.147%0.46530%0.296SS..EExtended strand (participates in β ladder)trans-88.8111.8178.8-170.7-19.8000110R136 I140 G154R136-D152 VanDerWaalsContact CD-OD1 3.24Å; R136-D152 WeakPolarHBondContact CD-OD1 3.42Å; R136-D152 IonicContact CZ-OD1 3.41Å; R136-D152 IonicContact NE-OD1 3.47Å; R136-D152 VanDerWaalsContact NH1-CG 3.29Å; R136-D152 IonicContact NH1-OD1 2.6Å; R136-D152 PolarHBondContact NH1-OD1 3.18Å; R136-D152 IonicContact NH1-OD2 3.64Å; R136-D152 PolarHBondContact NH1-OD2 2.88Å; I140-D152 HydrophobicContact CD1-CB 3.79Å; I140-D152 WeakPolarHBondContact CD1-OD2 3.4Å; D152-G154 WeakPolarHBondContact OD1-CA 3.43Å; D152-G154 PolarHBondContact OD1-N 2.97Å
153F97.6Very high95.3Very high36 Ų3653.1 Ų53.116%0.15830%0.296CS..EExtended strand (participates in β ladder)trans-97.68.6178.2-74.7-74.8000113.1G110 I111 V112 D151 L166 M169 A170 I177G110-F153 VanDerWaalsContact CA-CE2 3.48Å; I111-F153 WeakPolarHBondContact O-CB 3.47Å; I111-F153 PolarHBondContact O-N 2.86Å; V112-F153 HydrophobicContact CB-CB 4.19Å; D151-F153 HydrophobicContact CB-CD2 4.35Å; D151-F153 HydrophobicContact CB-CE2 3.71Å; D151-F153 HydrophobicContact CB-CZ 4.18Å; F153-L166 HydrophobicContact CB-CD1 4.15Å; F153-L166 HydrophobicContact CD1-CD1 4.13Å; F153-M169 HydrophobicContact CD1-CE 3.8Å; F153-M169 HydrophobicContact CE1-CE 3.93Å; F153-A170 HydrophobicContact CD1-CB 3.77Å; F153-A170 HydrophobicContact CD2-CB 4.02Å; F153-A170 HydrophobicContact CE1-CB 3.52Å; F153-A170 HydrophobicContact CE2-CB 3.77Å; F153-A170 HydrophobicContact CG-CB 4.01Å; F153-A170 VanDerWaalsContact CZ-CA 3.46Å; F153-A170 HydrophobicContact CZ-CB 3.52Å; F153-I177 HydrophobicContact CD2-CD1 4.39Å; F153-I177 HydrophobicContact CE2-CD1 4.17Å
154G96.9Very high95.3Very high15 Ų1554.3 Ų54.316%0.15530%0.302CS..EExtended strand (participates in β ladder)trans71.6-152.7173.300000114.5S113 R136 D152S113-G154 PolarHBondContact N-O 2.92Å; R136-G154 WeakPolarHBondContact CD-O 3.42Å; R136-G154 PolarHBondContact NE-O 2.87Å; D152-G154 WeakPolarHBondContact OD1-CA 3.43Å; D152-G154 PolarHBondContact OD1-N 2.97Å
155I96.1Very high95.3Very high46 Ų4649.1 Ų49.124%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-106.6128.8177.2-59.2157.1000108.1S113 I118 E120 D133S113-I155 CarbonylContact O-C 3.51Å; S113-I155 VanDerWaalsContact O-CA 3.31Å; S113-I155 WeakPolarHBondContact O-CA 3.45Å; I118-I155 HydrophobicContact CB-CG2 4.14Å; I118-I155 HydrophobicContact CG2-CD1 3.85Å; I118-I155 HydrophobicContact CG2-CG1 4.02Å; I118-I155 HydrophobicContact CG2-CG2 4.13Å; E120-I155 HydrophobicContact CG-CD1 4.22Å; D133-I155 HydrophobicContact CB-CD1 4.07Å; D133-I155 HydrophobicContact CB-CG1 4.41Å
156V94.8Very high95.4Very high6 Ų645.8 Ų45.84%0.03628%0.28CS..EExtended strand (participates in β ladder)trans-102.2131.7174.371.10000110.5V112 S113 I163 L166V112-V156 HydrophobicContact CG2-CB 4.18Å; V112-V156 HydrophobicContact CG2-CG1 3.89Å; S113-V156 PolarHBondContact O-N 3.31Å; V156-I163 HydrophobicContact CG1-CG1 4.39Å; V156-I163 HydrophobicContact CG2-CG1 4.05Å; V156-L166 HydrophobicContact CB-CD2 3.66Å; V156-L166 HydrophobicContact CG1-CD2 4.21Å; V156-L166 HydrophobicContact CG2-CB 4.27Å; V156-L166 HydrophobicContact CG2-CD2 3.89Å
157P91.1Very high95.5Very high56 Ų5644.3 Ų44.336%0.36427%0.274SS..  trans-62.4155169.6-2032.1000111.5E159P157-E159 HydrophobicContact CB-CG 4.22Å; P157-E159 PolarHBondContact O-N 3.25Å
158D88.5Confident95.6Very high52 Ų5247.5 Ų47.528%0.27828%0.28SS..SBendtrans-79.755.7177.9-67.6-23.5000111.6T114 G115 D116 L190T114-D158 PolarHBondContact OG1-OD1 3.28Å; G115-D158 WeakPolarHBondContact CA-OD2 3.22Å; G115-D158 PolarHBondContact N-OD1 3.4Å; D116-D158 PolarHBondContact N-OD2 3.03Å; D116-D158 PolarHBondContact OD1-N 2.99Å; D116-D158 VanDerWaalsContact OD1-N 3.07Å; D158-L190 HydrophobicContact CB-CD1 4.46Å; D158-L190 WeakPolarHBondContact O-CD1 3.32Å
159E91.2Very high95.6Very high107 Ų10752.1 Ų52.150%0.530%0.303SS..  trans-121.7128.3-179.5-66.1176.7167.500110P157 D161 S162 I163P157-E159 HydrophobicContact CB-CG 4.22Å; P157-E159 PolarHBondContact O-N 3.25Å; E159-D161 VanDerWaalsContact C-N 3.34Å; E159-D161 PolarHBondContact O-N 2.76Å; E159-S162 PolarHBondContact O-N 2.82Å; E159-S162 VanDerWaalsContact O-N 3.14Å; E159-S162 PolarHBondContact OE2-OG 3.37Å; E159-S162 VanDerWaalsContact OE2-OG 3.06Å; E159-I163 VanDerWaalsContact O-CG1 3.3Å; E159-I163 WeakPolarHBondContact O-CG1 3.39Å; E159-I163 PolarHBondContact O-N 3.48Å
160P92.8Very high95.7Very high63 Ų6349.7 Ų49.741%0.40928%0.277SS..Hα-helixtrans-53.4-45.3-174.3-27.834.1000114.4I163 L164 L190 V194P160-I163 PolarHBondContact O-N 3.19Å; P160-L164 VanDerWaalsContact O-CB 3.29Å; P160-L164 WeakPolarHBondContact O-CB 3.5Å; P160-L164 PolarHBondContact O-N 2.9Å; P160-L190 HydrophobicContact CG-CD2 4.21Å; P160-V194 HydrophobicContact CB-CG2 4.16Å
161D95.4Very high95.7Very high134 Ų13449 Ų4972%0.71727%0.271SS*.Hα-helixtrans-67.1-40.5-178.6-70.3-33.1000112.1E159 L164 A165E159-D161 VanDerWaalsContact C-N 3.34Å; E159-D161 PolarHBondContact O-N 2.76Å; D161-L164 PolarHBondContact O-N 2.89Å; D161-A165 VanDerWaalsContact O-CB 3.24Å; D161-A165 WeakPolarHBondContact O-CB 3.44Å; D161-A165 PolarHBondContact O-N 2.9Å
162S95.2Very high95.6Very high39 Ų3951.8 Ų51.827%0.27328%0.28SS..Hα-helixtrans-64.1-44.5176.8-64.60000111.1E159 L166E159-S162 PolarHBondContact O-N 2.82Å; E159-S162 VanDerWaalsContact O-N 3.14Å; E159-S162 PolarHBondContact OE2-OG 3.37Å; E159-S162 VanDerWaalsContact OE2-OG 3.06Å; S162-L166 WeakPolarHBondContact O-CB 3.23Å; S162-L166 PolarHBondContact O-N 3.35Å
163I95Very high95.4Very high1 Ų150.5 Ų50.51%0.00528%0.277CS..Hα-helixtrans-62.4-47.6175.8-66.3170.8000110.8V156 E159 P160 L166 F167 L190 L191 V194V156-I163 HydrophobicContact CG1-CG1 4.39Å; V156-I163 HydrophobicContact CG2-CG1 4.05Å; E159-I163 VanDerWaalsContact O-CG1 3.3Å; E159-I163 WeakPolarHBondContact O-CG1 3.39Å; E159-I163 PolarHBondContact O-N 3.48Å; P160-I163 PolarHBondContact O-N 3.19Å; I163-L166 PolarHBondContact O-N 2.69Å; I163-F167 HydrophobicContact CG2-CD2 3.6Å; I163-F167 HydrophobicContact CG2-CE2 3.42Å; I163-F167 VanDerWaalsContact CG2-CE2 3.42Å; I163-F167 WeakPolarHBondContact O-CD2 3.09Å; I163-F167 PolarHBondContact O-N 2.84Å; I163-L190 HydrophobicContact CD1-CB 4.09Å; I163-L191 HydrophobicContact CG2-CG 4.37Å; I163-V194 HydrophobicContact CB-CG1 4.48Å; I163-V194 HydrophobicContact CB-CG2 4.38Å; I163-V194 HydrophobicContact CG2-CB 3.94Å; I163-V194 HydrophobicContact CG2-CG1 3.85Å; I163-V194 HydrophobicContact CG2-CG2 4.16Å
164L96.9Very high95.5Very high25 Ų2548.8 Ų48.813%0.13127%0.27CS..Hα-helixtrans-63.1-46.3-179.3179.858.7000111.6P160 D161 L166 K168 V194 D198 L199P160-L164 VanDerWaalsContact O-CB 3.29Å; P160-L164 WeakPolarHBondContact O-CB 3.5Å; P160-L164 PolarHBondContact O-N 2.9Å; D161-L164 PolarHBondContact O-N 2.89Å; L164-L166 VanDerWaalsContact C-N 3.35Å; L164-K168 HydrophobicContact CD1-CD 4.2Å; L164-K168 HydrophobicContact CD1-CG 4.28Å; L164-K168 HydrophobicContact CG-CD 4.28Å; L164-K168 WeakPolarHBondContact O-CB 3.46Å; L164-K168 WeakPolarHBondContact O-CG 3.46Å; L164-K168 PolarHBondContact O-N 3.13Å; L164-V194 HydrophobicContact CB-CG1 3.77Å; L164-V194 HydrophobicContact CD1-CG1 3.94Å; L164-V194 HydrophobicContact CG-CG1 4.45Å; L164-D198 HydrophobicContact CD1-CB 3.67Å; L164-D198 HydrophobicContact CD2-CB 4.18Å; L164-L199 HydrophobicContact CD1-CD1 4.26Å; L164-L199 HydrophobicContact CD1-CD2 3.55Å; L164-L199 HydrophobicContact CD1-CG 3.78Å
165A97.3Very high95.5Very high61 Ų6148.2 Ų48.250%0.50426%0.264SS..Hα-helixtrans-61-44.7178.300000111.3D161 M169D161-A165 VanDerWaalsContact O-CB 3.24Å; D161-A165 WeakPolarHBondContact O-CB 3.44Å; D161-A165 PolarHBondContact O-N 2.9Å; A165-M169 PolarHBondContact O-N 2.98Å
166L97Very high95.6Very high23 Ų2346 Ų4612%0.1225%0.252CS..Hα-helixtrans-61.7-51.5178.4-175.969000111.7V112 F153 V156 S162 I163 L164 K168 M169 A170V112-L166 HydrophobicContact CB-CD2 4.23Å; V112-L166 HydrophobicContact CG2-CD2 3.46Å; V112-L166 VanDerWaalsContact CG2-CD2 3.46Å; F153-L166 HydrophobicContact CB-CD1 4.15Å; F153-L166 HydrophobicContact CD1-CD1 4.13Å; V156-L166 HydrophobicContact CB-CD2 3.66Å; V156-L166 HydrophobicContact CG1-CD2 4.21Å; V156-L166 HydrophobicContact CG2-CB 4.27Å; V156-L166 HydrophobicContact CG2-CD2 3.89Å; S162-L166 WeakPolarHBondContact O-CB 3.23Å; S162-L166 PolarHBondContact O-N 3.35Å; I163-L166 PolarHBondContact O-N 2.69Å; L164-L166 VanDerWaalsContact C-N 3.35Å; L166-K168 PolarHBondContact O-N 2.88Å; L166-M169 HydrophobicContact CD1-CE 3.83Å; L166-M169 WeakPolarHBondContact O-CB 3.31Å; L166-M169 PolarHBondContact O-N 2.99Å; L166-M169 VanDerWaalsContact O-N 3.13Å; L166-A170 WeakPolarHBondContact O-CB 3.14Å; L166-A170 PolarHBondContact O-N 2.84Å
167F97.1Very high95.8Very high0 Ų045.8 Ų45.80%025%0.251CS..Hα-helixtrans-69-33.7-177.1-71.4-48.3000112.8V112 I163 M169 A170 F171 I177 L191 L195 L199 F230V112-F167 HydrophobicContact CG1-CE1 3.95Å; V112-F167 HydrophobicContact CG1-CZ 4.34Å; I163-F167 HydrophobicContact CG2-CD2 3.6Å; I163-F167 HydrophobicContact CG2-CE2 3.42Å; I163-F167 VanDerWaalsContact CG2-CE2 3.42Å; I163-F167 WeakPolarHBondContact O-CD2 3.09Å; I163-F167 PolarHBondContact O-N 2.84Å; F167-M169 VanDerWaalsContact C-N 3.31Å; F167-M169 PolarHBondContact O-N 2.9Å; F167-A170 PolarHBondContact O-N 3.38Å; F167-F171 HydrophobicContact CB-CD2 4.03Å; F167-F171 HydrophobicContact CB-CE2 3.99Å; F167-F171 HydrophobicContact CD1-CE2 4.22Å; F167-F171 HydrophobicContact CG-CE2 4.29Å; F167-F171 WeakPolarHBondContact O-CB 3.31Å; F167-F171 WeakPolarHBondContact O-CD2 3.24Å; F167-F171 PolarHBondContact O-N 3.29Å; F167-I177 HydrophobicContact CD1-CG2 4.08Å; F167-I177 HydrophobicContact CE1-CG2 3.65Å; F167-L191 HydrophobicContact CE2-CD1 4.43Å; F167-L191 HydrophobicContact CE2-CD2 3.53Å; F167-L191 HydrophobicContact CE2-CG 3.82Å; F167-L191 HydrophobicContact CZ-CD1 4.22Å; F167-L191 HydrophobicContact CZ-CD2 3.77Å; F167-L191 HydrophobicContact CZ-CG 4.09Å; F167-L195 HydrophobicContact CD2-CD2 4.09Å; F167-L195 HydrophobicContact CD2-CG 4.45Å; F167-L195 HydrophobicContact CE2-CD2 4.37Å; F167-L195 HydrophobicContact CE2-CG 4.4Å; F167-L195 HydrophobicContact CG-CD2 4.38Å; F167-L199 HydrophobicContact CB-CD1 3.68Å; F167-F230 HydrophobicContact CE1-CD2 4.23Å; F167-F230 AromaticContact CE1-CE2 3.67Å; F167-F230 HydrophobicContact CE1-CE2 3.67Å; F167-F230 HydrophobicContact CE2-CE2 4.38Å; F167-F230 HydrophobicContact CZ-CD2 4.42Å; F167-F230 AromaticContact CZ-CE2 3.56Å; F167-F230 HydrophobicContact CZ-CE2 3.56Å; F167-F230 HydrophobicContact CZ-CZ 4.27Å
168K97.5Very high96.2Very high93 Ų9343.1 Ų43.140%0.40423%0.234SC..Hα-helixtrans-58.8-44.6169-78.9-179.3174.7168.80111.2L164 L166 L199 M223 Y224L164-K168 HydrophobicContact CD1-CD 4.2Å; L164-K168 HydrophobicContact CD1-CG 4.28Å; L164-K168 HydrophobicContact CG-CD 4.28Å; L164-K168 WeakPolarHBondContact O-CB 3.46Å; L164-K168 WeakPolarHBondContact O-CG 3.46Å; L164-K168 PolarHBondContact O-N 3.13Å; L166-K168 PolarHBondContact O-N 2.88Å; K168-L199 HydrophobicContact CG-CD2 3.89Å; K168-M223 HydrophobicContact CG-CE 4.3Å; K168-Y224 PolarHBondContact O-OH 3.36Å
169M97.2Very high96.6Very high102 Ų10240.7 Ų40.750%0.50222%0.22SC..Hα-helixtrans-64.7-48.7176.2-176.3-177.266.300111.5F153 A165 L166 F167 K172F153-M169 HydrophobicContact CD1-CE 3.8Å; F153-M169 HydrophobicContact CE1-CE 3.93Å; A165-M169 PolarHBondContact O-N 2.98Å; L166-M169 HydrophobicContact CD1-CE 3.83Å; L166-M169 WeakPolarHBondContact O-CB 3.31Å; L166-M169 PolarHBondContact O-N 2.99Å; L166-M169 VanDerWaalsContact O-N 3.13Å; F167-M169 VanDerWaalsContact C-N 3.31Å; F167-M169 PolarHBondContact O-N 2.9Å; M169-K172 WeakPolarHBondContact O-CB 3.14Å; M169-K172 PolarHBondContact O-N 2.8Å
170A97.6Very high96.7Very high1 Ų135.8 Ų35.81%0.00820%0.198CC..Hα-helixtrans-67-42.4-172.200000112.6F153 L166 F167 K172 S173 A174 I177F153-A170 HydrophobicContact CD1-CB 3.77Å; F153-A170 HydrophobicContact CD2-CB 4.02Å; F153-A170 HydrophobicContact CE1-CB 3.52Å; F153-A170 HydrophobicContact CE2-CB 3.77Å; F153-A170 HydrophobicContact CG-CB 4.01Å; F153-A170 VanDerWaalsContact CZ-CA 3.46Å; F153-A170 HydrophobicContact CZ-CB 3.52Å; L166-A170 WeakPolarHBondContact O-CB 3.14Å; L166-A170 PolarHBondContact O-N 2.84Å; F167-A170 PolarHBondContact O-N 3.38Å; A170-K172 PolarHBondContact O-N 2.82Å; A170-K172 VanDerWaalsContact O-N 3.16Å; A170-S173 PolarHBondContact O-N 3.13Å; A170-A174 VanDerWaalsContact O-CB 3.31Å; A170-A174 WeakPolarHBondContact O-CB 3.37Å; A170-A174 PolarHBondContact O-N 3.46Å; A170-I177 HydrophobicContact CB-CD1 3.61Å; A170-I177 HydrophobicContact CB-CG1 4.37Å
171F97.8Very high96.5Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-70.1-8.1178.4-74.4-57.4000114.4F167 S173 I177 L195 F201 M223 Y224 K228 F230F167-F171 HydrophobicContact CB-CD2 4.03Å; F167-F171 HydrophobicContact CB-CE2 3.99Å; F167-F171 HydrophobicContact CD1-CE2 4.22Å; F167-F171 HydrophobicContact CG-CE2 4.29Å; F167-F171 WeakPolarHBondContact O-CB 3.31Å; F167-F171 WeakPolarHBondContact O-CD2 3.24Å; F167-F171 PolarHBondContact O-N 3.29Å; F171-S173 VanDerWaalsContact C-N 3.34Å; F171-I177 HydrophobicContact CD1-CG1 3.68Å; F171-I177 HydrophobicContact CE1-CB 3.86Å; F171-I177 HydrophobicContact CE1-CG1 3.26Å; F171-I177 HydrophobicContact CE2-CG1 4.28Å; F171-I177 HydrophobicContact CG-CG1 4.34Å; F171-I177 HydrophobicContact CZ-CB 3.89Å; F171-I177 HydrophobicContact CZ-CG1 3.59Å; F171-L195 HydrophobicContact CE2-CD2 4.12Å; F171-F201 HydrophobicContact CD1-CZ 4.3Å; F171-F201 HydrophobicContact CD2-CE2 4.34Å; F171-F201 AromaticContact CD2-CZ 3.96Å; F171-F201 HydrophobicContact CD2-CZ 3.96Å; F171-F201 HydrophobicContact CE1-CE1 4.11Å; F171-F201 AromaticContact CE1-CZ 3.81Å; F171-F201 HydrophobicContact CE1-CZ 3.81Å; F171-F201 HydrophobicContact CE2-CE1 4.06Å; F171-F201 AromaticContact CE2-CE2 3.99Å; F171-F201 HydrophobicContact CE2-CE2 3.99Å; F171-F201 AromaticContact CE2-CZ 3.44Å; F171-F201 HydrophobicContact CE2-CZ 3.44Å; F171-F201 VanDerWaalsContact CE2-CZ 3.44Å; F171-F201 HydrophobicContact CG-CZ 4.38Å; F171-F201 AromaticContact CZ-CE1 3.61Å; F171-F201 HydrophobicContact CZ-CE1 3.61Å; F171-F201 HydrophobicContact CZ-CE2 4.34Å; F171-F201 AromaticContact CZ-CZ 3.37Å; F171-F201 HydrophobicContact CZ-CZ 3.37Å; F171-M223 HydrophobicContact CB-CB 4.17Å; F171-M223 HydrophobicContact CB-CE 4.4Å; F171-M223 HydrophobicContact CB-CG 4.19Å; F171-M223 HydrophobicContact CD2-CG 4.42Å; F171-M223 HydrophobicContact CG-CG 4.38Å; F171-Y224 HydrophobicContact CB-CE2 4.4Å; F171-Y224 WeakPolarHBondContact O-CD2 3.24Å; F171-K228 HydrophobicContact CD1-CB 3.79Å; F171-K228 HydrophobicContact CD1-CD 4.16Å; F171-K228 HydrophobicContact CD1-CG 3.89Å; F171-K228 HydrophobicContact CE1-CB 3.9Å; F171-K228 HydrophobicContact CE1-CG 4.49Å; F171-K228 HydrophobicContact CG-CG 4.41Å; F171-K228 VanDerWaalsContact O-CE 3.24Å; F171-K228 WeakPolarHBondContact O-CE 3.4Å; F171-K228 PolarHBondContact O-NZ 2.82Å; F171-F230 HydrophobicContact CZ-CB 4.27Å; F171-F230 HydrophobicContact CZ-CD2 4.3Å
172K96.9Very high95.7Very high141 Ų14128 Ų2861%0.61316%0.161SC*.Hα-helixtrans-62.3-43.9170.2-73.8177.3-179.8-179.90111.2M169 A170 Y224M169-K172 WeakPolarHBondContact O-CB 3.14Å; M169-K172 PolarHBondContact O-N 2.8Å; A170-K172 PolarHBondContact O-N 2.82Å; A170-K172 VanDerWaalsContact O-N 3.16Å; K172-Y224 HydrophobicContact CB-CE2 4.11Å; K172-Y224 WeakPolarHBondContact CE-OH 3.42Å; K172-Y224 HydrophobicContact CG-CD2 4.2Å; K172-Y224 HydrophobicContact CG-CE1 4.15Å; K172-Y224 HydrophobicContact CG-CE2 3.43Å; K172-Y224 VanDerWaalsContact CG-CE2 3.43Å; K172-Y224 VanDerWaalsContact CG-CZ 3.41Å; K172-Y224 WeakPolarHBondContact CG-OH 3.41Å
173S94.4Very high94.7Very high59 Ų5926.4 Ų26.441%0.41315%0.149SC..Hα-helixtrans-103.3-38.5-177.957.50000112.8S108 A170 F171S108-S173 VanDerWaalsContact CB-O 3.27Å; S108-S173 WeakPolarHBondContact CB-O 3.48Å; S108-S173 PolarHBondContact OG-O 2.93Å; A170-S173 PolarHBondContact O-N 3.13Å; F171-S173 VanDerWaalsContact C-N 3.34Å
174A98Very high93.6Very high0 Ų030 Ų300%017%0.174CC..  trans-82.3137.1-174.400000112.4S108 A170 I177 K228S108-A174 WeakPolarHBondContact OG-CA 3.26Å; A170-A174 VanDerWaalsContact O-CB 3.31Å; A170-A174 WeakPolarHBondContact O-CB 3.37Å; A170-A174 PolarHBondContact O-N 3.46Å; A174-I177 HydrophobicContact CB-CD1 3.39Å; A174-I177 HydrophobicContact CB-CG1 4.17Å; A174-K228 WeakPolarHBondContact O-CD 3.37Å; A174-K228 WeakPolarHBondContact O-CE 3.24Å; A174-K228 PolarHBondContact O-NZ 2.84Å
175D98Very high91.6Very high4 Ų434.2 Ų34.22%0.02120%0.195CC..SBendtrans-87.1-30.2169.2-69.3-22.5000111.2Y18 S108 R226 K228 F229 M255Y18-D175 HydrophobicContact CE2-CB 3.89Å; Y18-D175 PolarHBondContact OH-OD2 2.94Å; S108-D175 PolarHBondContact O-N 2.81Å; S108-D175 PolarHBondContact OG-N 3.17Å; D175-R226 IonicContact OD1-CZ 3.93Å; D175-R226 VanDerWaalsContact OD1-CZ 3.24Å; D175-R226 IonicContact OD1-NH1 2.88Å; D175-R226 PolarHBondContact OD1-NH1 3.37Å; D175-R226 IonicContact OD1-NH2 3.79Å; D175-R226 PolarHBondContact OD1-NH2 3.37Å; D175-R226 VanDerWaalsContact OD1-NH2 3.13Å; D175-R226 IonicContact OD2-CZ 2.86Å; D175-R226 IonicContact OD2-NH1 3.8Å; D175-R226 IonicContact OD2-NH2 3.45Å; D175-R226 PolarHBondContact OD2-NH2 2.94Å; D175-K228 IonicContact OD1-NZ 2.67Å; D175-K228 PolarHBondContact OD1-NZ 3.22Å; D175-F229 PolarHBondContact O-N 3.48Å; D175-M255 HydrophobicContact CB-CE 4.36Å
