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Nicotinate phosphoribosyltransferase

Catalyzes the first step in the biosynthesis of NAD from nicotinic acid, the ATP-dependent synthesis of beta-nicotinate D-ribonucleotide from nicotinate and 5-phospho-D-ribose 1-phosphate. Helps prevent cellular oxidative stress via its role in NAD biosynthesis.

AlphaFold DB , UniProt , Accession A0A077YY69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 535 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
1M93.2Very high97Very high67 Ų6780.1 Ų80.133%0.3339%0.387SS..  0-68.60-16151.871.600113M3 C4 Y5 F50 L58 L62 F69 L73 L110M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.38Å; M1-C4 WeakPolarHBondContact O-CA 3.35Å; M1-C4 VanDerWaalsContact O-CB 3.32Å; M1-C4 WeakPolarHBondContact O-CB 3.36Å; M1-C4 PolarHBondContact O-N 3.25Å; M1-Y5 PolarHBondContact O-N 2.97Å; M1-F50 HydrophobicContact CE-CE1 3.62Å; M1-F50 HydrophobicContact CE-CZ 3.83Å; M1-L58 HydrophobicContact CE-CD1 3.67Å; M1-L58 HydrophobicContact CE-CD2 4.03Å; M1-L58 HydrophobicContact CG-CD2 4.13Å; M1-L58 HydrophobicContact SD-CD1 4.44Å; M1-L62 HydrophobicContact CB-CD1 4.39Å; M1-L62 HydrophobicContact CG-CD1 3.69Å; M1-F69 HydrophobicContact SD-CE1 4.07Å; M1-F69 HydrophobicContact SD-CZ 4.15Å; M1-L73 HydrophobicContact CE-CD1 4.07Å; M1-L73 HydrophobicContact SD-CD1 3.79Å; M1-L73 HydrophobicContact SD-CD2 4.34Å; M1-L110 HydrophobicContact CE-CD2 4.17Å; M1-L110 HydrophobicContact SD-CD2 4.36Å
2R95.4Very high97Very high180 Ų18079.9 Ų79.968%0.67938%0.383SS*.Hα-helixtrans-51-42.7-179.3-71.7-177.9176.5149.60.2115.1C4 Y5 S6 L62R2-C4 VanDerWaalsContact C-N 3.34Å; R2-C4 PolarHBondContact O-N 3.23Å; R2-Y5 PolarHBondContact O-N 3.43Å; R2-S6 PolarHBondContact O-N 2.74Å; R2-L62 HydrophobicContact CG-CD2 4.21Å
3M96.4Very high97.1Very high104 Ų10475.9 Ų75.951%0.51236%0.363SS..Hα-helixtrans-61.2-40.9175.3-66.3-170.6-67.800112.5M1 S6 Y7 Q109M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.38Å; M3-S6 PolarHBondContact O-N 3.24Å; M3-Y7 VanDerWaalsContact O-CD2 3.3Å; M3-Y7 WeakPolarHBondContact O-CD2 3.5Å; M3-Y7 PolarHBondContact O-N 3.48Å; M3-Q109 HydrophobicContact CB-CG 4.27Å; M3-Q109 HydrophobicContact CE-CG 4.31Å; M3-Q109 VanDerWaalsContact CE-NE2 3.29Å
4C96.9Very high97.1Very high0 Ų078.1 Ų78.10%037%0.373CS..Hα-helixtrans-64.5-43.4176.7-175.40000111.1M1 R2 S6 Y7 W8 F69 L110M1-C4 WeakPolarHBondContact O-CA 3.35Å; M1-C4 VanDerWaalsContact O-CB 3.32Å; M1-C4 WeakPolarHBondContact O-CB 3.36Å; M1-C4 PolarHBondContact O-N 3.25Å; R2-C4 VanDerWaalsContact C-N 3.34Å; R2-C4 PolarHBondContact O-N 3.23Å; C4-S6 PolarHBondContact O-N 2.76Å; C4-Y7 PolarHBondContact O-N 2.7Å; C4-W8 WeakPolarHBondContact O-CB 3.45Å; C4-W8 PolarHBondContact O-N 3.36Å; C4-F69 HydrophobicContact CB-CZ 4.45Å; C4-L110 HydrophobicContact CB-CD2 3.91Å; C4-L110 HydrophobicContact CB-CG 4.09Å
5Y97.5Very high97.2Very high30 Ų3075 Ų7512%0.11836%0.359CS..Hα-helixtrans-61.6-42.7174.2179-127.1000112.6M1 R2 W8 L9 E64 V65 Q66 F69M1-Y5 PolarHBondContact O-N 2.97Å; R2-Y5 PolarHBondContact O-N 3.43Å; Y5-W8 HydrophobicContact CD2-CE3 4.18Å; Y5-W8 AromaticContact CE2-CE3 3.97Å; Y5-W8 HydrophobicContact CE2-CE3 3.97Å; Y5-W8 HydrophobicContact CE2-CZ3 4.24Å; Y5-W8 WeakPolarHBondContact O-CA 3.45Å; Y5-W8 WeakPolarHBondContact O-CB 3.43Å; Y5-W8 PolarHBondContact O-N 3.43Å; Y5-L9 HydrophobicContact CD1-CD1 4.14Å; Y5-L9 HydrophobicContact CD2-CG 4.32Å; Y5-L9 HydrophobicContact CE1-CD1 3.63Å; Y5-L9 HydrophobicContact CE1-CG 4.32Å; Y5-L9 HydrophobicContact CE2-CD1 4.1Å; Y5-L9 HydrophobicContact CE2-CD2 4.1Å; Y5-L9 HydrophobicContact CE2-CG 3.88Å; Y5-L9 PolarHBondContact O-N 2.9Å; Y5-E64 PolarHBondContact OH-O 3.33Å; Y5-V65 HydrophobicContact CD1-CG1 3.78Å; Y5-V65 HydrophobicContact CD2-CB 4.46Å; Y5-V65 HydrophobicContact CD2-CG1 3.97Å; Y5-V65 HydrophobicContact CE1-CG1 3.92Å; Y5-V65 HydrophobicContact CE2-CB 4.26Å; Y5-V65 HydrophobicContact CE2-CG1 4.14Å; Y5-V65 HydrophobicContact CG-CG1 3.78Å; Y5-Q66 PolarHBondContact OH-N 3.43Å; Y5-F69 HydrophobicContact CD2-CB 3.94Å; Y5-F69 AromaticContact CD2-CD1 3.62Å; Y5-F69 HydrophobicContact CD2-CD1 3.62Å; Y5-F69 AromaticContact CD2-CD2 3.88Å; Y5-F69 HydrophobicContact CD2-CD2 3.88Å; Y5-F69 HydrophobicContact CD2-CE1 4.04Å; Y5-F69 HydrophobicContact CD2-CE2 4.28Å; Y5-F69 AromaticContact CD2-CG 3.52Å; Y5-F69 HydrophobicContact CD2-CG 3.52Å; Y5-F69 HydrophobicContact CD2-CZ 4.35Å; Y5-F69 HydrophobicContact CE2-CB 3.99Å; Y5-F69 HydrophobicContact CE2-CD1 4.33Å; Y5-F69 HydrophobicContact CE2-CG 4.1Å; Y5-F69 HydrophobicContact CG-CD1 4.28Å; Y5-F69 HydrophobicContact CG-CE1 4.3Å
6S97.8Very high97.3Very high73 Ų7375.4 Ų75.451%0.5136%0.359SS..Hα-helixtrans-63.6-41.8175.9179.70000112.1R2 M3 C4 W8 L9 A10R2-S6 PolarHBondContact O-N 2.74Å; M3-S6 PolarHBondContact O-N 3.24Å; C4-S6 PolarHBondContact O-N 2.76Å; S6-W8 PolarHBondContact O-N 2.86Å; S6-L9 PolarHBondContact O-N 3.4Å; S6-A10 VanDerWaalsContact O-CB 3.27Å; S6-A10 WeakPolarHBondContact O-CB 3.44Å; S6-A10 PolarHBondContact O-N 2.79Å
7Y98Very high97.4Very high64 Ų6471 Ų7125%0.25134%0.338SS..Hα-helixtrans-62.6-33.4170.6-68.4-36.6000112.4M3 C4 K11 K12 H13 L105 Q109M3-Y7 VanDerWaalsContact O-CD2 3.3Å; M3-Y7 WeakPolarHBondContact O-CD2 3.5Å; M3-Y7 PolarHBondContact O-N 3.48Å; C4-Y7 PolarHBondContact O-N 2.7Å; Y7-K11 PolarHBondContact O-N 3.01Å; Y7-K11 VanDerWaalsContact O-N 3.15Å; Y7-K12 HydrophobicContact CD1-CB 4.39Å; Y7-K12 PolarHBondContact O-N 3.32Å; Y7-H13 PolarHBondContact O-N 3.01Å; Y7-H13 VanDerWaalsContact O-N 3.15Å; Y7-L105 HydrophobicContact CD1-CD2 4.02Å; Y7-L105 HydrophobicContact CD2-CD2 4.04Å; Y7-L105 HydrophobicContact CD2-CG 3.97Å; Y7-L105 HydrophobicContact CE1-CD2 4.06Å; Y7-L105 HydrophobicContact CE2-CD1 4.18Å; Y7-L105 HydrophobicContact CE2-CD2 4.07Å; Y7-L105 HydrophobicContact CE2-CG 3.99Å; Y7-L105 HydrophobicContact CG-CD2 4.02Å; Y7-L105 HydrophobicContact CG-CG 4.4Å; Y7-Q109 HydrophobicContact CD2-CG 4.45Å; Y7-Q109 HydrophobicContact CE2-CB 4.32Å; Y7-Q109 HydrophobicContact CE2-CG 4.01Å
8W98.1Very high97.5Very high45 Ų4567.1 Ų67.117%0.1732%0.319CS..Hα-helixtrans-65.7-52.2176.3-175.488.9000111.9C4 Y5 S6 A10 K11 H13 Q66 E68 F69 Y72C4-W8 WeakPolarHBondContact O-CB 3.45Å; C4-W8 PolarHBondContact O-N 3.36Å; Y5-W8 HydrophobicContact CD2-CE3 4.18Å; Y5-W8 AromaticContact CE2-CE3 3.97Å; Y5-W8 HydrophobicContact CE2-CE3 3.97Å; Y5-W8 HydrophobicContact CE2-CZ3 4.24Å; Y5-W8 WeakPolarHBondContact O-CA 3.45Å; Y5-W8 WeakPolarHBondContact O-CB 3.43Å; Y5-W8 PolarHBondContact O-N 3.43Å; S6-W8 PolarHBondContact O-N 2.86Å; W8-A10 VanDerWaalsContact C-N 3.3Å; W8-A10 PolarHBondContact O-N 2.88Å; W8-K11 WeakPolarHBondContact O-CA 3.31Å; W8-K11 PolarHBondContact O-N 2.96Å; W8-H13 WeakPolarHBondContact CA-ND1 3.44Å; W8-H13 HydrophobicContact CB-CB 4.43Å; W8-H13 AromaticContact CD1-CD2 3.66Å; W8-H13 AromaticContact CD1-CE1 3.53Å; W8-H13 AromaticContact CD1-CG 3.86Å; W8-H13 AromaticContact CD1-ND1 3.8Å; W8-H13 AromaticContact CD1-NE2 3.43Å; W8-H13 AromaticContact NE1-NE2 3.85Å; W8-Q66 HydrophobicContact CH2-CB 4.44Å; W8-Q66 HydrophobicContact CZ3-CB 4.29Å; W8-E68 HydrophobicContact CH2-CB 3.79Å; W8-E68 HydrophobicContact CZ2-CB 3.81Å; W8-F69 HydrophobicContact CB-CD2 3.63Å; W8-F69 HydrophobicContact CB-CE2 3.77Å; W8-F69 AromaticContact CD1-CD2 3.87Å; W8-F69 HydrophobicContact CD2-CB 4.07Å; W8-F69 AromaticContact CD2-CD2 3.76Å; W8-F69 HydrophobicContact CD2-CD2 3.76Å; W8-F69 HydrophobicContact CD2-CG 4.36Å; W8-F69 HydrophobicContact CE3-CB 4.01Å; W8-F69 HydrophobicContact CE3-CD2 4.24Å; W8-F69 HydrophobicContact CE3-CG 4.49Å; W8-F69 AromaticContact CG-CD2 3.46Å; W8-F69 HydrophobicContact CG-CD2 3.46Å; W8-F69 VanDerWaalsContact CG-CD2 3.46Å; W8-F69 HydrophobicContact CG-CE2 4.07Å; W8-F69 HydrophobicContact CG-CG 4.47Å; W8-F69 HydrophobicContact CH2-CB 4.41Å; W8-F69 HydrophobicContact CZ2-CB 4.45Å; W8-F69 HydrophobicContact CZ3-CB 4.19Å; W8-Y72 AromaticContact CD1-CD1 3.69Å; W8-Y72 AromaticContact CD1-CG 3.82Å; W8-Y72 HydrophobicContact CG-CD1 4.5Å; W8-Y72 AromaticContact NE1-CG 3.91Å
9L97.8Very high97.5Very high85 Ų8563.9 Ų63.945%0.44530%0.304SS..Hα-helixtrans-58.1-41.1174.6-72.3175.4000112.4Y5 S6 K11Y5-L9 HydrophobicContact CD1-CD1 4.14Å; Y5-L9 HydrophobicContact CD2-CG 4.32Å; Y5-L9 HydrophobicContact CE1-CD1 3.63Å; Y5-L9 HydrophobicContact CE1-CG 4.32Å; Y5-L9 HydrophobicContact CE2-CD1 4.1Å; Y5-L9 HydrophobicContact CE2-CD2 4.1Å; Y5-L9 HydrophobicContact CE2-CG 3.88Å; Y5-L9 PolarHBondContact O-N 2.9Å; S6-L9 PolarHBondContact O-N 3.4Å; L9-K11 PolarHBondContact O-N 3.13Å
10A97.8Very high97.6Very high58 Ų5860.9 Ų60.948%0.47929%0.29SS..THydrogen-bonded Turntrans-74.80.5176.800000113.6S6 W8 K12S6-A10 VanDerWaalsContact O-CB 3.27Å; S6-A10 WeakPolarHBondContact O-CB 3.44Å; S6-A10 PolarHBondContact O-N 2.79Å; W8-A10 VanDerWaalsContact C-N 3.3Å; W8-A10 PolarHBondContact O-N 2.88Å; A10-K12 HydrophobicContact CB-CD 4.42Å; A10-K12 HydrophobicContact CB-CG 4.08Å; A10-K12 WeakPolarHBondContact O-CG 3.4Å; A10-K12 PolarHBondContact O-N 3.26Å
11K97.7Very high97.6Very high175 Ų17558 Ų5876%0.76128%0.276SS*.THydrogen-bonded Turntrans55.130.3-176.3-57.5-179.1178.9-179.50113.8Y7 W8 L9Y7-K11 PolarHBondContact O-N 3.01Å; Y7-K11 VanDerWaalsContact O-N 3.15Å; W8-K11 WeakPolarHBondContact O-CA 3.31Å; W8-K11 PolarHBondContact O-N 2.96Å; L9-K11 PolarHBondContact O-N 3.13Å
12K98.1Very high97.8Very high78 Ų7855.1 Ų55.134%0.33926%0.262SS..  trans-101.5-10.9177.2-59.8-168.367.454.80113.7Y7 A10 E14 D15 L105Y7-K12 HydrophobicContact CD1-CB 4.39Å; Y7-K12 PolarHBondContact O-N 3.32Å; A10-K12 HydrophobicContact CB-CD 4.42Å; A10-K12 HydrophobicContact CB-CG 4.08Å; A10-K12 WeakPolarHBondContact O-CG 3.4Å; A10-K12 PolarHBondContact O-N 3.26Å; K12-E14 PolarHBondContact O-N 3.36Å; K12-E14 VanDerWaalsContact O-N 3.14Å; K12-D15 WeakPolarHBondContact CB-OD2 3.49Å; K12-D15 WeakPolarHBondContact CE-OD2 3.42Å; K12-D15 IonicContact NZ-OD2 2.86Å; K12-D15 PolarHBondContact NZ-OD2 3.34Å; K12-D15 VanDerWaalsContact O-CB 3.25Å; K12-D15 WeakPolarHBondContact O-CB 3.38Å; K12-D15 PolarHBondContact O-N 2.85Å; K12-L105 HydrophobicContact CB-CD2 4.22Å
13H97.6Very high97.9Very high28 Ų2846.5 Ų46.513%0.1323%0.229CC..THydrogen-bonded Turntrans-57.2-27.6-175.959-73.3000114.2Y7 W8 Y72 L105 G106Y7-H13 PolarHBondContact O-N 3.01Å; Y7-H13 VanDerWaalsContact O-N 3.15Å; W8-H13 WeakPolarHBondContact CA-ND1 3.44Å; W8-H13 HydrophobicContact CB-CB 4.43Å; W8-H13 AromaticContact CD1-CD2 3.66Å; W8-H13 AromaticContact CD1-CE1 3.53Å; W8-H13 AromaticContact CD1-CG 3.86Å; W8-H13 AromaticContact CD1-ND1 3.8Å; W8-H13 AromaticContact CD1-NE2 3.43Å; W8-H13 AromaticContact NE1-NE2 3.85Å; H13-Y72 AromaticContact CD2-CE2 3.57Å; H13-Y72 AromaticContact CD2-CZ 3.54Å; H13-L105 PolarHBondContact O-N 2.87Å; H13-G106 PolarHBondContact O-N 2.78Å
14E97.9Very high97.8Very high107 Ų10744.7 Ų44.750%0.522%0.217SC..THydrogen-bonded Turntrans-94-0.3175.7-63.1-53.8134.900114K12 F16 Y72K12-E14 PolarHBondContact O-N 3.36Å; K12-E14 VanDerWaalsContact O-N 3.14Å; E14-F16 PolarHBondContact O-N 3Å; E14-Y72 WeakPolarHBondContact OE1-CE2 3.21Å; E14-Y72 PolarHBondContact OE1-OH 3.09Å
15D98.5Very high97.7Very high31 Ų3152 Ų5217%0.16625%0.249CC..SBendtrans-58138.3173.4-76.6-27.2000109.5K12 A17 L105 L377 N378K12-D15 WeakPolarHBondContact CB-OD2 3.49Å; K12-D15 WeakPolarHBondContact CE-OD2 3.42Å; K12-D15 IonicContact NZ-OD2 2.86Å; K12-D15 PolarHBondContact NZ-OD2 3.34Å; K12-D15 VanDerWaalsContact O-CB 3.25Å; K12-D15 WeakPolarHBondContact O-CB 3.38Å; K12-D15 PolarHBondContact O-N 2.85Å; D15-A17 PolarHBondContact O-N 2.92Å; D15-L105 HydrophobicContact CB-CB 4.34Å; D15-L105 WeakPolarHBondContact O-CB 3.38Å; D15-L105 PolarHBondContact O-N 3.01Å; D15-L377 HydrophobicContact CB-CD1 3.79Å; D15-N378 PolarHBondContact OD1-ND2 2.98Å
16F98.5Very high97.6Very high82 Ų8251.3 Ų51.336%0.3625%0.247SC..EExtended strand (participates in β ladder)trans-74.3116.6177.5-175.9-91.4000109.5E14 V18 E102 N378E14-F16 PolarHBondContact O-N 3Å; F16-V18 HydrophobicContact CE1-CG2 3.88Å; F16-E102 HydrophobicContact CE2-CB 4.4Å; F16-E102 HydrophobicContact CZ-CB 3.82Å; F16-N378 PolarHBondContact N-OD1 3.1Å; F16-N378 PolarHBondContact O-N 3.47Å
17A98.6Very high97.5Very high0 Ų047.8 Ų47.80%022%0.222CC..EExtended strand (participates in β ladder)trans-120.2147.6-176.600000111.5D15 F19 E102 G103 L105 L374 L377D15-A17 PolarHBondContact O-N 2.92Å; A17-F19 HydrophobicContact CB-CD2 4.12Å; A17-F19 HydrophobicContact CB-CE2 3.73Å; A17-E102 WeakPolarHBondContact O-CA 3.48Å; A17-G103 PolarHBondContact N-O 3.17Å; A17-G103 PolarHBondContact O-N 3.43Å; A17-L105 HydrophobicContact CB-CB 4.03Å; A17-L105 HydrophobicContact CB-CD1 3.81Å; A17-L374 HydrophobicContact CB-CD1 3.82Å; A17-L377 HydrophobicContact CB-CD1 3.96Å
18V98.5Very high97.4Very high0 Ų044.9 Ų44.90%021%0.211CC..EExtended strand (participates in β ladder)trans-119.2119.3172.3-177.60000108.4F16 T100 V101 E102 V375 E376 R397F16-V18 HydrophobicContact CE1-CG2 3.88Å; V18-T100 HydrophobicContact CG1-CG2 3.62Å; V18-V101 WeakPolarHBondContact CA-O 3.27Å; V18-E102 HydrophobicContact CG1-CG 4.16Å; V18-E102 HydrophobicContact CG2-CG 4.13Å; V18-V375 HydrophobicContact CB-CG2 4.05Å; V18-V375 HydrophobicContact CG1-CG2 3.62Å; V18-V375 WeakPolarHBondContact O-CG2 3.41Å; V18-V375 PolarHBondContact O-N 3.05Å; V18-E376 HydrophobicContact CB-CB 3.84Å; V18-E376 HydrophobicContact CG2-CB 3.91Å; V18-E376 PolarHBondContact N-O 2.86Å; V18-E376 PolarHBondContact O-N 3.17Å; V18-R397 HydrophobicContact CB-CG 4.25Å; V18-R397 HydrophobicContact CG1-CG 3.81Å; V18-R397 HydrophobicContact CG2-CG 3.8Å
19F98.6Very high97.1Very high7 Ų750.3 Ų50.33%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-112.2145.5173.4-73.7-103000111A17 T100 V101 L105 C108 Y372 K373 L374A17-F19 HydrophobicContact CB-CD2 4.12Å; A17-F19 HydrophobicContact CB-CE2 3.73Å; F19-T100 CarbonylContact O-C 3.57Å; F19-T100 WeakPolarHBondContact O-CA 3.09Å; F19-V101 PolarHBondContact N-O 3.28Å; F19-V101 PolarHBondContact O-N 3.39Å; F19-L105 HydrophobicContact CE2-CD1 3.76Å; F19-L105 HydrophobicContact CZ-CD1 3.82Å; F19-C108 HydrophobicContact CD2-CB 3.57Å; F19-C108 HydrophobicContact CE2-CB 3.64Å; F19-Y372 HydrophobicContact CB-CD1 4.03Å; F19-Y372 HydrophobicContact CB-CE1 3.38Å; F19-Y372 HydrophobicContact CB-CE2 3.95Å; F19-Y372 AromaticContact CD1-CD1 3.39Å; F19-Y372 HydrophobicContact CD1-CD1 3.39Å; F19-Y372 AromaticContact CD1-CE1 3.17Å; F19-Y372 HydrophobicContact CD1-CE1 3.17Å; F19-Y372 HydrophobicContact CD1-CG 4.45Å; F19-Y372 HydrophobicContact CD2-CE1 4.19Å; F19-Y372 HydrophobicContact CE1-CD1 4.1Å; F19-Y372 AromaticContact CE1-CE1 3.92Å; F19-Y372 HydrophobicContact CE1-CE1 3.92Å; F19-Y372 AromaticContact CG-CD1 3.99Å; F19-Y372 HydrophobicContact CG-CD1 3.99Å; F19-Y372 AromaticContact CG-CE1 3.33Å; F19-Y372 HydrophobicContact CG-CE1 3.33Å; F19-Y372 AromaticContact CG-CZ 3.8Å; F19-K373 CarbonylContact C-O 3.59Å; F19-K373 VanDerWaalsContact CA-O 3.24Å; F19-K373 WeakPolarHBondContact CA-O 3.3Å; F19-L374 HydrophobicContact CD1-CB 4.12Å; F19-L374 VanDerWaalsContact CD1-N 3.34Å; F19-L374 HydrophobicContact CD2-CD1 4.05Å; F19-L374 HydrophobicContact CE1-CB 3.78Å; F19-L374 HydrophobicContact CE1-CD1 4.41Å; F19-L374 HydrophobicContact CE2-CD1 3.68Å; F19-L374 HydrophobicContact CZ-CB 4.03Å; F19-L374 HydrophobicContact CZ-CD1 3.87Å; F19-L374 HydrophobicContact CZ-CG 4.49Å
20E98.4Very high97Very high4 Ų446.4 Ų46.42%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-118.9132.4173.3-71.3177.3175.600110.7F22 P97 I99 T100 Y372 K373 V375 K398E20-F22 HydrophobicContact CB-CD1 4.29Å; E20-P97 HydrophobicContact CB-CB 4.31Å; E20-P97 HydrophobicContact CG-CB 3.97Å; E20-I99 CarbonylContact C-O 3.56Å; E20-I99 WeakPolarHBondContact CA-O 3.24Å; E20-T100 HydrophobicContact CG-CG2 4.23Å; E20-Y372 CarbonylContact O-C 3.5Å; E20-Y372 WeakPolarHBondContact O-CA 3.44Å; E20-K373 PolarHBondContact N-O 3.33Å; E20-K373 PolarHBondContact O-N 2.99Å; E20-V375 HydrophobicContact CB-CG1 4.16Å; E20-V375 HydrophobicContact CG-CG1 4.06Å; E20-V375 HydrophobicContact CG-CG2 3.84Å; E20-K398 IonicContact OE1-NZ 3.92Å; E20-K398 PolarHBondContact OE1-NZ 3.48Å; E20-K398 WeakPolarHBondContact OE2-CE 3.21Å; E20-K398 IonicContact OE2-NZ 2.61Å; E20-K398 PolarHBondContact OE2-NZ 2.9Å
21L98.7Very high96.9Very high0 Ų046 Ų460%021%0.207CC..EExtended strand (participates in β ladder)trans-96.6119.8167.4-164.7157.7000108.9L98 I99 L115 L116 V119 C370 V371 Y372L21-L98 HydrophobicContact CD2-CB 4.46Å; L21-L98 HydrophobicContact CD2-CD1 4.21Å; L21-L98 WeakPolarHBondContact O-CB 3.32Å; L21-L98 PolarHBondContact O-N 3.19Å; L21-I99 HydrophobicContact CB-CB 4.08Å; L21-I99 PolarHBondContact N-O 3.12Å; L21-I99 PolarHBondContact O-N 2.93Å; L21-L115 HydrophobicContact CD1-CB 3.91Å; L21-L116 HydrophobicContact CD1-CD2 4.12Å; L21-L116 HydrophobicContact CG-CD2 4.04Å; L21-V119 HydrophobicContact CD1-CB 4.26Å; L21-V119 HydrophobicContact CD1-CG2 3.95Å; L21-V119 HydrophobicContact CD2-CB 4.02Å; L21-V119 HydrophobicContact CD2-CG1 3.7Å; L21-V119 HydrophobicContact CD2-CG2 4.19Å; L21-C370 HydrophobicContact CD2-CB 4.07Å; L21-V371 VanDerWaalsContact CA-O 3.31Å; L21-V371 WeakPolarHBondContact CA-O 3.45Å; L21-Y372 HydrophobicContact CB-CD2 3.97Å; L21-Y372 HydrophobicContact CD1-CD2 4.31Å; L21-Y372 HydrophobicContact CG-CD2 4.39Å
22F97.9Very high96.9Very high6 Ų637.9 Ų37.93%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-150.2172.9177.665.5-86000110.9E20 R24 E96 C370 V371 K373 T393E20-F22 HydrophobicContact CB-CD1 4.29Å; F22-R24 HydrophobicContact CE2-CG 4.25Å; F22-E96 WeakPolarHBondContact CB-O 3.46Å; F22-C370 CarbonylContact O-C 3.54Å; F22-C370 WeakPolarHBondContact O-CA 3.34Å; F22-V371 HydrophobicContact CD1-CG2 4.07Å; F22-V371 HydrophobicContact CD2-CG2 3.93Å; F22-V371 HydrophobicContact CE1-CG2 3.71Å; F22-V371 HydrophobicContact CE2-CG2 3.56Å; F22-V371 HydrophobicContact CG-CG2 4.18Å; F22-V371 HydrophobicContact CZ-CG2 3.44Å; F22-V371 VanDerWaalsContact CZ-CG2 3.44Å; F22-V371 PolarHBondContact N-O 3.28Å; F22-V371 PolarHBondContact O-N 2.81Å; F22-K373 HydrophobicContact CE1-CB 4.13Å; F22-K373 HydrophobicContact CE1-CG 4.01Å; F22-K373 HydrophobicContact CZ-CG 4.29Å; F22-T393 HydrophobicContact CE1-CG2 4.28Å; F22-T393 HydrophobicContact CZ-CG2 4.36Å
23F97.2Very high96.9Very high0 Ų034.1 Ų34.10%016%0.155CC..EExtended strand (participates in β ladder)trans-121.2158.7173.365.7-80.8000111.4K25 N26 T33 V92 P94 K95 L98 L368F23-K25 VanDerWaalsContact CD2-O 3.27Å; F23-K25 WeakPolarHBondContact CD2-O 3.31Å; F23-N26 WeakPolarHBondContact CE2-OD1 3.43Å; F23-T33 HydrophobicContact CE1-CG2 4.31Å; F23-T33 WeakPolarHBondContact CE2-OG1 3.47Å; F23-T33 HydrophobicContact CZ-CG2 4.21Å; F23-T33 VanDerWaalsContact CZ-OG1 3.32Å; F23-T33 WeakPolarHBondContact CZ-OG1 3.42Å; F23-V92 HydrophobicContact CE1-CB 4.41Å; F23-V92 HydrophobicContact CE1-CG2 3.72Å; F23-V92 HydrophobicContact CZ-CG2 4.17Å; F23-P94 HydrophobicContact CD2-CG 4.33Å; F23-P94 HydrophobicContact CE2-CB 4.3Å; F23-P94 HydrophobicContact CE2-CG 3.77Å; F23-P94 CarbonylContact O-C 3.56Å; F23-P94 WeakPolarHBondContact O-CA 3.17Å; F23-K95 PolarHBondContact O-N 3.37Å; F23-L98 HydrophobicContact CD1-CD1 3.76Å; F23-L98 HydrophobicContact CD1-CG 4.44Å; F23-L98 HydrophobicContact CE1-CD1 4.14Å; F23-L98 HydrophobicContact CE1-CD2 4.23Å; F23-L368 HydrophobicContact CB-CD2 4.47Å; F23-L368 HydrophobicContact CB-CG 4.13Å; F23-L368 HydrophobicContact CD2-CD1 4.23Å; F23-L368 HydrophobicContact CG-CD1 4.35Å; F23-L368 HydrophobicContact CG-CD2 4.44Å; F23-L368 HydrophobicContact CG-CG 4.32Å
24R93.7Very high96.9Very high65 Ų6532.8 Ų32.825%0.24515%0.149CC..SBendtrans-99.8-22.2-172.8-65.7-172.3-179.3116.3-4.3115F22 P94 K391F22-R24 HydrophobicContact CE2-CG 4.25Å; R24-P94 WeakPolarHBondContact O-CB 3.39Å; R24-K391 PolarHBondContact NH2-O 2.9Å
25K94.3Very high97Very high155 Ų15527.7 Ų27.767%0.67413%0.125SC*.SBendtrans-147.3135.6-177.3-63.3-174.2179.7-1760109.1F23F23-K25 VanDerWaalsContact CD2-O 3.27Å; F23-K25 WeakPolarHBondContact CD2-O 3.31Å
26N96.3Very high97Very high14 Ų1426.2 Ų26.28%0.07512%0.118CC..  trans-60.2149.4171.3-74.9-54.5000110.4F23 G30 E31 F32 T33 P94F23-N26 WeakPolarHBondContact CE2-OD1 3.43Å; N26-G30 WeakPolarHBondContact CB-O 3.23Å; N26-E31 WeakPolarHBondContact ND2-CA 3.47Å; N26-E31 PolarHBondContact ND2-O 3.19Å; N26-E31 PolarHBondContact ND2-OE2 3.04Å; N26-F32 WeakPolarHBondContact OD1-CA 3.34Å; N26-T33 PolarHBondContact OD1-N 2.76Å; N26-T33 PolarHBondContact OD1-OG1 3.46Å; N26-P94 WeakPolarHBondContact ND2-CD 3.23Å
27P96Very high96.9Very high0 Ų022.3 Ų22.30%010%0.1CC..SBendtrans-80.9163-178.735-36000112.3E29 G30 T33 L124 T127 L368P27-E29 VanDerWaalsContact C-N 3.26Å; P27-E29 PolarHBondContact O-N 2.78Å; P27-G30 PolarHBondContact O-N 3.27Å; P27-T33 WeakPolarHBondContact CD-OG1 3.4Å; P27-L124 HydrophobicContact CB-CD1 3.62Å; P27-L124 HydrophobicContact CG-CD1 4.24Å; P27-T127 HydrophobicContact CG-CG2 3.81Å; P27-L368 HydrophobicContact CB-CD1 4.01Å; P27-L368 HydrophobicContact CG-CD1 3.84Å
28F94.8Very high96.9Very high2 Ų222.8 Ų22.81%0.00910%0.103CC..THydrogen-bonded Turntrans60.429.9168.6-43-57.7000114.9G30 L124 T127 K128 R131 C362 Q364 Q365F28-G30 PolarHBondContact O-N 3.21Å; F28-G30 VanDerWaalsContact O-N 3.09Å; F28-L124 HydrophobicContact CE1-CD1 4.06Å; F28-L124 HydrophobicContact CE2-CD1 3.97Å; F28-L124 HydrophobicContact CE2-CG 4.49Å; F28-L124 HydrophobicContact CZ-CD1 3.47Å; F28-L124 VanDerWaalsContact CZ-CD1 3.47Å; F28-L124 HydrophobicContact CZ-CG 3.81Å; F28-T127 HydrophobicContact CD2-CG2 4.31Å; F28-T127 HydrophobicContact CE2-CG2 4.34Å; F28-K128 HydrophobicContact CD2-CD 4.42Å; F28-K128 HydrophobicContact CE1-CD 4.15Å; F28-K128 HydrophobicContact CE2-CB 3.77Å; F28-K128 HydrophobicContact CE2-CD 4.03Å; F28-K128 HydrophobicContact CE2-CG 4.49Å; F28-K128 HydrophobicContact CZ-CB 3.83Å; F28-K128 HydrophobicContact CZ-CD 3.87Å; F28-K128 HydrophobicContact CZ-CG 4.29Å; F28-R131 PolarHBondContact O-NH2 2.84Å; F28-R131 VanDerWaalsContact O-NH2 3.12Å; F28-C362 HydrophobicContact CE1-CB 4.08Å; F28-C362 HydrophobicContact CZ-CB 3.94Å; F28-Q364 HydrophobicContact CD1-CB 4.06Å; F28-Q364 HydrophobicContact CD1-CG 4.43Å; F28-Q365 HydrophobicContact CD1-CB 3.88Å; F28-Q365 HydrophobicContact CE1-CB 3.92Å
29E92.7Very high96.8Very high159 Ų15924.1 Ų24.174%0.74311%0.109SC*.THydrogen-bonded Turntrans55.526.6-175.7-58.4157.5-131.500112.3P27 Q364P27-E29 VanDerWaalsContact C-N 3.26Å; P27-E29 PolarHBondContact O-N 2.78Å; E29-Q364 PolarHBondContact OE1-NE2 3.47Å
30G94.6Very high96.6Very high4 Ų425.5 Ų25.54%0.04112%0.117CC..  trans-92.8178.1172.100000112.4N26 P27 F28N26-G30 WeakPolarHBondContact CB-O 3.23Å; P27-G30 PolarHBondContact O-N 3.27Å; F28-G30 PolarHBondContact O-N 3.21Å; F28-G30 VanDerWaalsContact O-N 3.09Å
31E95.9Very high96.6Very high50 Ų5025.4 Ų25.423%0.23412%0.117CC..SBendtrans-119.522.9175.3-71-66.1164.500113.4N26 F93 P506 P508N26-E31 WeakPolarHBondContact ND2-CA 3.47Å; N26-E31 PolarHBondContact ND2-O 3.19Å; N26-E31 PolarHBondContact ND2-OE2 3.04Å; E31-F93 WeakPolarHBondContact O-CD1 3.24Å; E31-F93 WeakPolarHBondContact O-CE1 3.27Å; E31-P506 HydrophobicContact CB-CB 3.86Å; E31-P506 HydrophobicContact CB-CG 4.14Å; E31-P506 HydrophobicContact CG-CB 3.73Å; E31-P506 HydrophobicContact CG-CG 3.75Å; E31-P508 WeakPolarHBondContact OE2-CA 3.35Å
32F97.6Very high96.6Very high3 Ų325.8 Ų25.81%0.01312%0.118CC..  trans-145.7155.5172.674.4-92.8000111.8N26 I34 I91 F93 T127 M130 R131 F493 T501N26-F32 WeakPolarHBondContact OD1-CA 3.34Å; F32-I34 HydrophobicContact CE2-CG1 4.48Å; F32-I91 HydrophobicContact CB-CD1 4.48Å; F32-I91 HydrophobicContact CB-CG2 3.78Å; F32-I91 HydrophobicContact CD2-CD1 3.54Å; F32-I91 HydrophobicContact CE2-CD1 4.12Å; F32-I91 HydrophobicContact CG-CD1 4.3Å; F32-F93 HydrophobicContact CB-CE1 4.24Å; F32-T127 HydrophobicContact CD2-CG2 4.32Å; F32-T127 HydrophobicContact CE2-CG2 4.04Å; F32-M130 HydrophobicContact CE2-CB 4.49Å; F32-M130 HydrophobicContact CE2-CG 4.3Å; F32-M130 HydrophobicContact CZ-CG 4.36Å; F32-R131 HydrophobicContact CZ-CG 4Å; F32-F493 HydrophobicContact CE1-CE2 4.01Å; F32-F493 HydrophobicContact CE2-CD2 4.36Å; F32-F493 HydrophobicContact CE2-CE2 4.25Å; F32-F493 HydrophobicContact CZ-CD2 4.38Å; F32-F493 AromaticContact CZ-CE2 3.83Å; F32-F493 HydrophobicContact CZ-CE2 3.83Å; F32-T501 HydrophobicContact CD1-CG2 4.37Å
33T98.5Very high96.5Very high0 Ų027.6 Ų27.60%014%0.135CC..EExtended strand (participates in β ladder)trans-132.3140.2170.4-580000108.9F23 N26 P27 I91 V92 L368F23-T33 HydrophobicContact CE1-CG2 4.31Å; F23-T33 WeakPolarHBondContact CE2-OG1 3.47Å; F23-T33 HydrophobicContact CZ-CG2 4.21Å; F23-T33 VanDerWaalsContact CZ-OG1 3.32Å; F23-T33 WeakPolarHBondContact CZ-OG1 3.42Å; N26-T33 PolarHBondContact OD1-N 2.76Å; N26-T33 PolarHBondContact OD1-OG1 3.46Å; P27-T33 WeakPolarHBondContact CD-OG1 3.4Å; T33-I91 CarbonylContact O-C 3.54Å; T33-I91 VanDerWaalsContact O-CA 3.32Å; T33-I91 WeakPolarHBondContact O-CA 3.36Å; T33-V92 HydrophobicContact CG2-CG2 4.29Å; T33-V92 PolarHBondContact N-O 3.05Å; T33-V92 VanDerWaalsContact N-O 3.16Å; T33-V92 WeakPolarHBondContact O-CG2 3.46Å; T33-V92 PolarHBondContact O-N 3.25Å; T33-L368 HydrophobicContact CG2-CD1 4.1Å; T33-L368 HydrophobicContact CG2-CD2 3.94Å
34I98.7Very high96.5Very high0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans-90.2118169.5-66.9166.7000108F32 C36 I91 S123 A126 T127 M130 V489F32-I34 HydrophobicContact CE2-CG1 4.48Å; I34-C36 PolarHBondContact O-N 3.16Å; I34-I91 HydrophobicContact CD1-CD1 4.37Å; I34-I91 HydrophobicContact CG1-CD1 3.49Å; I34-I91 VanDerWaalsContact CG1-CD1 3.49Å; I34-S123 VanDerWaalsContact O-CA 3.27Å; I34-S123 WeakPolarHBondContact O-CA 3.47Å; I34-S123 VanDerWaalsContact O-CB 3.29Å; I34-S123 WeakPolarHBondContact O-CB 3.3Å; I34-A126 HydrophobicContact CB-CB 4.12Å; I34-A126 HydrophobicContact CG2-CB 3.89Å; I34-T127 PolarHBondContact N-OG1 3.12Å; I34-M130 HydrophobicContact CD1-CB 3.39Å; I34-M130 HydrophobicContact CD1-CG 3.89Å; I34-V489 HydrophobicContact CD1-CG1 3.58Å; I34-V489 HydrophobicContact CG1-CG1 4.4Å; I34-V489 HydrophobicContact CG2-CG2 3.8Å