176V98.6Very high89.6Confident0 Ų033.6 Ų33.60%019%0.194CC..EExtended strand (participates in β ladder)trans-127.3130.6176-173.50000109.9S108 I109 G110 I178 F229 F231 L252 M255S108-V176 PolarHBondContact O-N 3.38Å; I109-V176 CarbonylContact C-O 3.58Å; I109-V176 WeakPolarHBondContact CA-O 3.1Å; G110-V176 PolarHBondContact N-O 3.36Å; V176-I178 HydrophobicContact CG1-CG1 4.28Å; V176-F229 WeakPolarHBondContact CA-O 3.07Å; V176-F229 HydrophobicContact CG2-CB 4.32Å; V176-F229 HydrophobicContact CG2-CD2 4.46Å; V176-F231 HydrophobicContact CG1-CD2 3.6Å; V176-F231 HydrophobicContact CG1-CE2 3.8Å; V176-L252 HydrophobicContact CB-CD2 4.31Å; V176-L252 HydrophobicContact CG1-CD2 4.42Å; V176-L252 HydrophobicContact CG2-CD2 3.94Å; V176-M255 HydrophobicContact CG2-CE 3.66Å; V176-M255 HydrophobicContact CG2-SD 3.47Å; V176-M255 WeakPolarHBondContact CG2-SD 3.22Å
177I98.5Very high86.8Confident1 Ų140.7 Ų40.71%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-109.8131.9167.4-62.2-64.6000109.6G110 V112 F153 F167 A170 F171 A174 F229 F230 F231G110-I177 CarbonylContact O-C 3.52Å; G110-I177 WeakPolarHBondContact O-CA 3.16Å; V112-I177 HydrophobicContact CG1-CG2 4.13Å; F153-I177 HydrophobicContact CD2-CD1 4.39Å; F153-I177 HydrophobicContact CE2-CD1 4.17Å; F167-I177 HydrophobicContact CD1-CG2 4.08Å; F167-I177 HydrophobicContact CE1-CG2 3.65Å; A170-I177 HydrophobicContact CB-CD1 3.61Å; A170-I177 HydrophobicContact CB-CG1 4.37Å; F171-I177 HydrophobicContact CD1-CG1 3.68Å; F171-I177 HydrophobicContact CE1-CB 3.86Å; F171-I177 HydrophobicContact CE1-CG1 3.26Å; F171-I177 HydrophobicContact CE2-CG1 4.28Å; F171-I177 HydrophobicContact CG-CG1 4.34Å; F171-I177 HydrophobicContact CZ-CB 3.89Å; F171-I177 HydrophobicContact CZ-CG1 3.59Å; A174-I177 HydrophobicContact CB-CD1 3.39Å; A174-I177 HydrophobicContact CB-CG1 4.17Å; I177-F229 PolarHBondContact N-O 3.23Å; I177-F230 HydrophobicContact CB-CD2 3.99Å; I177-F230 HydrophobicContact CG2-CD2 3.9Å; I177-F230 HydrophobicContact CG2-CE2 3.98Å; I177-F230 CarbonylContact O-C 3.58Å; I177-F230 WeakPolarHBondContact O-CA 3.37Å; I177-F231 PolarHBondContact O-N 2.86Å
178I98.5Very high84.8Confident0 Ų049.7 Ų49.70%027%0.266CS..EExtended strand (participates in β ladder)trans-112.9115.6175.2-52.6162.4000107.3I109 G110 I111 V112 L139 M143 V176 F231 L233 V248I109-I178 HydrophobicContact CG2-CD1 3.6Å; I109-I178 HydrophobicContact CG2-CG1 4.22Å; G110-I178 PolarHBondContact O-N 2.83Å; I111-I178 WeakPolarHBondContact CA-O 3.39Å; I111-I178 HydrophobicContact CG1-CB 4.32Å; I111-I178 HydrophobicContact CG1-CD1 4.29Å; V112-I178 PolarHBondContact N-O 2.88Å; L139-I178 HydrophobicContact CD1-CG2 4.07Å; M143-I178 HydrophobicContact CE-CD1 4.42Å; M143-I178 HydrophobicContact SD-CD1 4.05Å; V176-I178 HydrophobicContact CG1-CG1 4.28Å; I178-F231 WeakPolarHBondContact CA-O 3.16Å; I178-L233 HydrophobicContact CG2-CD1 3.61Å; I178-L233 HydrophobicContact CG2-CG 3.86Å; I178-V248 HydrophobicContact CD1-CG1 3.58Å; I178-V248 HydrophobicContact CG1-CG1 4.01Å
179S97.2Very high83.9Confident0 Ų046.4 Ų46.40%025%0.253CS..EExtended strand (participates in β ladder)trans-103.5145174.1-1790000110.5V112 T114 L191 F231 L233V112-S179 CarbonylContact O-C 3.56Å; V112-S179 VanDerWaalsContact O-CA 3.28Å; V112-S179 WeakPolarHBondContact O-CA 3.36Å; T114-S179 WeakPolarHBondContact CG2-OG 3.36Å; S179-L191 WeakPolarHBondContact OG-CD1 3.3Å; S179-F231 PolarHBondContact N-O 3.09Å; S179-L233 WeakPolarHBondContact O-CA 3.28Å; S179-L233 WeakPolarHBondContact O-CB 3.36Å; S179-L233 PolarHBondContact O-N 3.11Å
180S94.3Very high83.5Confident5 Ų543.7 Ų43.74%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-119.5123.7168.4156.20000110.4V112 T114 N135V112-S180 PolarHBondContact O-N 2.94Å; T114-S180 WeakPolarHBondContact CG2-O 3.37Å; T114-S180 PolarHBondContact N-O 3.37Å; T114-S180 VanDerWaalsContact N-O 3.07Å; N135-S180 WeakPolarHBondContact CB-OG 3.48Å; N135-S180 PolarHBondContact ND2-OG 3.47Å
181G87.1Confident83.2Confident6 Ų643.7 Ų43.76%0.06224%0.24CC..SBendtrans101.8-177.7-175.400000111.5T114 M183 L233T114-G181 WeakPolarHBondContact CG2-O 3.25Å; G181-M183 VanDerWaalsContact O-CG 3.25Å; G181-M183 WeakPolarHBondContact O-CG 3.38Å; G181-M183 PolarHBondContact O-N 2.91Å; G181-L233 PolarHBondContact N-O 3.3Å
182G78.8Confident82.9Confident27 Ų2745.1 Ų45.128%0.27825%0.246SC..  trans5429.6172.100000116.4
183M74.2Confident82.7Confident6 Ų641.8 Ų41.83%0.0323%0.233CC..  trans-128.126.2-171.7-76.5-72.4150.300114G181 D189 L191 K192 P215 A217 F230G181-M183 VanDerWaalsContact O-CG 3.25Å; G181-M183 WeakPolarHBondContact O-CG 3.38Å; G181-M183 PolarHBondContact O-N 2.91Å; M183-D189 VanDerWaalsContact CA-OD2 3.26Å; M183-D189 WeakPolarHBondContact CA-OD2 3.15Å; M183-D189 PolarHBondContact N-OD1 3.24Å; M183-L191 HydrophobicContact CE-CB 4.06Å; M183-L191 HydrophobicContact CE-CD1 3.77Å; M183-L191 HydrophobicContact CE-CD2 3.38Å; M183-L191 HydrophobicContact CE-CG 3.91Å; M183-K192 HydrophobicContact CE-CG 4.29Å; M183-K192 PolarHBondContact O-NZ 3.13Å; M183-K192 VanDerWaalsContact SD-CE 3.57Å; M183-K192 HydrophobicContact SD-CG 4.14Å; M183-P215 VanDerWaalsContact O-CB 3.26Å; M183-P215 WeakPolarHBondContact O-CB 3.47Å; M183-A217 HydrophobicContact SD-CB 3.7Å; M183-F230 HydrophobicContact CE-CE1 3.32Å; M183-F230 HydrophobicContact CE-CZ 3.58Å; M183-F230 HydrophobicContact SD-CE1 4.36Å
184S71.9Confident82.7Confident76 Ų7639.1 Ų39.153%0.53121%0.214SC..SBendtrans-110.1-167.6-166.2-160.50000114.1G186 D189S184-G186 PolarHBondContact O-N 2.86Å; S184-D189 PolarHBondContact N-OD1 2.93Å; S184-D189 VanDerWaalsContact N-OD1 3.07Å; S184-D189 PolarHBondContact N-OD2 3.34Å
185M56.5Low82.6Confident113 Ų11339.1 Ų39.156%0.55721%0.214SC*.SBendtrans-81.912.1176.1-71-96.3-149.500113.2R207M185-R207 PolarHBondContact SD-NH2 3.06Å
186G53.7Low82.5Confident48 Ų4843 Ų4350%0.49523%0.234SC..SBendtrans-62.8148.417900000110.7S184 R188S184-G186 PolarHBondContact O-N 2.86Å; G186-R188 PolarHBondContact O-N 3.38Å
187D40.1Very low82.3Confident172 Ų17250.2 Ų50.292%0.9227%0.267SS*.SBendtrans-59.4-10.7-166.3-77.1-41.2000115.5
188R53.8Low82.3Confident189 Ų18954.6 Ų54.671%0.71329%0.29SS*.  trans-150.5105.8160.8-62.8-172.2-172.7167.61.6109G186 L190G186-R188 PolarHBondContact O-N 3.38Å; R188-L190 HydrophobicContact CB-CD2 4.13Å; R188-L190 PolarHBondContact O-N 2.91Å
189D79.6Confident82.2Confident24 Ų2455.3 Ų55.313%0.12829%0.294CS..  trans-77.176.2174.7-142.626000107.4M183 S184 L191 K192 E193M183-D189 VanDerWaalsContact CA-OD2 3.26Å; M183-D189 WeakPolarHBondContact CA-OD2 3.15Å; M183-D189 PolarHBondContact N-OD1 3.24Å; S184-D189 PolarHBondContact N-OD1 2.93Å; S184-D189 VanDerWaalsContact N-OD1 3.07Å; S184-D189 PolarHBondContact N-OD2 3.34Å; D189-L191 PolarHBondContact O-N 2.99Å; D189-K192 HydrophobicContact CB-CB 4.36Å; D189-K192 HydrophobicContact CB-CD 4.12Å; D189-K192 HydrophobicContact CB-CG 4.32Å; D189-K192 WeakPolarHBondContact O-CA 3.42Å; D189-K192 WeakPolarHBondContact O-CB 3.33Å; D189-K192 PolarHBondContact O-N 2.79Å; D189-K192 WeakPolarHBondContact OD2-CD 3.39Å; D189-K192 WeakPolarHBondContact OD2-CE 3.47Å; D189-K192 IonicContact OD2-NZ 2.83Å; D189-K192 PolarHBondContact OD2-NZ 3.03Å; D189-E193 PolarHBondContact O-N 2.78Å; D189-E193 VanDerWaalsContact O-N 3.13Å
190L88.4Confident82.2Confident45 Ų4558 Ų5824%0.23632%0.322CS..Hα-helixtrans-48.2-36.6-170.5-68.8177.3000112.3D158 P160 I163 R188 E193 V194D158-L190 HydrophobicContact CB-CD1 4.46Å; D158-L190 WeakPolarHBondContact O-CD1 3.32Å; P160-L190 HydrophobicContact CG-CD2 4.21Å; I163-L190 HydrophobicContact CD1-CB 4.09Å; R188-L190 HydrophobicContact CB-CD2 4.13Å; R188-L190 PolarHBondContact O-N 2.91Å; L190-E193 PolarHBondContact O-N 2.92Å; L190-V194 WeakPolarHBondContact O-CB 3.5Å; L190-V194 VanDerWaalsContact O-CG2 3.31Å; L190-V194 WeakPolarHBondContact O-CG2 3.29Å; L190-V194 PolarHBondContact O-N 2.85Å
191L90.8Very high82.4Confident2 Ų258 Ų581%0.0132%0.321CS..Hα-helixtrans-61.7-45.9177.7-153.6169.1000112T114 I163 F167 S179 M183 D189 L195 F230T114-L191 HydrophobicContact CG2-CD1 3.72Å; I163-L191 HydrophobicContact CG2-CG 4.37Å; F167-L191 HydrophobicContact CE2-CD1 4.43Å; F167-L191 HydrophobicContact CE2-CD2 3.53Å; F167-L191 HydrophobicContact CE2-CG 3.82Å; F167-L191 HydrophobicContact CZ-CD1 4.22Å; F167-L191 HydrophobicContact CZ-CD2 3.77Å; F167-L191 HydrophobicContact CZ-CG 4.09Å; S179-L191 WeakPolarHBondContact OG-CD1 3.3Å; M183-L191 HydrophobicContact CE-CB 4.06Å; M183-L191 HydrophobicContact CE-CD1 3.77Å; M183-L191 HydrophobicContact CE-CD2 3.38Å; M183-L191 HydrophobicContact CE-CG 3.91Å; D189-L191 PolarHBondContact O-N 2.99Å; L191-L195 HydrophobicContact CD2-CD1 3.24Å; L191-L195 HydrophobicContact CD2-CG 3.84Å; L191-L195 WeakPolarHBondContact O-CB 3.38Å; L191-L195 WeakPolarHBondContact O-CG 3.29Å; L191-L195 PolarHBondContact O-N 2.89Å; L191-F230 HydrophobicContact CD1-CZ 4.32Å; L191-F230 HydrophobicContact CD2-CE1 4.09Å; L191-F230 HydrophobicContact CD2-CE2 4Å; L191-F230 HydrophobicContact CD2-CZ 3.47Å; L191-F230 VanDerWaalsContact CD2-CZ 3.47Å
192K91.3Very high82.9Confident29 Ų2963.7 Ų63.713%0.12634%0.344CS..Hα-helixtrans-65.8-40.8175.9-68.1179.9-177.6142.10111.2M183 D189 L195 M196M183-K192 HydrophobicContact CE-CG 4.29Å; M183-K192 PolarHBondContact O-NZ 3.13Å; M183-K192 VanDerWaalsContact SD-CE 3.57Å; M183-K192 HydrophobicContact SD-CG 4.14Å; D189-K192 HydrophobicContact CB-CB 4.36Å; D189-K192 HydrophobicContact CB-CD 4.12Å; D189-K192 HydrophobicContact CB-CG 4.32Å; D189-K192 WeakPolarHBondContact O-CA 3.42Å; D189-K192 WeakPolarHBondContact O-CB 3.33Å; D189-K192 PolarHBondContact O-N 2.79Å; D189-K192 WeakPolarHBondContact OD2-CD 3.39Å; D189-K192 WeakPolarHBondContact OD2-CE 3.47Å; D189-K192 IonicContact OD2-NZ 2.83Å; D189-K192 PolarHBondContact OD2-NZ 3.03Å; K192-L195 PolarHBondContact O-N 3.36Å; K192-M196 VanDerWaalsContact O-CB 3.29Å; K192-M196 WeakPolarHBondContact O-CB 3.48Å; K192-M196 WeakPolarHBondContact O-CG 3.45Å; K192-M196 PolarHBondContact O-N 3.49Å
193E92.4Very high83.7Confident71 Ų7165.3 Ų65.333%0.33235%0.346SS..Hα-helixtrans-60.4-50.8177.7-69.1-179.2-179.100110.8D189 L190 L195 M196 Q197D189-E193 PolarHBondContact O-N 2.78Å; D189-E193 VanDerWaalsContact O-N 3.13Å; L190-E193 PolarHBondContact O-N 2.92Å; E193-L195 PolarHBondContact O-N 3.41Å; E193-M196 PolarHBondContact O-N 3.01Å; E193-Q197 VanDerWaalsContact O-CB 3.28Å; E193-Q197 WeakPolarHBondContact O-CB 3.46Å; E193-Q197 WeakPolarHBondContact O-CG 3.24Å; E193-Q197 PolarHBondContact O-N 3.42Å
194V94.8Very high84.8Confident4 Ų466.6 Ų66.62%0.02435%0.352CS..Iπ-helixtrans-61.1-44.9178.4172.50000111.9P160 I163 L164 L190 M196 D198 L199P160-V194 HydrophobicContact CB-CG2 4.16Å; I163-V194 HydrophobicContact CB-CG1 4.48Å; I163-V194 HydrophobicContact CB-CG2 4.38Å; I163-V194 HydrophobicContact CG2-CB 3.94Å; I163-V194 HydrophobicContact CG2-CG1 3.85Å; I163-V194 HydrophobicContact CG2-CG2 4.16Å; L164-V194 HydrophobicContact CB-CG1 3.77Å; L164-V194 HydrophobicContact CD1-CG1 3.94Å; L164-V194 HydrophobicContact CG-CG1 4.45Å; L190-V194 WeakPolarHBondContact O-CB 3.5Å; L190-V194 VanDerWaalsContact O-CG2 3.31Å; L190-V194 WeakPolarHBondContact O-CG2 3.29Å; L190-V194 PolarHBondContact O-N 2.85Å; V194-M196 PolarHBondContact O-N 3.37Å; V194-D198 WeakPolarHBondContact CA-OD2 3.17Å; V194-D198 HydrophobicContact CG1-CB 4.44Å; V194-D198 WeakPolarHBondContact O-CB 3.46Å; V194-D198 PolarHBondContact O-N 2.86Å; V194-D198 VanDerWaalsContact O-N 3.12Å; V194-L199 PolarHBondContact O-N 2.67Å; V194-L199 VanDerWaalsContact O-N 3.16Å
195L95.5Very high86Confident0 Ų063.5 Ų63.50%033%0.329CS..Iπ-helixtrans-62.1-44177.4-76.4171.8000111.9F167 F171 L191 K192 E193 L199 G200 F201 M219 F230F167-L195 HydrophobicContact CD2-CD2 4.09Å; F167-L195 HydrophobicContact CD2-CG 4.45Å; F167-L195 HydrophobicContact CE2-CD2 4.37Å; F167-L195 HydrophobicContact CE2-CG 4.4Å; F167-L195 HydrophobicContact CG-CD2 4.38Å; F171-L195 HydrophobicContact CE2-CD2 4.12Å; L191-L195 HydrophobicContact CD2-CD1 3.24Å; L191-L195 HydrophobicContact CD2-CG 3.84Å; L191-L195 WeakPolarHBondContact O-CB 3.38Å; L191-L195 WeakPolarHBondContact O-CG 3.29Å; L191-L195 PolarHBondContact O-N 2.89Å; K192-L195 PolarHBondContact O-N 3.36Å; E193-L195 PolarHBondContact O-N 3.41Å; L195-L199 HydrophobicContact CD2-CD1 4.1Å; L195-L199 CarbonylContact O-C 3.56Å; L195-L199 WeakPolarHBondContact O-CB 3.45Å; L195-G200 PolarHBondContact O-N 2.91Å; L195-F201 HydrophobicContact CB-CB 4.21Å; L195-F201 HydrophobicContact CD2-CD1 4.43Å; L195-F201 HydrophobicContact CD2-CD2 4.41Å; L195-F201 HydrophobicContact CD2-CG 4.3Å; L195-F201 WeakPolarHBondContact O-CB 3.34Å; L195-F201 PolarHBondContact O-N 3.47Å; L195-M219 HydrophobicContact CB-CE 3.73Å; L195-M219 HydrophobicContact CB-SD 4.08Å; L195-M219 HydrophobicContact CD1-CE 4.31Å; L195-M219 HydrophobicContact CD1-SD 3.52Å; L195-M219 VanDerWaalsContact CD1-SD 3.52Å; L195-M219 HydrophobicContact CG-SD 4.46Å; L195-F230 HydrophobicContact CD1-CD1 3.53Å; L195-F230 HydrophobicContact CD1-CD2 3.8Å; L195-F230 HydrophobicContact CD1-CE1 3.58Å; L195-F230 HydrophobicContact CD1-CE2 3.84Å; L195-F230 HydrophobicContact CD1-CG 3.66Å; L195-F230 HydrophobicContact CD1-CZ 3.73Å; L195-F230 HydrophobicContact CD2-CD2 4.22Å; L195-F230 HydrophobicContact CD2-CG 4.44Å
196M96.1Very high87.7Confident86 Ų8658.8 Ų58.842%0.42431%0.31SS..Iπ-helixtrans-78.2-47.9-175.4-67.7173.858.700112.9K192 E193 V194 G200 F201 L203 M219K192-M196 VanDerWaalsContact O-CB 3.29Å; K192-M196 WeakPolarHBondContact O-CB 3.48Å; K192-M196 WeakPolarHBondContact O-CG 3.45Å; K192-M196 PolarHBondContact O-N 3.49Å; E193-M196 PolarHBondContact O-N 3.01Å; V194-M196 PolarHBondContact O-N 3.37Å; M196-G200 WeakPolarHBondContact O-CA 3.07Å; M196-G200 PolarHBondContact O-N 3.24Å; M196-F201 WeakPolarHBondContact CA-O 3.47Å; M196-F201 WeakPolarHBondContact CG-O 3.34Å; M196-L203 HydrophobicContact CE-CB 4.47Å; M196-L203 HydrophobicContact SD-CB 3.97Å; M196-L203 HydrophobicContact SD-CD2 4.33Å; M196-M219 HydrophobicContact CG-CE 3.35Å; M196-M219 HydrophobicContact SD-CE 4.16Å
197Q95.8Very high89.7Confident151 Ų15161.5 Ų61.571%0.70631%0.305SS*.Iπ-helixtrans-85.9-45-170.2-59-175.813.300111.6E193E193-Q197 VanDerWaalsContact O-CB 3.28Å; E193-Q197 WeakPolarHBondContact O-CB 3.46Å; E193-Q197 WeakPolarHBondContact O-CG 3.24Å; E193-Q197 PolarHBondContact O-N 3.42Å
198D96.7Very high92.3Very high92 Ų9253.3 Ų53.349%0.49226%0.261SS..Iπ-helixtrans-91.4-28.7-175.1-58.6-70.3000113.5L164 V194L164-D198 HydrophobicContact CD1-CB 3.67Å; L164-D198 HydrophobicContact CD2-CB 4.18Å; V194-D198 WeakPolarHBondContact CA-OD2 3.17Å; V194-D198 HydrophobicContact CG1-CB 4.44Å; V194-D198 WeakPolarHBondContact O-CB 3.46Å; V194-D198 PolarHBondContact O-N 2.86Å; V194-D198 VanDerWaalsContact O-N 3.12Å
199L97.1Very high94.4Very high15 Ų1546.8 Ų46.88%0.07924%0.238CC..SBendtrans-111.1-4.5-177.8-60.1179.7000114.1L164 F167 K168 V194 L195 F201 M223L164-L199 HydrophobicContact CD1-CD1 4.26Å; L164-L199 HydrophobicContact CD1-CD2 3.55Å; L164-L199 HydrophobicContact CD1-CG 3.78Å; F167-L199 HydrophobicContact CB-CD1 3.68Å; K168-L199 HydrophobicContact CG-CD2 3.89Å; V194-L199 PolarHBondContact O-N 2.67Å; V194-L199 VanDerWaalsContact O-N 3.16Å; L195-L199 HydrophobicContact CD2-CD1 4.1Å; L195-L199 CarbonylContact O-C 3.56Å; L195-L199 WeakPolarHBondContact O-CB 3.45Å; L199-F201 VanDerWaalsContact C-N 3.27Å; L199-F201 HydrophobicContact CB-CD2 3.81Å; L199-F201 HydrophobicContact CB-CE2 4.11Å; L199-F201 PolarHBondContact O-N 2.89Å; L199-M223 HydrophobicContact CB-SD 4.46Å; L199-M223 HydrophobicContact CD2-CE 3.8Å; L199-M223 HydrophobicContact CD2-SD 4.06Å
200G97.5Very high95.2Very high56 Ų5645.7 Ų45.758%0.57723%0.232SC*.  trans67.421.7175.600000114.8L195 M196L195-G200 PolarHBondContact O-N 2.91Å; M196-G200 WeakPolarHBondContact O-CA 3.07Å; M196-G200 PolarHBondContact O-N 3.24Å
201F97.9Very high95.6Very high5 Ų545.8 Ų45.82%0.02223%0.23CC..  trans-71.9134.4175.8-81.9-122.6000110.5F171 L195 M196 L199 M219 S220 M223 K228 F230F171-F201 HydrophobicContact CD1-CZ 4.3Å; F171-F201 HydrophobicContact CD2-CE2 4.34Å; F171-F201 AromaticContact CD2-CZ 3.96Å; F171-F201 HydrophobicContact CD2-CZ 3.96Å; F171-F201 HydrophobicContact CE1-CE1 4.11Å; F171-F201 AromaticContact CE1-CZ 3.81Å; F171-F201 HydrophobicContact CE1-CZ 3.81Å; F171-F201 HydrophobicContact CE2-CE1 4.06Å; F171-F201 AromaticContact CE2-CE2 3.99Å; F171-F201 HydrophobicContact CE2-CE2 3.99Å; F171-F201 AromaticContact CE2-CZ 3.44Å; F171-F201 HydrophobicContact CE2-CZ 3.44Å; F171-F201 VanDerWaalsContact CE2-CZ 3.44Å; F171-F201 HydrophobicContact CG-CZ 4.38Å; F171-F201 AromaticContact CZ-CE1 3.61Å; F171-F201 HydrophobicContact CZ-CE1 3.61Å; F171-F201 HydrophobicContact CZ-CE2 4.34Å; F171-F201 AromaticContact CZ-CZ 3.37Å; F171-F201 HydrophobicContact CZ-CZ 3.37Å; L195-F201 HydrophobicContact CB-CB 4.21Å; L195-F201 HydrophobicContact CD2-CD1 4.43Å; L195-F201 HydrophobicContact CD2-CD2 4.41Å; L195-F201 HydrophobicContact CD2-CG 4.3Å; L195-F201 WeakPolarHBondContact O-CB 3.34Å; L195-F201 PolarHBondContact O-N 3.47Å; M196-F201 WeakPolarHBondContact CA-O 3.47Å; M196-F201 WeakPolarHBondContact CG-O 3.34Å; L199-F201 VanDerWaalsContact C-N 3.27Å; L199-F201 HydrophobicContact CB-CD2 3.81Å; L199-F201 HydrophobicContact CB-CE2 4.11Å; L199-F201 PolarHBondContact O-N 2.89Å; F201-M219 HydrophobicContact CB-CB 4.34Å; F201-M219 HydrophobicContact CB-CE 4.03Å; F201-M219 HydrophobicContact CD1-CB 4.17Å; F201-S220 WeakPolarHBondContact CA-O 3.34Å; F201-S220 VanDerWaalsContact CD1-C 3.49Å; F201-M223 HydrophobicContact CE2-CG 3.76Å; F201-M223 HydrophobicContact CE2-SD 4.37Å; F201-M223 HydrophobicContact CZ-CG 4.18Å; F201-K228 HydrophobicContact CE1-CB 4.18Å; F201-K228 HydrophobicContact CZ-CB 3.78Å; F201-F230 HydrophobicContact CD1-CB 4.19Å; F201-F230 HydrophobicContact CE1-CB 4.07Å
202K97.7Very high95.8Very high126 Ų12645.9 Ų45.955%0.54823%0.231SC..EExtended strand (participates in β ladder)trans-81.4125.4170.6179.3178.8168.9-1650109.8H204 M219 S220K202-H204 PolarHBondContact O-N 2.89Å; K202-M219 WeakPolarHBondContact O-CA 3.32Å; K202-M219 WeakPolarHBondContact O-CB 3.37Å; K202-S220 PolarHBondContact N-O 2.95Å; K202-S220 PolarHBondContact O-N 2.84Å
203L96.5Very high96Very high61 Ų6144.7 Ų44.732%0.31923%0.227SC..EExtended strand (participates in β ladder)trans-77115.7167.4-178.465.1000109.7M196 F205 A217 M219M196-L203 HydrophobicContact CE-CB 4.47Å; M196-L203 HydrophobicContact SD-CB 3.97Å; M196-L203 HydrophobicContact SD-CD2 4.33Å; L203-F205 VanDerWaalsContact CD1-O 3.3Å; L203-F205 WeakPolarHBondContact CD1-O 3.47Å; L203-A217 HydrophobicContact CD1-CB 4.46Å; L203-M219 HydrophobicContact CB-CE 4.12Å; L203-M219 HydrophobicContact CD1-CE 4.39Å; L203-M219 HydrophobicContact CD1-CG 3.66Å; L203-M219 HydrophobicContact CD1-SD 4.13Å
204H97.3Very high96.1Very high33 Ų3344.9 Ų44.915%0.15323%0.227CC..EExtended strand (participates in β ladder)trans-87.6-43.5176.9-66.1-63.2000111.6V10 E14 K202 F218 S220V10-H204 HydrophobicContact CG1-CB 3.71Å; E14-H204 VanDerWaalsContact CD-NE2 3.28Å; E14-H204 VanDerWaalsContact CG-CE1 3.44Å; E14-H204 WeakPolarHBondContact CG-CE1 3.37Å; E14-H204 WeakPolarHBondContact CG-NE2 3.14Å; E14-H204 IonicContact OE1-CE1 3.79Å; E14-H204 PolarHBondContact OE1-CE1 2.77Å; E14-H204 IonicContact OE1-ND1 3.89Å; E14-H204 IonicContact OE1-NE2 2.78Å; E14-H204 IonicContact OE2-CE1 2.85Å; E14-H204 PolarHBondContact OE2-CE1 2.54Å; E14-H204 IonicContact OE2-NE2 3.02Å; E14-H204 PolarHBondContact OE2-NE2 2.62Å; K202-H204 PolarHBondContact O-N 2.89Å; H204-F218 HydrophobicContact CB-CD1 3.91Å; H204-F218 AromaticContact CD2-CD1 3.62Å; H204-F218 AromaticContact CD2-CE1 3.58Å; H204-F218 PolarHBondContact N-O 3.46Å; H204-S220 PolarHBondContact NE2-OG 3.3Å
205F96Very high96.1Very high12 Ų1246.3 Ų46.35%0.05324%0.236CC..EExtended strand (participates in β ladder)trans-153.3147.4165.557.3-98.3000109.8L2 A7 V10 I11 L203 V208 A217 F218L2-F205 HydrophobicContact CD1-CB 3.7Å; L2-F205 HydrophobicContact CD1-CD1 3.85Å; L2-F205 HydrophobicContact CD1-CG 4.04Å; L2-F205 HydrophobicContact CG-CB 4.41Å; A7-F205 HydrophobicContact CB-CD1 4.28Å; A7-F205 HydrophobicContact CB-CE1 3.79Å; A7-F205 HydrophobicContact CB-CE2 4.35Å; A7-F205 HydrophobicContact CB-CZ 3.83Å; V10-F205 HydrophobicContact CG1-CD1 4.26Å; V10-F205 HydrophobicContact CG1-CE1 4.45Å; I11-F205 HydrophobicContact CD1-CE1 4.27Å; I11-F205 HydrophobicContact CD1-CZ 3.92Å; I11-F205 HydrophobicContact CG1-CE1 4.01Å; I11-F205 HydrophobicContact CG1-CZ 4.09Å; L203-F205 VanDerWaalsContact CD1-O 3.3Å; L203-F205 WeakPolarHBondContact CD1-O 3.47Å; F205-V208 HydrophobicContact CD2-CG2 3.77Å; F205-V208 HydrophobicContact CE2-CG2 3.55Å; F205-V208 HydrophobicContact CZ-CG2 4.37Å; F205-A217 CarbonylContact O-C 3.51Å; F205-A217 WeakPolarHBondContact O-CA 3.34Å; F205-F218 HydrophobicContact CD1-CB 4.17Å; F205-F218 HydrophobicContact CD2-CB 4.34Å; F205-F218 HydrophobicContact CE1-CB 3.55Å; F205-F218 HydrophobicContact CE1-CD1 4.13Å; F205-F218 HydrophobicContact CE1-CG 4.24Å; F205-F218 HydrophobicContact CE2-CB 3.73Å; F205-F218 HydrophobicContact CZ-CB 3.3Å; F205-F218 HydrophobicContact CZ-CG 4.27Å; F205-F218 PolarHBondContact N-O 2.89Å; F205-F218 PolarHBondContact O-N 2.89Å
206G93.6Very high96.1Very high14 Ų1446.3 Ų46.314%0.14424%0.236CC..SBendtrans-112.40.5172.500000113.8T216G206-T216 CarbonylContact C-O 3.56Å; G206-T216 VanDerWaalsContact C-O 3.25Å
207R94.1Very high96.1Very high105 Ų10542.2 Ų42.240%0.39622%0.216SC..  trans-151.8133179.1-60.3-177-164.6149.413.6112.5M1 L2 M185 K214 T216M1-R207 HydrophobicContact CB-CB 4.41Å; M1-R207 HydrophobicContact CG-CB 3.81Å; M1-R207 HydrophobicContact SD-CB 4.5Å; L2-R207 PolarHBondContact N-O 3Å; M185-R207 PolarHBondContact SD-NH2 3.06Å; R207-K214 CarbonylContact C-O 3.42Å; R207-K214 WeakPolarHBondContact CA-O 3.33Å; R207-T216 PolarHBondContact N-O 3.49Å
208V96Very high96.2Very high0 Ų035 Ų350%018%0.182CC..BIsolated β-bridgetrans-111.1139.7175.1-173.90000109.6L2 V4 A7 F205 M210 K214L2-V208 CarbonylContact O-C 3.56Å; L2-V208 WeakPolarHBondContact O-CA 3.33Å; V4-V208 HydrophobicContact CB-CG1 4.35Å; V4-V208 HydrophobicContact CG2-CG1 3.62Å; A7-V208 HydrophobicContact CB-CG1 4.34Å; A7-V208 HydrophobicContact CB-CG2 4.1Å; F205-V208 HydrophobicContact CD2-CG2 3.77Å; F205-V208 HydrophobicContact CE2-CG2 3.55Å; F205-V208 HydrophobicContact CZ-CG2 4.37Å; V208-M210 VanDerWaalsContact C-N 3.29Å; V208-M210 HydrophobicContact CB-CG 4.15Å; V208-M210 HydrophobicContact CB-SD 4.09Å; V208-M210 HydrophobicContact CG1-CB 4.38Å; V208-M210 HydrophobicContact CG1-CG 3.93Å; V208-M210 HydrophobicContact CG1-SD 3.73Å; V208-M210 PolarHBondContact O-N 2.96Å; V208-K214 PolarHBondContact N-O 2.81Å; V208-K214 WeakPolarHBondContact O-CA 3.4Å
209F96.7Very high96.3Very high52 Ų5230.7 Ų30.723%0.22816%0.159CC..SBendtrans-82.176.2179.7-172.4-116.3000110.2M1 L2 R279 P280M1-F209 HydrophobicContact CB-CB 4.05Å; M1-F209 HydrophobicContact CE-CD2 3.71Å; M1-F209 HydrophobicContact CE-CE2 4.18Å; M1-F209 HydrophobicContact SD-CD2 4.44Å; L2-F209 PolarHBondContact O-N 3.08Å; F209-R279 HydrophobicContact CD2-CG 4.02Å; F209-R279 HydrophobicContact CE2-CB 4.34Å; F209-R279 HydrophobicContact CE2-CG 3.6Å; F209-R279 HydrophobicContact CZ-CB 4.42Å; F209-R279 HydrophobicContact CZ-CG 4.08Å; F209-P280 HydrophobicContact CD1-CG 4.16Å; F209-P280 HydrophobicContact CE1-CG 4.13Å
210M97Very high96.3Very high0 Ų030.1 Ų30.10%016%0.157CC..  trans-149.8166-178.466.7-175-70.400112.5V4 V208 P212 V242 T243 V246 R279 P280 Y282V4-M210 HydrophobicContact CG2-CB 3.8Å; V4-M210 HydrophobicContact CG2-CG 4.39Å; V4-M210 HydrophobicContact CG2-SD 4.01Å; V208-M210 VanDerWaalsContact C-N 3.29Å; V208-M210 HydrophobicContact CB-CG 4.15Å; V208-M210 HydrophobicContact CB-SD 4.09Å; V208-M210 HydrophobicContact CG1-CB 4.38Å; V208-M210 HydrophobicContact CG1-CG 3.93Å; V208-M210 HydrophobicContact CG1-SD 3.73Å; V208-M210 PolarHBondContact O-N 2.96Å; M210-P212 WeakPolarHBondContact CE-O 3.47Å; M210-P212 WeakPolarHBondContact CG-O 3.3Å; M210-V242 HydrophobicContact CE-CG1 3.85Å; M210-T243 HydrophobicContact CE-CG2 4.1Å; M210-T243 HydrophobicContact SD-CG2 4.28Å; M210-V246 HydrophobicContact CE-CG1 4.41Å; M210-R279 PolarHBondContact O-NH1 3.05Å; M210-P280 CarbonylContact C-O 3.57Å; M210-P280 WeakPolarHBondContact CA-O 3.4Å; M210-Y282 HydrophobicContact CB-CD2 4.31Å; M210-Y282 HydrophobicContact CB-CE2 4Å; M210-Y282 HydrophobicContact CE-CD2 3.45Å; M210-Y282 VanDerWaalsContact CE-CD2 3.45Å; M210-Y282 HydrophobicContact CE-CE2 3.53Å; M210-Y282 HydrophobicContact CE-CG 4.36Å; M210-Y282 HydrophobicContact SD-CE2 4.45Å
211K96.7Very high96.4Very high47 Ų4727.7 Ų27.720%0.20413%0.131CC..BIsolated β-bridgetrans-134.6136.8168.8-178.3179.5171.4-154.20110.6D277 R279 P280 E281 Y282K211-D277 HydrophobicContact CD-CB 3.75Å; K211-D277 WeakPolarHBondContact CD-OD1 3.19Å; K211-D277 WeakPolarHBondContact CD-OD2 3.45Å; K211-D277 VanDerWaalsContact CE-OD2 3.29Å; K211-D277 WeakPolarHBondContact CE-OD2 3.27Å; K211-D277 IonicContact NZ-OD2 3.18Å; K211-D277 PolarHBondContact NZ-OD2 3.32Å; K211-R279 HydrophobicContact CB-CB 4.47Å; K211-P280 PolarHBondContact N-O 3.19Å; K211-E281 HydrophobicContact CB-CB 4.31Å; K211-E281 HydrophobicContact CB-CG 4.05Å; K211-E281 HydrophobicContact CD-CG 4.08Å; K211-E281 WeakPolarHBondContact CD-OE1 3.31Å; K211-E281 WeakPolarHBondContact CE-OE1 3.21Å; K211-E281 HydrophobicContact CG-CG 4.03Å; K211-E281 IonicContact NZ-OE1 2.72Å; K211-E281 PolarHBondContact NZ-OE1 2.76Å; K211-E281 IonicContact NZ-OE2 2.85Å; K211-E281 PolarHBondContact NZ-OE2 3.07Å; K211-E281 CarbonylContact O-C 3.58Å; K211-E281 VanDerWaalsContact O-CA 3.28Å; K211-E281 WeakPolarHBondContact O-CA 3.18Å; K211-Y282 PolarHBondContact O-N 2.97Å
212P96Very high96.3Very high5 Ų534.4 Ų34.43%0.03216%0.157CC..SBendcis-62.5169.9-26.632.4-35000110.5M210 V238 S239 V242M210-P212 WeakPolarHBondContact CE-O 3.47Å; M210-P212 WeakPolarHBondContact CG-O 3.3Å; P212-V238 HydrophobicContact CG-CG1 4.06Å; P212-S239 WeakPolarHBondContact CB-OG 3.44Å; P212-V242 HydrophobicContact CG-CB 4.03Å; P212-V242 HydrophobicContact CG-CG1 4.22Å; P212-V242 HydrophobicContact CG-CG2 3.81Å
213G95.3Very high96.3Very high3 Ų329.4 Ų29.43%0.03114%0.136CC..  trans118.54.8174.500000117.7P215 T216 T243G213-P215 VanDerWaalsContact C-CD 3.47Å; G213-T216 WeakPolarHBondContact O-CB 3.35Å; G213-T216 PolarHBondContact O-N 3.05Å; G213-T216 PolarHBondContact O-OG1 2.82Å; G213-T243 VanDerWaalsContact CA-CG2 3.49Å
214K94.8Very high96.2Very high76 Ų7631.8 Ų31.833%0.3314%0.142SC..THydrogen-bonded Turntrans-46.7-47.2-177175.2-178.7173.2-177.70115.4M1 R207 V208 T216M1-K214 HydrophobicContact SD-CD 4.21Å; M1-K214 HydrophobicContact SD-CG 4.16Å; R207-K214 CarbonylContact C-O 3.42Å; R207-K214 WeakPolarHBondContact CA-O 3.33Å; V208-K214 PolarHBondContact N-O 2.81Å; V208-K214 WeakPolarHBondContact O-CA 3.4Å; K214-T216 PolarHBondContact O-N 2.95Å
215P94.3Very high96Very high34 Ų3438 Ų3822%0.22118%0.176CC..THydrogen-bonded Turntrans-84.718.2-176.332-30.3000114M183 G213 A217 P234M183-P215 VanDerWaalsContact O-CB 3.26Å; M183-P215 WeakPolarHBondContact O-CB 3.47Å; G213-P215 VanDerWaalsContact C-CD 3.47Å; P215-A217 PolarHBondContact O-N 2.83Å; P215-P234 HydrophobicContact CG-CB 3.7Å; P215-P234 HydrophobicContact CG-CG 3.74Å
216T95.9Very high96Very high0 Ų040.2 Ų40.20%018%0.184CC..  trans-61.1131174.3-54.50000110.3G206 R207 G213 K214 G232 L233 T243G206-T216 CarbonylContact C-O 3.56Å; G206-T216 VanDerWaalsContact C-O 3.25Å; R207-T216 PolarHBondContact N-O 3.49Å; G213-T216 WeakPolarHBondContact O-CB 3.35Å; G213-T216 PolarHBondContact O-N 3.05Å; G213-T216 PolarHBondContact O-OG1 2.82Å; K214-T216 PolarHBondContact O-N 2.95Å; T216-G232 CarbonylContact C-O 3.59Å; T216-G232 WeakPolarHBondContact CA-O 3.49Å; T216-L233 HydrophobicContact CG2-CD2 4.13Å; T216-T243 HydrophobicContact CG2-CG2 4.45Å; T216-T243 WeakPolarHBondContact OG1-CG2 3.49Å
217A95.8Very high96.2Very high0 Ų040.6 Ų40.60%018%0.182CC..EExtended strand (participates in β ladder)trans-122.2147.3179.700000111.4M183 L203 F205 P215 F231 G232M183-A217 HydrophobicContact SD-CB 3.7Å; L203-A217 HydrophobicContact CD1-CB 4.46Å; F205-A217 CarbonylContact O-C 3.51Å; F205-A217 WeakPolarHBondContact O-CA 3.34Å; P215-A217 PolarHBondContact O-N 2.83Å; A217-F231 WeakPolarHBondContact O-CA 3.37Å; A217-G232 PolarHBondContact N-O 2.89Å; A217-G232 PolarHBondContact O-N 2.91Å
218F97.9Very high96.4Very high0 Ų035.7 Ų35.70%016%0.163CC..EExtended strand (participates in β ladder)trans-131.6132171.2176.4-116.8000109.6I11 E14 H204 F205 F229 F230 F231I11-F218 HydrophobicContact CB-CD1 4.46Å; I11-F218 HydrophobicContact CB-CE1 4.25Å; I11-F218 HydrophobicContact CB-CZ 4.42Å; I11-F218 HydrophobicContact CG1-CB 4.31Å; I11-F218 HydrophobicContact CG1-CD1 3.68Å; I11-F218 HydrophobicContact CG1-CD2 4.15Å; I11-F218 HydrophobicContact CG1-CE1 3.95Å; I11-F218 HydrophobicContact CG1-CE2 4.37Å; I11-F218 HydrophobicContact CG1-CG 3.79Å; I11-F218 HydrophobicContact CG1-CZ 4.27Å; I11-F218 HydrophobicContact CG2-CE2 4.4Å; I11-F218 HydrophobicContact CG2-CZ 4.21Å; E14-F218 HydrophobicContact CB-CE1 3.95Å; E14-F218 HydrophobicContact CB-CZ 4.17Å; E14-F218 HydrophobicContact CG-CE1 4.18Å; H204-F218 HydrophobicContact CB-CD1 3.91Å; H204-F218 AromaticContact CD2-CD1 3.62Å; H204-F218 AromaticContact CD2-CE1 3.58Å; H204-F218 PolarHBondContact N-O 3.46Å; F205-F218 HydrophobicContact CD1-CB 4.17Å; F205-F218 HydrophobicContact CD2-CB 4.34Å; F205-F218 HydrophobicContact CE1-CB 3.55Å; F205-F218 HydrophobicContact CE1-CD1 4.13Å; F205-F218 HydrophobicContact CE1-CG 4.24Å; F205-F218 HydrophobicContact CE2-CB 3.73Å; F205-F218 HydrophobicContact CZ-CB 3.3Å; F205-F218 HydrophobicContact CZ-CG 4.27Å; F205-F218 PolarHBondContact N-O 2.89Å; F205-F218 PolarHBondContact O-N 2.89Å; F218-F229 HydrophobicContact CE2-CB 4.13Å; F218-F229 AromaticContact CE2-CD1 3.9Å; F218-F229 HydrophobicContact CE2-CD1 3.9Å; F218-F229 HydrophobicContact CE2-CG 4.4Å; F218-F229 AromaticContact CZ-CD1 3.64Å; F218-F229 HydrophobicContact CZ-CD1 3.64Å; F218-F229 HydrophobicContact CZ-CE1 4.25Å; F218-F230 WeakPolarHBondContact CA-O 3.34Å; F218-F231 AromaticContact CD2-CD1 3.83Å; F218-F231 HydrophobicContact CD2-CD1 3.83Å; F218-F231 AromaticContact CD2-CE1 3.43Å; F218-F231 HydrophobicContact CD2-CE1 3.43Å; F218-F231 VanDerWaalsContact CD2-CE1 3.43Å; F218-F231 HydrophobicContact CD2-CE2 4.18Å; F218-F231 HydrophobicContact CD2-CG 4.36Å; F218-F231 AromaticContact CD2-CZ 3.62Å; F218-F231 HydrophobicContact CD2-CZ 3.62Å; F218-F231 AromaticContact CE2-CE1 3.91Å; F218-F231 HydrophobicContact CE2-CE1 3.91Å; F218-F231 HydrophobicContact CE2-CE2 4.04Å; F218-F231 AromaticContact CE2-CZ 3.59Å; F218-F231 HydrophobicContact CE2-CZ 3.59Å; F218-F231 HydrophobicContact CG-CE1 4.24Å
219M97.9Very high96.5Very high0 Ų035.7 Ų35.70%016%0.163CC..EExtended strand (participates in β ladder)trans-137.7155.8-178.9-47.8178.370.200110L195 M196 F201 K202 L203 F230L195-M219 HydrophobicContact CB-CE 3.73Å; L195-M219 HydrophobicContact CB-SD 4.08Å; L195-M219 HydrophobicContact CD1-CE 4.31Å; L195-M219 HydrophobicContact CD1-SD 3.52Å; L195-M219 VanDerWaalsContact CD1-SD 3.52Å; L195-M219 HydrophobicContact CG-SD 4.46Å; M196-M219 HydrophobicContact CG-CE 3.35Å; M196-M219 HydrophobicContact SD-CE 4.16Å; F201-M219 HydrophobicContact CB-CB 4.34Å; F201-M219 HydrophobicContact CB-CE 4.03Å; F201-M219 HydrophobicContact CD1-CB 4.17Å; K202-M219 WeakPolarHBondContact O-CA 3.32Å; K202-M219 WeakPolarHBondContact O-CB 3.37Å; L203-M219 HydrophobicContact CB-CE 4.12Å; L203-M219 HydrophobicContact CD1-CE 4.39Å; L203-M219 HydrophobicContact CD1-CG 3.66Å; L203-M219 HydrophobicContact CD1-SD 4.13Å; M219-F230 HydrophobicContact CB-CB 4.24Å; M219-F230 HydrophobicContact CB-CD1 4.43Å; M219-F230 HydrophobicContact CG-CD1 4.25Å; M219-F230 PolarHBondContact N-O 2.84Å; M219-F230 PolarHBondContact O-N 2.86Å; M219-F230 HydrophobicContact SD-CD1 4.08Å
220S98.4Very high96.6Very high4 Ų433.2 Ų33.23%0.02815%0.153CC..EExtended strand (participates in β ladder)trans-143.2147.7172.477.40000111.2E14 F201 K202 H204 K227 K228E14-S220 PolarHBondContact OE2-OG 2.85Å; F201-S220 WeakPolarHBondContact CA-O 3.34Å; F201-S220 VanDerWaalsContact CD1-C 3.49Å; K202-S220 PolarHBondContact N-O 2.95Å; K202-S220 PolarHBondContact O-N 2.84Å; H204-S220 PolarHBondContact NE2-OG 3.3Å; S220-K227 WeakPolarHBondContact OG-CE 3.49Å; S220-K227 PolarHBondContact OG-NZ 3.4Å; S220-K228 VanDerWaalsContact CA-O 3.24Å; S220-K228 WeakPolarHBondContact CA-O 3.35Å
221G97.8Very high96.6Very high4 Ų433.3 Ų33.34%0.04115%0.153CC..EExtended strand (participates in β ladder)trans-148.1-175.9177.700000111.2K228G221-K228 PolarHBondContact N-O 3.1Å; G221-K228 PolarHBondContact O-N 2.89Å
222Y97.3Very high96.6Very high146 Ų14631 Ų3157%0.57314%0.143SC*.EExtended strand (participates in β ladder)trans-115.4127.9169.5-74.7-90.5000108.5R226 K227Y222-R226 WeakPolarHBondContact CA-O 3.4Å; Y222-K227 HydrophobicContact CD1-CB 4.42Å; Y222-K227 HydrophobicContact CD2-CD 4.45Å; Y222-K227 HydrophobicContact CE1-CB 3.99Å; Y222-K227 HydrophobicContact CE1-CD 4.08Å; Y222-K227 HydrophobicContact CE2-CD 3.9Å
223M96.5Very high96.7Very high22 Ų2230.8 Ų30.811%0.10814%0.141CC..EExtended strand (participates in β ladder)trans-137.7135173.9-65.9-74-73.300107.6K168 F171 L199 F201 D225 R226 K228K168-M223 HydrophobicContact CG-CE 4.3Å; F171-M223 HydrophobicContact CB-CB 4.17Å; F171-M223 HydrophobicContact CB-CE 4.4Å; F171-M223 HydrophobicContact CB-CG 4.19Å; F171-M223 HydrophobicContact CD2-CG 4.42Å; F171-M223 HydrophobicContact CG-CG 4.38Å; L199-M223 HydrophobicContact CB-SD 4.46Å; L199-M223 HydrophobicContact CD2-CE 3.8Å; L199-M223 HydrophobicContact CD2-SD 4.06Å; F201-M223 HydrophobicContact CE2-CG 3.76Å; F201-M223 HydrophobicContact CE2-SD 4.37Å; F201-M223 HydrophobicContact CZ-CG 4.18Å; M223-D225 VanDerWaalsContact C-N 3.25Å; M223-D225 PolarHBondContact O-N 3.18Å; M223-R226 PolarHBondContact N-O 3.29Å; M223-R226 PolarHBondContact O-N 3.36Å; M223-R226 VanDerWaalsContact O-N 3.1Å; M223-R226 VanDerWaalsContact O-O 3.12Å; M223-K228 HydrophobicContact CB-CG 3.85Å; M223-K228 HydrophobicContact CG-CG 4.28Å