35F98.7Very high96.7Very high0 Ų027 Ų270%014%0.136CC..  trans-72.8124.4177.3-179.9-120.1000111.3L38 I86 E88 G89 T90 V92 L98 I99 V119F35-L38 HydrophobicContact CE1-CB 3.83Å; F35-L38 HydrophobicContact CE1-CD2 4.36Å; F35-L38 HydrophobicContact CZ-CB 3.96Å; F35-I86 HydrophobicContact CD1-CB 3.92Å; F35-I86 HydrophobicContact CD1-CG2 4.24Å; F35-I86 WeakPolarHBondContact CD1-O 3.34Å; F35-I86 HydrophobicContact CE1-CB 4.25Å; F35-I86 WeakPolarHBondContact CE1-O 3.43Å; F35-E88 CarbonylContact O-C 3.6Å; F35-E88 WeakPolarHBondContact O-CA 3.39Å; F35-G89 PolarHBondContact O-N 3.37Å; F35-T90 PolarHBondContact N-O 3.03Å; F35-V92 HydrophobicContact CB-CB 4.45Å; F35-V92 HydrophobicContact CB-CG1 3.8Å; F35-V92 HydrophobicContact CB-CG2 3.76Å; F35-L98 HydrophobicContact CD2-CB 3.96Å; F35-L98 HydrophobicContact CD2-CD1 3.7Å; F35-L98 HydrophobicContact CD2-CD2 4.21Å; F35-L98 HydrophobicContact CD2-CG 4.17Å; F35-L98 HydrophobicContact CE2-CB 3.65Å; F35-L98 HydrophobicContact CE2-CD1 3.9Å; F35-L98 HydrophobicContact CE2-CG 4.3Å; F35-L98 HydrophobicContact CZ-CB 4.12Å; F35-I99 HydrophobicContact CE2-CG1 4.43Å; F35-I99 HydrophobicContact CZ-CD1 4.04Å; F35-I99 HydrophobicContact CZ-CG1 3.77Å; F35-V119 HydrophobicContact CD2-CG1 4.28Å; F35-V119 HydrophobicContact CE2-CG1 3.74Å; F35-V119 HydrophobicContact CE2-CG2 4.26Å
36C98.4Very high96.8Very high0 Ų027.7 Ų27.70%014%0.139CC..  trans-148.6160.9176.2-77.50000110.2I34 S123 A126 Y162I34-C36 PolarHBondContact O-N 3.16Å; C36-S123 PolarHBondContact N-OG 3.14Å; C36-S123 PolarHBondContact O-OG 3.11Å; C36-A126 HydrophobicContact CB-CB 4.36Å; C36-Y162 HydrophobicContact CB-CD1 3.53Å; C36-Y162 HydrophobicContact CB-CE1 3.62Å; C36-Y162 HydrophobicContact CB-CG 4.41Å
37G97.1Very high96.8Very high0 Ų031.7 Ų31.70%016%0.164CC..  trans108.3-9.717900000114.3Q39 D40 C41 E88G37-Q39 VanDerWaalsContact C-N 3.32Å; G37-Q39 PolarHBondContact O-N 2.9Å; G37-D40 PolarHBondContact O-N 2.88Å; G37-C41 PolarHBondContact O-N 3.35Å; G37-C41 PolarHBondContact O-SG 2.91Å; G37-E88 VanDerWaalsContact CA-OE1 3.32Å; G37-E88 WeakPolarHBondContact CA-OE1 3.38Å; G37-E88 PolarHBondContact N-OE1 2.87Å
38L98Very high96.9Very high10 Ų1033.1 Ų33.15%0.05217%0.171CC..Hα-helixtrans-59.9-40.8178.6176.562.7000112.1F35 D40 C41 L42 I86 E88 I99 V469F35-L38 HydrophobicContact CE1-CB 3.83Å; F35-L38 HydrophobicContact CE1-CD2 4.36Å; F35-L38 HydrophobicContact CZ-CB 3.96Å; L38-D40 VanDerWaalsContact C-N 3.28Å; L38-D40 PolarHBondContact O-N 3.29Å; L38-C41 WeakPolarHBondContact O-CB 3.27Å; L38-C41 PolarHBondContact O-N 3.13Å; L38-L42 HydrophobicContact CD1-CD1 4.29Å; L38-L42 HydrophobicContact CD1-CD2 4.49Å; L38-L42 HydrophobicContact CD1-CG 4.13Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 HydrophobicContact CG-CG 4.32Å; L38-L42 VanDerWaalsContact O-CG 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.35Å; L38-L42 PolarHBondContact O-N 2.86Å; L38-I86 VanDerWaalsContact CD2-O 3.28Å; L38-I86 WeakPolarHBondContact CD2-O 3.25Å; L38-E88 HydrophobicContact CB-CG 3.78Å; L38-E88 PolarHBondContact N-OE1 3.28Å; L38-I99 HydrophobicContact CD1-CD1 3.88Å; L38-I99 HydrophobicContact CD1-CG1 4.21Å; L38-V469 HydrophobicContact CD1-CG2 4.26Å; L38-V469 HydrophobicContact CD2-CG1 4.25Å
39Q96.5Very high97Very high28 Ų2840.1 Ų40.113%0.13120%0.201CC..Hα-helixtrans-66.5-34.4-178.1-177.455.359.800111.6G37 L42 A43 E88 V479G37-Q39 VanDerWaalsContact C-N 3.32Å; G37-Q39 PolarHBondContact O-N 2.9Å; Q39-L42 PolarHBondContact O-N 3.49Å; Q39-A43 WeakPolarHBondContact O-CB 3.38Å; Q39-A43 PolarHBondContact O-N 3.37Å; Q39-E88 PolarHBondContact N-OE1 3.1Å; Q39-V479 HydrophobicContact CG-CG1 4.05Å
40D95.7Very high97.2Very high35 Ų3534.3 Ų34.319%0.18717%0.173CC..Hα-helixtrans-72.2-36.2174.9-60.8-28.5000110.9G37 L38 A43 L44 L118 R161 Y162G37-D40 PolarHBondContact O-N 2.88Å; L38-D40 VanDerWaalsContact C-N 3.28Å; L38-D40 PolarHBondContact O-N 3.29Å; D40-A43 PolarHBondContact O-N 3.47Å; D40-L44 PolarHBondContact O-N 2.84Å; D40-L118 HydrophobicContact CB-CB 4.5Å; D40-L118 HydrophobicContact CB-CD1 4.25Å; D40-L118 HydrophobicContact CB-CD2 3.91Å; D40-L118 HydrophobicContact CB-CG 4.44Å; D40-R161 IonicContact OD1-CZ 2.66Å; D40-R161 IonicContact OD1-NH1 3.5Å; D40-R161 PolarHBondContact OD1-NH1 3.43Å; D40-R161 IonicContact OD2-NH1 3.8Å; D40-Y162 PolarHBondContact OD2-OH 3.19Å
41C97.9Very high97.4Very high3 Ų337.2 Ų37.22%0.0219%0.19CC..Hα-helixtrans-59.2-46.7170.6-66.60000111.6G37 L38 A43 L44 L45 I99 L115G37-C41 PolarHBondContact O-N 3.35Å; G37-C41 PolarHBondContact O-SG 2.91Å; L38-C41 WeakPolarHBondContact O-CB 3.27Å; L38-C41 PolarHBondContact O-N 3.13Å; C41-A43 VanDerWaalsContact C-N 3.33Å; C41-A43 PolarHBondContact O-N 3.41Å; C41-L44 WeakPolarHBondContact O-CB 3.5Å; C41-L44 PolarHBondContact O-N 3.38Å; C41-L45 WeakPolarHBondContact O-CG 3.45Å; C41-L45 PolarHBondContact O-N 3.39Å; C41-I99 HydrophobicContact CB-CD1 4.44Å; C41-L115 HydrophobicContact CB-CD2 3.58Å; C41-L115 VanDerWaalsContact SG-CD2 3.55Å
42L98Very high97.5Very high7 Ų739.8 Ų39.84%0.03721%0.205CC..Hα-helixtrans-65.5-37.1178.5-65.4171.4000111.9L38 Q39 L44 L45 K46 V469 W470 Q475L38-L42 HydrophobicContact CD1-CD1 4.29Å; L38-L42 HydrophobicContact CD1-CD2 4.49Å; L38-L42 HydrophobicContact CD1-CG 4.13Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 HydrophobicContact CG-CG 4.32Å; L38-L42 VanDerWaalsContact O-CG 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.35Å; L38-L42 PolarHBondContact O-N 2.86Å; Q39-L42 PolarHBondContact O-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L45 HydrophobicContact CD2-CD1 4.29Å; L42-L45 PolarHBondContact O-N 2.96Å; L42-K46 PolarHBondContact O-N 3.29Å; L42-V469 HydrophobicContact CD1-CB 4.34Å; L42-V469 HydrophobicContact CD2-CB 4.29Å; L42-V469 HydrophobicContact CD2-CG2 4.04Å; L42-W470 HydrophobicContact CD2-CB 4.04Å; L42-W470 HydrophobicContact CD2-CE3 4.2Å; L42-Q475 HydrophobicContact CD1-CG 4.03Å
43A96.2Very high97.5Very high44 Ų4442 Ų4236%0.36423%0.229SC..Hα-helixtrans-61.3-42.3172.700000111.6Q39 D40 C41 K46 T47Q39-A43 WeakPolarHBondContact O-CB 3.38Å; Q39-A43 PolarHBondContact O-N 3.37Å; D40-A43 PolarHBondContact O-N 3.47Å; C41-A43 VanDerWaalsContact C-N 3.33Å; C41-A43 PolarHBondContact O-N 3.41Å; A43-K46 WeakPolarHBondContact O-CB 3.13Å; A43-K46 PolarHBondContact O-N 3.5Å; A43-T47 PolarHBondContact O-N 3.13Å; A43-T47 PolarHBondContact O-OG1 3.27Å
44L97.3Very high97.4Very high46 Ų4645.4 Ų45.424%0.24125%0.248CC..Hα-helixtrans-59.6-48.6173.4171.669.6000111.7D40 C41 L42 K46 T47 F48 L111 A114 L115 L118D40-L44 PolarHBondContact O-N 2.84Å; C41-L44 WeakPolarHBondContact O-CB 3.5Å; C41-L44 PolarHBondContact O-N 3.38Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L44-K46 PolarHBondContact O-N 2.8Å; L44-T47 CarbonylContact O-C 3.52Å; L44-T47 PolarHBondContact O-N 3.28Å; L44-T47 VanDerWaalsContact O-N 3.11Å; L44-T47 PolarHBondContact O-OG1 3.42Å; L44-F48 WeakPolarHBondContact O-CB 3.28Å; L44-F48 PolarHBondContact O-N 3.39Å; L44-L111 HydrophobicContact CD2-CD2 4.44Å; L44-A114 HydrophobicContact CD2-CB 3.49Å; L44-A114 VanDerWaalsContact CD2-CB 3.49Å; L44-L115 HydrophobicContact CD2-CD2 4.25Å; L44-L118 HydrophobicContact CB-CD1 4.27Å; L44-L118 HydrophobicContact CD2-CD1 4.15Å
45L98.2Very high97.3Very high8 Ų846.1 Ų46.14%0.04225%0.251CS..Hα-helixtrans-59.2-36.8179.8-61.3-178000111.9C41 L42 T47 C78 L81 V83 L111 W470C41-L45 WeakPolarHBondContact O-CG 3.45Å; C41-L45 PolarHBondContact O-N 3.39Å; L42-L45 HydrophobicContact CD2-CD1 4.29Å; L42-L45 PolarHBondContact O-N 2.96Å; L45-T47 VanDerWaalsContact C-N 3.31Å; L45-T47 PolarHBondContact O-N 3.11Å; L45-C78 HydrophobicContact CB-CB 4.1Å; L45-C78 HydrophobicContact CD2-CB 4.36Å; L45-C78 WeakPolarHBondContact O-CB 3.29Å; L45-L81 HydrophobicContact CD2-CD1 4.23Å; L45-V83 HydrophobicContact CD1-CG2 3.75Å; L45-L111 HydrophobicContact CD2-CD1 3.57Å; L45-L111 HydrophobicContact CD2-CD2 3.96Å; L45-L111 HydrophobicContact CD2-CG 4.41Å; L45-W470 HydrophobicContact CB-CD2 4.1Å; L45-W470 HydrophobicContact CB-CE3 4.12Å; L45-W470 HydrophobicContact CB-CH2 4.01Å; L45-W470 HydrophobicContact CB-CZ2 3.91Å; L45-W470 HydrophobicContact CB-CZ3 4.09Å; L45-W470 HydrophobicContact CD1-CB 4.28Å; L45-W470 HydrophobicContact CD1-CD2 3.92Å; L45-W470 HydrophobicContact CD1-CE3 4.32Å; L45-W470 HydrophobicContact CD1-CG 3.9Å
46K96.8Very high97.3Very high168 Ų16848.9 Ų48.973%0.7327%0.274SS*.Hα-helixtrans-64.9-32.9177.6-171.5179.6179.9-179.70113.5L42 A43 L44 W470L42-K46 PolarHBondContact O-N 3.29Å; A43-K46 WeakPolarHBondContact O-CB 3.13Å; A43-K46 PolarHBondContact O-N 3.5Å; L44-K46 PolarHBondContact O-N 2.8Å; K46-W470 HydrophobicContact CB-CH2 4.03Å; K46-W470 HydrophobicContact CB-CZ3 4.16Å
47T96.4Very high97.2Very high98 Ų9856 Ų5660%0.60130%0.302SS*.Hα-helixtrans-107.51.2-176.459.60000113.6A43 L44 L45 K49A43-T47 PolarHBondContact O-N 3.13Å; A43-T47 PolarHBondContact O-OG1 3.27Å; L44-T47 CarbonylContact O-C 3.52Å; L44-T47 PolarHBondContact O-N 3.28Å; L44-T47 VanDerWaalsContact O-N 3.11Å; L44-T47 PolarHBondContact O-OG1 3.42Å; L45-T47 VanDerWaalsContact C-N 3.31Å; L45-T47 PolarHBondContact O-N 3.11Å; T47-K49 PolarHBondContact O-N 3.46Å; T47-K49 VanDerWaalsContact O-N 3.16Å
48F97.7Very high97.2Very high31 Ų3157 Ų5714%0.13631%0.307CS..  trans-63.5115.4-176.7-179-90000110.7L44 F50 L76 C78 L110 L111L44-F48 WeakPolarHBondContact O-CB 3.28Å; L44-F48 PolarHBondContact O-N 3.39Å; F48-F50 HydrophobicContact CE1-CE2 4.3Å; F48-F50 AromaticContact CZ-CE2 3.85Å; F48-F50 HydrophobicContact CZ-CE2 3.85Å; F48-F50 HydrophobicContact CZ-CZ 4.45Å; F48-L76 HydrophobicContact CE1-CB 4.23Å; F48-C78 VanDerWaalsContact CB-SG 3.57Å; F48-L110 HydrophobicContact CZ-CB 4.3Å; F48-L110 HydrophobicContact CZ-CD1 4.35Å; F48-L111 HydrophobicContact CD2-CD2 3.69Å; F48-L111 HydrophobicContact CE2-CD2 3.81Å; F48-L111 HydrophobicContact CG-CD2 4.34Å
49K96.7Very high97.1Very high149 Ų14959.8 Ų59.865%0.64832%0.319SS*.  trans-163.7155.1173.862.5-176.3-178.8174.30109.4T47T47-K49 PolarHBondContact O-N 3.46Å; T47-K49 VanDerWaalsContact O-N 3.16Å
50F97.4Very high97.1Very high37 Ų3763.2 Ų63.216%0.16234%0.342CS..  trans-93.9127.6166.8-69.5-90.3000109.5M1 F48 D54 L55 L58 L73 L76 L110M1-F50 HydrophobicContact CE-CE1 3.62Å; M1-F50 HydrophobicContact CE-CZ 3.83Å; F48-F50 HydrophobicContact CE1-CE2 4.3Å; F48-F50 AromaticContact CZ-CE2 3.85Å; F48-F50 HydrophobicContact CZ-CE2 3.85Å; F48-F50 HydrophobicContact CZ-CZ 4.45Å; F50-D54 HydrophobicContact CD1-CB 4.37Å; F50-L55 HydrophobicContact CB-CD2 3.85Å; F50-L55 HydrophobicContact CB-CG 4.17Å; F50-L55 HydrophobicContact CD1-CD2 4.5Å; F50-L55 HydrophobicContact CG-CD2 4.34Å; F50-L58 HydrophobicContact CD1-CD1 4.17Å; F50-L58 HydrophobicContact CE1-CD1 4.18Å; F50-L73 HydrophobicContact CD2-CB 4.1Å; F50-L73 VanDerWaalsContact CD2-O 3.29Å; F50-L73 WeakPolarHBondContact CD2-O 3.17Å; F50-L73 HydrophobicContact CE2-CB 4.48Å; F50-L73 HydrophobicContact CE2-CD2 4.04Å; F50-L73 HydrophobicContact CG-CB 4.25Å; F50-L73 HydrophobicContact CZ-CD2 4.23Å; F50-L76 HydrophobicContact CE2-CD1 4.35Å; F50-L110 HydrophobicContact CE2-CD1 4.11Å; F50-L110 HydrophobicContact CZ-CD1 4.2Å
51T97.3Very high97.1Very high64 Ų6465.6 Ų65.639%0.39335%0.354SS..  trans-84.5161.2174.269.70000111G53 D54 L55T51-G53 PolarHBondContact O-N 2.88Å; T51-D54 WeakPolarHBondContact CB-OD2 3.26Å; T51-D54 WeakPolarHBondContact CG2-OD2 3.49Å; T51-D54 PolarHBondContact N-OD2 3Å; T51-D54 WeakPolarHBondContact O-CB 3.31Å; T51-D54 PolarHBondContact O-N 3.3Å; T51-D54 PolarHBondContact OG1-N 3.42Å; T51-D54 PolarHBondContact OG1-OD2 3.18Å; T51-L55 WeakPolarHBondContact O-CG 3.38Å; T51-L55 PolarHBondContact O-N 2.88Å
52D97.7Very high97Very high104 Ų10466 Ų6656%0.55636%0.356SS*.Hα-helixtrans-58-33.3175.3-69.2-40.1000112.2L55 A56 K74D52-L55 PolarHBondContact O-N 2.86Å; D52-A56 WeakPolarHBondContact O-CB 3.41Å; D52-A56 PolarHBondContact O-N 3.35Å; D52-K74 WeakPolarHBondContact OD1-CE 3.37Å; D52-K74 IonicContact OD1-NZ 3.8Å; D52-K74 PolarHBondContact OD1-NZ 3.41Å; D52-K74 IonicContact OD2-NZ 3.6Å
53G97.9Very high96.8Very high50 Ų5070 Ų7052%0.51538%0.382SS..Hα-helixtrans-64.9-42.4173.100000112.9T51 Y57T51-G53 PolarHBondContact O-N 2.88Å; G53-Y57 WeakPolarHBondContact O-CB 3.24Å; G53-Y57 PolarHBondContact O-N 3Å
54D96.9Very high96.7Very high72 Ų7272.9 Ų72.939%0.38539%0.388SS..Hα-helixtrans-62.5-43.9176-58.3-48.5000111.1F50 T51 Y57 L58F50-D54 HydrophobicContact CD1-CB 4.37Å; T51-D54 WeakPolarHBondContact CB-OD2 3.26Å; T51-D54 WeakPolarHBondContact CG2-OD2 3.49Å; T51-D54 PolarHBondContact N-OD2 3Å; T51-D54 WeakPolarHBondContact O-CB 3.31Å; T51-D54 PolarHBondContact O-N 3.3Å; T51-D54 PolarHBondContact OG1-N 3.42Å; T51-D54 PolarHBondContact OG1-OD2 3.18Å; D54-Y57 PolarHBondContact O-N 2.74Å; D54-L58 WeakPolarHBondContact O-CB 3.04Å; D54-L58 VanDerWaalsContact O-CG 3.27Å; D54-L58 WeakPolarHBondContact O-CG 3.27Å; D54-L58 PolarHBondContact O-N 3.33Å