224Y95.4Very high96.6Very high110 Ų11031 Ų3143%0.43114%0.142SC..THydrogen-bonded Turntrans52.846.1179.7-47.8-67.7000111.9K168 F171 K172 R226K168-Y224 PolarHBondContact O-OH 3.36Å; F171-Y224 HydrophobicContact CB-CE2 4.4Å; F171-Y224 WeakPolarHBondContact O-CD2 3.24Å; K172-Y224 HydrophobicContact CB-CE2 4.11Å; K172-Y224 WeakPolarHBondContact CE-OH 3.42Å; K172-Y224 HydrophobicContact CG-CD2 4.2Å; K172-Y224 HydrophobicContact CG-CE1 4.15Å; K172-Y224 HydrophobicContact CG-CE2 3.43Å; K172-Y224 VanDerWaalsContact CG-CE2 3.43Å; K172-Y224 VanDerWaalsContact CG-CZ 3.41Å; K172-Y224 WeakPolarHBondContact CG-OH 3.41Å; Y224-R226 PolarHBondContact O-N 2.86Å
225D93.5Very high96.6Very high163 Ų16329.3 Ų29.387%0.87215%0.147SC*.THydrogen-bonded Turntrans57.414.4-179.4-53.8-45.3000115.8M223M223-D225 VanDerWaalsContact C-N 3.25Å; M223-D225 PolarHBondContact O-N 3.18Å
226R94.8Very high96.6Very high60 Ų6031 Ų3123%0.22615%0.154CC..EExtended strand (participates in β ladder)trans-121.1144.1178.2-65.5-176.771.3-140.8-8.1110.9D175 Y222 M223 Y224 K228D175-R226 IonicContact OD1-CZ 3.93Å; D175-R226 VanDerWaalsContact OD1-CZ 3.24Å; D175-R226 IonicContact OD1-NH1 2.88Å; D175-R226 PolarHBondContact OD1-NH1 3.37Å; D175-R226 IonicContact OD1-NH2 3.79Å; D175-R226 PolarHBondContact OD1-NH2 3.37Å; D175-R226 VanDerWaalsContact OD1-NH2 3.13Å; D175-R226 IonicContact OD2-CZ 2.86Å; D175-R226 IonicContact OD2-NH1 3.8Å; D175-R226 IonicContact OD2-NH2 3.45Å; D175-R226 PolarHBondContact OD2-NH2 2.94Å; Y222-R226 WeakPolarHBondContact CA-O 3.4Å; M223-R226 PolarHBondContact N-O 3.29Å; M223-R226 PolarHBondContact O-N 3.36Å; M223-R226 VanDerWaalsContact O-N 3.1Å; M223-R226 VanDerWaalsContact O-O 3.12Å; Y224-R226 PolarHBondContact O-N 2.86Å; R226-K228 PolarHBondContact O-N 2.93Å
227K97.3Very high96.5Very high22 Ų2231.9 Ų31.910%0.09616%0.159CC..EExtended strand (participates in β ladder)trans-64.5129.6170.7-173.876.9176.5-168.80109.3E14 T17 S220 Y222 F229E14-K227 IonicContact OE2-NZ 3.8Å; E14-K227 PolarHBondContact OE2-NZ 3.29Å; T17-K227 WeakPolarHBondContact OG1-CD 3.42Å; T17-K227 WeakPolarHBondContact OG1-CE 3.45Å; S220-K227 WeakPolarHBondContact OG-CE 3.49Å; S220-K227 PolarHBondContact OG-NZ 3.4Å; Y222-K227 HydrophobicContact CD1-CB 4.42Å; Y222-K227 HydrophobicContact CD2-CD 4.45Å; Y222-K227 HydrophobicContact CE1-CB 3.99Å; Y222-K227 HydrophobicContact CE1-CD 4.08Å; Y222-K227 HydrophobicContact CE2-CD 3.9Å; K227-F229 HydrophobicContact CD-CZ 4.47Å; K227-F229 HydrophobicContact CG-CE1 4.06Å; K227-F229 HydrophobicContact CG-CE2 4.01Å; K227-F229 HydrophobicContact CG-CZ 3.53Å
228K98.1Very high96.6Very high2 Ų231.9 Ų31.91%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-124.1149.7179.1-59.5-56.8-176.4167.70111.1F171 A174 D175 F201 S220 G221 M223 R226F171-K228 HydrophobicContact CD1-CB 3.79Å; F171-K228 HydrophobicContact CD1-CD 4.16Å; F171-K228 HydrophobicContact CD1-CG 3.89Å; F171-K228 HydrophobicContact CE1-CB 3.9Å; F171-K228 HydrophobicContact CE1-CG 4.49Å; F171-K228 HydrophobicContact CG-CG 4.41Å; F171-K228 VanDerWaalsContact O-CE 3.24Å; F171-K228 WeakPolarHBondContact O-CE 3.4Å; F171-K228 PolarHBondContact O-NZ 2.82Å; A174-K228 WeakPolarHBondContact O-CD 3.37Å; A174-K228 WeakPolarHBondContact O-CE 3.24Å; A174-K228 PolarHBondContact O-NZ 2.84Å; D175-K228 IonicContact OD1-NZ 2.67Å; D175-K228 PolarHBondContact OD1-NZ 3.22Å; F201-K228 HydrophobicContact CE1-CB 4.18Å; F201-K228 HydrophobicContact CZ-CB 3.78Å; S220-K228 VanDerWaalsContact CA-O 3.24Å; S220-K228 WeakPolarHBondContact CA-O 3.35Å; G221-K228 PolarHBondContact N-O 3.1Å; G221-K228 PolarHBondContact O-N 2.89Å; M223-K228 HydrophobicContact CB-CG 3.85Å; M223-K228 HydrophobicContact CG-CG 4.28Å; R226-K228 PolarHBondContact O-N 2.93Å
229F98.6Very high96.5Very high0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-123.2146.7-179.8-56.3-77.5000111.2E14 L15 Y18 D175 V176 I177 F218 K227 M255E14-F229 HydrophobicContact CB-CE1 4.19Å; L15-F229 HydrophobicContact CD2-CD1 4.09Å; L15-F229 HydrophobicContact CD2-CD2 3.95Å; L15-F229 HydrophobicContact CD2-CE1 3.85Å; L15-F229 HydrophobicContact CD2-CE2 3.72Å; L15-F229 HydrophobicContact CD2-CG 4.13Å; L15-F229 HydrophobicContact CD2-CZ 3.65Å; Y18-F229 AromaticContact CD2-CE2 3.85Å; Y18-F229 HydrophobicContact CD2-CE2 3.85Å; Y18-F229 HydrophobicContact CG-CE2 4.11Å; D175-F229 PolarHBondContact O-N 3.48Å; V176-F229 WeakPolarHBondContact CA-O 3.07Å; V176-F229 HydrophobicContact CG2-CB 4.32Å; V176-F229 HydrophobicContact CG2-CD2 4.46Å; I177-F229 PolarHBondContact N-O 3.23Å; F218-F229 HydrophobicContact CE2-CB 4.13Å; F218-F229 AromaticContact CE2-CD1 3.9Å; F218-F229 HydrophobicContact CE2-CD1 3.9Å; F218-F229 HydrophobicContact CE2-CG 4.4Å; F218-F229 AromaticContact CZ-CD1 3.64Å; F218-F229 HydrophobicContact CZ-CD1 3.64Å; F218-F229 HydrophobicContact CZ-CE1 4.25Å; K227-F229 HydrophobicContact CD-CZ 4.47Å; K227-F229 HydrophobicContact CG-CE1 4.06Å; K227-F229 HydrophobicContact CG-CE2 4.01Å; K227-F229 HydrophobicContact CG-CZ 3.53Å; F229-M255 HydrophobicContact CD2-CE 3.88Å; F229-M255 HydrophobicContact CD2-SD 4.35Å; F229-M255 HydrophobicContact CE2-CE 3.99Å
230F98.4Very high96.5Very high0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-133.2127.4178.1177.5-83.7000109.8F167 F171 I177 M183 L191 L195 F201 F218 M219F167-F230 HydrophobicContact CE1-CD2 4.23Å; F167-F230 AromaticContact CE1-CE2 3.67Å; F167-F230 HydrophobicContact CE1-CE2 3.67Å; F167-F230 HydrophobicContact CE2-CE2 4.38Å; F167-F230 HydrophobicContact CZ-CD2 4.42Å; F167-F230 AromaticContact CZ-CE2 3.56Å; F167-F230 HydrophobicContact CZ-CE2 3.56Å; F167-F230 HydrophobicContact CZ-CZ 4.27Å; F171-F230 HydrophobicContact CZ-CB 4.27Å; F171-F230 HydrophobicContact CZ-CD2 4.3Å; I177-F230 HydrophobicContact CB-CD2 3.99Å; I177-F230 HydrophobicContact CG2-CD2 3.9Å; I177-F230 HydrophobicContact CG2-CE2 3.98Å; I177-F230 CarbonylContact O-C 3.58Å; I177-F230 WeakPolarHBondContact O-CA 3.37Å; M183-F230 HydrophobicContact CE-CE1 3.32Å; M183-F230 HydrophobicContact CE-CZ 3.58Å; M183-F230 HydrophobicContact SD-CE1 4.36Å; L191-F230 HydrophobicContact CD1-CZ 4.32Å; L191-F230 HydrophobicContact CD2-CE1 4.09Å; L191-F230 HydrophobicContact CD2-CE2 4Å; L191-F230 HydrophobicContact CD2-CZ 3.47Å; L191-F230 VanDerWaalsContact CD2-CZ 3.47Å; L195-F230 HydrophobicContact CD1-CD1 3.53Å; L195-F230 HydrophobicContact CD1-CD2 3.8Å; L195-F230 HydrophobicContact CD1-CE1 3.58Å; L195-F230 HydrophobicContact CD1-CE2 3.84Å; L195-F230 HydrophobicContact CD1-CG 3.66Å; L195-F230 HydrophobicContact CD1-CZ 3.73Å; L195-F230 HydrophobicContact CD2-CD2 4.22Å; L195-F230 HydrophobicContact CD2-CG 4.44Å; F201-F230 HydrophobicContact CD1-CB 4.19Å; F201-F230 HydrophobicContact CE1-CB 4.07Å; F218-F230 WeakPolarHBondContact CA-O 3.34Å; M219-F230 HydrophobicContact CB-CB 4.24Å; M219-F230 HydrophobicContact CB-CD1 4.43Å; M219-F230 HydrophobicContact CG-CD1 4.25Å; M219-F230 PolarHBondContact N-O 2.84Å; M219-F230 PolarHBondContact O-N 2.86Å; M219-F230 HydrophobicContact SD-CD1 4.08Å
231F98.4Very high96.4Very high1 Ų132 Ų320%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-109.5117.2171.5-70.1-85000109.4I11 V176 I177 I178 S179 A217 F218 L233 V248 A251I11-F231 HydrophobicContact CD1-CE1 3.95Å; I11-F231 HydrophobicContact CG1-CE1 4.27Å; I11-F231 HydrophobicContact CG2-CZ 4.19Å; V176-F231 HydrophobicContact CG1-CD2 3.6Å; V176-F231 HydrophobicContact CG1-CE2 3.8Å; I177-F231 PolarHBondContact O-N 2.86Å; I178-F231 WeakPolarHBondContact CA-O 3.16Å; S179-F231 PolarHBondContact N-O 3.09Å; A217-F231 WeakPolarHBondContact O-CA 3.37Å; F218-F231 AromaticContact CD2-CD1 3.83Å; F218-F231 HydrophobicContact CD2-CD1 3.83Å; F218-F231 AromaticContact CD2-CE1 3.43Å; F218-F231 HydrophobicContact CD2-CE1 3.43Å; F218-F231 VanDerWaalsContact CD2-CE1 3.43Å; F218-F231 HydrophobicContact CD2-CE2 4.18Å; F218-F231 HydrophobicContact CD2-CG 4.36Å; F218-F231 AromaticContact CD2-CZ 3.62Å; F218-F231 HydrophobicContact CD2-CZ 3.62Å; F218-F231 AromaticContact CE2-CE1 3.91Å; F218-F231 HydrophobicContact CE2-CE1 3.91Å; F218-F231 HydrophobicContact CE2-CE2 4.04Å; F218-F231 AromaticContact CE2-CZ 3.59Å; F218-F231 HydrophobicContact CE2-CZ 3.59Å; F218-F231 HydrophobicContact CG-CE1 4.24Å; F231-L233 HydrophobicContact CB-CD2 4.24Å; F231-V248 HydrophobicContact CB-CG2 4.04Å; F231-V248 HydrophobicContact CD1-CG2 3.91Å; F231-V248 HydrophobicContact CD2-CG1 4.44Å; F231-V248 HydrophobicContact CD2-CG2 4.36Å; F231-V248 HydrophobicContact CE1-CG2 4.46Å; F231-V248 HydrophobicContact CG-CG2 3.84Å; F231-A251 HydrophobicContact CE1-CB 4.46Å; F231-A251 HydrophobicContact CE2-CB 4.21Å; F231-A251 HydrophobicContact CZ-CB 3.58Å
232G96.8Very high96.4Very high0 Ų031.9 Ų31.90%016%0.158CC..EExtended strand (participates in β ladder)trans-95.2104.6171.800000110T216 A217T216-G232 CarbonylContact C-O 3.59Å; T216-G232 WeakPolarHBondContact CA-O 3.49Å; A217-G232 PolarHBondContact N-O 2.89Å; A217-G232 PolarHBondContact O-N 2.91Å
233L96.9Very high96.4Very high0 Ų024.9 Ų24.90%013%0.131CC..EExtended strand (participates in β ladder)trans-93.9152.4179.5-52.2-168.9000111L139 I178 S179 G181 T216 F231 A240 A244 V248L139-L233 HydrophobicContact CD1-CD1 4.17Å; L139-L233 HydrophobicContact CD2-CD1 3.87Å; I178-L233 HydrophobicContact CG2-CD1 3.61Å; I178-L233 HydrophobicContact CG2-CG 3.86Å; S179-L233 WeakPolarHBondContact O-CA 3.28Å; S179-L233 WeakPolarHBondContact O-CB 3.36Å; S179-L233 PolarHBondContact O-N 3.11Å; G181-L233 PolarHBondContact N-O 3.3Å; T216-L233 HydrophobicContact CG2-CD2 4.13Å; F231-L233 HydrophobicContact CB-CD2 4.24Å; L233-A240 HydrophobicContact CB-CB 4.33Å; L233-A240 HydrophobicContact CD1-CB 4.49Å; L233-A244 HydrophobicContact CD1-CB 4.26Å; L233-V248 HydrophobicContact CD1-CG2 4.26Å; L233-V248 HydrophobicContact CD2-CG2 3.9Å
234P94.5Very high96.5Very high6 Ų623.9 Ų23.94%0.03913%0.126CC..  trans-66.6145.7179.2-17.431.7000112.1P215 N236P215-P234 HydrophobicContact CG-CB 3.7Å; P215-P234 HydrophobicContact CG-CG 3.74Å; P234-N236 PolarHBondContact O-N 3.02Å
235G93.6Very high96.6Very high42 Ų4218.7 Ų18.743%0.43311%0.106SC..SBendtrans-65.5-18.8177.300000114.8N135 P237N135-G235 PolarHBondContact ND2-O 3.34Å; G235-P237 WeakPolarHBondContact O-CD 3.32Å
236N94.7Very high96.7Very high68 Ų6811.3 Ų11.336%0.3647%0.066SC..SBendtrans-69.5123.7174.8-90.2-38.6000111.1P234 V238 S239 A240 S307P234-N236 PolarHBondContact O-N 3.02Å; N236-V238 PolarHBondContact O-N 3.04Å; N236-S239 WeakPolarHBondContact CB-OG 3.2Å; N236-S239 WeakPolarHBondContact O-CA 3.37Å; N236-S239 WeakPolarHBondContact O-CB 3.31Å; N236-S239 PolarHBondContact O-N 3.01Å; N236-A240 PolarHBondContact O-N 3.01Å; N236-S307 WeakPolarHBondContact CB-O 2.88Å; N236-S307 PolarHBondContact ND2-OG 3.12Å; N236-S307 VanDerWaalsContact ND2-OG 3.14Å
237P95Very high96.8Very high19 Ų198.4 Ų8.412%0.1236%0.056CC..Hα-helixtrans-60.2-42.5-167.3-27.334.1000116.3N135 G235 S239 A240 W241 L310N135-P237 WeakPolarHBondContact OD1-CA 3.38Å; N135-P237 WeakPolarHBondContact OD1-CB 3.41Å; N135-P237 WeakPolarHBondContact OD1-CG 3.34Å; G235-P237 WeakPolarHBondContact O-CD 3.32Å; P237-S239 PolarHBondContact O-N 3.46Å; P237-A240 PolarHBondContact O-N 3.33Å; P237-W241 PolarHBondContact O-N 3.25Å; P237-L310 HydrophobicContact CB-CB 4.21Å; P237-L310 HydrophobicContact CB-CD1 3.66Å; P237-L310 HydrophobicContact CB-CD2 4.39Å; P237-L310 HydrophobicContact CB-CG 4.29Å
238V96.6Very high96.9Very high0 Ų07.4 Ų7.40%05%0.051CC..Hα-helixtrans-62.8-36.7176.1-177.80000110.4P212 N236 W241 V242 R284 S307 R309 I313P212-V238 HydrophobicContact CG-CG1 4.06Å; N236-V238 PolarHBondContact O-N 3.04Å; V238-W241 PolarHBondContact O-N 3.2Å; V238-V242 HydrophobicContact CG1-CG2 4.25Å; V238-V242 WeakPolarHBondContact O-CB 3.24Å; V238-V242 VanDerWaalsContact O-CG2 3.28Å; V238-V242 WeakPolarHBondContact O-CG2 3.46Å; V238-V242 PolarHBondContact O-N 3.01Å; V238-R284 VanDerWaalsContact CG1-CZ 3.46Å; V238-S307 VanDerWaalsContact CB-O 3.29Å; V238-S307 WeakPolarHBondContact CB-O 3.16Å; V238-S307 WeakPolarHBondContact CG2-O 3.26Å; V238-S307 PolarHBondContact N-O 3.46Å; V238-R309 VanDerWaalsContact CG2-O 3.24Å; V238-R309 WeakPolarHBondContact CG2-O 3.06Å; V238-I313 HydrophobicContact CB-CG2 4.34Å; V238-I313 HydrophobicContact CG1-CG2 3.91Å; V238-I313 HydrophobicContact CG2-CG2 4.22Å
239S96.6Very high96.8Very high5 Ų57.3 Ų7.34%0.0355%0.051CC..Hα-helixtrans-65.6-49.1179.5-49.10000110.4P212 N236 P237 W241 V242 T243 S307P212-S239 WeakPolarHBondContact CB-OG 3.44Å; N236-S239 WeakPolarHBondContact CB-OG 3.2Å; N236-S239 WeakPolarHBondContact O-CA 3.37Å; N236-S239 WeakPolarHBondContact O-CB 3.31Å; N236-S239 PolarHBondContact O-N 3.01Å; P237-S239 PolarHBondContact O-N 3.46Å; S239-W241 VanDerWaalsContact C-N 3.3Å; S239-W241 PolarHBondContact O-N 2.98Å; S239-V242 PolarHBondContact O-N 3.3Å; S239-T243 WeakPolarHBondContact O-CB 3.47Å; S239-T243 VanDerWaalsContact O-CG2 3.24Å; S239-T243 WeakPolarHBondContact O-CG2 3.09Å; S239-T243 PolarHBondContact O-N 2.89Å; S239-T243 PolarHBondContact O-OG1 2.78Å; S239-S307 WeakPolarHBondContact OG-CB 3.38Å
240A97Very high96.7Very high0 Ų08 Ų80%06%0.055CC..Hα-helixtrans-55.3-46.2176.900000111.5N135 M138 L233 N236 P237 T243 A244N135-A240 HydrophobicContact CB-CB 4.45Å; M138-A240 HydrophobicContact CE-CB 3.92Å; L233-A240 HydrophobicContact CB-CB 4.33Å; L233-A240 HydrophobicContact CD1-CB 4.49Å; N236-A240 PolarHBondContact O-N 3.01Å; P237-A240 PolarHBondContact O-N 3.33Å; A240-T243 PolarHBondContact O-N 2.97Å; A240-T243 PolarHBondContact O-OG1 3.02Å; A240-T243 VanDerWaalsContact O-OG1 3.1Å; A240-A244 VanDerWaalsContact O-CB 3.25Å; A240-A244 WeakPolarHBondContact O-CB 3.25Å; A240-A244 PolarHBondContact O-N 2.85Å
241W97.5Very high96.6Very high3 Ų38 Ų81%0.0116%0.055CC..Hα-helixtrans-62.5-47.9178.3-168.384.3000113M138 P237 V238 S239 A244 H245 I313 T316 L319 V343M138-W241 HydrophobicContact CE-CB 3.81Å; M138-W241 HydrophobicContact SD-CB 3.77Å; M138-W241 HydrophobicContact SD-CG 4.11Å; P237-W241 PolarHBondContact O-N 3.25Å; V238-W241 PolarHBondContact O-N 3.2Å; S239-W241 VanDerWaalsContact C-N 3.3Å; S239-W241 PolarHBondContact O-N 2.98Å; W241-A244 PolarHBondContact O-N 3.16Å; W241-H245 AromaticContact CD2-CE1 3.66Å; W241-H245 AromaticContact CD2-ND1 3.71Å; W241-H245 AromaticContact CE2-CE1 3.17Å; W241-H245 AromaticContact CE2-ND1 3.73Å; W241-H245 AromaticContact CE3-ND1 3.93Å; W241-H245 AromaticContact CH2-CE1 3.88Å; W241-H245 AromaticContact CZ2-CE1 3.3Å; W241-H245 WeakPolarHBondContact CZ2-CE1 3.28Å; W241-H245 AromaticContact CZ2-ND1 3.99Å; W241-H245 AromaticContact CZ2-NE2 3.83Å; W241-H245 AromaticContact NE1-CE1 3.46Å; W241-H245 PolarHBondContact NE1-CE1 3.06Å; W241-H245 PolarHBondContact O-N 3.18Å; W241-H245 PolarHBondContact O-ND1 2.6Å; W241-I313 HydrophobicContact CB-CD1 4.11Å; W241-I313 HydrophobicContact CD2-CB 4.28Å; W241-I313 HydrophobicContact CD2-CD1 4.17Å; W241-I313 HydrophobicContact CD2-CG2 4.11Å; W241-I313 HydrophobicContact CE3-CB 4.33Å; W241-I313 HydrophobicContact CE3-CG2 3.88Å; W241-I313 HydrophobicContact CG-CD1 3.75Å; W241-I313 HydrophobicContact CG-CG2 4.42Å; W241-I313 HydrophobicContact CZ3-CG2 4.43Å; W241-T316 HydrophobicContact CH2-CG2 3.88Å; W241-T316 HydrophobicContact CZ3-CG2 4.02Å; W241-L319 HydrophobicContact CZ3-CD1 4.39Å; W241-L319 HydrophobicContact CZ3-CD2 3.92Å; W241-L319 HydrophobicContact CZ3-CG 4.29Å; W241-V343 HydrophobicContact CH2-CB 4.36Å; W241-V343 HydrophobicContact CH2-CG2 3.66Å; W241-V343 HydrophobicContact CZ2-CG2 4.48Å; W241-V343 HydrophobicContact CZ3-CG2 4.39Å
242V97.4Very high96.6Very high0 Ų08 Ų80%06%0.055CC..Hα-helixtrans-62.4-47.5178.1166.60000110.6M210 P212 V238 S239 A244 H245 V246 Y282 L319M210-V242 HydrophobicContact CE-CG1 3.85Å; P212-V242 HydrophobicContact CG-CB 4.03Å; P212-V242 HydrophobicContact CG-CG1 4.22Å; P212-V242 HydrophobicContact CG-CG2 3.81Å; V238-V242 HydrophobicContact CG1-CG2 4.25Å; V238-V242 WeakPolarHBondContact O-CB 3.24Å; V238-V242 VanDerWaalsContact O-CG2 3.28Å; V238-V242 WeakPolarHBondContact O-CG2 3.46Å; V238-V242 PolarHBondContact O-N 3.01Å; S239-V242 PolarHBondContact O-N 3.3Å; V242-A244 VanDerWaalsContact C-N 3.27Å; V242-A244 PolarHBondContact O-N 3.02Å; V242-H245 PolarHBondContact O-N 2.99Å; V242-V246 HydrophobicContact CG1-CG2 4.17Å; V242-V246 WeakPolarHBondContact O-CB 3.1Å; V242-V246 VanDerWaalsContact O-CG2 3.3Å; V242-V246 WeakPolarHBondContact O-CG2 3.47Å; V242-V246 PolarHBondContact O-N 3.43Å; V242-Y282 HydrophobicContact CG1-CD2 4.37Å; V242-Y282 HydrophobicContact CG1-CG 4.05Å; V242-L319 HydrophobicContact CG1-CD1 4.25Å; V242-L319 HydrophobicContact CG2-CD1 4.32Å; V242-L319 HydrophobicContact CG2-CD2 4Å