55L97.7Very high96.6Very high14 Ų1471 Ų717%0.07338%0.378CS..Hα-helixtrans-67.4-42.8-179.1-62.1173.1000111.9F50 T51 D52 Y57 L58 K59 L70 L73 K74F50-L55 HydrophobicContact CB-CD2 3.85Å; F50-L55 HydrophobicContact CB-CG 4.17Å; F50-L55 HydrophobicContact CD1-CD2 4.5Å; F50-L55 HydrophobicContact CG-CD2 4.34Å; T51-L55 WeakPolarHBondContact O-CG 3.38Å; T51-L55 PolarHBondContact O-N 2.88Å; D52-L55 PolarHBondContact O-N 2.86Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.47Å; L55-L58 HydrophobicContact CD2-CD1 4.49Å; L55-L58 PolarHBondContact O-N 3.46Å; L55-K59 PolarHBondContact O-N 3.28Å; L55-L70 HydrophobicContact CD2-CD2 4.36Å; L55-L73 HydrophobicContact CD2-CB 3.69Å; L55-L73 HydrophobicContact CD2-CD1 4.21Å; L55-K74 HydrophobicContact CD1-CB 3.6Å; L55-K74 HydrophobicContact CD1-CD 3.96Å; L55-K74 HydrophobicContact CD1-CG 3.9Å
56A97.1Very high96.5Very high59 Ų5974.8 Ų74.849%0.48840%0.396SS..Hα-helixtrans-59.8-44.6174.400000110.9D52 K59 T60D52-A56 WeakPolarHBondContact O-CB 3.41Å; D52-A56 PolarHBondContact O-N 3.35Å; A56-K59 PolarHBondContact O-N 3.04Å; A56-T60 WeakPolarHBondContact O-CG2 3.48Å; A56-T60 PolarHBondContact O-N 3.31Å
57Y97.2Very high96.5Very high148 Ų14871.3 Ų71.358%0.5839%0.385SS*.Hα-helixtrans-63.4-43.3175.2177.6-110.9000112.4G53 D54 L55 K59 T60 I61G53-Y57 WeakPolarHBondContact O-CB 3.24Å; G53-Y57 PolarHBondContact O-N 3Å; D54-Y57 PolarHBondContact O-N 2.74Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.47Å; Y57-K59 VanDerWaalsContact C-N 3.27Å; Y57-K59 PolarHBondContact O-N 3.13Å; Y57-T60 PolarHBondContact O-N 3.21Å; Y57-T60 PolarHBondContact O-OG1 2.93Å; Y57-I61 HydrophobicContact CE1-CD1 3.96Å; Y57-I61 HydrophobicContact CE1-CG2 4.45Å; Y57-I61 HydrophobicContact CE2-CG2 3.97Å; Y57-I61 PolarHBondContact O-N 3.44Å
58L96.5Very high96.5Very high21 Ų2172 Ų7211%0.1138%0.382CS..Hα-helixtrans-58.9-38.7176.9-76.3172.2000112.3M1 F50 D54 L55 T60 I61 L62 L70 L73M1-L58 HydrophobicContact CE-CD1 3.67Å; M1-L58 HydrophobicContact CE-CD2 4.03Å; M1-L58 HydrophobicContact CG-CD2 4.13Å; M1-L58 HydrophobicContact SD-CD1 4.44Å; F50-L58 HydrophobicContact CD1-CD1 4.17Å; F50-L58 HydrophobicContact CE1-CD1 4.18Å; D54-L58 WeakPolarHBondContact O-CB 3.04Å; D54-L58 VanDerWaalsContact O-CG 3.27Å; D54-L58 WeakPolarHBondContact O-CG 3.27Å; D54-L58 PolarHBondContact O-N 3.33Å; L55-L58 HydrophobicContact CD2-CD1 4.49Å; L55-L58 PolarHBondContact O-N 3.46Å; L58-T60 VanDerWaalsContact C-N 3.27Å; L58-T60 PolarHBondContact O-N 3.5Å; L58-I61 HydrophobicContact CD2-CD1 4.24Å; L58-I61 PolarHBondContact O-N 3.12Å; L58-L62 PolarHBondContact O-N 3.46Å; L58-L70 HydrophobicContact CB-CD2 4.41Å; L58-L73 HydrophobicContact CD1-CD1 3.86Å
59K95.8Very high96.5Very high69 Ų6970.6 Ų70.630%0.338%0.376SS..Hα-helixtrans-62.5-32.6176.2-16972.8-171.8-169.10112.5L55 A56 Y57 V65 D67 L70L55-K59 PolarHBondContact O-N 3.28Å; A56-K59 PolarHBondContact O-N 3.04Å; Y57-K59 VanDerWaalsContact C-N 3.27Å; Y57-K59 PolarHBondContact O-N 3.13Å; K59-V65 PolarHBondContact NZ-O 3.46Å; K59-D67 WeakPolarHBondContact CE-OD1 3.2Å; K59-D67 IonicContact NZ-OD1 2.78Å; K59-D67 PolarHBondContact NZ-OD1 3.19Å; K59-L70 HydrophobicContact CB-CD1 4Å; K59-L70 HydrophobicContact CD-CD1 3.65Å; K59-L70 HydrophobicContact CG-CD1 4.3Å
60T96.5Very high96.5Very high101 Ų10164.5 Ų64.562%0.6235%0.35SS*.Hα-helixtrans-73.5-35.1179.374.80000112.7A56 Y57 L58A56-T60 WeakPolarHBondContact O-CG2 3.48Å; A56-T60 PolarHBondContact O-N 3.31Å; Y57-T60 PolarHBondContact O-N 3.21Å; Y57-T60 PolarHBondContact O-OG1 2.93Å; L58-T60 VanDerWaalsContact C-N 3.27Å; L58-T60 PolarHBondContact O-N 3.5Å
61I96.1Very high96.5Very high84 Ų8468.4 Ų68.443%0.43137%0.372SS..Hα-helixtrans-93.4-15.2-177.163.4162.1000114.3Y57 L58Y57-I61 HydrophobicContact CE1-CD1 3.96Å; Y57-I61 HydrophobicContact CE1-CG2 4.45Å; Y57-I61 HydrophobicContact CE2-CG2 3.97Å; Y57-I61 PolarHBondContact O-N 3.44Å; L58-I61 HydrophobicContact CD2-CD1 4.24Å; L58-I61 PolarHBondContact O-N 3.12Å
62L95.1Very high96.5Very high12 Ų1266.5 Ų66.56%0.06336%0.358CS..  trans-133.365.3177-65.4171.6000109.5M1 R2 L58 E64 V65M1-L62 HydrophobicContact CB-CD1 4.39Å; M1-L62 HydrophobicContact CG-CD1 3.69Å; R2-L62 HydrophobicContact CG-CD2 4.21Å; L58-L62 PolarHBondContact O-N 3.46Å; L62-E64 PolarHBondContact O-N 3.37Å; L62-V65 HydrophobicContact CB-CG1 3.97Å; L62-V65 HydrophobicContact CB-CG2 4.04Å; L62-V65 HydrophobicContact CD1-CG1 4.41Å; L62-V65 WeakPolarHBondContact O-CG2 3.23Å; L62-V65 PolarHBondContact O-N 3.18Å
63P93.7Very high96.5Very high91 Ų9161.6 Ų61.659%0.59133%0.331SS*.THydrogen-bonded Turntrans-59.3-22.4-176.825.8-35.7000113.5V65P63-V65 VanDerWaalsContact C-N 3.27Å; P63-V65 PolarHBondContact O-N 2.89Å
64E94.7Very high96.5Very high105 Ų10564.3 Ų64.349%0.49133%0.329SS..THydrogen-bonded Turntrans-73-10.8176.169.8-87.1-161.500114.8Y5 L62Y5-E64 PolarHBondContact OH-O 3.33Å; L62-E64 PolarHBondContact O-N 3.37Å
65V94.6Very high96.5Very high5 Ų564.8 Ų64.83%0.0334%0.338CS..SBendtrans-75.6130.9175.8-680000111.3Y5 K59 L62 P63 F69 L70Y5-V65 HydrophobicContact CD1-CG1 3.78Å; Y5-V65 HydrophobicContact CD2-CB 4.46Å; Y5-V65 HydrophobicContact CD2-CG1 3.97Å; Y5-V65 HydrophobicContact CE1-CG1 3.92Å; Y5-V65 HydrophobicContact CE2-CB 4.26Å; Y5-V65 HydrophobicContact CE2-CG1 4.14Å; Y5-V65 HydrophobicContact CG-CG1 3.78Å; K59-V65 PolarHBondContact NZ-O 3.46Å; L62-V65 HydrophobicContact CB-CG1 3.97Å; L62-V65 HydrophobicContact CB-CG2 4.04Å; L62-V65 HydrophobicContact CD1-CG1 4.41Å; L62-V65 WeakPolarHBondContact O-CG2 3.23Å; L62-V65 PolarHBondContact O-N 3.18Å; P63-V65 VanDerWaalsContact C-N 3.27Å; P63-V65 PolarHBondContact O-N 2.89Å; V65-F69 HydrophobicContact CB-CD1 4.11Å; V65-F69 HydrophobicContact CG1-CD1 4.08Å; V65-F69 HydrophobicContact CG1-CE1 4.37Å; V65-L70 HydrophobicContact CG2-CD2 4.13Å; V65-L70 HydrophobicContact CG2-CG 4.46Å
66Q96.4Very high96.5Very high88 Ų8864.9 Ų64.941%0.41134%0.339SS..  trans-65.3146.9176-70.317814.700111.4Y5 W8 E68 F69 L70Y5-Q66 PolarHBondContact OH-N 3.43Å; W8-Q66 HydrophobicContact CH2-CB 4.44Å; W8-Q66 HydrophobicContact CZ3-CB 4.29Å; Q66-E68 WeakPolarHBondContact CB-OE2 3.48Å; Q66-E68 PolarHBondContact O-N 2.94Å; Q66-F69 WeakPolarHBondContact O-CB 3.47Å; Q66-F69 PolarHBondContact O-N 3.48Å; Q66-L70 PolarHBondContact O-N 2.91Å
67D96.4Very high96.4Very high95 Ų9564.2 Ų64.251%0.50833%0.327SS..Hα-helixtrans-65.4-31.1-179-68-26.2000111.2K59 F69 L70 L71K59-D67 WeakPolarHBondContact CE-OD1 3.2Å; K59-D67 IonicContact NZ-OD1 2.78Å; K59-D67 PolarHBondContact NZ-OD1 3.19Å; D67-F69 VanDerWaalsContact C-N 3.25Å; D67-F69 PolarHBondContact O-N 2.87Å; D67-L70 WeakPolarHBondContact O-CB 3.12Å; D67-L70 PolarHBondContact O-N 2.92Å; D67-L71 WeakPolarHBondContact O-CG 3.4Å; D67-L71 PolarHBondContact O-N 3.44Å
68E97.3Very high96.5Very high113 Ų11357.3 Ų57.353%0.52830%0.3SS..Hα-helixtrans-60.8-34173-62.98117900112.2W8 Q66 L71 Y72W8-E68 HydrophobicContact CH2-CB 3.79Å; W8-E68 HydrophobicContact CZ2-CB 3.81Å; Q66-E68 WeakPolarHBondContact CB-OE2 3.48Å; Q66-E68 PolarHBondContact O-N 2.94Å; E68-L71 PolarHBondContact O-N 3.23Å; E68-Y72 PolarHBondContact O-N 3.43Å
69F97.8Very high96.5Very high2 Ų264 Ų641%0.00932%0.324CS..Hα-helixtrans-70.5-35.6173.4176.8-111000111.7M1 C4 Y5 W8 V65 Q66 D67 L71 Y72 L73M1-F69 HydrophobicContact SD-CE1 4.07Å; M1-F69 HydrophobicContact SD-CZ 4.15Å; C4-F69 HydrophobicContact CB-CZ 4.45Å; Y5-F69 HydrophobicContact CD2-CB 3.94Å; Y5-F69 AromaticContact CD2-CD1 3.62Å; Y5-F69 HydrophobicContact CD2-CD1 3.62Å; Y5-F69 AromaticContact CD2-CD2 3.88Å; Y5-F69 HydrophobicContact CD2-CD2 3.88Å; Y5-F69 HydrophobicContact CD2-CE1 4.04Å; Y5-F69 HydrophobicContact CD2-CE2 4.28Å; Y5-F69 AromaticContact CD2-CG 3.52Å; Y5-F69 HydrophobicContact CD2-CG 3.52Å; Y5-F69 HydrophobicContact CD2-CZ 4.35Å; Y5-F69 HydrophobicContact CE2-CB 3.99Å; Y5-F69 HydrophobicContact CE2-CD1 4.33Å; Y5-F69 HydrophobicContact CE2-CG 4.1Å; Y5-F69 HydrophobicContact CG-CD1 4.28Å; Y5-F69 HydrophobicContact CG-CE1 4.3Å; W8-F69 HydrophobicContact CB-CD2 3.63Å; W8-F69 HydrophobicContact CB-CE2 3.77Å; W8-F69 AromaticContact CD1-CD2 3.87Å; W8-F69 HydrophobicContact CD2-CB 4.07Å; W8-F69 AromaticContact CD2-CD2 3.76Å; W8-F69 HydrophobicContact CD2-CD2 3.76Å; W8-F69 HydrophobicContact CD2-CG 4.36Å; W8-F69 HydrophobicContact CE3-CB 4.01Å; W8-F69 HydrophobicContact CE3-CD2 4.24Å; W8-F69 HydrophobicContact CE3-CG 4.49Å; W8-F69 AromaticContact CG-CD2 3.46Å; W8-F69 HydrophobicContact CG-CD2 3.46Å; W8-F69 VanDerWaalsContact CG-CD2 3.46Å; W8-F69 HydrophobicContact CG-CE2 4.07Å; W8-F69 HydrophobicContact CG-CG 4.47Å; W8-F69 HydrophobicContact CH2-CB 4.41Å; W8-F69 HydrophobicContact CZ2-CB 4.45Å; W8-F69 HydrophobicContact CZ3-CB 4.19Å; V65-F69 HydrophobicContact CB-CD1 4.11Å; V65-F69 HydrophobicContact CG1-CD1 4.08Å; V65-F69 HydrophobicContact CG1-CE1 4.37Å; Q66-F69 WeakPolarHBondContact O-CB 3.47Å; Q66-F69 PolarHBondContact O-N 3.48Å; D67-F69 VanDerWaalsContact C-N 3.25Å; D67-F69 PolarHBondContact O-N 2.87Å; F69-L71 VanDerWaalsContact C-N 3.35Å; F69-Y72 AromaticContact CD2-CD1 3.8Å; F69-Y72 HydrophobicContact CD2-CD1 3.8Å; F69-Y72 AromaticContact CE2-CD1 3.75Å; F69-Y72 HydrophobicContact CE2-CD1 3.75Å; F69-Y72 HydrophobicContact CE2-CE1 4.11Å; F69-Y72 WeakPolarHBondContact O-CB 3.38Å; F69-Y72 PolarHBondContact O-N 3.34Å; F69-L73 HydrophobicContact CD1-CD1 4.17Å; F69-L73 HydrophobicContact CD1-CG 4.35Å; F69-L73 HydrophobicContact CE1-CD1 3.61Å; F69-L73 HydrophobicContact CE1-CD2 4.26Å; F69-L73 HydrophobicContact CE1-CG 3.91Å; F69-L73 HydrophobicContact CE2-CD2 4.15Å; F69-L73 HydrophobicContact CE2-CG 4.28Å; F69-L73 HydrophobicContact CZ-CD1 3.98Å; F69-L73 HydrophobicContact CZ-CD2 3.75Å; F69-L73 HydrophobicContact CZ-CG 3.87Å; F69-L73 WeakPolarHBondContact O-CG 3.42Å; F69-L73 PolarHBondContact O-N 3.35Å
70L97.4Very high96.5Very high20 Ų2063.2 Ų63.211%0.10534%0.336CS..Hα-helixtrans-67.4-37.6174.2-61.7-177.9000111.6L55 L58 K59 V65 Q66 D67 Y72 L73 K74L55-L70 HydrophobicContact CD2-CD2 4.36Å; L58-L70 HydrophobicContact CB-CD2 4.41Å; K59-L70 HydrophobicContact CB-CD1 4Å; K59-L70 HydrophobicContact CD-CD1 3.65Å; K59-L70 HydrophobicContact CG-CD1 4.3Å; V65-L70 HydrophobicContact CG2-CD2 4.13Å; V65-L70 HydrophobicContact CG2-CG 4.46Å; Q66-L70 PolarHBondContact O-N 2.91Å; D67-L70 WeakPolarHBondContact O-CB 3.12Å; D67-L70 PolarHBondContact O-N 2.92Å; L70-Y72 VanDerWaalsContact C-N 3.32Å; L70-L73 HydrophobicContact CD2-CD1 4.29Å; L70-L73 PolarHBondContact O-N 2.73Å; L70-K74 WeakPolarHBondContact O-CB 3.33Å; L70-K74 PolarHBondContact O-N 3.31Å
71L96.8Very high96.6Very high120 Ų12058.5 Ų58.563%0.62831%0.307SS*.Hα-helixtrans-62.7-39.6171.3-67.7176.2000111.7D67 E68 F69 K74 S75D67-L71 WeakPolarHBondContact O-CG 3.4Å; D67-L71 PolarHBondContact O-N 3.44Å; E68-L71 PolarHBondContact O-N 3.23Å; F69-L71 VanDerWaalsContact C-N 3.35Å; L71-K74 WeakPolarHBondContact O-CB 3.34Å; L71-K74 PolarHBondContact O-N 2.84Å; L71-S75 PolarHBondContact O-N 3.14Å
72Y97.4Very high96.7Very high23 Ų2355.7 Ų55.79%0.0929%0.294CS..Hα-helixtrans-60.4-51170.8166.6-107.9000111.7W8 H13 E14 E68 F69 L70 K74 S75 L76W8-Y72 AromaticContact CD1-CD1 3.69Å; W8-Y72 AromaticContact CD1-CG 3.82Å; W8-Y72 HydrophobicContact CG-CD1 4.5Å; W8-Y72 AromaticContact NE1-CG 3.91Å; H13-Y72 AromaticContact CD2-CE2 3.57Å; H13-Y72 AromaticContact CD2-CZ 3.54Å; E14-Y72 WeakPolarHBondContact OE1-CE2 3.21Å; E14-Y72 PolarHBondContact OE1-OH 3.09Å; E68-Y72 PolarHBondContact O-N 3.43Å; F69-Y72 AromaticContact CD2-CD1 3.8Å; F69-Y72 HydrophobicContact CD2-CD1 3.8Å; F69-Y72 AromaticContact CE2-CD1 3.75Å; F69-Y72 HydrophobicContact CE2-CD1 3.75Å; F69-Y72 HydrophobicContact CE2-CE1 4.11Å; F69-Y72 WeakPolarHBondContact O-CB 3.38Å; F69-Y72 PolarHBondContact O-N 3.34Å; L70-Y72 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 3.46Å; Y72-S75 PolarHBondContact O-N 3.5Å; Y72-S75 PolarHBondContact O-OG 3.44Å; Y72-L76 HydrophobicContact CD2-CD2 4.19Å; Y72-L76 HydrophobicContact CE1-CD1 3.97Å; Y72-L76 HydrophobicContact CE1-CD2 4.21Å; Y72-L76 HydrophobicContact CE1-CG 4.35Å; Y72-L76 HydrophobicContact CE2-CD2 3.54Å; Y72-L76 HydrophobicContact CE2-CG 4.37Å; Y72-L76 WeakPolarHBondContact O-CG 3.44Å; Y72-L76 PolarHBondContact O-N 3Å
73L98Very high96.9Very high1 Ų155.2 Ų55.21%0.00529%0.292CS..Hα-helixtrans-57.3-38.7177.2-69.6-177.6000112.2M1 F50 L55 L58 F69 L70 S75 L76 L110M1-L73 HydrophobicContact CE-CD1 4.07Å; M1-L73 HydrophobicContact SD-CD1 3.79Å; M1-L73 HydrophobicContact SD-CD2 4.34Å; F50-L73 HydrophobicContact CD2-CB 4.1Å; F50-L73 VanDerWaalsContact CD2-O 3.29Å; F50-L73 WeakPolarHBondContact CD2-O 3.17Å; F50-L73 HydrophobicContact CE2-CB 4.48Å; F50-L73 HydrophobicContact CE2-CD2 4.04Å; F50-L73 HydrophobicContact CG-CB 4.25Å; F50-L73 HydrophobicContact CZ-CD2 4.23Å; L55-L73 HydrophobicContact CD2-CB 3.69Å; L55-L73 HydrophobicContact CD2-CD1 4.21Å; L58-L73 HydrophobicContact CD1-CD1 3.86Å; F69-L73 HydrophobicContact CD1-CD1 4.17Å; F69-L73 HydrophobicContact CD1-CG 4.35Å; F69-L73 HydrophobicContact CE1-CD1 3.61Å; F69-L73 HydrophobicContact CE1-CD2 4.26Å; F69-L73 HydrophobicContact CE1-CG 3.91Å; F69-L73 HydrophobicContact CE2-CD2 4.15Å; F69-L73 HydrophobicContact CE2-CG 4.28Å; F69-L73 HydrophobicContact CZ-CD1 3.98Å; F69-L73 HydrophobicContact CZ-CD2 3.75Å; F69-L73 HydrophobicContact CZ-CG 3.87Å; F69-L73 WeakPolarHBondContact O-CG 3.42Å; F69-L73 PolarHBondContact O-N 3.35Å; L70-L73 HydrophobicContact CD2-CD1 4.29Å; L70-L73 PolarHBondContact O-N 2.73Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 2.96Å; L73-L76 HydrophobicContact CD2-CD1 3.87Å; L73-L76 WeakPolarHBondContact O-CB 3.32Å; L73-L76 PolarHBondContact O-N 3.29Å; L73-L110 HydrophobicContact CD2-CD1 4.16Å