243T97.5Very high96.5Very high0 Ų08.6 Ų8.60%06%0.058CC..Hα-helixtrans-70.3-26.8-177.256.10000112.2M210 G213 T216 S239 A240 C247 V248M210-T243 HydrophobicContact CE-CG2 4.1Å; M210-T243 HydrophobicContact SD-CG2 4.28Å; G213-T243 VanDerWaalsContact CA-CG2 3.49Å; T216-T243 HydrophobicContact CG2-CG2 4.45Å; T216-T243 WeakPolarHBondContact OG1-CG2 3.49Å; S239-T243 WeakPolarHBondContact O-CB 3.47Å; S239-T243 VanDerWaalsContact O-CG2 3.24Å; S239-T243 WeakPolarHBondContact O-CG2 3.09Å; S239-T243 PolarHBondContact O-N 2.89Å; S239-T243 PolarHBondContact O-OG1 2.78Å; A240-T243 PolarHBondContact O-N 2.97Å; A240-T243 PolarHBondContact O-OG1 3.02Å; A240-T243 VanDerWaalsContact O-OG1 3.1Å; T243-C247 WeakPolarHBondContact O-CB 3.36Å; T243-C247 PolarHBondContact O-N 2.83Å; T243-V248 PolarHBondContact O-N 3.06Å
244A97.9Very high96.4Very high0 Ų013.4 Ų13.40%08%0.076CC..Iπ-helixtrans-64.8-44.9170.900000111.2L139 L142 L233 A240 W241 V242 V248 L249L139-A244 HydrophobicContact CD2-CB 3.73Å; L142-A244 HydrophobicContact CD2-CB 3.56Å; L233-A244 HydrophobicContact CD1-CB 4.26Å; A240-A244 VanDerWaalsContact O-CB 3.25Å; A240-A244 WeakPolarHBondContact O-CB 3.25Å; A240-A244 PolarHBondContact O-N 2.85Å; W241-A244 PolarHBondContact O-N 3.16Å; V242-A244 VanDerWaalsContact C-N 3.27Å; V242-A244 PolarHBondContact O-N 3.02Å; A244-V248 HydrophobicContact CB-CB 4.5Å; A244-V248 WeakPolarHBondContact O-CB 3.34Å; A244-V248 PolarHBondContact O-N 2.96Å; A244-V248 VanDerWaalsContact O-N 3.13Å; A244-L249 PolarHBondContact O-N 2.84Å
245H97.3Very high96.5Very high2 Ų213.3 Ų13.31%0.0098%0.075CC..Iπ-helixtrans-67-41.1174.9-72.183.9000113.2L142 W241 V242 P250 L319 V343L142-H245 WeakPolarHBondContact CD1-CE1 3.39Å; W241-H245 AromaticContact CD2-CE1 3.66Å; W241-H245 AromaticContact CD2-ND1 3.71Å; W241-H245 AromaticContact CE2-CE1 3.17Å; W241-H245 AromaticContact CE2-ND1 3.73Å; W241-H245 AromaticContact CE3-ND1 3.93Å; W241-H245 AromaticContact CH2-CE1 3.88Å; W241-H245 AromaticContact CZ2-CE1 3.3Å; W241-H245 WeakPolarHBondContact CZ2-CE1 3.28Å; W241-H245 AromaticContact CZ2-ND1 3.99Å; W241-H245 AromaticContact CZ2-NE2 3.83Å; W241-H245 AromaticContact NE1-CE1 3.46Å; W241-H245 PolarHBondContact NE1-CE1 3.06Å; W241-H245 PolarHBondContact O-N 3.18Å; W241-H245 PolarHBondContact O-ND1 2.6Å; V242-H245 PolarHBondContact O-N 2.99Å; H245-P250 WeakPolarHBondContact O-CD 3.21Å; H245-P250 WeakPolarHBondContact O-CG 3.35Å; H245-L319 HydrophobicContact CB-CD1 4.25Å; H245-V343 HydrophobicContact CB-CG1 4.04Å
246V96.6Very high96.5Very high7 Ų711.4 Ų11.44%0.0426%0.055CC..Iπ-helixtrans-80.8-32.7-172.6174.50000112.5V4 L8 M210 V242 Y282 L319 I341V4-V246 HydrophobicContact CG1-CG1 3.45Å; V4-V246 VanDerWaalsContact CG1-CG1 3.45Å; L8-V246 WeakPolarHBondContact CD2-O 3.4Å; M210-V246 HydrophobicContact CE-CG1 4.41Å; V242-V246 HydrophobicContact CG1-CG2 4.17Å; V242-V246 WeakPolarHBondContact O-CB 3.1Å; V242-V246 VanDerWaalsContact O-CG2 3.3Å; V242-V246 WeakPolarHBondContact O-CG2 3.47Å; V242-V246 PolarHBondContact O-N 3.43Å; V246-Y282 HydrophobicContact CG1-CE1 4.34Å; V246-Y282 HydrophobicContact CG2-CD1 3.83Å; V246-Y282 HydrophobicContact CG2-CE1 3.71Å; V246-Y282 HydrophobicContact CG2-CG 4.3Å; V246-L319 HydrophobicContact CG2-CD1 4.3Å; V246-I341 HydrophobicContact CG2-CD1 4.32Å
247C96.8Very high96.5Very high0 Ų08.6 Ų8.60%04%0.042CC..Iπ-helixtrans-120.3-47.7-173.5-600000113.4I11 T243 A251I11-C247 HydrophobicContact CD1-CB 4.12Å; T243-C247 WeakPolarHBondContact O-CB 3.36Å; T243-C247 PolarHBondContact O-N 2.83Å; C247-A251 WeakPolarHBondContact O-CB 3.49Å; C247-A251 PolarHBondContact O-N 3.46Å
248V97.9Very high96.3Very high0 Ų08.2 Ų8.20%04%0.039CC..Iπ-helixtrans-76.7-53.5-168.9-178.60000111.8I178 F231 L233 T243 A244 A251 L252I178-V248 HydrophobicContact CD1-CG1 3.58Å; I178-V248 HydrophobicContact CG1-CG1 4.01Å; F231-V248 HydrophobicContact CB-CG2 4.04Å; F231-V248 HydrophobicContact CD1-CG2 3.91Å; F231-V248 HydrophobicContact CD2-CG1 4.44Å; F231-V248 HydrophobicContact CD2-CG2 4.36Å; F231-V248 HydrophobicContact CE1-CG2 4.46Å; F231-V248 HydrophobicContact CG-CG2 3.84Å; L233-V248 HydrophobicContact CD1-CG2 4.26Å; L233-V248 HydrophobicContact CD2-CG2 3.9Å; T243-V248 PolarHBondContact O-N 3.06Å; A244-V248 HydrophobicContact CB-CB 4.5Å; A244-V248 WeakPolarHBondContact O-CB 3.34Å; A244-V248 PolarHBondContact O-N 2.96Å; A244-V248 VanDerWaalsContact O-N 3.13Å; V248-A251 WeakPolarHBondContact O-CA 3.3Å; V248-A251 VanDerWaalsContact O-CB 3.26Å; V248-A251 WeakPolarHBondContact O-CB 3.46Å; V248-A251 PolarHBondContact O-N 3.01Å; V248-A251 VanDerWaalsContact O-N 3.08Å; V248-L252 HydrophobicContact CG1-CD1 3.91Å; V248-L252 HydrophobicContact CG1-CG 4.27Å; V248-L252 WeakPolarHBondContact O-CG 3.04Å; V248-L252 PolarHBondContact O-N 3.48Å
249L97.3Very high95.4Very high0 Ų014.8 Ų14.80%07%0.069CC..Hα-helixtrans-59.5-48.4-178.5-69.7171.7000111.1L142 M143 H146 A244 A251 L252 F253 F263L142-L249 HydrophobicContact CD1-CD1 4.13Å; L142-L249 HydrophobicContact CD2-CD1 4.2Å; L142-L249 HydrophobicContact CG-CD1 4.09Å; M143-L249 HydrophobicContact CE-CD2 3.61Å; M143-L249 HydrophobicContact CE-CG 4.18Å; M143-L249 HydrophobicContact SD-CD2 4.04Å; H146-L249 HydrophobicContact CB-CD2 3.95Å; A244-L249 PolarHBondContact O-N 2.84Å; L249-A251 PolarHBondContact O-N 3.35Å; L249-L252 HydrophobicContact CD2-CD1 4.36Å; L249-L252 PolarHBondContact O-N 3.39Å; L249-F253 HydrophobicContact CB-CD2 4.35Å; L249-F253 HydrophobicContact CB-CE2 4.27Å; L249-F253 WeakPolarHBondContact O-CD2 3.28Å; L249-F253 PolarHBondContact O-N 2.75Å; L249-F263 HydrophobicContact CB-CE2 3.46Å; L249-F263 VanDerWaalsContact CB-CE2 3.46Å; L249-F263 HydrophobicContact CB-CZ 3.66Å; L249-F263 HydrophobicContact CD1-CE1 4.48Å; L249-F263 HydrophobicContact CD1-CE2 4.14Å; L249-F263 HydrophobicContact CD1-CZ 3.55Å; L249-F263 HydrophobicContact CG-CE2 4.43Å; L249-F263 HydrophobicContact CG-CZ 4.2Å
250P96.2Very high94.7Very high15 Ų1518 Ų1810%0.0979%0.091CC..Hα-helixtrans-55.1-38174.1-27.536.3000113.2L8 F12 H245 R254 F263L8-P250 HydrophobicContact CD2-CB 4.45Å; F12-P250 HydrophobicContact CE1-CB 4.21Å; F12-P250 HydrophobicContact CZ-CB 4Å; H245-P250 WeakPolarHBondContact O-CD 3.21Å; H245-P250 WeakPolarHBondContact O-CG 3.35Å; P250-R254 VanDerWaalsContact O-CB 3.28Å; P250-R254 WeakPolarHBondContact O-CB 3.41Å; P250-R254 PolarHBondContact O-N 2.66Å; P250-F263 HydrophobicContact CG-CD2 4.19Å; P250-F263 HydrophobicContact CG-CE2 4.28Å
251A96.6Very high94Very high0 Ų023 Ų230%012%0.117CC..Hα-helixtrans-63.4-46.9175.300000112.1I11 L15 F231 C247 V248 L249 R254 M255I11-A251 HydrophobicContact CG2-CB 3.69Å; L15-A251 HydrophobicContact CD1-CB 3.9Å; L15-A251 WeakPolarHBondContact CD1-O 3.5Å; F231-A251 HydrophobicContact CE1-CB 4.46Å; F231-A251 HydrophobicContact CE2-CB 4.21Å; F231-A251 HydrophobicContact CZ-CB 3.58Å; C247-A251 WeakPolarHBondContact O-CB 3.49Å; C247-A251 PolarHBondContact O-N 3.46Å; V248-A251 WeakPolarHBondContact O-CA 3.3Å; V248-A251 VanDerWaalsContact O-CB 3.26Å; V248-A251 WeakPolarHBondContact O-CB 3.46Å; V248-A251 PolarHBondContact O-N 3.01Å; V248-A251 VanDerWaalsContact O-N 3.08Å; L249-A251 PolarHBondContact O-N 3.35Å; A251-R254 WeakPolarHBondContact O-CB 3.24Å; A251-R254 PolarHBondContact O-N 3.03Å; A251-M255 WeakPolarHBondContact O-CG 3.17Å; A251-M255 PolarHBondContact O-N 3.25Å
252L97.2Very high93.5Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-63.6-45.5-180-64.8172000112P107 I109 M143 F148 V176 V248 L249 R254 M255 E256P107-L252 HydrophobicContact CG-CD2 3.94Å; I109-L252 HydrophobicContact CD1-CD1 3.5Å; I109-L252 HydrophobicContact CD1-CD2 3.7Å; I109-L252 HydrophobicContact CD1-CG 4.21Å; I109-L252 HydrophobicContact CG1-CD1 4.49Å; I109-L252 HydrophobicContact CG1-CD2 3.89Å; M143-L252 HydrophobicContact SD-CD1 3.43Å; M143-L252 WeakPolarHBondContact SD-CD1 3.44Å; F148-L252 HydrophobicContact CD2-CD1 4.35Å; F148-L252 HydrophobicContact CE1-CB 3.93Å; F148-L252 HydrophobicContact CE2-CB 3.96Å; F148-L252 HydrophobicContact CE2-CD1 4.49Å; F148-L252 HydrophobicContact CZ-CB 3.63Å; V176-L252 HydrophobicContact CB-CD2 4.31Å; V176-L252 HydrophobicContact CG1-CD2 4.42Å; V176-L252 HydrophobicContact CG2-CD2 3.94Å; V248-L252 HydrophobicContact CG1-CD1 3.91Å; V248-L252 HydrophobicContact CG1-CG 4.27Å; V248-L252 WeakPolarHBondContact O-CG 3.04Å; V248-L252 PolarHBondContact O-N 3.48Å; L249-L252 HydrophobicContact CD2-CD1 4.36Å; L249-L252 PolarHBondContact O-N 3.39Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 2.78Å; L252-M255 HydrophobicContact CD2-SD 4.37Å; L252-M255 WeakPolarHBondContact O-CB 3.29Å; L252-M255 PolarHBondContact O-N 2.94Å; L252-M255 VanDerWaalsContact O-N 3.11Å; L252-E256 PolarHBondContact O-N 3.26Å; L252-E256 VanDerWaalsContact O-N 3.15Å
253F95.8Very high93.3Very high14 Ų1424.9 Ų24.96%0.06113%0.129CC..Hα-helixtrans-60.1-38.3174.1-76.1-67.8000111.6H146 F148 L249 E256 G257 Q258 P262 F263H146-F253 HydrophobicContact CB-CE2 4.29Å; H146-F253 HydrophobicContact CB-CZ 3.95Å; F148-F253 HydrophobicContact CE2-CD1 4.24Å; F148-F253 HydrophobicContact CE2-CD2 4.31Å; F148-F253 AromaticContact CE2-CE1 3.97Å; F148-F253 HydrophobicContact CE2-CE1 3.97Å; F148-F253 HydrophobicContact CE2-CE2 4.07Å; F148-F253 HydrophobicContact CE2-CG 4.42Å; F148-F253 AromaticContact CE2-CZ 3.89Å; F148-F253 HydrophobicContact CE2-CZ 3.89Å; F148-F253 HydrophobicContact CZ-CD1 4.03Å; F148-F253 HydrophobicContact CZ-CE1 4.14Å; F148-F253 HydrophobicContact CZ-CG 4.28Å; F148-F253 HydrophobicContact CZ-CZ 4.48Å; L249-F253 HydrophobicContact CB-CD2 4.35Å; L249-F253 HydrophobicContact CB-CE2 4.27Å; L249-F253 WeakPolarHBondContact O-CD2 3.28Å; L249-F253 PolarHBondContact O-N 2.75Å; F253-E256 PolarHBondContact O-N 3.47Å; F253-G257 PolarHBondContact O-N 2.9Å; F253-Q258 HydrophobicContact CB-CB 4.47Å; F253-Q258 VanDerWaalsContact CD1-OE1 3.28Å; F253-Q258 VanDerWaalsContact O-CB 3.26Å; F253-Q258 WeakPolarHBondContact O-CB 3.41Å; F253-Q258 PolarHBondContact O-N 2.72Å; F253-Q258 VanDerWaalsContact O-N 3.15Å; F253-P262 HydrophobicContact CB-CB 4.5Å; F253-P262 HydrophobicContact CB-CG 4.09Å; F253-P262 HydrophobicContact CD1-CB 4.24Å; F253-P262 HydrophobicContact CD2-CB 3.38Å; F253-P262 HydrophobicContact CD2-CG 3.33Å; F253-P262 HydrophobicContact CE1-CB 4.32Å; F253-P262 HydrophobicContact CE2-CB 3.45Å; F253-P262 VanDerWaalsContact CE2-CB 3.45Å; F253-P262 HydrophobicContact CE2-CG 3.87Å; F253-P262 HydrophobicContact CG-CB 3.8Å; F253-P262 HydrophobicContact CG-CG 3.81Å; F253-P262 HydrophobicContact CZ-CB 3.94Å; F253-F263 HydrophobicContact CE2-CE2 4.32Å; F253-F263 HydrophobicContact CE2-CZ 4.08Å
254R94.8Very high93Very high101 Ų10128 Ų2838%0.38115%0.149SC..Hα-helixtrans-67.7-34.2175.6-165.167175.2145-1112.7F12 L15 P250 A251 L252 E256 G257 Q258F12-R254 HydrophobicContact CD1-CB 4.33Å; F12-R254 HydrophobicContact CD1-CG 4.13Å; F12-R254 HydrophobicContact CE1-CB 4.29Å; F12-R254 HydrophobicContact CE1-CG 4.48Å; L15-R254 HydrophobicContact CD1-CB 3.99Å; L15-R254 HydrophobicContact CD1-CG 4.25Å; P250-R254 VanDerWaalsContact O-CB 3.28Å; P250-R254 WeakPolarHBondContact O-CB 3.41Å; P250-R254 PolarHBondContact O-N 2.66Å; A251-R254 WeakPolarHBondContact O-CB 3.24Å; A251-R254 PolarHBondContact O-N 3.03Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 2.78Å; R254-E256 VanDerWaalsContact C-N 3.35Å; R254-G257 WeakPolarHBondContact O-CA 3.25Å; R254-G257 PolarHBondContact O-N 3.35Å; R254-Q258 PolarHBondContact NH1-O 2.82Å
255M95.7Very high92.9Very high4 Ų432.1 Ų32.12%0.0217%0.17CC..Hα-helixtrans-64.7-36.9174.7-71.8176.27800112.1L15 Y18 K20 P107 D175 V176 F229 A251 L252 G257L15-M255 HydrophobicContact CD1-CG 4.03Å; L15-M255 HydrophobicContact CD2-CG 3.59Å; L15-M255 HydrophobicContact CD2-SD 3.8Å; L15-M255 HydrophobicContact CG-CG 4.31Å; Y18-M255 HydrophobicContact CD1-CB 4.14Å; Y18-M255 HydrophobicContact CD1-CE 3.73Å; Y18-M255 HydrophobicContact CD1-CG 4.2Å; Y18-M255 HydrophobicContact CD2-CE 3.6Å; Y18-M255 HydrophobicContact CE1-CB 4.14Å; Y18-M255 HydrophobicContact CE1-CE 3.63Å; Y18-M255 HydrophobicContact CE2-CE 3.49Å; Y18-M255 VanDerWaalsContact CE2-CE 3.49Å; Y18-M255 HydrophobicContact CG-CE 3.71Å; K20-M255 WeakPolarHBondContact CE-O 3.34Å; P107-M255 HydrophobicContact CB-CB 4.44Å; P107-M255 HydrophobicContact CB-CE 3.81Å; P107-M255 HydrophobicContact CB-SD 4.21Å; P107-M255 HydrophobicContact CG-CB 4.23Å; D175-M255 HydrophobicContact CB-CE 4.36Å; V176-M255 HydrophobicContact CG2-CE 3.66Å; V176-M255 HydrophobicContact CG2-SD 3.47Å; V176-M255 WeakPolarHBondContact CG2-SD 3.22Å; F229-M255 HydrophobicContact CD2-CE 3.88Å; F229-M255 HydrophobicContact CD2-SD 4.35Å; F229-M255 HydrophobicContact CE2-CE 3.99Å; A251-M255 WeakPolarHBondContact O-CG 3.17Å; A251-M255 PolarHBondContact O-N 3.25Å; L252-M255 HydrophobicContact CD2-SD 4.37Å; L252-M255 WeakPolarHBondContact O-CB 3.29Å; L252-M255 PolarHBondContact O-N 2.94Å; L252-M255 VanDerWaalsContact O-N 3.11Å; M255-G257 PolarHBondContact O-N 2.78Å
256E94.8Very high92.7Very high1 Ų133.9 Ų33.91%0.00518%0.181CC..THydrogen-bonded Turntrans-68-9.3171.1-69.5178.2117.500112.9V34 R84 A104 K106 F148 L252 F253 R254V34-E256 HydrophobicContact CB-CB 4.36Å; V34-E256 HydrophobicContact CG2-CB 3.91Å; R84-E256 IonicContact CZ-OE2 3.68Å; R84-E256 IonicContact NH1-OE2 3.93Å; R84-E256 IonicContact NH2-OE1 2.75Å; R84-E256 IonicContact NH2-OE2 3.66Å; R84-E256 PolarHBondContact NH2-OE2 2.96Å; A104-E256 HydrophobicContact CB-CB 4.36Å; A104-E256 WeakPolarHBondContact CB-O 3.39Å; K106-E256 WeakPolarHBondContact CG-OE1 3.23Å; K106-E256 IonicContact NZ-OE1 2.86Å; K106-E256 PolarHBondContact NZ-OE1 2.65Å; F148-E256 VanDerWaalsContact CE1-CD 3.43Å; F148-E256 HydrophobicContact CE1-CG 4.05Å; F148-E256 VanDerWaalsContact CE1-OE2 3.23Å; F148-E256 WeakPolarHBondContact CE1-OE2 3.33Å; F148-E256 WeakPolarHBondContact CZ-OE2 3.46Å; L252-E256 PolarHBondContact O-N 3.26Å; L252-E256 VanDerWaalsContact O-N 3.15Å; F253-E256 PolarHBondContact O-N 3.47Å; R254-E256 VanDerWaalsContact C-N 3.35Å
257G93.2Very high92.7Very high9 Ų936.7 Ų36.79%0.09320%0.201CC..THydrogen-bonded Turntrans82.615.4-177.800000114G82 F253 R254 M255 H259G82-G257 WeakPolarHBondContact CA-O 3.34Å; F253-G257 PolarHBondContact O-N 2.9Å; R254-G257 WeakPolarHBondContact O-CA 3.25Å; R254-G257 PolarHBondContact O-N 3.35Å; M255-G257 PolarHBondContact O-N 2.78Å; G257-H259 PolarHBondContact O-CD2 2.87Å; G257-H259 VanDerWaalsContact O-CD2 3.28Å; G257-H259 PolarHBondContact O-N 3.45Å
258Q90.5Very high92.6Very high12 Ų1236.8 Ų36.86%0.05620%0.201CC..  trans-59.8134.5173.9-168.6169.7-50.700110.5V34 R84 F253 R254 C260V34-Q258 HydrophobicContact CG2-CB 4.18Å; R84-Q258 VanDerWaalsContact CZ-OE1 3.28Å; F253-Q258 HydrophobicContact CB-CB 4.47Å; F253-Q258 VanDerWaalsContact CD1-OE1 3.28Å; F253-Q258 VanDerWaalsContact O-CB 3.26Å; F253-Q258 WeakPolarHBondContact O-CB 3.41Å; F253-Q258 PolarHBondContact O-N 2.72Å; F253-Q258 VanDerWaalsContact O-N 3.15Å; R254-Q258 PolarHBondContact NH1-O 2.82Å; Q258-C260 WeakPolarHBondContact CG-O 3.37Å; Q258-C260 PolarHBondContact NE2-O 3.38Å; Q258-C260 PolarHBondContact NE2-SG 2.77Å; Q258-C260 VanDerWaalsContact NE2-SG 3.38Å
259H78.5Confident92.5Very high138 Ų13837.9 Ų37.964%0.63921%0.208SC*.  trans-89-36178.7-78.8-163.9000112.8G82 G257G82-H259 PolarHBondContact O-N 3.26Å; G257-H259 PolarHBondContact O-CD2 2.87Å; G257-H259 VanDerWaalsContact O-CD2 3.28Å; G257-H259 PolarHBondContact O-N 3.45Å
260C81.3Confident92.4Very high73 Ų7338 Ų3849%0.49321%0.209SC..SBendtrans-83.1145.2-179.952.50000112.2Q258 P262Q258-C260 WeakPolarHBondContact CG-O 3.37Å; Q258-C260 PolarHBondContact NE2-O 3.38Å; Q258-C260 PolarHBondContact NE2-SG 2.77Å; Q258-C260 VanDerWaalsContact NE2-SG 3.38Å; C260-P262 WeakPolarHBondContact O-CD 3.4Å
261D83.7Confident92.2Very high103 Ų10340.6 Ų40.655%0.55122%0.222SC*.  trans-64.4124.1171.4-163.4-34.8000109.2F263D261-F263 PolarHBondContact O-N 3Å; D261-F263 PolarHBondContact OD1-N 3.47Å
262P85.9Confident92Very high33 Ų3341.9 Ų41.921%0.21423%0.231CC..SBendtrans-63.8-23.6175.928.8-40000113.5F253 C260F253-P262 HydrophobicContact CB-CB 4.5Å; F253-P262 HydrophobicContact CB-CG 4.09Å; F253-P262 HydrophobicContact CD1-CB 4.24Å; F253-P262 HydrophobicContact CD2-CB 3.38Å; F253-P262 HydrophobicContact CD2-CG 3.33Å; F253-P262 HydrophobicContact CE1-CB 4.32Å; F253-P262 HydrophobicContact CE2-CB 3.45Å; F253-P262 VanDerWaalsContact CE2-CB 3.45Å; F253-P262 HydrophobicContact CE2-CG 3.87Å; F253-P262 HydrophobicContact CG-CB 3.8Å; F253-P262 HydrophobicContact CG-CG 3.81Å; F253-P262 HydrophobicContact CZ-CB 3.94Å; C260-P262 WeakPolarHBondContact O-CD 3.4Å
263F92.6Very high91.9Very high11 Ų1144.7 Ų44.75%0.04825%0.251CS..SBendtrans-121.694.4-174-55.4-64.1000111.2H146 L249 P250 F253 D261 I265 I341 I342H146-F263 AromaticContact CD2-CE1 3.82Å; H146-F263 AromaticContact CD2-CZ 3.72Å; H146-F263 AromaticContact NE2-CE1 3.34Å; H146-F263 VanDerWaalsContact NE2-CE1 3.34Å; H146-F263 WeakPolarHBondContact NE2-CE1 3.3Å; H146-F263 AromaticContact NE2-CZ 3.55Å; L249-F263 HydrophobicContact CB-CE2 3.46Å; L249-F263 VanDerWaalsContact CB-CE2 3.46Å; L249-F263 HydrophobicContact CB-CZ 3.66Å; L249-F263 HydrophobicContact CD1-CE1 4.48Å; L249-F263 HydrophobicContact CD1-CE2 4.14Å; L249-F263 HydrophobicContact CD1-CZ 3.55Å; L249-F263 HydrophobicContact CG-CE2 4.43Å; L249-F263 HydrophobicContact CG-CZ 4.2Å; P250-F263 HydrophobicContact CG-CD2 4.19Å; P250-F263 HydrophobicContact CG-CE2 4.28Å; F253-F263 HydrophobicContact CE2-CE2 4.32Å; F253-F263 HydrophobicContact CE2-CZ 4.08Å; D261-F263 PolarHBondContact O-N 3Å; D261-F263 PolarHBondContact OD1-N 3.47Å; F263-I265 PolarHBondContact O-N 3.16Å; F263-I341 HydrophobicContact CB-CG2 3.49Å; F263-I341 VanDerWaalsContact CB-CG2 3.49Å; F263-I341 HydrophobicContact CG-CG2 4.34Å; F263-I342 WeakPolarHBondContact CD1-O 3.49Å
264P92.8Very high91.8Very high65 Ų6545.1 Ų45.142%0.42225%0.252SS..  trans-62.5135.2-177.623.6-30.7000111.3I342P264-I342 HydrophobicContact CG-CB 4.14Å; P264-I342 HydrophobicContact CG-CD1 4.28Å; P264-I342 PolarHBondContact O-N 3.44Å
265I95.1Very high91.8Very high86 Ų8646.2 Ų46.244%0.44127%0.266SS..EExtended strand (participates in β ladder)trans-92.2123.5171.5-55-179.1000107.8F263 M321 Q339 G340 I341F263-I265 PolarHBondContact O-N 3.16Å; I265-M321 HydrophobicContact CD1-SD 4.04Å; I265-M321 HydrophobicContact CG1-SD 4.46Å; I265-M321 HydrophobicContact CG2-SD 4.1Å; I265-Q339 HydrophobicContact CG2-CB 3.94Å; I265-Q339 HydrophobicContact CG2-CG 4.42Å; I265-G340 WeakPolarHBondContact CA-O 3.25Å; I265-I341 HydrophobicContact CG1-CG1 4.24Å
266V94.3Very high91.8Very high40 Ų4046.7 Ų46.724%0.24227%0.268CS..EExtended strand (participates in β ladder)trans-126.6154.3-177.7-62.10000111.1V268 M318 Q339 G340 I342V266-V268 HydrophobicContact CG2-CG1 4.02Å; V266-M318 HydrophobicContact CG2-CE 3.5Å; V266-Q339 CarbonylContact O-C 3.6Å; V266-Q339 WeakPolarHBondContact O-CA 3.4Å; V266-G340 PolarHBondContact N-O 3.12Å; V266-G340 PolarHBondContact O-N 3.45Å; V266-I342 HydrophobicContact CG1-CD1 4Å; V266-I342 HydrophobicContact CG2-CD1 3.9Å; V266-I342 HydrophobicContact CG2-CG1 3.92Å
267S95.3Very high91.8Very high65 Ų6547.9 Ų47.946%0.45528%0.275SS..EExtended strand (participates in β ladder)trans-84.1129.9171.4-56.50000109.8V338 Q339S267-V338 WeakPolarHBondContact CA-O 3.24Å; S267-Q339 PolarHBondContact OG-NE2 2.94Å
268V95.1Very high91.9Very high2 Ų251.8 Ų51.81%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-134.5148.1179.9-66.20000111.1V266 W296 A298 M318 L320 I337 V338V266-V268 HydrophobicContact CG2-CG1 4.02Å; V268-W296 WeakPolarHBondContact CA-O 3.29Å; V268-W296 HydrophobicContact CG1-CB 3.82Å; V268-A298 HydrophobicContact CB-CB 4.03Å; V268-A298 HydrophobicContact CG2-CB 3.69Å; V268-M318 HydrophobicContact CB-SD 4.38Å; V268-M318 HydrophobicContact CG1-CE 3.67Å; V268-M318 HydrophobicContact CG1-SD 3.8Å; V268-M318 HydrophobicContact CG2-SD 3.8Å; V268-L320 HydrophobicContact CG2-CD2 3.52Å; V268-I337 CarbonylContact O-C 3.51Å; V268-I337 WeakPolarHBondContact O-CA 3.31Å; V268-V338 HydrophobicContact CG2-CG2 4.01Å; V268-V338 PolarHBondContact N-O 3.14Å; V268-V338 PolarHBondContact O-N 2.77Å
269T95.3Very high92.1Very high23 Ų2354.1 Ų54.114%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-85.7126.8172.5-55.40000109.2W296 H297 A298 E336T269-W296 PolarHBondContact N-O 2.73Å; T269-H297 CarbonylContact O-C 3.56Å; T269-H297 VanDerWaalsContact O-CA 3.31Å; T269-H297 WeakPolarHBondContact O-CA 3.34Å; T269-A298 PolarHBondContact O-N 2.91Å; T269-E336 WeakPolarHBondContact CA-O 3.11Å
270V94.8Very high92.9Very high3 Ų349.3 Ų49.32%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-79.7134.7177.1-69.90000112.1L320 I332 N333 G335 E336 V338V270-L320 HydrophobicContact CG1-CD1 3.98Å; V270-I332 HydrophobicContact CG1-CG2 4.46Å; V270-I332 HydrophobicContact CG2-CG2 3.49Å; V270-I332 VanDerWaalsContact CG2-CG2 3.49Å; V270-N333 VanDerWaalsContact CG2-O 3.25Å; V270-N333 WeakPolarHBondContact CG2-O 3.47Å; V270-G335 PolarHBondContact O-N 2.98Å; V270-E336 HydrophobicContact CG2-CB 4.16Å; V270-E336 WeakPolarHBondContact CG2-O 3.24Å; V270-E336 PolarHBondContact N-O 2.95Å; V270-V338 HydrophobicContact CG1-CG1 4.33Å; V270-V338 HydrophobicContact CG1-CG2 3.58Å
271D92.7Very high93.7Very high69 Ų6946 Ų4637%0.36927%0.265SS..SBendtrans-80.5-20.9-177.8-69.2-17.2000113.7H297 A298D271-H297 WeakPolarHBondContact OD1-CB 3.4Å; D271-H297 IonicContact OD1-CG 3.05Å; D271-H297 IonicContact OD1-ND1 3.81Å; D271-H297 PolarHBondContact OD1-ND1 3.21Å; D271-A298 PolarHBondContact N-O 3.04Å
272S92.7Very high94.3Very high27 Ų2741.8 Ų41.819%0.18924%0.241CC..SBendtrans-138147.1-177.557.60000111.6H303S272-H303 PolarHBondContact OG-CE1 2.63Å
273S94.2Very high94.8Very high60 Ų6040.2 Ų40.242%0.4223%0.231SC..  trans-65.4147.4173.3-56.60000110.7I332 A334S273-I332 CarbonylContact C-O 3.51Å; S273-I332 WeakPolarHBondContact CA-O 3.42Å; S273-I332 WeakPolarHBondContact CB-O 3.49Å; S273-A334 PolarHBondContact OG-N 3.43Å
274Y95Very high94.9Very high22 Ų2239.9 Ų39.99%0.08623%0.23CC..EExtended strand (participates in β ladder)trans-143.9127.9-175.1-172.5-86.8000111.2E281 V283 I300 Q305 L322 K331 I332Y274-E281 VanDerWaalsContact CE1-OE2 3.27Å; Y274-E281 WeakPolarHBondContact CE1-OE2 3.43Å; Y274-E281 PolarHBondContact OH-OE1 3.11Å; Y274-E281 PolarHBondContact OH-OE2 3.33Å; Y274-V283 HydrophobicContact CD1-CG2 4.35Å; Y274-V283 HydrophobicContact CD2-CG1 4.5Å; Y274-V283 HydrophobicContact CE1-CG2 3.65Å; Y274-V283 HydrophobicContact CE2-CG1 4.09Å; Y274-V283 HydrophobicContact CE2-CG2 4.11Å; Y274-I300 HydrophobicContact CD2-CD1 3.62Å; Y274-I300 HydrophobicContact CE2-CD1 4.4Å; Y274-I300 HydrophobicContact CG-CD1 4.05Å; Y274-Q305 HydrophobicContact CE2-CG 3.82Å; Y274-Q305 WeakPolarHBondContact OH-CB 3.37Å; Y274-Q305 WeakPolarHBondContact OH-CG 3.39Å; Y274-L322 HydrophobicContact CD1-CD1 3.28Å; Y274-L322 HydrophobicContact CE1-CD1 3.68Å; Y274-L322 HydrophobicContact CG-CD1 3.95Å; Y274-K331 CarbonylContact O-C 3.56Å; Y274-K331 VanDerWaalsContact O-CA 3.24Å; Y274-K331 WeakPolarHBondContact O-CA 3.13Å; Y274-K331 WeakPolarHBondContact O-CB 3.11Å; Y274-I332 PolarHBondContact N-O 3.32Å; Y274-I332 PolarHBondContact O-N 3.2Å
275D94.8Very high95.1Very high124 Ų12436.9 Ų36.966%0.66321%0.21SC*.EExtended strand (participates in β ladder)trans-74.8131178.6-65.8-42000111.1
276L95.9Very high95Very high14 Ų1435.4 Ų35.47%0.07320%0.201CC..PPolyproline II helixtrans-78.2145.3-177-66178000111.9L322 P323 W325 R329 T330 I332L276-L322 HydrophobicContact CD2-CB 3.91Å; L276-L322 HydrophobicContact CD2-CD1 4.23Å; L276-P323 HydrophobicContact CD1-CG 4.09Å; L276-P323 HydrophobicContact CD2-CG 4.38Å; L276-P323 WeakPolarHBondContact CD2-O 3.29Å; L276-W325 HydrophobicContact CB-CB 3.9Å; L276-R329 HydrophobicContact CD1-CG 4.03Å; L276-T330 WeakPolarHBondContact CB-O 3.46Å; L276-T330 PolarHBondContact N-O 2.91Å; L276-I332 HydrophobicContact CD1-CD1 4.4Å; L276-I332 HydrophobicContact CD2-CD1 4.09Å; L276-I332 HydrophobicContact CD2-CG1 3.74Å; L276-I332 HydrophobicContact CG-CG1 4.42Å
277D95.2Very high94.9Very high27 Ų2734.6 Ų34.614%0.14419%0.193CC..PPolyproline II helixtrans-86.3154.4171.7-167.5-98.7000110.8K211 R279 Q324 W325K211-D277 HydrophobicContact CD-CB 3.75Å; K211-D277 WeakPolarHBondContact CD-OD1 3.19Å; K211-D277 WeakPolarHBondContact CD-OD2 3.45Å; K211-D277 VanDerWaalsContact CE-OD2 3.29Å; K211-D277 WeakPolarHBondContact CE-OD2 3.27Å; K211-D277 IonicContact NZ-OD2 3.18Å; K211-D277 PolarHBondContact NZ-OD2 3.32Å; D277-R279 PolarHBondContact O-N 2.9Å; D277-R279 VanDerWaalsContact O-O 3.13Å; D277-R279 IonicContact OD1-CZ 3.05Å; D277-R279 PolarHBondContact OD1-N 3.28Å; D277-R279 VanDerWaalsContact OD1-N 3.1Å; D277-R279 IonicContact OD1-NE 2.76Å; D277-R279 PolarHBondContact OD1-NE 3.33Å; D277-R279 IonicContact OD1-NH2 3.85Å; D277-Q324 CarbonylContact O-C 3.49Å; D277-W325 VanDerWaalsContact O-CB 3.3Å; D277-W325 WeakPolarHBondContact O-CB 3.49Å; D277-W325 PolarHBondContact O-N 3.07Å
278P94.2Very high94.6Very high90 Ų9033.6 Ų33.658%0.58419%0.186SC*.SBendtrans-56-11.2170.3-28.336.6000115.4
279R94.9Very high94.1Very high62 Ų6236.5 Ų36.523%0.23421%0.21CC..SBendtrans-117.1155173.1-61.4169.4-68.7169.2-9.7110.2F209 M210 K211 D277 E281F209-R279 HydrophobicContact CD2-CG 4.02Å; F209-R279 HydrophobicContact CE2-CB 4.34Å; F209-R279 HydrophobicContact CE2-CG 3.6Å; F209-R279 HydrophobicContact CZ-CB 4.42Å; F209-R279 HydrophobicContact CZ-CG 4.08Å; M210-R279 PolarHBondContact O-NH1 3.05Å; K211-R279 HydrophobicContact CB-CB 4.47Å; D277-R279 PolarHBondContact O-N 2.9Å; D277-R279 VanDerWaalsContact O-O 3.13Å; D277-R279 IonicContact OD1-CZ 3.05Å; D277-R279 PolarHBondContact OD1-N 3.28Å; D277-R279 VanDerWaalsContact OD1-N 3.1Å; D277-R279 IonicContact OD1-NE 2.76Å; D277-R279 PolarHBondContact OD1-NE 3.33Å; D277-R279 IonicContact OD1-NH2 3.85Å; R279-E281 PolarHBondContact O-N 3.06Å
280P96.4Very high92.9Very high37 Ų3738.5 Ų38.524%0.2422%0.22CC..  trans-54.2135166.3-22.133.3000110.7F209 M210 K211 L322 Q324F209-P280 HydrophobicContact CD1-CG 4.16Å; F209-P280 HydrophobicContact CE1-CG 4.13Å; M210-P280 CarbonylContact C-O 3.57Å; M210-P280 WeakPolarHBondContact CA-O 3.4Å; K211-P280 PolarHBondContact N-O 3.19Å; P280-L322 CarbonylContact C-O 3.57Å; P280-L322 WeakPolarHBondContact CA-O 3.31Å; P280-Q324 HydrophobicContact CG-CB 4.34Å
281E96.4Very high91.4Very high2 Ų242.4 Ų42.41%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-120.2132.4-172.4-167166.6-152.500111.9K211 Y274 R279 V283 L322K211-E281 HydrophobicContact CB-CB 4.31Å; K211-E281 HydrophobicContact CB-CG 4.05Å; K211-E281 HydrophobicContact CD-CG 4.08Å; K211-E281 WeakPolarHBondContact CD-OE1 3.31Å; K211-E281 WeakPolarHBondContact CE-OE1 3.21Å; K211-E281 HydrophobicContact CG-CG 4.03Å; K211-E281 IonicContact NZ-OE1 2.72Å; K211-E281 PolarHBondContact NZ-OE1 2.76Å; K211-E281 IonicContact NZ-OE2 2.85Å; K211-E281 PolarHBondContact NZ-OE2 3.07Å; K211-E281 CarbonylContact O-C 3.58Å; K211-E281 VanDerWaalsContact O-CA 3.28Å; K211-E281 WeakPolarHBondContact O-CA 3.18Å; Y274-E281 VanDerWaalsContact CE1-OE2 3.27Å; Y274-E281 WeakPolarHBondContact CE1-OE2 3.43Å; Y274-E281 PolarHBondContact OH-OE1 3.11Å; Y274-E281 PolarHBondContact OH-OE2 3.33Å; R279-E281 PolarHBondContact O-N 3.06Å; E281-V283 HydrophobicContact CB-CG2 4.17Å; E281-V283 HydrophobicContact CG-CG2 3.64Å; E281-V283 PolarHBondContact O-N 2.88Å; E281-L322 HydrophobicContact CB-CB 4.48Å; E281-L322 PolarHBondContact N-O 2.68Å; E281-L322 PolarHBondContact O-N 3.44Å
282Y97.1Very high90.3Very high16 Ų1642.3 Ų42.36%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-92.987.8169.2-67.5-88.8000108.5V4 M210 K211 V242 V246 L319 L320 M321 I341V4-Y282 WeakPolarHBondContact CG1-OH 3.3Å; V4-Y282 HydrophobicContact CG2-CE2 3.97Å; M210-Y282 HydrophobicContact CB-CD2 4.31Å; M210-Y282 HydrophobicContact CB-CE2 4Å; M210-Y282 HydrophobicContact CE-CD2 3.45Å; M210-Y282 VanDerWaalsContact CE-CD2 3.45Å; M210-Y282 HydrophobicContact CE-CE2 3.53Å; M210-Y282 HydrophobicContact CE-CG 4.36Å; M210-Y282 HydrophobicContact SD-CE2 4.45Å; K211-Y282 PolarHBondContact O-N 2.97Å; V242-Y282 HydrophobicContact CG1-CD2 4.37Å; V242-Y282 HydrophobicContact CG1-CG 4.05Å; V246-Y282 HydrophobicContact CG1-CE1 4.34Å; V246-Y282 HydrophobicContact CG2-CD1 3.83Å; V246-Y282 HydrophobicContact CG2-CE1 3.71Å; V246-Y282 HydrophobicContact CG2-CG 4.3Å; Y282-L319 HydrophobicContact CD1-CB 4.28Å; Y282-L320 CarbonylContact C-O 3.45Å; Y282-L320 VanDerWaalsContact CA-O 3.27Å; Y282-L320 WeakPolarHBondContact CA-O 3.49Å; Y282-M321 HydrophobicContact CD1-CG 4.29Å; Y282-M321 HydrophobicContact CE1-CE 4.49Å; Y282-M321 HydrophobicContact CE1-CG 3.94Å; Y282-I341 HydrophobicContact CD1-CD1 4.2Å; Y282-I341 HydrophobicContact CE1-CD1 3.75Å
283V96.3Very high89Confident0 Ų044.6 Ų44.60%029%0.289CS..EExtended strand (participates in β ladder)trans-81.8129.3-177.11730000109.6Y274 E281 A285 I300 Q305 L319 L320 L322Y274-V283 HydrophobicContact CD1-CG2 4.35Å; Y274-V283 HydrophobicContact CD2-CG1 4.5Å; Y274-V283 HydrophobicContact CE1-CG2 3.65Å; Y274-V283 HydrophobicContact CE2-CG1 4.09Å; Y274-V283 HydrophobicContact CE2-CG2 4.11Å; E281-V283 HydrophobicContact CB-CG2 4.17Å; E281-V283 HydrophobicContact CG-CG2 3.64Å; E281-V283 PolarHBondContact O-N 2.88Å; V283-A285 PolarHBondContact O-N 3.42Å; V283-I300 HydrophobicContact CG1-CD1 3.84Å; V283-I300 HydrophobicContact CG1-CG1 3.93Å; V283-I300 HydrophobicContact CG1-CG2 4.07Å; V283-Q305 HydrophobicContact CG1-CG 4.12Å; V283-L319 CarbonylContact O-C 3.25Å; V283-L319 WeakPolarHBondContact O-CA 3.46Å; V283-L320 HydrophobicContact CB-CB 4.14Å; V283-L320 HydrophobicContact CG1-CD1 4.44Å; V283-L320 PolarHBondContact N-O 2.85Å; V283-L320 PolarHBondContact O-N 2.86Å; V283-L322 HydrophobicContact CB-CD1 4.24Å; V283-L322 HydrophobicContact CB-CG 4.42Å; V283-L322 HydrophobicContact CG2-CD1 3.55Å; V283-L322 HydrophobicContact CG2-CG 3.96Å
284R95.7Very high88Confident4 Ų451.8 Ų51.82%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-72.5121.8178.1-71.58568.8-164.69.8109.3V238 Q305 S306 S312 I313 T316 L319V238-R284 VanDerWaalsContact CG1-CZ 3.46Å; R284-Q305 PolarHBondContact NH1-O 3.44Å; R284-Q305 VanDerWaalsContact NH2-CA 3.26Å; R284-Q305 PolarHBondContact NH2-O 3.47Å; R284-Q305 VanDerWaalsContact NH2-O 3.12Å; R284-S306 PolarHBondContact NH2-O 3.39Å; R284-S306 VanDerWaalsContact NH2-O 3.11Å; R284-S312 VanDerWaalsContact CZ-OG 3.29Å; R284-S312 PolarHBondContact NE-OG 3.3Å; R284-S312 VanDerWaalsContact NH2-CB 3.28Å; R284-S312 PolarHBondContact NH2-OG 3.01Å; R284-I313 HydrophobicContact CG-CG2 4.16Å; R284-T316 HydrophobicContact CB-CG2 3.83Å; R284-T316 HydrophobicContact CG-CG2 3.95Å; R284-L319 HydrophobicContact CG-CD2 4.05Å
285A95Very high87.3Confident1 Ų152.6 Ų52.61%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-137167.8-179.800000111.6V283 A298 K299 I300 N317 M318 L320V283-A285 PolarHBondContact O-N 3.42Å; A285-A298 HydrophobicContact CB-CB 4.33Å; A285-K299 CarbonylContact C-O 3.17Å; A285-K299 WeakPolarHBondContact CA-O 3.37Å; A285-I300 HydrophobicContact CB-CG1 4.49Å; A285-N317 PolarHBondContact O-N 2.94Å; A285-M318 PolarHBondContact N-O 2.84Å; A285-M318 PolarHBondContact O-N 2.87Å; A285-M318 VanDerWaalsContact O-N 3.13Å; A285-M318 VanDerWaalsContact O-O 3.11Å; A285-L320 HydrophobicContact CB-CD1 3.78Å; A285-L320 HydrophobicContact CB-CD2 4.45Å; A285-L320 HydrophobicContact CB-CG 3.71Å
286F93.4Very high87.1Confident56 Ų5652.5 Ų52.525%0.24631%0.312CS..EExtended strand (participates in β ladder)trans-115.5119.8168.2178.7-95.3000109.7A298 K299 F301 H315 N317 V347F286-A298 WeakPolarHBondContact O-CA 3.41Å; F286-K299 PolarHBondContact N-O 2.82Å; F286-K299 PolarHBondContact O-N 2.95Å; F286-F301 HydrophobicContact CB-CD2 3.66Å; F286-F301 HydrophobicContact CB-CE2 2.96Å; F286-F301 HydrophobicContact CB-CZ 3.47Å; F286-F301 VanDerWaalsContact CB-CZ 3.47Å; F286-F301 HydrophobicContact CD1-CE2 4.01Å; F286-F301 AromaticContact CD1-CZ 3.67Å; F286-F301 HydrophobicContact CD1-CZ 3.67Å; F286-F301 AromaticContact CD2-CE2 3.93Å; F286-F301 HydrophobicContact CD2-CE2 3.93Å; F286-F301 HydrophobicContact CD2-CZ 4.32Å; F286-F301 HydrophobicContact CE1-CZ 4.47Å; F286-F301 HydrophobicContact CG-CD2 4.49Å; F286-F301 AromaticContact CG-CE2 3.4Å; F286-F301 HydrophobicContact CG-CE2 3.4Å; F286-F301 AromaticContact CG-CZ 3.58Å; F286-F301 HydrophobicContact CG-CZ 3.58Å; F286-H315 WeakPolarHBondContact CD2-O 3.47Å; F286-N317 WeakPolarHBondContact CA-OD1 3.37Å; F286-N317 WeakPolarHBondContact CD2-ND2 3.43Å; F286-N317 WeakPolarHBondContact CE2-ND2 3.28Å; F286-V347 HydrophobicContact CD2-CG2 4.16Å; F286-V347 HydrophobicContact CE2-CB 4.19Å; F286-V347 HydrophobicContact CE2-CG2 3.88Å
287Y92Very high87Confident22 Ų2253.4 Ų53.49%0.08632%0.316CS..EExtended strand (participates in β ladder)trans-87.2141.9173.180.6-86.7000110.7W296 H297 N317 M318 I342 R344Y287-W296 HydrophobicContact CD2-CD2 4.32Å; Y287-W296 AromaticContact CD2-CE3 3.47Å; Y287-W296 HydrophobicContact CD2-CE3 3.47Å; Y287-W296 VanDerWaalsContact CD2-CE3 3.47Å; Y287-W296 HydrophobicContact CD2-CH2 4.43Å; Y287-W296 AromaticContact CD2-CZ3 3.52Å; Y287-W296 HydrophobicContact CD2-CZ3 3.52Å; Y287-W296 AromaticContact CE2-CE3 3.92Å; Y287-W296 HydrophobicContact CE2-CE3 3.92Å; Y287-W296 HydrophobicContact CE2-CH2 4.03Å; Y287-W296 AromaticContact CE2-CZ3 3.5Å; Y287-W296 HydrophobicContact CE2-CZ3 3.5Å; Y287-H297 CarbonylContact C-O 3.46Å; Y287-H297 WeakPolarHBondContact CA-O 3.49Å; Y287-N317 HydrophobicContact CD1-CB 4.18Å; Y287-N317 WeakPolarHBondContact CD1-ND2 3.4Å; Y287-N317 WeakPolarHBondContact CD1-OD1 3.26Å; Y287-N317 HydrophobicContact CE1-CB 3.94Å; Y287-N317 VanDerWaalsContact CE1-CG 3.4Å; Y287-N317 WeakPolarHBondContact CE1-ND2 3.43Å; Y287-N317 PolarHBondContact N-OD1 3.09Å; Y287-N317 PolarHBondContact O-ND2 2.99Å; Y287-M318 HydrophobicContact CD1-CB 3.93Å; Y287-M318 HydrophobicContact CD1-CE 3.92Å; Y287-M318 HydrophobicContact CG-CE 3.84Å; Y287-I342 HydrophobicContact CD1-CG1 4.45Å; Y287-I342 HydrophobicContact CE1-CD1 4.44Å; Y287-I342 HydrophobicContact CE1-CG1 4.15Å; Y287-I342 HydrophobicContact CE1-CG2 3.87Å; Y287-I342 HydrophobicContact CE2-CD1 4.47Å; Y287-R344 WeakPolarHBondContact CE1-O 3.3Å; Y287-R344 PolarHBondContact OH-O 3.15Å
288S89.3Confident87Confident44 Ų4452.1 Ų52.131%0.30831%0.309SS..EExtended strand (participates in β ladder)trans-144.7144.2174.951.40000110.2D290 H297S288-D290 PolarHBondContact O-N 2.86Å; S288-H297 PolarHBondContact N-O 3.36Å; S288-H297 PolarHBondContact O-N 3.39Å