74K97.8Very high97.1Very high108 Ų10852.8 Ų52.847%0.4727%0.271SS..Hα-helixtrans-62.3-32176.9-168.8166.8176.3161.40113.1D52 L55 L70 L71 Y72 L76D52-K74 WeakPolarHBondContact OD1-CE 3.37Å; D52-K74 IonicContact OD1-NZ 3.8Å; D52-K74 PolarHBondContact OD1-NZ 3.41Å; D52-K74 IonicContact OD2-NZ 3.6Å; L55-K74 HydrophobicContact CD1-CB 3.6Å; L55-K74 HydrophobicContact CD1-CD 3.96Å; L55-K74 HydrophobicContact CD1-CG 3.9Å; L70-K74 WeakPolarHBondContact O-CB 3.33Å; L70-K74 PolarHBondContact O-N 3.31Å; L71-K74 WeakPolarHBondContact O-CB 3.34Å; L71-K74 PolarHBondContact O-N 2.84Å; Y72-K74 PolarHBondContact O-N 3.46Å; K74-L76 VanDerWaalsContact C-N 3.34Å
75S96.5Very high97.2Very high82 Ų8247.8 Ų47.857%0.57325%0.248SC*.Hα-helixtrans-84.5-9.3-179.873.90000113.6L71 Y72 L73L71-S75 PolarHBondContact O-N 3.14Å; Y72-S75 PolarHBondContact O-N 3.5Å; Y72-S75 PolarHBondContact O-OG 3.44Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 2.96Å
76L97Very high97.4Very high15 Ų1547.6 Ų47.68%0.07925%0.247CC..  trans-70.9137.8-176.9-67.6-173.4000113.2F48 F50 Y72 L73 K74 V107 L110F48-L76 HydrophobicContact CE1-CB 4.23Å; F50-L76 HydrophobicContact CE2-CD1 4.35Å; Y72-L76 HydrophobicContact CD2-CD2 4.19Å; Y72-L76 HydrophobicContact CE1-CD1 3.97Å; Y72-L76 HydrophobicContact CE1-CD2 4.21Å; Y72-L76 HydrophobicContact CE1-CG 4.35Å; Y72-L76 HydrophobicContact CE2-CD2 3.54Å; Y72-L76 HydrophobicContact CE2-CG 4.37Å; Y72-L76 WeakPolarHBondContact O-CG 3.44Å; Y72-L76 PolarHBondContact O-N 3Å; L73-L76 HydrophobicContact CD2-CD1 3.87Å; L73-L76 WeakPolarHBondContact O-CB 3.32Å; L73-L76 PolarHBondContact O-N 3.29Å; K74-L76 VanDerWaalsContact C-N 3.34Å; L76-V107 HydrophobicContact CD1-CG2 4.37Å; L76-V107 HydrophobicContact CD2-CG2 3.76Å; L76-L110 HydrophobicContact CD1-CD1 3.62Å
77D96.1Very high97.4Very high46 Ų4647.5 Ų47.525%0.24624%0.243CC..  trans-148.3-174164.462.248.9000110R79D77-R79 VanDerWaalsContact CG-NE 3.35Å; D77-R79 WeakPolarHBondContact OD1-CB 3.39Å; D77-R79 WeakPolarHBondContact OD1-CG 3.47Å; D77-R79 PolarHBondContact OD1-N 3.33Å; D77-R79 IonicContact OD1-NE 3.1Å; D77-R79 PolarHBondContact OD1-NE 2.98Å; D77-R79 IonicContact OD2-CZ 2.83Å; D77-R79 IonicContact OD2-NE 3.44Å; D77-R79 PolarHBondContact OD2-NE 3.36Å; D77-R79 IonicContact OD2-NH2 3.74Å; D77-R79 PolarHBondContact OD2-NH2 3.33Å
78C97.8Very high97.5Very high3 Ų343.6 Ų43.62%0.0222%0.221CC..SBendtrans-98.415.2-179.4-660000114.5L45 F48 G80 L81 W470L45-C78 HydrophobicContact CB-CB 4.1Å; L45-C78 HydrophobicContact CD2-CB 4.36Å; L45-C78 WeakPolarHBondContact O-CB 3.29Å; F48-C78 VanDerWaalsContact CB-SG 3.57Å; C78-G80 VanDerWaalsContact C-N 3.35Å; C78-G80 PolarHBondContact O-N 3.41Å; C78-L81 HydrophobicContact CB-CD1 3.86Å; C78-L81 HydrophobicContact CB-CG 4.37Å; C78-L81 PolarHBondContact O-N 3.47Å; C78-W470 HydrophobicContact CB-CZ2 3.92Å; C78-W470 PolarHBondContact O-NE1 2.85Å
79R96.8Very high97.5Very high161 Ų16138.2 Ų38.261%0.60820%0.196SC*.THydrogen-bonded Turntrans-67.1-34.9-179-71.3-179.5-72.9178.4-3.4113.1D77 L81 N472D77-R79 VanDerWaalsContact CG-NE 3.35Å; D77-R79 WeakPolarHBondContact OD1-CB 3.39Å; D77-R79 WeakPolarHBondContact OD1-CG 3.47Å; D77-R79 PolarHBondContact OD1-N 3.33Å; D77-R79 IonicContact OD1-NE 3.1Å; D77-R79 PolarHBondContact OD1-NE 2.98Å; D77-R79 IonicContact OD2-CZ 2.83Å; D77-R79 IonicContact OD2-NE 3.44Å; D77-R79 PolarHBondContact OD2-NE 3.36Å; D77-R79 IonicContact OD2-NH2 3.74Å; D77-R79 PolarHBondContact OD2-NH2 3.33Å; R79-L81 PolarHBondContact O-N 3.42Å; R79-N472 WeakPolarHBondContact O-CA 3.24Å
80G96.4Very high97.5Very high53 Ų5338.9 Ų38.955%0.54620%0.2SC..THydrogen-bonded Turntrans-74.71.8177.400000114.9C78C78-G80 VanDerWaalsContact C-N 3.35Å; C78-G80 PolarHBondContact O-N 3.41Å
81L98.4Very high97.6Very high2 Ų237.9 Ų37.91%0.0120%0.195CC..  trans-95143.4-179.7-56.7-177.5000111.9L45 C78 R79 V83 V101 E102 V107 L111L45-L81 HydrophobicContact CD2-CD1 4.23Å; C78-L81 HydrophobicContact CB-CD1 3.86Å; C78-L81 HydrophobicContact CB-CG 4.37Å; C78-L81 PolarHBondContact O-N 3.47Å; R79-L81 PolarHBondContact O-N 3.42Å; L81-V83 HydrophobicContact CB-CG2 4.42Å; L81-V101 HydrophobicContact CD1-CG1 4.39Å; L81-V101 HydrophobicContact CD2-CG1 4.42Å; L81-E102 CarbonylContact C-O 3.53Å; L81-E102 WeakPolarHBondContact CA-O 3.39Å; L81-V107 HydrophobicContact CD1-CG1 3.96Å; L81-V107 HydrophobicContact CD2-CB 4.31Å; L81-V107 HydrophobicContact CD2-CG1 4Å; L81-V107 HydrophobicContact CG-CG1 4.22Å; L81-L111 HydrophobicContact CD1-CD1 3.45Å; L81-L111 VanDerWaalsContact CD1-CD1 3.45Å
82S98.4Very high97.7Very high24 Ų2432.2 Ų32.217%0.16817%0.165CC..EExtended strand (participates in β ladder)trans-112.9124.9158-630000108.7E102 W470S82-E102 PolarHBondContact N-O 3.49Å; S82-E102 PolarHBondContact O-N 3.02Å; S82-W470 WeakPolarHBondContact CA-O 3.25Å
83V98.6Very high97.7Very high3 Ų331.2 Ų31.22%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-119.4130.3179.2-171.60000110L45 L81 I99 T100 V101 V469 W470L45-V83 HydrophobicContact CD1-CG2 3.75Å; L81-V83 HydrophobicContact CB-CG2 4.42Å; V83-I99 HydrophobicContact CG1-CG2 3.43Å; V83-I99 VanDerWaalsContact CG1-CG2 3.43Å; V83-T100 CarbonylContact C-O 3.57Å; V83-T100 WeakPolarHBondContact CA-O 3.48Å; V83-V101 HydrophobicContact CG1-CG2 4.26Å; V83-V101 HydrophobicContact CG2-CG1 4.31Å; V83-V101 HydrophobicContact CG2-CG2 4.43Å; V83-V469 HydrophobicContact CB-CG2 4.24Å; V83-V469 HydrophobicContact CG1-CG2 4.09Å; V83-V469 VanDerWaalsContact O-CG2 3.24Å; V83-V469 WeakPolarHBondContact O-CG2 3.32Å; V83-V469 PolarHBondContact O-N 3.5Å; V83-W470 HydrophobicContact CB-CB 3.73Å; V83-W470 HydrophobicContact CG2-CB 3.92Å; V83-W470 HydrophobicContact CG2-CG 4.26Å; V83-W470 PolarHBondContact N-O 3.21Å; V83-W470 PolarHBondContact O-N 2.61Å
84Y98.3Very high97.6Very high40 Ų4032.6 Ų32.616%0.15717%0.171CC..EExtended strand (participates in β ladder)trans-108.5141171.7-55.5-101.7000108.7I99 T100 E102 R432 Q467 L468Y84-I99 CarbonylContact O-C 3.58Å; Y84-I99 VanDerWaalsContact O-CA 3.28Å; Y84-I99 WeakPolarHBondContact O-CA 3.41Å; Y84-T100 PolarHBondContact N-O 3.32Å; Y84-T100 PolarHBondContact O-N 2.93Å; Y84-E102 HydrophobicContact CD2-CG 4.46Å; Y84-E102 HydrophobicContact CE2-CG 4.22Å; Y84-E102 WeakPolarHBondContact CE2-OE2 3.4Å; Y84-R432 VanDerWaalsContact CZ-NH2 3.32Å; Y84-R432 PolarHBondContact OH-NH2 2.96Å; Y84-Q467 CarbonylContact C-O 3.56Å; Y84-Q467 WeakPolarHBondContact CA-O 3.45Å; Y84-L468 HydrophobicContact CD1-CB 4Å; Y84-L468 HydrophobicContact CD1-CD1 4.18Å; Y84-L468 HydrophobicContact CD2-CD1 4.44Å; Y84-L468 HydrophobicContact CE1-CB 3.82Å; Y84-L468 HydrophobicContact CE1-CD1 3.73Å; Y84-L468 HydrophobicContact CE1-CG 4.34Å; Y84-L468 HydrophobicContact CE2-CD1 3.99Å
85G97.9Very high97.5Very high0 Ų028.9 Ų28.90%016%0.155CC..EExtended strand (participates in β ladder)trans-147.7151.5-178.400000112.4L98 Q467G85-L98 WeakPolarHBondContact CA-O 3.07Å; G85-Q467 PolarHBondContact N-O 2.81Å; G85-Q467 PolarHBondContact O-N 3.27Å
86I98.2Very high97.6Very high0 Ų025 Ų250%013%0.127CC..EExtended strand (participates in β ladder)trans-73.7143.7165.4-58.8179.3000108.4F35 L38 T90 V92 L98 L400 L465 Q466F35-I86 HydrophobicContact CD1-CB 3.92Å; F35-I86 HydrophobicContact CD1-CG2 4.24Å; F35-I86 WeakPolarHBondContact CD1-O 3.34Å; F35-I86 HydrophobicContact CE1-CB 4.25Å; F35-I86 WeakPolarHBondContact CE1-O 3.43Å; L38-I86 VanDerWaalsContact CD2-O 3.28Å; L38-I86 WeakPolarHBondContact CD2-O 3.25Å; I86-T90 HydrophobicContact CG2-CG2 3.87Å; I86-V92 HydrophobicContact CD1-CG1 3.69Å; I86-V92 HydrophobicContact CG2-CG1 4.06Å; I86-L98 HydrophobicContact CD1-CD2 3.96Å; I86-L98 PolarHBondContact N-O 3.36Å; I86-L400 HydrophobicContact CD1-CD2 3.78Å; I86-L465 WeakPolarHBondContact CA-O 3.29Å; I86-L465 HydrophobicContact CD1-CB 4.35Å; I86-L465 HydrophobicContact CG1-CB 4.21Å; I86-Q466 HydrophobicContact CG1-CG 4.06Å
87R96.8Very high97.6Very high87 Ų8724.3 Ų24.333%0.32812%0.124SC..PPolyproline II helixtrans-65.7138.9177.1-67-178.877.3151.81.6111.2T90 E480R87-T90 VanDerWaalsContact O-CB 3.3Å; R87-T90 WeakPolarHBondContact O-CB 3.36Å; R87-T90 PolarHBondContact O-N 3.38Å; R87-T90 PolarHBondContact O-OG1 2.99Å; R87-E480 IonicContact CZ-OE1 2.83Å; R87-E480 IonicContact NE-OE2 3.93Å; R87-E480 IonicContact NH2-OE1 3.02Å; R87-E480 PolarHBondContact NH2-OE1 2.75Å; R87-E480 IonicContact NH2-OE2 2.68Å
88E97.5Very high97.7Very high12 Ų1222.1 Ų22.16%0.05611%0.112CC..THydrogen-bonded Turntrans-56.7146.6175.9-65.7-162.3146.400111.4F35 G37 L38 Q39 T90 V485 R488F35-E88 CarbonylContact O-C 3.6Å; F35-E88 WeakPolarHBondContact O-CA 3.39Å; G37-E88 VanDerWaalsContact CA-OE1 3.32Å; G37-E88 WeakPolarHBondContact CA-OE1 3.38Å; G37-E88 PolarHBondContact N-OE1 2.87Å; L38-E88 HydrophobicContact CB-CG 3.78Å; L38-E88 PolarHBondContact N-OE1 3.28Å; Q39-E88 PolarHBondContact N-OE1 3.1Å; E88-T90 VanDerWaalsContact C-N 3.3Å; E88-V485 HydrophobicContact CB-CG1 3.77Å; E88-R488 VanDerWaalsContact O-CD 3.28Å; E88-R488 WeakPolarHBondContact O-CD 3.46Å; E88-R488 PolarHBondContact O-NH1 3.5Å
89G98Very high97.8Very high0 Ų022 Ų220%011%0.111CC..THydrogen-bonded Turntrans82.65.2-177.200000114.2F35 R488 V489F35-G89 PolarHBondContact O-N 3.37Å; G89-R488 CarbonylContact O-C 3.53Å; G89-V489 VanDerWaalsContact O-CA 3.23Å; G89-V489 WeakPolarHBondContact O-CA 3.48Å; G89-V489 PolarHBondContact O-N 2.82Å
90T98.3Very high97.8Very high16 Ų1614.6 Ų14.610%0.0988%0.084CC..  trans-85.6137174.3-52.90000110.3F35 I86 R87 E88 L465F35-T90 PolarHBondContact N-O 3.03Å; I86-T90 HydrophobicContact CG2-CG2 3.87Å; R87-T90 VanDerWaalsContact O-CB 3.3Å; R87-T90 WeakPolarHBondContact O-CB 3.36Å; R87-T90 PolarHBondContact O-N 3.38Å; R87-T90 PolarHBondContact O-OG1 2.99Å; E88-T90 VanDerWaalsContact C-N 3.3Å; T90-L465 HydrophobicContact CG2-CD2 4.35Å
91I98.2Very high97.9Very high0 Ų012.1 Ų12.10%06%0.058CC..EExtended strand (participates in β ladder)trans-69.6129.6168.5-61.8-72.3000108.9F32 T33 I34 F93 R402 S492 F493 I496F32-I91 HydrophobicContact CB-CD1 4.48Å; F32-I91 HydrophobicContact CB-CG2 3.78Å; F32-I91 HydrophobicContact CD2-CD1 3.54Å; F32-I91 HydrophobicContact CE2-CD1 4.12Å; F32-I91 HydrophobicContact CG-CD1 4.3Å; T33-I91 CarbonylContact O-C 3.54Å; T33-I91 VanDerWaalsContact O-CA 3.32Å; T33-I91 WeakPolarHBondContact O-CA 3.36Å; I34-I91 HydrophobicContact CD1-CD1 4.37Å; I34-I91 HydrophobicContact CG1-CD1 3.49Å; I34-I91 VanDerWaalsContact CG1-CD1 3.49Å; I91-F93 HydrophobicContact CG2-CE1 4.07Å; I91-F93 HydrophobicContact CG2-CE2 4.25Å; I91-F93 HydrophobicContact CG2-CZ 3.73Å; I91-R402 PolarHBondContact O-NH1 3.04Å; I91-R402 PolarHBondContact O-NH2 3.24Å; I91-S492 PolarHBondContact N-OG 2.98Å; I91-F493 HydrophobicContact CD1-CD2 4.19Å; I91-F493 HydrophobicContact CG1-CB 4.48Å; I91-I496 HydrophobicContact CB-CD1 4.39Å; I91-I496 HydrophobicContact CB-CG1 3.97Å; I91-I496 HydrophobicContact CG1-CG1 4.16Å; I91-I496 HydrophobicContact CG2-CD1 4.29Å; I91-I496 HydrophobicContact CG2-CG1 3.83Å
92V98.5Very high98Very high0 Ų012.5 Ų12.50%06%0.06CC..EExtended strand (participates in β ladder)trans-132.6162.6-177.3-65.70000110.7F23 T33 F35 I86 E96 L98F23-V92 HydrophobicContact CE1-CB 4.41Å; F23-V92 HydrophobicContact CE1-CG2 3.72Å; F23-V92 HydrophobicContact CZ-CG2 4.17Å; T33-V92 HydrophobicContact CG2-CG2 4.29Å; T33-V92 PolarHBondContact N-O 3.05Å; T33-V92 VanDerWaalsContact N-O 3.16Å; T33-V92 WeakPolarHBondContact O-CG2 3.46Å; T33-V92 PolarHBondContact O-N 3.25Å; F35-V92 HydrophobicContact CB-CB 4.45Å; F35-V92 HydrophobicContact CB-CG1 3.8Å; F35-V92 HydrophobicContact CB-CG2 3.76Å; I86-V92 HydrophobicContact CD1-CG1 3.69Å; I86-V92 HydrophobicContact CG2-CG1 4.06Å; V92-E96 WeakPolarHBondContact CA-OE2 3.19Å; V92-E96 WeakPolarHBondContact CB-OE2 3.19Å; V92-L98 HydrophobicContact CB-CD2 3.69Å; V92-L98 HydrophobicContact CG1-CD2 3.8Å; V92-L98 HydrophobicContact CG2-CD2 3.69Å