289A84.1Confident86.9Confident63 Ų6352.7 Ų52.752%0.52130%0.302SS..EExtended strand (participates in β ladder)trans-73.3127.6168.600000108G291 W296A289-G291 PolarHBondContact O-N 2.94Å; A289-W296 HydrophobicContact CB-CE3 3.89Å; A289-W296 HydrophobicContact CB-CH2 4.07Å; A289-W296 HydrophobicContact CB-CZ3 3.66Å; A289-W296 VanDerWaalsContact N-CE3 3.33Å
290D71.8Confident86.8Confident66 Ų6650 Ų5035%0.35329%0.293SS..  trans-78.9115.6164.1172.813.6000107.9S288 G292 T293 S295 H297S288-D290 PolarHBondContact O-N 2.86Å; D290-G292 PolarHBondContact O-N 2.87Å; D290-G292 PolarHBondContact OD1-N 2.96Å; D290-G292 VanDerWaalsContact OD1-N 3.12Å; D290-T293 VanDerWaalsContact CB-OG1 3.23Å; D290-T293 WeakPolarHBondContact CB-OG1 3.24Å; D290-T293 PolarHBondContact O-N 3.14Å; D290-T293 WeakPolarHBondContact OD2-CB 3.4Å; D290-T293 WeakPolarHBondContact OD2-CG2 3.15Å; D290-T293 PolarHBondContact OD2-OG1 2.79Å; D290-S295 PolarHBondContact N-O 3.06Å; D290-H297 VanDerWaalsContact CB-CD2 3.46Å; D290-H297 WeakPolarHBondContact CB-CD2 3.46Å; D290-H297 IonicContact OD2-NE2 3.96Å
291G63.4Low86Confident85 Ų8553.5 Ų53.588%0.87631%0.305SS*.THydrogen-bonded Turntrans-59.3-16.5-176.700000113.8A289A289-G291 PolarHBondContact O-N 2.94Å
292G69.4Low85.3Confident67 Ų6754.5 Ų54.569%0.69131%0.31SS*.THydrogen-bonded Turntrans-95.2-32.617900000115.6D290D290-G292 PolarHBondContact O-N 2.87Å; D290-G292 PolarHBondContact OD1-N 2.96Å; D290-G292 VanDerWaalsContact OD1-N 3.12Å
293T65.1Low84.5Confident74 Ų7459.4 Ų59.445%0.45433%0.333SS..THydrogen-bonded Turntrans-106.5-7.2-163.452.50000114.8D290 S295D290-T293 VanDerWaalsContact CB-OG1 3.23Å; D290-T293 WeakPolarHBondContact CB-OG1 3.24Å; D290-T293 PolarHBondContact O-N 3.14Å; D290-T293 WeakPolarHBondContact OD2-CB 3.4Å; D290-T293 WeakPolarHBondContact OD2-CG2 3.15Å; D290-T293 PolarHBondContact OD2-OG1 2.79Å; T293-S295 WeakPolarHBondContact CB-OG 3.35Å; T293-S295 PolarHBondContact O-N 3.13Å; T293-S295 PolarHBondContact OG1-OG 3.13Å
294K71.9Confident84.1Confident211 Ų21162.8 Ų62.892%0.91735%0.351SS*.SBendtrans56.211.5-171.3-58-176.1178.5-178.70113.9
295S81.7Confident83.8Confident39 Ų3963.1 Ų63.127%0.27335%0.353SS..  trans-100.5147.1172.941.80000111D290 T293 H297D290-S295 PolarHBondContact N-O 3.06Å; T293-S295 WeakPolarHBondContact CB-OG 3.35Å; T293-S295 PolarHBondContact O-N 3.13Å; T293-S295 PolarHBondContact OG1-OG 3.13Å; S295-H297 PolarHBondContact O-CD2 3.16Å; S295-H297 PolarHBondContact OG-NE2 2.68Å
296W90.5Very high83.7Confident123 Ų12365.2 Ų65.247%0.46637%0.368SS..EExtended strand (participates in β ladder)trans-80.6130.5167.9-68.1102.8000109.2V268 T269 Y287 A289V268-W296 WeakPolarHBondContact CA-O 3.29Å; V268-W296 HydrophobicContact CG1-CB 3.82Å; T269-W296 PolarHBondContact N-O 2.73Å; Y287-W296 HydrophobicContact CD2-CD2 4.32Å; Y287-W296 AromaticContact CD2-CE3 3.47Å; Y287-W296 HydrophobicContact CD2-CE3 3.47Å; Y287-W296 VanDerWaalsContact CD2-CE3 3.47Å; Y287-W296 HydrophobicContact CD2-CH2 4.43Å; Y287-W296 AromaticContact CD2-CZ3 3.52Å; Y287-W296 HydrophobicContact CD2-CZ3 3.52Å; Y287-W296 AromaticContact CE2-CE3 3.92Å; Y287-W296 HydrophobicContact CE2-CE3 3.92Å; Y287-W296 HydrophobicContact CE2-CH2 4.03Å; Y287-W296 AromaticContact CE2-CZ3 3.5Å; Y287-W296 HydrophobicContact CE2-CZ3 3.5Å; A289-W296 HydrophobicContact CB-CE3 3.89Å; A289-W296 HydrophobicContact CB-CH2 4.07Å; A289-W296 HydrophobicContact CB-CZ3 3.66Å; A289-W296 VanDerWaalsContact N-CE3 3.33Å
297H93.4Very high83.6Confident32 Ų3264.3 Ų64.315%0.14837%0.368CS..EExtended strand (participates in β ladder)trans-108147.9176.6-76.9-100.1000109.7T269 D271 Y287 S288 D290 S295T269-H297 CarbonylContact O-C 3.56Å; T269-H297 VanDerWaalsContact O-CA 3.31Å; T269-H297 WeakPolarHBondContact O-CA 3.34Å; D271-H297 WeakPolarHBondContact OD1-CB 3.4Å; D271-H297 IonicContact OD1-CG 3.05Å; D271-H297 IonicContact OD1-ND1 3.81Å; D271-H297 PolarHBondContact OD1-ND1 3.21Å; Y287-H297 CarbonylContact C-O 3.46Å; Y287-H297 WeakPolarHBondContact CA-O 3.49Å; S288-H297 PolarHBondContact N-O 3.36Å; S288-H297 PolarHBondContact O-N 3.39Å; D290-H297 VanDerWaalsContact CB-CD2 3.46Å; D290-H297 WeakPolarHBondContact CB-CD2 3.46Å; D290-H297 IonicContact OD2-NE2 3.96Å; S295-H297 PolarHBondContact O-CD2 3.16Å; S295-H297 PolarHBondContact OG-NE2 2.68Å
298A94.3Very high83.6Confident0 Ų066.8 Ų66.80%039%0.389CS..EExtended strand (participates in β ladder)trans-123.1119.2175.100000110.9V268 T269 D271 A285 F286 M318 L320V268-A298 HydrophobicContact CB-CB 4.03Å; V268-A298 HydrophobicContact CG2-CB 3.69Å; T269-A298 PolarHBondContact O-N 2.91Å; D271-A298 PolarHBondContact N-O 3.04Å; A285-A298 HydrophobicContact CB-CB 4.33Å; F286-A298 WeakPolarHBondContact O-CA 3.41Å; A298-M318 HydrophobicContact CB-SD 4.2Å; A298-L320 HydrophobicContact CB-CD1 4.32Å; A298-L320 HydrophobicContact CB-CD2 3.69Å; A298-L320 HydrophobicContact CB-CG 4.41Å
299K93.6Very high83.8Confident102 Ų10269.5 Ų69.544%0.44339%0.392SS..EExtended strand (participates in β ladder)trans-100.6123.1178.7-174.4165.8174.6-179.80111A285 F286 F301A285-K299 CarbonylContact C-O 3.17Å; A285-K299 WeakPolarHBondContact CA-O 3.37Å; F286-K299 PolarHBondContact N-O 2.82Å; F286-K299 PolarHBondContact O-N 2.95Å; K299-F301 HydrophobicContact CB-CE1 4.39Å; K299-F301 HydrophobicContact CD-CD1 3.82Å; K299-F301 HydrophobicContact CD-CE1 3.47Å; K299-F301 VanDerWaalsContact CD-CE1 3.47Å; K299-F301 HydrophobicContact CD-CZ 4.39Å; K299-F301 HydrophobicContact CG-CD1 3.85Å; K299-F301 HydrophobicContact CG-CE1 3.87Å; K299-F301 PolarHBondContact O-N 2.76Å
300I91.7Very high84.1Confident7 Ų769.5 Ų69.54%0.03638%0.383CS..  trans-8698.8171.2-56.6169.1000107.7Y274 V283 A285 L320Y274-I300 HydrophobicContact CD2-CD1 3.62Å; Y274-I300 HydrophobicContact CE2-CD1 4.4Å; Y274-I300 HydrophobicContact CG-CD1 4.05Å; V283-I300 HydrophobicContact CG1-CD1 3.84Å; V283-I300 HydrophobicContact CG1-CG1 3.93Å; V283-I300 HydrophobicContact CG1-CG2 4.07Å; A285-I300 HydrophobicContact CB-CG1 4.49Å; I300-L320 HydrophobicContact CD1-CD1 4.12Å; I300-L320 HydrophobicContact CG1-CD1 3.97Å
301F81.1Confident85Confident110 Ų11071.6 Ų71.648%0.48239%0.392SS..SBendtrans-71.4-29.4-175.2-70.6-54.9000114.7F286 K299F286-F301 HydrophobicContact CB-CD2 3.66Å; F286-F301 HydrophobicContact CB-CE2 2.96Å; F286-F301 HydrophobicContact CB-CZ 3.47Å; F286-F301 VanDerWaalsContact CB-CZ 3.47Å; F286-F301 HydrophobicContact CD1-CE2 4.01Å; F286-F301 AromaticContact CD1-CZ 3.67Å; F286-F301 HydrophobicContact CD1-CZ 3.67Å; F286-F301 AromaticContact CD2-CE2 3.93Å; F286-F301 HydrophobicContact CD2-CE2 3.93Å; F286-F301 HydrophobicContact CD2-CZ 4.32Å; F286-F301 HydrophobicContact CE1-CZ 4.47Å; F286-F301 HydrophobicContact CG-CD2 4.49Å; F286-F301 AromaticContact CG-CE2 3.4Å; F286-F301 HydrophobicContact CG-CE2 3.4Å; F286-F301 AromaticContact CG-CZ 3.58Å; F286-F301 HydrophobicContact CG-CZ 3.58Å; K299-F301 HydrophobicContact CB-CE1 4.39Å; K299-F301 HydrophobicContact CD-CD1 3.82Å; K299-F301 HydrophobicContact CD-CE1 3.47Å; K299-F301 VanDerWaalsContact CD-CE1 3.47Å; K299-F301 HydrophobicContact CD-CZ 4.39Å; K299-F301 HydrophobicContact CG-CD1 3.85Å; K299-F301 HydrophobicContact CG-CE1 3.87Å; K299-F301 PolarHBondContact O-N 2.76Å
302D79.8Confident86.3Confident23 Ų2367.9 Ų67.912%0.12335%0.353CS..  trans-129.8102.4-177.2-165.2-21.3000109.3N304 Q305 R309D302-N304 PolarHBondContact O-N 3.36Å; D302-N304 VanDerWaalsContact O-N 3.14Å; D302-N304 WeakPolarHBondContact OD1-CB 3.17Å; D302-N304 PolarHBondContact OD1-N 2.75Å; D302-Q305 PolarHBondContact O-NE2 2.94Å; D302-R309 IonicContact OD1-CZ 2.77Å; D302-R309 IonicContact OD1-NE 3.64Å; D302-R309 PolarHBondContact OD1-NE 2.85Å; D302-R309 IonicContact OD1-NH2 3.84Å; D302-R309 PolarHBondContact OD1-NH2 3Å; D302-R309 VanDerWaalsContact OD1-NH2 3.15Å; D302-R309 IonicContact OD2-CZ 3.52Å; D302-R309 IonicContact OD2-NE 3.73Å; D302-R309 PolarHBondContact OD2-NE 3.35Å; D302-R309 IonicContact OD2-NH2 3.44Å; D302-R309 PolarHBondContact OD2-NH2 3.01Å
303H80.5Confident87.4Confident118 Ų11865.6 Ų65.655%0.54632%0.324SS..SBendtrans-65.7-13.9178.5-72.6-78.6000112.9S272 Q305S272-H303 PolarHBondContact OG-CE1 2.63Å; H303-Q305 VanDerWaalsContact C-N 3.32Å; H303-Q305 PolarHBondContact O-N 2.97Å
304N88.1Confident88.6Confident72 Ų7268.1 Ų68.139%0.38533%0.325SS..  trans-79.986.4168.8-174.2-16.8000109.8D302 S306 R309D302-N304 PolarHBondContact O-N 3.36Å; D302-N304 VanDerWaalsContact O-N 3.14Å; D302-N304 WeakPolarHBondContact OD1-CB 3.17Å; D302-N304 PolarHBondContact OD1-N 2.75Å; N304-S306 PolarHBondContact O-N 2.98Å; N304-S306 WeakPolarHBondContact OD1-CB 3.27Å; N304-S306 PolarHBondContact OD1-N 2.63Å; N304-S306 VanDerWaalsContact OD1-N 3.16Å; N304-R309 WeakPolarHBondContact ND2-CD 3.45Å; N304-R309 PolarHBondContact ND2-NH1 3.24Å; N304-R309 VanDerWaalsContact ND2-NH1 3.12Å; N304-R309 WeakPolarHBondContact O-CD 3.45Å
305Q90.9Very high89.2Confident11 Ų1163 Ų635%0.05131%0.305CS..  trans-82.920.2179.1-68.2-69.4-5700113.4Y274 V283 R284 D302 H303Y274-Q305 HydrophobicContact CE2-CG 3.82Å; Y274-Q305 WeakPolarHBondContact OH-CB 3.37Å; Y274-Q305 WeakPolarHBondContact OH-CG 3.39Å; V283-Q305 HydrophobicContact CG1-CG 4.12Å; R284-Q305 PolarHBondContact NH1-O 3.44Å; R284-Q305 VanDerWaalsContact NH2-CA 3.26Å; R284-Q305 PolarHBondContact NH2-O 3.47Å; R284-Q305 VanDerWaalsContact NH2-O 3.12Å; D302-Q305 PolarHBondContact O-NE2 2.94Å; H303-Q305 VanDerWaalsContact C-N 3.32Å; H303-Q305 PolarHBondContact O-N 2.97Å
306S92.3Very high89.8Confident45 Ų4561.3 Ų61.332%0.31529%0.293SS..  trans-54.9142.4176.7178.40000112.5R284 N304 S308 R309R284-S306 PolarHBondContact NH2-O 3.39Å; R284-S306 VanDerWaalsContact NH2-O 3.11Å; N304-S306 PolarHBondContact O-N 2.98Å; N304-S306 WeakPolarHBondContact OD1-CB 3.27Å; N304-S306 PolarHBondContact OD1-N 2.63Å; N304-S306 VanDerWaalsContact OD1-N 3.16Å; S306-S308 VanDerWaalsContact C-N 3.25Å; S306-S308 PolarHBondContact O-N 3.34Å; S306-S308 PolarHBondContact OG-N 3.21Å; S306-S308 PolarHBondContact OG-OG 3.07Å; S306-S308 VanDerWaalsContact OG-OG 3.11Å; S306-R309 PolarHBondContact O-N 3Å
307S91.4Very high90Very high36 Ų3655.8 Ų55.825%0.25227%0.272SS..THydrogen-bonded Turntrans-67.4-22.7179.353.50000113.9N236 V238 S239N236-S307 WeakPolarHBondContact CB-O 2.88Å; N236-S307 PolarHBondContact ND2-OG 3.12Å; N236-S307 VanDerWaalsContact ND2-OG 3.14Å; V238-S307 VanDerWaalsContact CB-O 3.29Å; V238-S307 WeakPolarHBondContact CB-O 3.16Å; V238-S307 WeakPolarHBondContact CG2-O 3.26Å; V238-S307 PolarHBondContact N-O 3.46Å; S239-S307 WeakPolarHBondContact OG-CB 3.38Å
308S92.2Very high90.2Very high75 Ų7554.2 Ų54.252%0.52427%0.265SS..THydrogen-bonded Turntrans-88.2-11.3176.757.30000113.1S306 L310S306-S308 VanDerWaalsContact C-N 3.25Å; S306-S308 PolarHBondContact O-N 3.34Å; S306-S308 PolarHBondContact OG-N 3.21Å; S306-S308 PolarHBondContact OG-OG 3.07Å; S306-S308 VanDerWaalsContact OG-OG 3.11Å; S308-L310 VanDerWaalsContact C-N 3.34Å; S308-L310 PolarHBondContact O-N 2.84Å
309R92.2Very high90.3Very high100 Ų10054.2 Ų54.238%0.37727%0.265SS..  trans-83.976.7-176.8-173163.8172.6133.7-9.2111V238 D302 N304 S306 M311 S312V238-R309 VanDerWaalsContact CG2-O 3.24Å; V238-R309 WeakPolarHBondContact CG2-O 3.06Å; D302-R309 IonicContact OD1-CZ 2.77Å; D302-R309 IonicContact OD1-NE 3.64Å; D302-R309 PolarHBondContact OD1-NE 2.85Å; D302-R309 IonicContact OD1-NH2 3.84Å; D302-R309 PolarHBondContact OD1-NH2 3Å; D302-R309 VanDerWaalsContact OD1-NH2 3.15Å; D302-R309 IonicContact OD2-CZ 3.52Å; D302-R309 IonicContact OD2-NE 3.73Å; D302-R309 PolarHBondContact OD2-NE 3.35Å; D302-R309 IonicContact OD2-NH2 3.44Å; D302-R309 PolarHBondContact OD2-NH2 3.01Å; N304-R309 WeakPolarHBondContact ND2-CD 3.45Å; N304-R309 PolarHBondContact ND2-NH1 3.24Å; N304-R309 VanDerWaalsContact ND2-NH1 3.12Å; N304-R309 WeakPolarHBondContact O-CD 3.45Å; S306-R309 PolarHBondContact O-N 3Å; R309-M311 PolarHBondContact O-N 3Å; R309-M311 VanDerWaalsContact O-N 3.09Å; R309-S312 VanDerWaalsContact O-CB 3.3Å; R309-S312 WeakPolarHBondContact O-CB 3.2Å; R309-S312 PolarHBondContact O-N 3.13Å; R309-S312 PolarHBondContact O-OG 3.14Å
310L90.7Very high90.5Very high63 Ų6349.4 Ų49.433%0.3324%0.244SC..G310 helixtrans-52.8-33.6-179.8179.859.6000112.7T134 P237 S308 S312 I313T134-L310 HydrophobicContact CG2-CD2 4.2Å; P237-L310 HydrophobicContact CB-CB 4.21Å; P237-L310 HydrophobicContact CB-CD1 3.66Å; P237-L310 HydrophobicContact CB-CD2 4.39Å; P237-L310 HydrophobicContact CB-CG 4.29Å; S308-L310 VanDerWaalsContact C-N 3.34Å; S308-L310 PolarHBondContact O-N 2.84Å; L310-S312 PolarHBondContact O-N 2.88Å; L310-I313 HydrophobicContact CD1-CD1 3.58Å; L310-I313 HydrophobicContact CD1-CG1 3.87Å; L310-I313 VanDerWaalsContact O-CG1 3.26Å; L310-I313 WeakPolarHBondContact O-CG1 3.29Å; L310-I313 PolarHBondContact O-N 3.15Å; L310-I313 VanDerWaalsContact O-N 3.14Å
311M91.7Very high90.7Very high111 Ų11152 Ų5255%0.54726%0.257SS..G310 helixtrans-57.3-16.6176.1-80-62.5-83.500115R309 R314R309-M311 PolarHBondContact O-N 3Å; R309-M311 VanDerWaalsContact O-N 3.09Å; M311-R314 WeakPolarHBondContact O-CD 3.12Å; M311-R314 WeakPolarHBondContact O-CG 3.47Å; M311-R314 PolarHBondContact O-NH1 3.21Å
312S90.4Very high91.5Very high6 Ų647 Ų474%0.04224%0.235CC..G310 helixtrans-77.1-18.8178.764.50000114.8R284 R309 L310 T316R284-S312 VanDerWaalsContact CZ-OG 3.29Å; R284-S312 PolarHBondContact NE-OG 3.3Å; R284-S312 VanDerWaalsContact NH2-CB 3.28Å; R284-S312 PolarHBondContact NH2-OG 3.01Å; R309-S312 VanDerWaalsContact O-CB 3.3Å; R309-S312 WeakPolarHBondContact O-CB 3.2Å; R309-S312 PolarHBondContact O-N 3.13Å; R309-S312 PolarHBondContact O-OG 3.14Å; L310-S312 PolarHBondContact O-N 2.88Å; S312-T316 PolarHBondContact O-OG1 3.22Å
313I92.8Very high92.3Very high19 Ų1948.1 Ų48.110%0.09724%0.243CC..SBendtrans-86.3-11.2176.466.4165000112.2M138 V238 W241 R284 L310 H315 T316M138-I313 HydrophobicContact SD-CD1 3.94Å; V238-I313 HydrophobicContact CB-CG2 4.34Å; V238-I313 HydrophobicContact CG1-CG2 3.91Å; V238-I313 HydrophobicContact CG2-CG2 4.22Å; W241-I313 HydrophobicContact CB-CD1 4.11Å; W241-I313 HydrophobicContact CD2-CB 4.28Å; W241-I313 HydrophobicContact CD2-CD1 4.17Å; W241-I313 HydrophobicContact CD2-CG2 4.11Å; W241-I313 HydrophobicContact CE3-CB 4.33Å; W241-I313 HydrophobicContact CE3-CG2 3.88Å; W241-I313 HydrophobicContact CG-CD1 3.75Å; W241-I313 HydrophobicContact CG-CG2 4.42Å; W241-I313 HydrophobicContact CZ3-CG2 4.43Å; R284-I313 HydrophobicContact CG-CG2 4.16Å; L310-I313 HydrophobicContact CD1-CD1 3.58Å; L310-I313 HydrophobicContact CD1-CG1 3.87Å; L310-I313 VanDerWaalsContact O-CG1 3.26Å; L310-I313 WeakPolarHBondContact O-CG1 3.29Å; L310-I313 PolarHBondContact O-N 3.15Å; L310-I313 VanDerWaalsContact O-N 3.14Å; I313-H315 PolarHBondContact O-N 3.36Å; I313-T316 WeakPolarHBondContact CA-OG1 3.18Å; I313-T316 WeakPolarHBondContact O-CB 3.02Å; I313-T316 PolarHBondContact O-N 3.35Å; I313-T316 VanDerWaalsContact O-N 3.11Å; I313-T316 PolarHBondContact O-OG1 3.43Å
314R88.7Confident93Very high127 Ų12746.4 Ų46.448%0.47924%0.236SC..THydrogen-bonded Turntrans-62.2130.9177.186.6-171.2-173.3-96.57.4108.8M311 T316M311-R314 WeakPolarHBondContact O-CD 3.12Å; M311-R314 WeakPolarHBondContact O-CG 3.47Å; M311-R314 PolarHBondContact O-NH1 3.21Å; R314-T316 PolarHBondContact O-N 3.16Å; R314-T316 VanDerWaalsContact O-N 3.09Å
315H86.5Confident93.3Very high105 Ų10548.4 Ų48.449%0.48624%0.238SC..THydrogen-bonded Turntrans6110.3-176.4-51.5-57.2000116F286 I313 N317 V347F286-H315 WeakPolarHBondContact CD2-O 3.47Å; I313-H315 PolarHBondContact O-N 3.36Å; H315-N317 PolarHBondContact O-N 3.14Å; H315-V347 HydrophobicContact CB-CG1 3.57Å; H315-V347 WeakPolarHBondContact ND1-CG1 3.39Å
316T94Very high93.5Very high3 Ų350 Ų502%0.01825%0.248CC..  trans-71.8125.1173.5-61.50000109.2W241 R284 S312 I313 R314 M318 L319W241-T316 HydrophobicContact CH2-CG2 3.88Å; W241-T316 HydrophobicContact CZ3-CG2 4.02Å; R284-T316 HydrophobicContact CB-CG2 3.83Å; R284-T316 HydrophobicContact CG-CG2 3.95Å; S312-T316 PolarHBondContact O-OG1 3.22Å; I313-T316 WeakPolarHBondContact CA-OG1 3.18Å; I313-T316 WeakPolarHBondContact O-CB 3.02Å; I313-T316 PolarHBondContact O-N 3.35Å; I313-T316 VanDerWaalsContact O-N 3.11Å; I313-T316 PolarHBondContact O-OG1 3.43Å; R314-T316 PolarHBondContact O-N 3.16Å; R314-T316 VanDerWaalsContact O-N 3.09Å; T316-M318 VanDerWaalsContact CG2-O 3.24Å; T316-M318 WeakPolarHBondContact CG2-O 3.26Å; T316-L319 HydrophobicContact CG2-CD2 4.42Å
317N94.9Very high93.6Very high6 Ų653.3 Ų53.33%0.03227%0.266CS..  trans-120.6-3.9172.6690.4000112.5A285 F286 Y287 H315 V343 R344 V347A285-N317 PolarHBondContact O-N 2.94Å; F286-N317 WeakPolarHBondContact CA-OD1 3.37Å; F286-N317 WeakPolarHBondContact CD2-ND2 3.43Å; F286-N317 WeakPolarHBondContact CE2-ND2 3.28Å; Y287-N317 HydrophobicContact CD1-CB 4.18Å; Y287-N317 WeakPolarHBondContact CD1-ND2 3.4Å; Y287-N317 WeakPolarHBondContact CD1-OD1 3.26Å; Y287-N317 HydrophobicContact CE1-CB 3.94Å; Y287-N317 VanDerWaalsContact CE1-CG 3.4Å; Y287-N317 WeakPolarHBondContact CE1-ND2 3.43Å; Y287-N317 PolarHBondContact N-OD1 3.09Å; Y287-N317 PolarHBondContact O-ND2 2.99Å; H315-N317 PolarHBondContact O-N 3.14Å; N317-V343 WeakPolarHBondContact O-CG2 3.38Å; N317-V343 PolarHBondContact O-N 2.64Å; N317-R344 HydrophobicContact CB-CB 3.97Å; N317-R344 WeakPolarHBondContact CB-O 3.43Å; N317-R344 PolarHBondContact O-N 3.26Å; N317-V347 HydrophobicContact CB-CG2 3.65Å