93F98Very high98Very high2 Ų211.4 Ų11.41%0.0095%0.052CC..  trans-130163.1-173-54.3-76.4000112.3E31 F32 I91 E96 R402 I496 Y509E31-F93 WeakPolarHBondContact O-CD1 3.24Å; E31-F93 WeakPolarHBondContact O-CE1 3.27Å; F32-F93 HydrophobicContact CB-CE1 4.24Å; I91-F93 HydrophobicContact CG2-CE1 4.07Å; I91-F93 HydrophobicContact CG2-CE2 4.25Å; I91-F93 HydrophobicContact CG2-CZ 3.73Å; F93-E96 WeakPolarHBondContact CB-OE1 3.47Å; F93-E96 WeakPolarHBondContact CD2-OE1 3.43Å; F93-E96 PolarHBondContact N-OE2 3.44Å; F93-E96 WeakPolarHBondContact O-CB 3.28Å; F93-E96 WeakPolarHBondContact O-CG 3.26Å; F93-E96 PolarHBondContact O-N 3.2Å; F93-R402 VanDerWaalsContact CE2-NH2 3.33Å; F93-I496 HydrophobicContact CE2-CD1 4.27Å; F93-I496 HydrophobicContact CZ-CD1 3.99Å; F93-I496 HydrophobicContact CZ-CG1 4.36Å; F93-I496 HydrophobicContact CZ-CG2 4.24Å; F93-Y509 HydrophobicContact CB-CD1 4.24Å; F93-Y509 AromaticContact CD1-CD1 3.89Å; F93-Y509 HydrophobicContact CD1-CD1 3.89Å; F93-Y509 AromaticContact CD1-CG 3.7Å; F93-Y509 HydrophobicContact CD1-CG 3.7Å; F93-Y509 AromaticContact CD2-CD1 3.2Å; F93-Y509 HydrophobicContact CD2-CD1 3.2Å; F93-Y509 HydrophobicContact CD2-CD2 4.49Å; F93-Y509 AromaticContact CD2-CE1 3.48Å; F93-Y509 HydrophobicContact CD2-CE1 3.48Å; F93-Y509 VanDerWaalsContact CD2-CE1 3.48Å; F93-Y509 AromaticContact CD2-CG 3.76Å; F93-Y509 HydrophobicContact CD2-CG 3.76Å; F93-Y509 AromaticContact CE1-CD1 3.98Å; F93-Y509 HydrophobicContact CE1-CD1 3.98Å; F93-Y509 AromaticContact CE1-CD2 3.89Å; F93-Y509 HydrophobicContact CE1-CD2 3.89Å; F93-Y509 AromaticContact CE1-CG 3.46Å; F93-Y509 HydrophobicContact CE1-CG 3.46Å; F93-Y509 VanDerWaalsContact CE1-CG 3.46Å; F93-Y509 AromaticContact CE2-CD1 3.3Å; F93-Y509 HydrophobicContact CE2-CD1 3.3Å; F93-Y509 AromaticContact CE2-CD2 3.8Å; F93-Y509 HydrophobicContact CE2-CD2 3.8Å; F93-Y509 AromaticContact CE2-CE1 3.36Å; F93-Y509 HydrophobicContact CE2-CE1 3.36Å; F93-Y509 AromaticContact CE2-CE2 3.86Å; F93-Y509 HydrophobicContact CE2-CE2 3.86Å; F93-Y509 AromaticContact CE2-CG 3.51Å; F93-Y509 HydrophobicContact CE2-CG 3.51Å; F93-Y509 AromaticContact CE2-CZ 3.64Å; F93-Y509 AromaticContact CG-CD1 3.5Å; F93-Y509 HydrophobicContact CG-CD1 3.5Å; F93-Y509 VanDerWaalsContact CG-CD1 3.5Å; F93-Y509 HydrophobicContact CG-CE1 4.24Å; F93-Y509 AromaticContact CG-CG 3.83Å; F93-Y509 HydrophobicContact CG-CG 3.83Å; F93-Y509 AromaticContact CZ-CD1 3.7Å; F93-Y509 HydrophobicContact CZ-CD1 3.7Å; F93-Y509 AromaticContact CZ-CD2 3.45Å; F93-Y509 HydrophobicContact CZ-CD2 3.45Å; F93-Y509 VanDerWaalsContact CZ-CD2 3.45Å; F93-Y509 HydrophobicContact CZ-CE1 4.06Å; F93-Y509 AromaticContact CZ-CE2 3.85Å; F93-Y509 HydrophobicContact CZ-CE2 3.85Å; F93-Y509 AromaticContact CZ-CG 3.35Å; F93-Y509 HydrophobicContact CZ-CG 3.35Å
94P96.6Very high97.9Very high31 Ų3112.5 Ų12.520%0.2016%0.059CC..THydrogen-bonded Turntrans-55.7144-177.3-29.136.8000113.7F23 R24 N26 E96 L511F23-P94 HydrophobicContact CD2-CG 4.33Å; F23-P94 HydrophobicContact CE2-CB 4.3Å; F23-P94 HydrophobicContact CE2-CG 3.77Å; F23-P94 CarbonylContact O-C 3.56Å; F23-P94 WeakPolarHBondContact O-CA 3.17Å; R24-P94 WeakPolarHBondContact O-CB 3.39Å; N26-P94 WeakPolarHBondContact ND2-CD 3.23Å; P94-E96 PolarHBondContact O-N 2.86Å; P94-L511 VanDerWaalsContact O-CD2 3.28Å; P94-L511 WeakPolarHBondContact O-CD2 3.46Å
95K95.4Very high97.9Very high30 Ų3010.7 Ų10.713%0.135%0.052CC..THydrogen-bonded Turntrans66.74.2-179.5-52.2-171.5178.7-136.30115.8F23 I389 S390 A392 F449 L511F23-K95 PolarHBondContact O-N 3.37Å; K95-I389 PolarHBondContact NZ-O 2.86Å; K95-S390 WeakPolarHBondContact CE-O 3.28Å; K95-S390 PolarHBondContact NZ-O 3.23Å; K95-S390 VanDerWaalsContact NZ-O 3.1Å; K95-A392 PolarHBondContact NZ-O 3.48Å; K95-F449 HydrophobicContact CD-CE2 4.1Å; K95-L511 HydrophobicContact CB-CD2 3.68Å
96E97.7Very high97.9Very high0 Ų010.7 Ų10.70%05%0.052CC..  trans-73129.9167-70.1174.4-178.600110.5F22 V92 F93 P94 L98 L400 D427 L511F22-E96 WeakPolarHBondContact CB-O 3.46Å; V92-E96 WeakPolarHBondContact CA-OE2 3.19Å; V92-E96 WeakPolarHBondContact CB-OE2 3.19Å; F93-E96 WeakPolarHBondContact CB-OE1 3.47Å; F93-E96 WeakPolarHBondContact CD2-OE1 3.43Å; F93-E96 PolarHBondContact N-OE2 3.44Å; F93-E96 WeakPolarHBondContact O-CB 3.28Å; F93-E96 WeakPolarHBondContact O-CG 3.26Å; F93-E96 PolarHBondContact O-N 3.2Å; P94-E96 PolarHBondContact O-N 2.86Å; E96-L98 PolarHBondContact O-N 3.42Å; E96-L400 HydrophobicContact CB-CD2 3.76Å; E96-L400 HydrophobicContact CG-CD1 3.97Å; E96-L400 HydrophobicContact CG-CD2 3.87Å; E96-D427 WeakPolarHBondContact OE1-CB 3.45Å; E96-L511 HydrophobicContact CG-CD1 3.8Å
97P97.8Very high97.9Very high0 Ų011 Ų110%05%0.054CC..  trans-68.3102.7174.129.1-33.8000109.3E20 L429 Q466E20-P97 HydrophobicContact CB-CB 4.31Å; E20-P97 HydrophobicContact CG-CB 3.97Å; P97-L429 HydrophobicContact CG-CD2 4.17Å; P97-Q466 PolarHBondContact O-NE2 2.78Å
98L98.5Very high98Very high0 Ų06.8 Ų6.80%04%0.039CC..SBendtrans-72.6-43.5-179.3-55.8-179.2000111L21 F23 F35 G85 I86 V92 E96 V119L21-L98 HydrophobicContact CD2-CB 4.46Å; L21-L98 HydrophobicContact CD2-CD1 4.21Å; L21-L98 WeakPolarHBondContact O-CB 3.32Å; L21-L98 PolarHBondContact O-N 3.19Å; F23-L98 HydrophobicContact CD1-CD1 3.76Å; F23-L98 HydrophobicContact CD1-CG 4.44Å; F23-L98 HydrophobicContact CE1-CD1 4.14Å; F23-L98 HydrophobicContact CE1-CD2 4.23Å; F35-L98 HydrophobicContact CD2-CB 3.96Å; F35-L98 HydrophobicContact CD2-CD1 3.7Å; F35-L98 HydrophobicContact CD2-CD2 4.21Å; F35-L98 HydrophobicContact CD2-CG 4.17Å; F35-L98 HydrophobicContact CE2-CB 3.65Å; F35-L98 HydrophobicContact CE2-CD1 3.9Å; F35-L98 HydrophobicContact CE2-CG 4.3Å; F35-L98 HydrophobicContact CZ-CB 4.12Å; G85-L98 WeakPolarHBondContact CA-O 3.07Å; I86-L98 HydrophobicContact CD1-CD2 3.96Å; I86-L98 PolarHBondContact N-O 3.36Å; V92-L98 HydrophobicContact CB-CD2 3.69Å; V92-L98 HydrophobicContact CG1-CD2 3.8Å; V92-L98 HydrophobicContact CG2-CD2 3.69Å; E96-L98 PolarHBondContact O-N 3.42Å; L98-V119 HydrophobicContact CD1-CG1 4.3Å
99I98.6Very high98Very high2 Ų27.2 Ų7.21%0.014%0.041CC..EExtended strand (participates in β ladder)trans-133.9129.8174.6-55-179.4000108E20 L21 F35 L38 C41 V83 Y84 V101 V119E20-I99 CarbonylContact C-O 3.56Å; E20-I99 WeakPolarHBondContact CA-O 3.24Å; L21-I99 HydrophobicContact CB-CB 4.08Å; L21-I99 PolarHBondContact N-O 3.12Å; L21-I99 PolarHBondContact O-N 2.93Å; F35-I99 HydrophobicContact CE2-CG1 4.43Å; F35-I99 HydrophobicContact CZ-CD1 4.04Å; F35-I99 HydrophobicContact CZ-CG1 3.77Å; L38-I99 HydrophobicContact CD1-CD1 3.88Å; L38-I99 HydrophobicContact CD1-CG1 4.21Å; C41-I99 HydrophobicContact CB-CD1 4.44Å; V83-I99 HydrophobicContact CG1-CG2 3.43Å; V83-I99 VanDerWaalsContact CG1-CG2 3.43Å; Y84-I99 CarbonylContact O-C 3.58Å; Y84-I99 VanDerWaalsContact O-CA 3.28Å; Y84-I99 WeakPolarHBondContact O-CA 3.41Å; I99-V101 HydrophobicContact CG2-CG2 3.99Å; I99-V119 HydrophobicContact CD1-CG2 3.82Å
100T98.6Very high98Very high5 Ų58.8 Ų8.83%0.0315%0.049CC..EExtended strand (participates in β ladder)trans-112122.1170.9-55.20000108.6V18 F19 E20 V83 Y84 E102 Q466V18-T100 HydrophobicContact CG1-CG2 3.62Å; F19-T100 CarbonylContact O-C 3.57Å; F19-T100 WeakPolarHBondContact O-CA 3.09Å; E20-T100 HydrophobicContact CG-CG2 4.23Å; V83-T100 CarbonylContact C-O 3.57Å; V83-T100 WeakPolarHBondContact CA-O 3.48Å; Y84-T100 PolarHBondContact N-O 3.32Å; Y84-T100 PolarHBondContact O-N 2.93Å; T100-E102 HydrophobicContact CG2-CG 4.17Å; T100-Q466 PolarHBondContact OG1-NE2 3.17Å
101V98.7Very high98Very high1 Ų18 Ų81%0.0064%0.044CC..EExtended strand (participates in β ladder)trans-110.1119.3-179.9-175.20000108.7V18 F19 L81 V83 I99 L115 Y372V18-V101 WeakPolarHBondContact CA-O 3.27Å; F19-V101 PolarHBondContact N-O 3.28Å; F19-V101 PolarHBondContact O-N 3.39Å; L81-V101 HydrophobicContact CD1-CG1 4.39Å; L81-V101 HydrophobicContact CD2-CG1 4.42Å; V83-V101 HydrophobicContact CG1-CG2 4.26Å; V83-V101 HydrophobicContact CG2-CG1 4.31Å; V83-V101 HydrophobicContact CG2-CG2 4.43Å; I99-V101 HydrophobicContact CG2-CG2 3.99Å; V101-L115 HydrophobicContact CG2-CD1 3.96Å; V101-Y372 WeakPolarHBondContact CB-OH 3.27Å; V101-Y372 HydrophobicContact CG2-CE2 4.01Å
102E98.6Very high98Very high9 Ų910.1 Ų10.14%0.0425%0.054CC..EExtended strand (participates in β ladder)trans-116.5131.4-179.6-50.4-171156.500109.7F16 A17 V18 L81 S82 Y84 T100 R397 R432F16-E102 HydrophobicContact CE2-CB 4.4Å; F16-E102 HydrophobicContact CZ-CB 3.82Å; A17-E102 WeakPolarHBondContact O-CA 3.48Å; V18-E102 HydrophobicContact CG1-CG 4.16Å; V18-E102 HydrophobicContact CG2-CG 4.13Å; L81-E102 CarbonylContact C-O 3.53Å; L81-E102 WeakPolarHBondContact CA-O 3.39Å; S82-E102 PolarHBondContact N-O 3.49Å; S82-E102 PolarHBondContact O-N 3.02Å; Y84-E102 HydrophobicContact CD2-CG 4.46Å; Y84-E102 HydrophobicContact CE2-CG 4.22Å; Y84-E102 WeakPolarHBondContact CE2-OE2 3.4Å; T100-E102 HydrophobicContact CG2-CG 4.17Å; E102-R397 WeakPolarHBondContact OE1-CD 3.35Å; E102-R432 IonicContact OE1-CZ 3.69Å; E102-R432 IonicContact OE1-NH1 3.99Å; E102-R432 PolarHBondContact OE1-NH1 2.8Å; E102-R432 IonicContact OE2-NH1 2.72Å; E102-R432 PolarHBondContact OE2-NH1 3Å
103G98.4Very high98Very high1 Ų113.7 Ų13.71%0.018%0.083CC..EExtended strand (participates in β ladder)trans155.2-162.7178.200000113.7A17 L105A17-G103 PolarHBondContact N-O 3.17Å; A17-G103 PolarHBondContact O-N 3.43Å; G103-L105 PolarHBondContact O-N 3.37Å
104P98.3Very high97.9Very high26 Ų2615.4 Ų15.417%0.16910%0.098CC..EExtended strand (participates in β ladder)trans-57.8129.6-179.3-25.835.3000112.6G106 V107 C108P104-G106 PolarHBondContact O-N 2.55Å; P104-V107 HydrophobicContact CB-CG2 4.28Å; P104-V107 PolarHBondContact O-N 3.39Å; P104-V107 VanDerWaalsContact O-N 3.1Å; P104-C108 PolarHBondContact O-N 2.66Å; P104-C108 PolarHBondContact O-SG 3.26Å; P104-C108 VanDerWaalsContact O-SG 3.41Å
105L98.5Very high98Very high2 Ų214.1 Ų14.11%0.019%0.089CC..Hα-helixtrans-51.1-42.6-176.6176.660.1000112.7Y7 K12 H13 D15 A17 F19 G103 Q109 L377Y7-L105 HydrophobicContact CD1-CD2 4.02Å; Y7-L105 HydrophobicContact CD2-CD2 4.04Å; Y7-L105 HydrophobicContact CD2-CG 3.97Å; Y7-L105 HydrophobicContact CE1-CD2 4.06Å; Y7-L105 HydrophobicContact CE2-CD1 4.18Å; Y7-L105 HydrophobicContact CE2-CD2 4.07Å; Y7-L105 HydrophobicContact CE2-CG 3.99Å; Y7-L105 HydrophobicContact CG-CD2 4.02Å; Y7-L105 HydrophobicContact CG-CG 4.4Å; K12-L105 HydrophobicContact CB-CD2 4.22Å; H13-L105 PolarHBondContact O-N 2.87Å; D15-L105 HydrophobicContact CB-CB 4.34Å; D15-L105 WeakPolarHBondContact O-CB 3.38Å; D15-L105 PolarHBondContact O-N 3.01Å; A17-L105 HydrophobicContact CB-CB 4.03Å; A17-L105 HydrophobicContact CB-CD1 3.81Å; F19-L105 HydrophobicContact CE2-CD1 3.76Å; F19-L105 HydrophobicContact CZ-CD1 3.82Å; G103-L105 PolarHBondContact O-N 3.37Å; L105-Q109 WeakPolarHBondContact O-CB 3.4Å; L105-Q109 PolarHBondContact O-N 3.19Å; L105-L377 HydrophobicContact CD1-CD1 4.49Å; L105-L377 HydrophobicContact CD2-CD1 4.22Å
106G97.8Very high98.2Very high0 Ų014 Ų140%09%0.09CC..Hα-helixtrans-59.8-48.1179.800000112.5H13 P104 Q109 L110H13-G106 PolarHBondContact O-N 2.78Å; P104-G106 PolarHBondContact O-N 2.55Å; G106-Q109 PolarHBondContact O-N 3.18Å; G106-L110 WeakPolarHBondContact O-CG 3.5Å; G106-L110 PolarHBondContact O-N 3.42Å; G106-L110 VanDerWaalsContact O-N 3.12Å
107V97.9Very high98.1Very high6 Ų619.2 Ų19.24%0.03612%0.118CC..Hα-helixtrans-68.7-47.5179.7-176.20000110.5L76 L81 P104 Q109 L110 L111L76-V107 HydrophobicContact CD1-CG2 4.37Å; L76-V107 HydrophobicContact CD2-CG2 3.76Å; L81-V107 HydrophobicContact CD1-CG1 3.96Å; L81-V107 HydrophobicContact CD2-CB 4.31Å; L81-V107 HydrophobicContact CD2-CG1 4Å; L81-V107 HydrophobicContact CG-CG1 4.22Å; P104-V107 HydrophobicContact CB-CG2 4.28Å; P104-V107 PolarHBondContact O-N 3.39Å; P104-V107 VanDerWaalsContact O-N 3.1Å; V107-Q109 PolarHBondContact O-N 2.87Å; V107-L110 PolarHBondContact O-N 3.3Å; V107-L110 VanDerWaalsContact O-N 3.08Å; V107-L111 HydrophobicContact CG1-CD1 4.36Å; V107-L111 WeakPolarHBondContact O-CG 3.46Å; V107-L111 PolarHBondContact O-N 2.69Å
108C98.3Very high98Very high0 Ų020.8 Ų20.80%013%0.126CC..Hα-helixtrans-56.3-37.6176.9-68.80000112.2F19 P104 Y372F19-C108 HydrophobicContact CD2-CB 3.57Å; F19-C108 HydrophobicContact CE2-CB 3.64Å; P104-C108 PolarHBondContact O-N 2.66Å; P104-C108 PolarHBondContact O-SG 3.26Å; P104-C108 VanDerWaalsContact O-SG 3.41Å; C108-Y372 WeakPolarHBondContact O-CE1 3.2Å; C108-Y372 PolarHBondContact O-OH 3.36Å; C108-Y372 VanDerWaalsContact O-OH 3.11Å
109Q97.9Very high98Very high21 Ų2120.8 Ų20.810%0.09813%0.126CC..Hα-helixtrans-71.9-35.3177.7-177.859.575.100113M3 Y7 L105 G106 V107 L111 E112M3-Q109 HydrophobicContact CB-CG 4.27Å; M3-Q109 HydrophobicContact CE-CG 4.31Å; M3-Q109 VanDerWaalsContact CE-NE2 3.29Å; Y7-Q109 HydrophobicContact CD2-CG 4.45Å; Y7-Q109 HydrophobicContact CE2-CB 4.32Å; Y7-Q109 HydrophobicContact CE2-CG 4.01Å; L105-Q109 WeakPolarHBondContact O-CB 3.4Å; L105-Q109 PolarHBondContact O-N 3.19Å; G106-Q109 PolarHBondContact O-N 3.18Å; V107-Q109 PolarHBondContact O-N 2.87Å; Q109-L111 VanDerWaalsContact C-N 3.28Å; Q109-L111 PolarHBondContact O-N 2.86Å; Q109-E112 PolarHBondContact NE2-OE2 3.23Å
110L98Very high97.9Very high32 Ų3222.1 Ų22.117%0.16813%0.133CC..Hα-helixtrans-68-28.9178.3-74.6170.5000112.4M1 C4 F48 F50 L73 L76 G106 V107M1-L110 HydrophobicContact CE-CD2 4.17Å; M1-L110 HydrophobicContact SD-CD2 4.36Å; C4-L110 HydrophobicContact CB-CD2 3.91Å; C4-L110 HydrophobicContact CB-CG 4.09Å; F48-L110 HydrophobicContact CZ-CB 4.3Å; F48-L110 HydrophobicContact CZ-CD1 4.35Å; F50-L110 HydrophobicContact CE2-CD1 4.11Å; F50-L110 HydrophobicContact CZ-CD1 4.2Å; L73-L110 HydrophobicContact CD2-CD1 4.16Å; L76-L110 HydrophobicContact CD1-CD1 3.62Å; G106-L110 WeakPolarHBondContact O-CG 3.5Å; G106-L110 PolarHBondContact O-N 3.42Å; G106-L110 VanDerWaalsContact O-N 3.12Å; V107-L110 PolarHBondContact O-N 3.3Å; V107-L110 VanDerWaalsContact O-N 3.08Å
111L98.3Very high97.8Very high1 Ų123.9 Ų23.91%0.00514%0.14CC..Hα-helixtrans-79.4-20.6-177.6-66.8174.6000114.4L44 L45 F48 L81 V107 Q109 A113 A114 L115L44-L111 HydrophobicContact CD2-CD2 4.44Å; L45-L111 HydrophobicContact CD2-CD1 3.57Å; L45-L111 HydrophobicContact CD2-CD2 3.96Å; L45-L111 HydrophobicContact CD2-CG 4.41Å; F48-L111 HydrophobicContact CD2-CD2 3.69Å; F48-L111 HydrophobicContact CE2-CD2 3.81Å; F48-L111 HydrophobicContact CG-CD2 4.34Å; L81-L111 HydrophobicContact CD1-CD1 3.45Å; L81-L111 VanDerWaalsContact CD1-CD1 3.45Å; V107-L111 HydrophobicContact CG1-CD1 4.36Å; V107-L111 WeakPolarHBondContact O-CG 3.46Å; V107-L111 PolarHBondContact O-N 2.69Å; Q109-L111 VanDerWaalsContact C-N 3.28Å; Q109-L111 PolarHBondContact O-N 2.86Å; L111-A113 PolarHBondContact O-N 3.28Å; L111-A114 PolarHBondContact O-N 2.96Å; L111-L115 HydrophobicContact CB-CD1 3.87Å; L111-L115 HydrophobicContact CB-CG 4.11Å; L111-L115 WeakPolarHBondContact O-CG 3.3Å; L111-L115 PolarHBondContact O-N 2.99Å
112E98.4Very high97.7Very high44 Ų4424 Ų2421%0.20614%0.141CC..Hα-helixtrans-45.8-57.5-171.5168.2166-161.200113.5Q109 A114 L116 Y372Q109-E112 PolarHBondContact NE2-OE2 3.23Å; E112-A114 PolarHBondContact O-N 3.01Å; E112-L116 HydrophobicContact CG-CD1 3.85Å; E112-L116 WeakPolarHBondContact O-CB 3.43Å; E112-L116 VanDerWaalsContact O-CG 3.28Å; E112-L116 WeakPolarHBondContact O-CG 3.36Å; E112-L116 PolarHBondContact O-N 3.24Å; E112-Y372 HydrophobicContact CB-CD1 3.58Å; E112-Y372 HydrophobicContact CB-CE1 3.95Å; E112-Y372 HydrophobicContact CB-CG 4.13Å; E112-Y372 HydrophobicContact CG-CD1 3.74Å; E112-Y372 HydrophobicContact CG-CG 4Å
113A97.7Very high97.7Very high75 Ų7523.5 Ų23.562%0.6214%0.139SC*.Hα-helixtrans-66.2-40.2-172.300000112.2L111 N117L111-A113 PolarHBondContact O-N 3.28Å; A113-N117 WeakPolarHBondContact O-CB 3.27Å; A113-N117 PolarHBondContact O-N 3.47Å
114A97.1Very high97.6Very high38 Ų3823.5 Ų23.531%0.31414%0.139SC..Hα-helixtrans-70-45.6-178.800000111.3L44 L111 E112 L116 N117 L118L44-A114 HydrophobicContact CD2-CB 3.49Å; L44-A114 VanDerWaalsContact CD2-CB 3.49Å; L111-A114 PolarHBondContact O-N 2.96Å; E112-A114 PolarHBondContact O-N 3.01Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.25Å; A114-N117 PolarHBondContact O-N 3.08Å; A114-L118 VanDerWaalsContact O-CG 3.29Å; A114-L118 WeakPolarHBondContact O-CG 3.44Å; A114-L118 PolarHBondContact O-N 3.36Å
115L98.5Very high97.6Very high4 Ų422.3 Ų22.32%0.02113%0.131CC..Hα-helixtrans-62.7-42177.1-62.9-178.3000111.6L21 C41 L44 V101 L111 N117 L118 V119 Y372L21-L115 HydrophobicContact CD1-CB 3.91Å; C41-L115 HydrophobicContact CB-CD2 3.58Å; C41-L115 VanDerWaalsContact SG-CD2 3.55Å; L44-L115 HydrophobicContact CD2-CD2 4.25Å; V101-L115 HydrophobicContact CG2-CD1 3.96Å; L111-L115 HydrophobicContact CB-CD1 3.87Å; L111-L115 HydrophobicContact CB-CG 4.11Å; L111-L115 WeakPolarHBondContact O-CG 3.3Å; L111-L115 PolarHBondContact O-N 2.99Å; L115-N117 VanDerWaalsContact C-N 3.35Å; L115-N117 PolarHBondContact O-N 2.87Å; L115-L118 PolarHBondContact O-N 2.87Å; L115-V119 WeakPolarHBondContact O-CG2 3.42Å; L115-V119 PolarHBondContact O-N 3.44Å; L115-Y372 HydrophobicContact CD1-CE2 3.94Å
116L98.4Very high97.6Very high27 Ų2722.2 Ų22.214%0.14113%0.13CC..Hα-helixtrans-61.2-42.9174.6-76173000112.3L21 E112 A114 N120 C370L21-L116 HydrophobicContact CD1-CD2 4.12Å; L21-L116 HydrophobicContact CG-CD2 4.04Å; E112-L116 HydrophobicContact CG-CD1 3.85Å; E112-L116 WeakPolarHBondContact O-CB 3.43Å; E112-L116 VanDerWaalsContact O-CG 3.28Å; E112-L116 WeakPolarHBondContact O-CG 3.36Å; E112-L116 PolarHBondContact O-N 3.24Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.25Å; L116-N120 VanDerWaalsContact O-CB 3.23Å; L116-N120 WeakPolarHBondContact O-CB 3.31Å; L116-N120 PolarHBondContact O-N 2.89Å; L116-N120 PolarHBondContact O-ND2 3.42Å; L116-C370 HydrophobicContact CD2-CB 3.65Å
117N95.7Very high97.6Very high110 Ų11022.2 Ų22.259%0.58813%0.131SC*.Hα-helixtrans-61.7-45.6178.6-179.2-102000111.7A113 A114 L115A113-N117 WeakPolarHBondContact O-CB 3.27Å; A113-N117 PolarHBondContact O-N 3.47Å; A114-N117 PolarHBondContact O-N 3.08Å; L115-N117 VanDerWaalsContact C-N 3.35Å; L115-N117 PolarHBondContact O-N 2.87Å
118L96.7Very high97.6Very high32 Ų3222.2 Ų22.217%0.16813%0.13CC..Hα-helixtrans-68.5-35.4-178-67.1172.7000113.3D40 L44 A114 L115 S122D40-L118 HydrophobicContact CB-CB 4.5Å; D40-L118 HydrophobicContact CB-CD1 4.25Å; D40-L118 HydrophobicContact CB-CD2 3.91Å; D40-L118 HydrophobicContact CB-CG 4.44Å; L44-L118 HydrophobicContact CB-CD1 4.27Å; L44-L118 HydrophobicContact CD2-CD1 4.15Å; A114-L118 VanDerWaalsContact O-CG 3.29Å; A114-L118 WeakPolarHBondContact O-CG 3.44Å; A114-L118 PolarHBondContact O-N 3.36Å; L115-L118 PolarHBondContact O-N 2.87Å; L118-S122 VanDerWaalsContact O-CB 3.27Å; L118-S122 WeakPolarHBondContact O-CB 3.33Å; L118-S122 PolarHBondContact O-OG 3.4Å
119V98Very high97.6Very high0 Ų022.2 Ų22.20%013%0.13CC..Hα-helixtrans-82.5-42.2179.8174.60000112.6L21 F35 L98 I99 L115 F121 S123L21-V119 HydrophobicContact CD1-CB 4.26Å; L21-V119 HydrophobicContact CD1-CG2 3.95Å; L21-V119 HydrophobicContact CD2-CB 4.02Å; L21-V119 HydrophobicContact CD2-CG1 3.7Å; L21-V119 HydrophobicContact CD2-CG2 4.19Å; F35-V119 HydrophobicContact CD2-CG1 4.28Å; F35-V119 HydrophobicContact CE2-CG1 3.74Å; F35-V119 HydrophobicContact CE2-CG2 4.26Å; L98-V119 HydrophobicContact CD1-CG1 4.3Å; I99-V119 HydrophobicContact CD1-CG2 3.82Å; L115-V119 WeakPolarHBondContact O-CG2 3.42Å; L115-V119 PolarHBondContact O-N 3.44Å; V119-F121 PolarHBondContact O-N 3.39Å; V119-S123 VanDerWaalsContact O-CB 3.32Å; V119-S123 WeakPolarHBondContact O-CB 3.38Å; V119-S123 PolarHBondContact O-N 2.94Å; V119-S123 VanDerWaalsContact O-N 3.07Å; V119-S123 PolarHBondContact O-OG 3.45Å; V119-S123 VanDerWaalsContact O-OG 3.13Å
120N96.9Very high97.6Very high30 Ų3021.6 Ų21.616%0.1613%0.127CC..Hα-helixtrans-57-54.7-174-90.9-66.9000111.6L116 L124 G369 C370L116-N120 VanDerWaalsContact O-CB 3.23Å; L116-N120 WeakPolarHBondContact O-CB 3.31Å; L116-N120 PolarHBondContact O-N 2.89Å; L116-N120 PolarHBondContact O-ND2 3.42Å; N120-L124 WeakPolarHBondContact O-CB 3.48Å; N120-L124 PolarHBondContact O-N 3.32Å; N120-G369 PolarHBondContact OD1-N 3.16Å; N120-G369 VanDerWaalsContact OD1-N 3.09Å; N120-C370 WeakPolarHBondContact OD1-CB 3.25Å; N120-C370 PolarHBondContact OD1-N 3.25Å
121F95.8Very high97.5Very high42 Ų4221.1 Ų21.118%0.18412%0.123CC..Hα-helixtrans-69.5-46.4-174.5-178.2-112.5000111.9V119 S123 L124 V125 A159 V360V119-F121 PolarHBondContact O-N 3.39Å; F121-S123 PolarHBondContact O-N 3.16Å; F121-L124 WeakPolarHBondContact O-CB 3.12Å; F121-L124 PolarHBondContact O-N 3.08Å; F121-V125 HydrophobicContact CD1-CG2 4.37Å; F121-V125 HydrophobicContact CD2-CG2 4.04Å; F121-V125 HydrophobicContact CE1-CG2 3.97Å; F121-V125 HydrophobicContact CE2-CG2 3.6Å; F121-V125 HydrophobicContact CG-CG2 4.41Å; F121-V125 HydrophobicContact CZ-CG2 3.57Å; F121-V125 WeakPolarHBondContact O-CG2 3.21Å; F121-V125 PolarHBondContact O-N 2.72Å; F121-A159 HydrophobicContact CE1-CB 4.14Å; F121-A159 HydrophobicContact CZ-CB 3.93Å; F121-V360 WeakPolarHBondContact CE2-O 3.19Å
122S97Very high97.5Very high3 Ų321.1 Ų21.12%0.02112%0.123CC..Hα-helixtrans-59.4-47.9-177.2-53.70000112.4L118 L124 A126 Y162L118-S122 VanDerWaalsContact O-CB 3.27Å; L118-S122 WeakPolarHBondContact O-CB 3.33Å; L118-S122 PolarHBondContact O-OG 3.4Å; S122-L124 VanDerWaalsContact C-N 3.33Å; S122-L124 PolarHBondContact O-N 2.92Å; S122-A126 WeakPolarHBondContact O-CB 3.46Å; S122-A126 PolarHBondContact O-N 3.39Å; S122-A126 VanDerWaalsContact O-N 3.12Å; S122-Y162 VanDerWaalsContact CB-CD2 3.45Å; S122-Y162 WeakPolarHBondContact OG-CD2 3.39Å; S122-Y162 WeakPolarHBondContact OG-CE2 3.47Å
123S98.3Very high97.4Very high0 Ų019.7 Ų19.70%012%0.116CC..Hα-helixtrans-66.9-36.1178-630000112I34 C36 V119 F121 T127I34-S123 VanDerWaalsContact O-CA 3.27Å; I34-S123 WeakPolarHBondContact O-CA 3.47Å; I34-S123 VanDerWaalsContact O-CB 3.29Å; I34-S123 WeakPolarHBondContact O-CB 3.3Å; C36-S123 PolarHBondContact N-OG 3.14Å; C36-S123 PolarHBondContact O-OG 3.11Å; V119-S123 VanDerWaalsContact O-CB 3.32Å; V119-S123 WeakPolarHBondContact O-CB 3.38Å; V119-S123 PolarHBondContact O-N 2.94Å; V119-S123 VanDerWaalsContact O-N 3.07Å; V119-S123 PolarHBondContact O-OG 3.45Å; V119-S123 VanDerWaalsContact O-OG 3.13Å; F121-S123 PolarHBondContact O-N 3.16Å; S123-T127 VanDerWaalsContact O-CB 3.3Å; S123-T127 WeakPolarHBondContact O-CB 3.48Å; S123-T127 PolarHBondContact O-N 2.83Å; S123-T127 PolarHBondContact O-OG1 3.1Å
124L97Very high97.3Very high1 Ų118.4 Ų18.41%0.00510%0.097CC..Hα-helixtrans-67.1-48.1179.8-170.572.3000111.9P27 F28 N120 F121 S122 T127 K128 C362 Q365 L368P27-L124 HydrophobicContact CB-CD1 3.62Å; P27-L124 HydrophobicContact CG-CD1 4.24Å; F28-L124 HydrophobicContact CE1-CD1 4.06Å; F28-L124 HydrophobicContact CE2-CD1 3.97Å; F28-L124 HydrophobicContact CE2-CG 4.49Å; F28-L124 HydrophobicContact CZ-CD1 3.47Å; F28-L124 VanDerWaalsContact CZ-CD1 3.47Å; F28-L124 HydrophobicContact CZ-CG 3.81Å; N120-L124 WeakPolarHBondContact O-CB 3.48Å; N120-L124 PolarHBondContact O-N 3.32Å; F121-L124 WeakPolarHBondContact O-CB 3.12Å; F121-L124 PolarHBondContact O-N 3.08Å; S122-L124 VanDerWaalsContact C-N 3.33Å; S122-L124 PolarHBondContact O-N 2.92Å; L124-T127 PolarHBondContact O-N 2.91Å; L124-K128 WeakPolarHBondContact O-CB 3.23Å; L124-K128 PolarHBondContact O-N 3.07Å; L124-C362 HydrophobicContact CD2-CB 3.48Å; L124-C362 VanDerWaalsContact CD2-CB 3.48Å; L124-C362 HydrophobicContact CG-CB 3.73Å; L124-Q365 VanDerWaalsContact CD2-O 3.3Å; L124-Q365 WeakPolarHBondContact CD2-O 3.39Å; L124-L368 HydrophobicContact CB-CB 4.48Å; L124-L368 HydrophobicContact CD1-CB 4.27Å
125V97.7Very high97.2Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-64.6-45178175.80000111.2F121 T127 K128 A129 A163 L359F121-V125 HydrophobicContact CD1-CG2 4.37Å; F121-V125 HydrophobicContact CD2-CG2 4.04Å; F121-V125 HydrophobicContact CE1-CG2 3.97Å; F121-V125 HydrophobicContact CE2-CG2 3.6Å; F121-V125 HydrophobicContact CG-CG2 4.41Å; F121-V125 HydrophobicContact CZ-CG2 3.57Å; F121-V125 WeakPolarHBondContact O-CG2 3.21Å; F121-V125 PolarHBondContact O-N 2.72Å; V125-T127 VanDerWaalsContact C-N 3.31Å; V125-T127 PolarHBondContact O-N 3.5Å; V125-K128 PolarHBondContact O-N 2.81Å; V125-A129 WeakPolarHBondContact O-CB 3.11Å; V125-A129 PolarHBondContact O-N 3.4Å; V125-A163 HydrophobicContact CG1-CB 4.16Å; V125-L359 HydrophobicContact CG1-CD1 4.3Å
126A98.3Very high97.1Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-60.1-42.9177.400000111.7I34 C36 S122 A129 M130 Y162 G166I34-A126 HydrophobicContact CB-CB 4.12Å; I34-A126 HydrophobicContact CG2-CB 3.89Å; C36-A126 HydrophobicContact CB-CB 4.36Å; S122-A126 WeakPolarHBondContact O-CB 3.46Å; S122-A126 PolarHBondContact O-N 3.39Å; S122-A126 VanDerWaalsContact O-N 3.12Å; A126-A129 PolarHBondContact O-N 2.9Å; A126-M130 PolarHBondContact O-N 3.17Å; A126-Y162 WeakPolarHBondContact CA-O 3.16Å; A126-G166 WeakPolarHBondContact O-CA 3.43Å
127T98.2Very high97Very high1 Ų117.2 Ų17.21%0.0069%0.094CC..Hα-helixtrans-64-43.2176.1-54.50000111.5P27 F28 F32 I34 S123 L124 V125 M130 R131P27-T127 HydrophobicContact CG-CG2 3.81Å; F28-T127 HydrophobicContact CD2-CG2 4.31Å; F28-T127 HydrophobicContact CE2-CG2 4.34Å; F32-T127 HydrophobicContact CD2-CG2 4.32Å; F32-T127 HydrophobicContact CE2-CG2 4.04Å; I34-T127 PolarHBondContact N-OG1 3.12Å; S123-T127 VanDerWaalsContact O-CB 3.3Å; S123-T127 WeakPolarHBondContact O-CB 3.48Å; S123-T127 PolarHBondContact O-N 2.83Å; S123-T127 PolarHBondContact O-OG1 3.1Å; L124-T127 PolarHBondContact O-N 2.91Å; V125-T127 VanDerWaalsContact C-N 3.31Å; V125-T127 PolarHBondContact O-N 3.5Å; T127-M130 PolarHBondContact O-N 3.41Å; T127-R131 WeakPolarHBondContact O-CG 3.5Å; T127-R131 PolarHBondContact O-N 3.16Å; T127-R131 VanDerWaalsContact O-N 3.08Å
128K97.6Very high96.8Very high5 Ų517.2 Ų17.22%0.0229%0.091CC..Hα-helixtrans-61.6-44.9177.2-174.262.3176.9-179.40111.7F28 L124 V125 M130 R131 I132 E337 H358 L359F28-K128 HydrophobicContact CD2-CD 4.42Å; F28-K128 HydrophobicContact CE1-CD 4.15Å; F28-K128 HydrophobicContact CE2-CB 3.77Å; F28-K128 HydrophobicContact CE2-CD 4.03Å; F28-K128 HydrophobicContact CE2-CG 4.49Å; F28-K128 HydrophobicContact CZ-CB 3.83Å; F28-K128 HydrophobicContact CZ-CD 3.87Å; F28-K128 HydrophobicContact CZ-CG 4.29Å; L124-K128 WeakPolarHBondContact O-CB 3.23Å; L124-K128 PolarHBondContact O-N 3.07Å; V125-K128 PolarHBondContact O-N 2.81Å; K128-M130 VanDerWaalsContact C-N 3.33Å; K128-M130 PolarHBondContact O-N 2.95Å; K128-R131 PolarHBondContact O-N 3.12Å; K128-I132 HydrophobicContact CG-CD1 4.1Å; K128-I132 WeakPolarHBondContact O-CG1 3.09Å; K128-I132 PolarHBondContact O-N 3.01Å; K128-E337 VanDerWaalsContact CD-OE1 3.29Å; K128-E337 WeakPolarHBondContact CD-OE1 3.44Å; K128-E337 VanDerWaalsContact CE-OE1 3.23Å; K128-E337 WeakPolarHBondContact CE-OE1 3.44Å; K128-E337 WeakPolarHBondContact CE-OE2 3.15Å; K128-E337 IonicContact NZ-OE1 2.7Å; K128-E337 PolarHBondContact NZ-OE1 2.91Å; K128-E337 IonicContact NZ-OE2 2.93Å; K128-E337 PolarHBondContact NZ-OE2 2.99Å; K128-H358 WeakPolarHBondContact CE-O 3.37Å; K128-L359 HydrophobicContact CB-CD1 4.42Å; K128-L359 HydrophobicContact CG-CD1 4.2Å