318M95.7Very high93.7Very high0 Ų059.7 Ų59.70%029%0.292CS..EExtended strand (participates in β ladder)trans-139.9144.1175.8176.2169.6-7500112.6V266 V268 A285 Y287 A298 T316 L320 I341 I342V266-M318 HydrophobicContact CG2-CE 3.5Å; V268-M318 HydrophobicContact CB-SD 4.38Å; V268-M318 HydrophobicContact CG1-CE 3.67Å; V268-M318 HydrophobicContact CG1-SD 3.8Å; V268-M318 HydrophobicContact CG2-SD 3.8Å; A285-M318 PolarHBondContact N-O 2.84Å; A285-M318 PolarHBondContact O-N 2.87Å; A285-M318 VanDerWaalsContact O-N 3.13Å; A285-M318 VanDerWaalsContact O-O 3.11Å; Y287-M318 HydrophobicContact CD1-CB 3.93Å; Y287-M318 HydrophobicContact CD1-CE 3.92Å; Y287-M318 HydrophobicContact CG-CE 3.84Å; A298-M318 HydrophobicContact CB-SD 4.2Å; T316-M318 VanDerWaalsContact CG2-O 3.24Å; T316-M318 WeakPolarHBondContact CG2-O 3.26Å; M318-L320 HydrophobicContact CG-CD2 4.3Å; M318-L320 HydrophobicContact SD-CD2 3.84Å; M318-I341 CarbonylContact C-O 3.54Å; M318-I341 VanDerWaalsContact CA-O 3.24Å; M318-I341 WeakPolarHBondContact CA-O 3.41Å; M318-I342 HydrophobicContact CE-CG1 3.78Å
319L97Very high93.8Very high0 Ų060.7 Ų60.70%029%0.285CS..EExtended strand (participates in β ladder)trans-107.8106.1164.8-66.2177.5000109.3W241 V242 H245 V246 Y282 V283 R284 T316 M321 G340 I341 V343W241-L319 HydrophobicContact CZ3-CD1 4.39Å; W241-L319 HydrophobicContact CZ3-CD2 3.92Å; W241-L319 HydrophobicContact CZ3-CG 4.29Å; V242-L319 HydrophobicContact CG1-CD1 4.25Å; V242-L319 HydrophobicContact CG2-CD1 4.32Å; V242-L319 HydrophobicContact CG2-CD2 4Å; H245-L319 HydrophobicContact CB-CD1 4.25Å; V246-L319 HydrophobicContact CG2-CD1 4.3Å; Y282-L319 HydrophobicContact CD1-CB 4.28Å; V283-L319 CarbonylContact O-C 3.25Å; V283-L319 WeakPolarHBondContact O-CA 3.46Å; R284-L319 HydrophobicContact CG-CD2 4.05Å; T316-L319 HydrophobicContact CG2-CD2 4.42Å; L319-M321 PolarHBondContact O-N 2.72Å; L319-G340 CarbonylContact O-C 3.6Å; L319-G340 VanDerWaalsContact O-CA 3.31Å; L319-G340 WeakPolarHBondContact O-CA 3.13Å; L319-I341 HydrophobicContact CB-CB 4.37Å; L319-I341 PolarHBondContact N-O 3.12Å; L319-I341 PolarHBondContact O-N 2.88Å; L319-V343 HydrophobicContact CD1-CG1 3.9Å; L319-V343 HydrophobicContact CG-CG1 3.97Å; L319-V343 HydrophobicContact CG-CG2 4.46Å
320L97.2Very high93.9Very high0 Ų058.9 Ų58.90%029%0.285CS..EExtended strand (participates in β ladder)trans-66130.8172.7-64.1176000109.6V268 V270 Y282 V283 A285 A298 I300 M318 L322 V338V268-L320 HydrophobicContact CG2-CD2 3.52Å; V270-L320 HydrophobicContact CG1-CD1 3.98Å; Y282-L320 CarbonylContact C-O 3.45Å; Y282-L320 VanDerWaalsContact CA-O 3.27Å; Y282-L320 WeakPolarHBondContact CA-O 3.49Å; V283-L320 HydrophobicContact CB-CB 4.14Å; V283-L320 HydrophobicContact CG1-CD1 4.44Å; V283-L320 PolarHBondContact N-O 2.85Å; V283-L320 PolarHBondContact O-N 2.86Å; A285-L320 HydrophobicContact CB-CD1 3.78Å; A285-L320 HydrophobicContact CB-CD2 4.45Å; A285-L320 HydrophobicContact CB-CG 3.71Å; A298-L320 HydrophobicContact CB-CD1 4.32Å; A298-L320 HydrophobicContact CB-CD2 3.69Å; A298-L320 HydrophobicContact CB-CG 4.41Å; I300-L320 HydrophobicContact CD1-CD1 4.12Å; I300-L320 HydrophobicContact CG1-CD1 3.97Å; M318-L320 HydrophobicContact CG-CD2 4.3Å; M318-L320 HydrophobicContact SD-CD2 3.84Å; L320-L322 HydrophobicContact CB-CD2 3.94Å; L320-L322 HydrophobicContact CB-CG 4.26Å; L320-L322 PolarHBondContact O-N 3.37Å; L320-V338 HydrophobicContact CD2-CG2 3.76Å
321M97.3Very high94.1Very high63 Ų6360.4 Ų60.431%0.3129%0.289SS..EExtended strand (participates in β ladder)trans-94.381.5179.1-61.917765.400109I265 Y282 L319 Q339 I341I265-M321 HydrophobicContact CD1-SD 4.04Å; I265-M321 HydrophobicContact CG1-SD 4.46Å; I265-M321 HydrophobicContact CG2-SD 4.1Å; Y282-M321 HydrophobicContact CD1-CG 4.29Å; Y282-M321 HydrophobicContact CE1-CE 4.49Å; Y282-M321 HydrophobicContact CE1-CG 3.94Å; L319-M321 PolarHBondContact O-N 2.72Å; M321-Q339 HydrophobicContact CB-CB 4.4Å; M321-Q339 PolarHBondContact N-O 3.18Å; M321-I341 HydrophobicContact CG-CD1 4.18Å; M321-I341 HydrophobicContact CG-CG1 3.9Å; M321-I341 HydrophobicContact SD-CD1 3.91Å; M321-I341 HydrophobicContact SD-CG1 3.53Å; M321-I341 VanDerWaalsContact SD-CG1 3.53Å
322L96.8Very high94.3Very high4 Ų455.1 Ų55.12%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-81.8137.4-178.6-56.6-164.5000110.7Y274 L276 P280 E281 V283 L320 I332 V338Y274-L322 HydrophobicContact CD1-CD1 3.28Å; Y274-L322 HydrophobicContact CE1-CD1 3.68Å; Y274-L322 HydrophobicContact CG-CD1 3.95Å; L276-L322 HydrophobicContact CD2-CB 3.91Å; L276-L322 HydrophobicContact CD2-CD1 4.23Å; P280-L322 CarbonylContact C-O 3.57Å; P280-L322 WeakPolarHBondContact CA-O 3.31Å; E281-L322 HydrophobicContact CB-CB 4.48Å; E281-L322 PolarHBondContact N-O 2.68Å; E281-L322 PolarHBondContact O-N 3.44Å; V283-L322 HydrophobicContact CB-CD1 4.24Å; V283-L322 HydrophobicContact CB-CG 4.42Å; V283-L322 HydrophobicContact CG2-CD1 3.55Å; V283-L322 HydrophobicContact CG2-CG 3.96Å; L320-L322 HydrophobicContact CB-CD2 3.94Å; L320-L322 HydrophobicContact CB-CG 4.26Å; L320-L322 PolarHBondContact O-N 3.37Å; L322-I332 HydrophobicContact CD1-CG1 4.28Å; L322-I332 HydrophobicContact CD2-CG1 4.16Å; L322-V338 HydrophobicContact CD2-CB 4.31Å; L322-V338 HydrophobicContact CD2-CG1 4.22Å; L322-V338 HydrophobicContact CD2-CG2 4.23Å
323P96.4Very high94.6Very high46 Ų4658.5 Ų58.530%0.29928%0.281SS..PPolyproline II helixtrans-67.4165.9177.531.4-36000110.7L276 I332L276-P323 HydrophobicContact CD1-CG 4.09Å; L276-P323 HydrophobicContact CD2-CG 4.38Å; L276-P323 WeakPolarHBondContact CD2-O 3.29Å; P323-I332 HydrophobicContact CG-CD1 4.34Å
324Q95.5Very high94.7Very high82 Ų8260.2 Ų60.238%0.38330%0.297SS..PPolyproline II helixtrans-66.3152.2168.969.6-177.59.400111.3D277 P280 T326D277-Q324 CarbonylContact O-C 3.49Å; P280-Q324 HydrophobicContact CG-CB 4.34Å; Q324-T326 HydrophobicContact CG-CG2 4.49Å
325W95.7Very high94.9Very high115 Ų11556.6 Ų56.644%0.43630%0.3SS..PPolyproline II helixtrans-56.9139.8166.8-179.7100000110.8L276 D277 V327 T330L276-W325 HydrophobicContact CB-CB 3.9Å; D277-W325 VanDerWaalsContact O-CB 3.3Å; D277-W325 WeakPolarHBondContact O-CB 3.49Å; D277-W325 PolarHBondContact O-N 3.07Å; W325-V327 HydrophobicContact CH2-CG2 3.83Å; W325-V327 HydrophobicContact CZ3-CG2 4.17Å; W325-T330 HydrophobicContact CZ2-CG2 4.21Å
326T94.8Very high95.3Very high43 Ų4354 Ų5426%0.26429%0.288SS..  trans-136.7165.6169.955.80000108.7Q324 E328 R329Q324-T326 HydrophobicContact CG-CG2 4.49Å; T326-E328 PolarHBondContact O-N 2.84Å; T326-R329 PolarHBondContact N-O 2.79Å; T326-R329 CarbonylContact O-C 3.26Å; T326-R329 VanDerWaalsContact O-C 3.26Å; T326-R329 PolarHBondContact O-N 3.23Å; T326-R329 VanDerWaalsContact O-O 3.09Å; T326-R329 WeakPolarHBondContact OG1-CB 3.36Å; T326-R329 PolarHBondContact OG1-N 2.95Å; T326-R329 PolarHBondContact OG1-O 3.44Å
327V93.1Very high95.4Very high115 Ų11559.3 Ų59.370%0.69732%0.315SS*.SBendtrans-61.6-34176.6-178.20000110.6W325W325-V327 HydrophobicContact CH2-CG2 3.83Å; W325-V327 HydrophobicContact CZ3-CG2 4.17Å
328E93.6Very high95.5Very high171 Ų17159.5 Ų59.580%0.79932%0.316SS*.SBendtrans-81-25.2178.1-54.684.5-174.700113.6T326T326-E328 PolarHBondContact O-N 2.84Å
329R94.1Very high95.5Very high95 Ų9563.4 Ų63.436%0.35834%0.335SS..  trans-13698.3-176.7-167.3178.4-177.4-171.2-2.1110.6L276 T326 I332 E336L276-R329 HydrophobicContact CD1-CG 4.03Å; T326-R329 PolarHBondContact N-O 2.79Å; T326-R329 CarbonylContact O-C 3.26Å; T326-R329 VanDerWaalsContact O-C 3.26Å; T326-R329 PolarHBondContact O-N 3.23Å; T326-R329 VanDerWaalsContact O-O 3.09Å; T326-R329 WeakPolarHBondContact OG1-CB 3.36Å; T326-R329 PolarHBondContact OG1-N 2.95Å; T326-R329 PolarHBondContact OG1-O 3.44Å; R329-I332 VanDerWaalsContact NH2-CD1 3.27Å; R329-E336 IonicContact CZ-OE1 3.36Å; R329-E336 IonicContact NE-OE1 3.15Å; R329-E336 IonicContact NH2-OE1 3.21Å; R329-E336 PolarHBondContact NH2-OE1 2.91Å
330T95.4Very high95.5Very high63 Ų6363.4 Ų63.439%0.38734%0.335SS..  trans-97.5-20.3-175.5610000114L276 W325L276-T330 WeakPolarHBondContact CB-O 3.46Å; L276-T330 PolarHBondContact N-O 2.91Å; W325-T330 HydrophobicContact CZ2-CG2 4.21Å
331K95.6Very high95.5Very high95 Ų9564.2 Ų64.241%0.41334%0.339SS..EExtended strand (participates in β ladder)trans-149.2161.2-178.561.6-178.9166.6-173.80111.2Y274Y274-K331 CarbonylContact O-C 3.56Å; Y274-K331 VanDerWaalsContact O-CA 3.24Å; Y274-K331 WeakPolarHBondContact O-CA 3.13Å; Y274-K331 WeakPolarHBondContact O-CB 3.11Å
332I96Very high95.4Very high0 Ų062.2 Ų62.20%033%0.329CS..EExtended strand (participates in β ladder)trans-91.2137.3160.6-56.2-58.2000107.7V270 S273 Y274 L276 L322 P323 R329 E336 V338V270-I332 HydrophobicContact CG1-CG2 4.46Å; V270-I332 HydrophobicContact CG2-CG2 3.49Å; V270-I332 VanDerWaalsContact CG2-CG2 3.49Å; S273-I332 CarbonylContact C-O 3.51Å; S273-I332 WeakPolarHBondContact CA-O 3.42Å; S273-I332 WeakPolarHBondContact CB-O 3.49Å; Y274-I332 PolarHBondContact N-O 3.32Å; Y274-I332 PolarHBondContact O-N 3.2Å; L276-I332 HydrophobicContact CD1-CD1 4.4Å; L276-I332 HydrophobicContact CD2-CD1 4.09Å; L276-I332 HydrophobicContact CD2-CG1 3.74Å; L276-I332 HydrophobicContact CG-CG1 4.42Å; L322-I332 HydrophobicContact CD1-CG1 4.28Å; L322-I332 HydrophobicContact CD2-CG1 4.16Å; P323-I332 HydrophobicContact CG-CD1 4.34Å; R329-I332 VanDerWaalsContact NH2-CD1 3.27Å; I332-E336 WeakPolarHBondContact CA-OE2 3.46Å; I332-E336 HydrophobicContact CG2-CB 3.92Å; I332-E336 HydrophobicContact CG2-CG 4.28Å; I332-V338 HydrophobicContact CD1-CG1 4.32Å; I332-V338 HydrophobicContact CG2-CG1 3.95Å
333N95.9Very high95.3Very high77 Ų7762.3 Ų62.341%0.41233%0.33SS..PPolyproline II helixtrans-94.6148.1175.9-59.8-64.9000110.9V270 G335 E336V270-N333 VanDerWaalsContact CG2-O 3.25Å; V270-N333 WeakPolarHBondContact CG2-O 3.47Å; N333-G335 PolarHBondContact O-N 3.04Å; N333-E336 PolarHBondContact N-OE2 3.1Å; N333-E336 WeakPolarHBondContact O-CB 3.41Å; N333-E336 PolarHBondContact O-N 3.23Å
334A94.4Very high95Very high54 Ų5463.3 Ų63.345%0.44633%0.328SS..THydrogen-bonded Turntrans-53.4137.616900000110.8S273 E336S273-A334 PolarHBondContact OG-N 3.43Å; A334-E336 VanDerWaalsContact C-N 3.32Å
335G93.7Very high94.5Very high52 Ų5265.2 Ų65.254%0.53634%0.34SS..THydrogen-bonded Turntrans85.8-4.9-174.400000114.8V270 N333V270-G335 PolarHBondContact O-N 2.98Å; N333-G335 PolarHBondContact O-N 3.04Å
336E95.1Very high93.2Very high50 Ų5067.6 Ų67.623%0.23436%0.355CS..  trans-76.4143.6176.1-168.3173165.900111.6T269 V270 R329 I332 N333 A334T269-E336 WeakPolarHBondContact CA-O 3.11Å; V270-E336 HydrophobicContact CG2-CB 4.16Å; V270-E336 WeakPolarHBondContact CG2-O 3.24Å; V270-E336 PolarHBondContact N-O 2.95Å; R329-E336 IonicContact CZ-OE1 3.36Å; R329-E336 IonicContact NE-OE1 3.15Å; R329-E336 IonicContact NH2-OE1 3.21Å; R329-E336 PolarHBondContact NH2-OE1 2.91Å; I332-E336 WeakPolarHBondContact CA-OE2 3.46Å; I332-E336 HydrophobicContact CG2-CB 3.92Å; I332-E336 HydrophobicContact CG2-CG 4.28Å; N333-E336 PolarHBondContact N-OE2 3.1Å; N333-E336 WeakPolarHBondContact O-CB 3.41Å; N333-E336 PolarHBondContact O-N 3.23Å; A334-E336 VanDerWaalsContact C-N 3.32Å
337I95.4Very high91.4Very high114 Ų11470.9 Ų70.959%0.58538%0.375SS*.EExtended strand (participates in β ladder)trans-89126.6176.2-60.6174.1000109.3V268V268-I337 CarbonylContact O-C 3.51Å; V268-I337 WeakPolarHBondContact O-CA 3.31Å
338V96.2Very high91.4Very high10 Ų1068.7 Ų68.76%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-130165.4176.4-55.80000110.4S267 V268 V270 L320 L322 I332S267-V338 WeakPolarHBondContact CA-O 3.24Å; V268-V338 HydrophobicContact CG2-CG2 4.01Å; V268-V338 PolarHBondContact N-O 3.14Å; V268-V338 PolarHBondContact O-N 2.77Å; V270-V338 HydrophobicContact CG1-CG1 4.33Å; V270-V338 HydrophobicContact CG1-CG2 3.58Å; L320-V338 HydrophobicContact CD2-CG2 3.76Å; L322-V338 HydrophobicContact CD2-CB 4.31Å; L322-V338 HydrophobicContact CD2-CG1 4.22Å; L322-V338 HydrophobicContact CD2-CG2 4.23Å; I332-V338 HydrophobicContact CD1-CG1 4.32Å; I332-V338 HydrophobicContact CG2-CG1 3.95Å
339Q96.9Very high91.2Very high83 Ų8363.3 Ų63.339%0.38834%0.336SS..EExtended strand (participates in β ladder)trans-84.8145.9172.1-61.4-58.4-47.400110.4I265 V266 S267 M321I265-Q339 HydrophobicContact CG2-CB 3.94Å; I265-Q339 HydrophobicContact CG2-CG 4.42Å; V266-Q339 CarbonylContact O-C 3.6Å; V266-Q339 WeakPolarHBondContact O-CA 3.4Å; S267-Q339 PolarHBondContact OG-NE2 2.94Å; M321-Q339 HydrophobicContact CB-CB 4.4Å; M321-Q339 PolarHBondContact N-O 3.18Å
340G96.4Very high91.1Very high0 Ų061.6 Ų61.60%034%0.335CS..EExtended strand (participates in β ladder)trans-143.9141.2173.200000112I265 V266 L319I265-G340 WeakPolarHBondContact CA-O 3.25Å; V266-G340 PolarHBondContact N-O 3.12Å; V266-G340 PolarHBondContact O-N 3.45Å; L319-G340 CarbonylContact O-C 3.6Å; L319-G340 VanDerWaalsContact O-CA 3.31Å; L319-G340 WeakPolarHBondContact O-CA 3.13Å
341I96.3Very high90.8Very high17 Ų1761.5 Ų61.59%0.08733%0.332CS..EExtended strand (participates in β ladder)trans-85.1122.4174.5-54176.8000107.9V246 F263 I265 Y282 M318 L319 M321 V343V246-I341 HydrophobicContact CG2-CD1 4.32Å; F263-I341 HydrophobicContact CB-CG2 3.49Å; F263-I341 VanDerWaalsContact CB-CG2 3.49Å; F263-I341 HydrophobicContact CG-CG2 4.34Å; I265-I341 HydrophobicContact CG1-CG1 4.24Å; Y282-I341 HydrophobicContact CD1-CD1 4.2Å; Y282-I341 HydrophobicContact CE1-CD1 3.75Å; M318-I341 CarbonylContact C-O 3.54Å; M318-I341 VanDerWaalsContact CA-O 3.24Å; M318-I341 WeakPolarHBondContact CA-O 3.41Å; L319-I341 HydrophobicContact CB-CB 4.37Å; L319-I341 PolarHBondContact N-O 3.12Å; L319-I341 PolarHBondContact O-N 2.88Å; M321-I341 HydrophobicContact CG-CD1 4.18Å; M321-I341 HydrophobicContact CG-CG1 3.9Å; M321-I341 HydrophobicContact SD-CD1 3.91Å; M321-I341 HydrophobicContact SD-CG1 3.53Å; M321-I341 VanDerWaalsContact SD-CG1 3.53Å; I341-V343 HydrophobicContact CG2-CG1 4.03Å; I341-V343 PolarHBondContact O-N 3.11Å
342I95.3Very high90.5Very high21 Ų2159.4 Ų59.411%0.10833%0.327CS..EExtended strand (participates in β ladder)trans-75.7116169.6-63.4178.3000108.1F263 P264 V266 Y287 M318 R344 L345F263-I342 WeakPolarHBondContact CD1-O 3.49Å; P264-I342 HydrophobicContact CG-CB 4.14Å; P264-I342 HydrophobicContact CG-CD1 4.28Å; P264-I342 PolarHBondContact O-N 3.44Å; V266-I342 HydrophobicContact CG1-CD1 4Å; V266-I342 HydrophobicContact CG2-CD1 3.9Å; V266-I342 HydrophobicContact CG2-CG1 3.92Å; Y287-I342 HydrophobicContact CD1-CG1 4.45Å; Y287-I342 HydrophobicContact CE1-CD1 4.44Å; Y287-I342 HydrophobicContact CE1-CG1 4.15Å; Y287-I342 HydrophobicContact CE1-CG2 3.87Å; Y287-I342 HydrophobicContact CE2-CD1 4.47Å; M318-I342 HydrophobicContact CE-CG1 3.78Å; I342-R344 WeakPolarHBondContact CG2-O 3.13Å; I342-L345 HydrophobicContact CG2-CD2 4.04Å
343V95Very high90.2Very high6 Ų663.3 Ų63.34%0.03635%0.348CS..  trans-105.3-18.6-179.4-67.40000112.5W241 H245 N317 L319 I341W241-V343 HydrophobicContact CH2-CB 4.36Å; W241-V343 HydrophobicContact CH2-CG2 3.66Å; W241-V343 HydrophobicContact CZ2-CG2 4.48Å; W241-V343 HydrophobicContact CZ3-CG2 4.39Å; H245-V343 HydrophobicContact CB-CG1 4.04Å; N317-V343 WeakPolarHBondContact O-CG2 3.38Å; N317-V343 PolarHBondContact O-N 2.64Å; L319-V343 HydrophobicContact CD1-CG1 3.9Å; L319-V343 HydrophobicContact CG-CG1 3.97Å; L319-V343 HydrophobicContact CG-CG2 4.46Å; I341-V343 HydrophobicContact CG2-CG1 4.03Å; I341-V343 PolarHBondContact O-N 3.11Å
344R91.4Very high89.7Confident67 Ų6762.4 Ų62.425%0.25334%0.344SS..  trans-145.2144.6172.3-62.1-177.5171.1166.3-9.7110.5E145 Y287 N317 I342E145-R344 IonicContact OE1-NH2 3.13Å; E145-R344 PolarHBondContact OE1-NH2 3.44Å; E145-R344 IonicContact OE2-CZ 3.29Å; E145-R344 IonicContact OE2-NE 2.97Å; E145-R344 PolarHBondContact OE2-NE 3.46Å; E145-R344 IonicContact OE2-NH2 2.96Å; E145-R344 PolarHBondContact OE2-NH2 2.85Å; Y287-R344 WeakPolarHBondContact CE1-O 3.3Å; Y287-R344 PolarHBondContact OH-O 3.15Å; N317-R344 HydrophobicContact CB-CB 3.97Å; N317-R344 WeakPolarHBondContact CB-O 3.43Å; N317-R344 PolarHBondContact O-N 3.26Å; I342-R344 WeakPolarHBondContact CG2-O 3.13Å
345L83.6Confident89.4Confident121 Ų12163 Ų6363%0.63434%0.336SS*.SBendtrans-89.9-25.8173.4-68.5175.1000112.8I342I342-L345 HydrophobicContact CG2-CD2 4.04Å
346H68.5Low89Confident166 Ų16663.9 Ų63.977%0.76932%0.319SS*.  trans-133.2144.5-177.6-54.6-54.3000109.7
347V58.2Low88.5Confident112 Ų11265.2 Ų65.268%0.67933%0.327SS*.  trans-123.50176.8175.90000109.7F286 H315 N317F286-V347 HydrophobicContact CD2-CG2 4.16Å; F286-V347 HydrophobicContact CE2-CB 4.19Å; F286-V347 HydrophobicContact CE2-CG2 3.88Å; H315-V347 HydrophobicContact CB-CG1 3.57Å; H315-V347 WeakPolarHBondContact ND1-CG1 3.39Å; N317-V347 HydrophobicContact CB-CG2 3.65Å

Retrieved 347 of 347 residues in 247.4 ms (Link to these results)

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