129A98.2Very high96.6Very high0 Ų025.8 Ų25.80%013%0.127CC..Hα-helixtrans-60.3-42.5178.300000111.8V125 A126 I132 R133 A163 G166 F168 L359V125-A129 WeakPolarHBondContact O-CB 3.11Å; V125-A129 PolarHBondContact O-N 3.4Å; A126-A129 PolarHBondContact O-N 2.9Å; A129-I132 PolarHBondContact O-N 3.45Å; A129-R133 PolarHBondContact O-N 3.29Å; A129-A163 HydrophobicContact CB-CB 4.4Å; A129-A163 WeakPolarHBondContact CB-O 3.33Å; A129-G166 CarbonylContact C-O 3.52Å; A129-F168 HydrophobicContact CB-CD2 3.76Å; A129-F168 HydrophobicContact CB-CE2 3.92Å; A129-L359 HydrophobicContact CB-CD1 3.92Å
130M97.7Very high96.6Very high8 Ų826.3 Ų26.34%0.03913%0.131CC..Hα-helixtrans-65.6-39.6176.3-174.258.3-159.100112.3F32 I34 A126 T127 K128 I132 R133 Q134 G166 V489 F493F32-M130 HydrophobicContact CE2-CB 4.49Å; F32-M130 HydrophobicContact CE2-CG 4.3Å; F32-M130 HydrophobicContact CZ-CG 4.36Å; I34-M130 HydrophobicContact CD1-CB 3.39Å; I34-M130 HydrophobicContact CD1-CG 3.89Å; A126-M130 PolarHBondContact O-N 3.17Å; T127-M130 PolarHBondContact O-N 3.41Å; K128-M130 VanDerWaalsContact C-N 3.33Å; K128-M130 PolarHBondContact O-N 2.95Å; M130-I132 VanDerWaalsContact C-N 3.32Å; M130-I132 PolarHBondContact O-N 3.18Å; M130-R133 HydrophobicContact CE-CG 4.43Å; M130-R133 WeakPolarHBondContact O-CB 3.4Å; M130-R133 PolarHBondContact O-N 3.4Å; M130-R133 HydrophobicContact SD-CB 4.28Å; M130-R133 HydrophobicContact SD-CG 4.23Å; M130-Q134 HydrophobicContact CE-CG 3.98Å; M130-Q134 WeakPolarHBondContact O-CG 3.44Å; M130-Q134 PolarHBondContact O-N 3.02Å; M130-G166 WeakPolarHBondContact CA-O 3.44Å; M130-G166 WeakPolarHBondContact CB-O 3.3Å; M130-G166 PolarHBondContact N-O 3.3Å; M130-G166 VanDerWaalsContact N-O 3.12Å; M130-V489 HydrophobicContact SD-CG1 4.49Å; M130-F493 HydrophobicContact CE-CB 4.34Å; M130-F493 HydrophobicContact CE-CD1 3.51Å; M130-F493 HydrophobicContact CE-CD2 3.7Å; M130-F493 HydrophobicContact CE-CE1 3.67Å; M130-F493 HydrophobicContact CE-CE2 3.85Å; M130-F493 HydrophobicContact CE-CG 3.55Å; M130-F493 HydrophobicContact CE-CZ 3.87Å; M130-F493 HydrophobicContact CG-CD2 3.94Å; M130-F493 HydrophobicContact CG-CE2 4.19Å; M130-F493 HydrophobicContact SD-CD2 4.47Å
131R96.7Very high96.6Very high23 Ų2325.3 Ų25.39%0.08713%0.128CC..Hα-helixtrans-63.7-37.9175.5-70.1176.965.996.5-3.7112.3F28 F32 T127 K128 Q134 A135 E337F28-R131 PolarHBondContact O-NH2 2.84Å; F28-R131 VanDerWaalsContact O-NH2 3.12Å; F32-R131 HydrophobicContact CZ-CG 4Å; T127-R131 WeakPolarHBondContact O-CG 3.5Å; T127-R131 PolarHBondContact O-N 3.16Å; T127-R131 VanDerWaalsContact O-N 3.08Å; K128-R131 PolarHBondContact O-N 3.12Å; R131-Q134 WeakPolarHBondContact O-CB 3.37Å; R131-Q134 PolarHBondContact O-N 2.97Å; R131-A135 PolarHBondContact O-N 3.07Å; R131-E337 HydrophobicContact CB-CG 4Å; R131-E337 WeakPolarHBondContact CB-OE1 3.43Å; R131-E337 IonicContact NE-OE1 2.75Å
132I97.2Very high96.8Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-65.7-43.4172.9-66.5162000110.5K128 A129 M130 Q134 A135 A136 L142 F168 E337 I340 I355 L359K128-I132 HydrophobicContact CG-CD1 4.1Å; K128-I132 WeakPolarHBondContact O-CG1 3.09Å; K128-I132 PolarHBondContact O-N 3.01Å; A129-I132 PolarHBondContact O-N 3.45Å; M130-I132 VanDerWaalsContact C-N 3.32Å; M130-I132 PolarHBondContact O-N 3.18Å; I132-Q134 VanDerWaalsContact C-N 3.32Å; I132-Q134 PolarHBondContact O-N 3.22Å; I132-A135 WeakPolarHBondContact O-CB 3.33Å; I132-A135 PolarHBondContact O-N 2.87Å; I132-A136 WeakPolarHBondContact O-CB 3.31Å; I132-A136 PolarHBondContact O-N 2.96Å; I132-L142 HydrophobicContact CG2-CD1 3.93Å; I132-L142 HydrophobicContact CG2-CD2 4.16Å; I132-F168 HydrophobicContact CB-CE2 4.09Å; I132-F168 HydrophobicContact CB-CZ 4.41Å; I132-F168 HydrophobicContact CD1-CE2 4.29Å; I132-F168 HydrophobicContact CD1-CZ 4.15Å; I132-F168 HydrophobicContact CG2-CE2 3.98Å; I132-F168 HydrophobicContact CG2-CZ 3.94Å; I132-E337 HydrophobicContact CB-CG 4.42Å; I132-E337 HydrophobicContact CG1-CG 3.74Å; I132-I340 HydrophobicContact CG2-CD1 3.84Å; I132-I355 HydrophobicContact CD1-CG2 4.15Å; I132-I355 HydrophobicContact CG2-CG1 4.26Å; I132-L359 HydrophobicContact CD1-CB 4.21Å; I132-L359 HydrophobicContact CD1-CD1 4.02Å
133R96.9Very high96.8Very high14 Ų1424.4 Ų24.45%0.05312%0.124CC..Hα-helixtrans-55.6-44.8171.8171.957.263.2-163.75.1112.2A129 M130 A135 A136 G137 A140 L142 G167 D169A129-R133 PolarHBondContact O-N 3.29Å; M130-R133 HydrophobicContact CE-CG 4.43Å; M130-R133 WeakPolarHBondContact O-CB 3.4Å; M130-R133 PolarHBondContact O-N 3.4Å; M130-R133 HydrophobicContact SD-CB 4.28Å; M130-R133 HydrophobicContact SD-CG 4.23Å; R133-A135 VanDerWaalsContact C-N 3.27Å; R133-A135 PolarHBondContact O-N 3.3Å; R133-A136 PolarHBondContact O-N 2.93Å; R133-G137 WeakPolarHBondContact CD-O 3.34Å; R133-G137 PolarHBondContact NH1-O 3.32Å; R133-G137 PolarHBondContact O-N 3.07Å; R133-A140 PolarHBondContact NH1-O 2.87Å; R133-L142 HydrophobicContact CB-CD1 4.03Å; R133-G167 PolarHBondContact NE-O 3.11Å; R133-G167 PolarHBondContact NH2-O 3.11Å; R133-D169 IonicContact CZ-OD2 3.64Å; R133-D169 IonicContact NH2-OD1 2.82Å; R133-D169 PolarHBondContact NH2-OD1 2.75Å; R133-D169 IonicContact NH2-OD2 3.96Å; R133-D169 PolarHBondContact NH2-OD2 3.23Å
134Q95.4Very high96.8Very high48 Ų4824.5 Ų24.522%0.22412%0.124CC..Hα-helixtrans-61.5-36175-68.2-177.9-68.200112.6M130 R131 I132 F493 T501M130-Q134 HydrophobicContact CE-CG 3.98Å; M130-Q134 WeakPolarHBondContact O-CG 3.44Å; M130-Q134 PolarHBondContact O-N 3.02Å; R131-Q134 WeakPolarHBondContact O-CB 3.37Å; R131-Q134 PolarHBondContact O-N 2.97Å; I132-Q134 VanDerWaalsContact C-N 3.32Å; I132-Q134 PolarHBondContact O-N 3.22Å; Q134-F493 HydrophobicContact CG-CE2 4.48Å; Q134-F493 HydrophobicContact CG-CZ 4.06Å; Q134-T501 PolarHBondContact NE2-O 2.79Å
135A95.9Very high96.8Very high2 Ų225.7 Ų25.72%0.01713%0.13CC..Hα-helixtrans-73.6-42.7178.100000112.4R131 I132 R133 E337 I340 N344 R503R131-A135 PolarHBondContact O-N 3.07Å; I132-A135 WeakPolarHBondContact O-CB 3.33Å; I132-A135 PolarHBondContact O-N 2.87Å; R133-A135 VanDerWaalsContact C-N 3.27Å; R133-A135 PolarHBondContact O-N 3.3Å; A135-E337 HydrophobicContact CB-CB 3.93Å; A135-E337 HydrophobicContact CB-CG 4.39Å; A135-I340 HydrophobicContact CB-CB 4.28Å; A135-I340 HydrophobicContact CB-CG2 4.06Å; A135-N344 PolarHBondContact O-ND2 2.85Å; A135-R503 VanDerWaalsContact CA-NH1 3.34Å
136A96.5Very high96.6Very high13 Ų1325.7 Ų25.711%0.10713%0.13CC..Hα-helixtrans-76.5-26.9-178.500000113.4I132 R133 A140 L142 I340 Y353I132-A136 WeakPolarHBondContact O-CB 3.31Å; I132-A136 PolarHBondContact O-N 2.96Å; R133-A136 PolarHBondContact O-N 2.93Å; A136-A140 HydrophobicContact CB-CB 4.12Å; A136-L142 HydrophobicContact CB-CD1 4.27Å; A136-L142 HydrophobicContact CB-CD2 3.8Å; A136-L142 HydrophobicContact CB-CG 4.3Å; A136-I340 HydrophobicContact CB-CG2 4.08Å; A136-Y353 HydrophobicContact CB-CD2 4.04Å; A136-Y353 HydrophobicContact CB-CE2 4.03Å
137G94.7Very high96.4Very high29 Ų2929.3 Ų29.330%0.29915%0.148SC..  trans87.3170.1-173.200000113.1R133 K139R133-G137 WeakPolarHBondContact CD-O 3.34Å; R133-G137 PolarHBondContact NH1-O 3.32Å; R133-G137 PolarHBondContact O-N 3.07Å; G137-K139 VanDerWaalsContact C-N 3.34Å; G137-K139 PolarHBondContact O-N 2.91Å
138E92.5Very high96.1Very high111 Ų11138.6 Ų38.652%0.51918%0.183SC..SBendtrans-73.8-22.2-175.1-69.8-77.7148.900113.8R490E138-R490 IonicContact OE2-CZ 3.04Å; E138-R490 IonicContact OE2-NE 3.54Å; E138-R490 IonicContact OE2-NH2 2.85Å; E138-R490 PolarHBondContact OE2-NH2 2.97Å
139K93.1Very high95.9Very high211 Ų21145.4 Ų45.492%0.91721%0.208SC*.SBendtrans-87.6-26.1-175.3-66.5-173.4179.4-176.80113.9G137G137-K139 VanDerWaalsContact C-N 3.34Å; G137-K139 PolarHBondContact O-N 2.91Å
140A96.9Very high95.7Very high12 Ų1246.4 Ų46.410%0.09922%0.217CC..SBendtrans-74137.6-177.300000110.7R133 A136 D351 Y353R133-A140 PolarHBondContact NH1-O 2.87Å; A136-A140 HydrophobicContact CB-CB 4.12Å; A140-D351 CarbonylContact C-O 3.5Å; A140-D351 VanDerWaalsContact CA-O 3.24Å; A140-D351 WeakPolarHBondContact CA-O 3.13Å; A140-Y353 HydrophobicContact CB-CD2 4.07Å; A140-Y353 HydrophobicContact CB-CE2 3.89Å
141G98.1Very high95.4Very high9 Ų951.5 Ų51.59%0.09324%0.241CC..EExtended strand (participates in β ladder)trans-71.9135.6169.900000110.8D351 N352 Y353G141-D351 PolarHBondContact N-O 2.95Å; G141-N352 VanDerWaalsContact CA-OD1 3.24Å; G141-N352 WeakPolarHBondContact CA-OD1 3.17Å; G141-N352 PolarHBondContact N-OD1 3.04Å; G141-N352 CarbonylContact O-C 3.31Å; G141-N352 VanDerWaalsContact O-CA 3.32Å; G141-N352 WeakPolarHBondContact O-CA 3.42Å; G141-Y353 PolarHBondContact O-N 2.85Å
142L98.6Very high94.9Very high0 Ų053.1 Ų53.10%026%0.264CS..EExtended strand (participates in β ladder)trans-119123.3174.2-69.9-175.1000111.2I132 R133 A136 F168 D169 G170 Y353I132-L142 HydrophobicContact CG2-CD1 3.93Å; I132-L142 HydrophobicContact CG2-CD2 4.16Å; R133-L142 HydrophobicContact CB-CD1 4.03Å; A136-L142 HydrophobicContact CB-CD1 4.27Å; A136-L142 HydrophobicContact CB-CD2 3.8Å; A136-L142 HydrophobicContact CB-CG 4.3Å; L142-F168 HydrophobicContact CB-CB 4.38Å; L142-F168 HydrophobicContact CB-CD1 3.9Å; L142-F168 HydrophobicContact CB-CD2 4.09Å; L142-F168 HydrophobicContact CB-CE1 4.11Å; L142-F168 HydrophobicContact CB-CE2 4.3Å; L142-F168 HydrophobicContact CB-CG 3.88Å; L142-F168 HydrophobicContact CB-CZ 4.31Å; L142-F168 HydrophobicContact CD1-CD2 4.09Å; L142-F168 HydrophobicContact CD1-CE2 3.92Å; L142-F168 HydrophobicContact CD1-CZ 4.39Å; L142-D169 PolarHBondContact N-OD2 3.01Å; L142-D169 PolarHBondContact O-N 3.23Å; L142-G170 PolarHBondContact O-N 3.09Å; L142-Y353 HydrophobicContact CD2-CD2 3.94Å; L142-Y353 HydrophobicContact CD2-CG 4.34Å
143F98.2Very high94.4Very high26 Ų2660 Ų6011%0.11431%0.309CS..EExtended strand (participates in β ladder)trans-124.8129.5-176.3-57.7-77.1000111.5M145 F168 D169 G170 F185 N352 Y353 I355F143-M145 HydrophobicContact CB-CE 4.14Å; F143-F168 VanDerWaalsContact C-CD1 3.5Å; F143-D169 HydrophobicContact CE1-CB 4.45Å; F143-G170 WeakPolarHBondContact CA-O 3.49Å; F143-F185 HydrophobicContact CB-CB 4.23Å; F143-F185 HydrophobicContact CB-CD1 3.9Å; F143-F185 HydrophobicContact CB-CG 4.18Å; F143-F185 HydrophobicContact CD1-CB 3.25Å; F143-F185 HydrophobicContact CD1-CD1 4.08Å; F143-F185 AromaticContact CD1-CD2 3.94Å; F143-F185 HydrophobicContact CD1-CD2 3.94Å; F143-F185 AromaticContact CD1-CG 3.48Å; F143-F185 HydrophobicContact CD1-CG 3.48Å; F143-F185 VanDerWaalsContact CD1-CG 3.48Å; F143-F185 AromaticContact CD2-CD1 3.92Å; F143-F185 HydrophobicContact CD2-CD1 3.92Å; F143-F185 HydrophobicContact CD2-CD2 4.07Å; F143-F185 HydrophobicContact CD2-CE1 4.13Å; F143-F185 HydrophobicContact CD2-CE2 4.26Å; F143-F185 AromaticContact CD2-CG 3.9Å; F143-F185 HydrophobicContact CD2-CG 3.9Å; F143-F185 HydrophobicContact CD2-CZ 4.3Å; F143-F185 HydrophobicContact CE1-CB 3.64Å; F143-F185 AromaticContact CE1-CD2 3.68Å; F143-F185 HydrophobicContact CE1-CD2 3.68Å; F143-F185 AromaticContact CE1-CG 3.72Å; F143-F185 HydrophobicContact CE1-CG 3.72Å; F143-F185 HydrophobicContact CE2-CD1 4.48Å; F143-F185 AromaticContact CE2-CD2 3.82Å; F143-F185 HydrophobicContact CE2-CD2 3.82Å; F143-F185 AromaticContact CE2-CE2 3.92Å; F143-F185 HydrophobicContact CE2-CE2 3.92Å; F143-F185 HydrophobicContact CE2-CG 4.12Å; F143-F185 HydrophobicContact CE2-CZ 4.33Å; F143-F185 HydrophobicContact CG-CB 3.77Å; F143-F185 AromaticContact CG-CD1 3.69Å; F143-F185 HydrophobicContact CG-CD1 3.69Å; F143-F185 HydrophobicContact CG-CD2 4.12Å; F143-F185 HydrophobicContact CG-CE1 4.35Å; F143-F185 AromaticContact CG-CG 3.56Å; F143-F185 HydrophobicContact CG-CG 3.56Å; F143-F185 HydrophobicContact CZ-CB 4.43Å; F143-F185 AromaticContact CZ-CD2 3.61Å; F143-F185 HydrophobicContact CZ-CD2 3.61Å; F143-F185 HydrophobicContact CZ-CE2 4.08Å; F143-F185 HydrophobicContact CZ-CG 4.04Å; F143-N352 HydrophobicContact CD2-CB 4.24Å; F143-N352 HydrophobicContact CE2-CB 3.81Å; F143-Y353 PolarHBondContact N-O 3.28Å; F143-I355 PolarHBondContact O-N 2.8Å
144E97.7Very high94.1Very high1 Ų163.4 Ų63.41%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-81.4121.5178.9-176-80.7128.500109.2G146 M147 T160 A163 F168 G170 T171 S172 L359 V360E144-G146 VanDerWaalsContact OE1-CA 3.3Å; E144-G146 WeakPolarHBondContact OE1-CA 3.39Å; E144-G146 PolarHBondContact OE1-N 3.03Å; E144-M147 PolarHBondContact OE1-N 3.44Å; E144-T160 WeakPolarHBondContact OE2-CB 3.47Å; E144-T160 PolarHBondContact OE2-OG1 3.3Å; E144-A163 HydrophobicContact CB-CB 4.28Å; E144-A163 HydrophobicContact CG-CB 4.1Å; E144-F168 HydrophobicContact CB-CD1 3.99Å; E144-F168 HydrophobicContact CB-CE1 4.44Å; E144-G170 PolarHBondContact N-O 2.98Å; E144-T171 CarbonylContact O-C 3.59Å; E144-T171 VanDerWaalsContact O-CA 3.3Å; E144-T171 WeakPolarHBondContact O-CA 3.24Å; E144-T171 PolarHBondContact O-OG1 3.38Å; E144-T171 PolarHBondContact OE2-OG1 2.53Å; E144-S172 PolarHBondContact O-N 2.99Å; E144-L359 HydrophobicContact CB-CD2 4.09Å; E144-L359 HydrophobicContact CG-CD2 3.69Å; E144-V360 HydrophobicContact CG-CG1 4.23Å
145M96.1Very high93.9Very high26 Ų2661.2 Ų61.213%0.12832%0.318CS..  trans-131.323-176.6-60.3-172.4-171.400112.6F143 R148 F185 I355F143-M145 HydrophobicContact CB-CE 4.14Å; M145-R148 PolarHBondContact O-NH1 2.79Å; M145-F185 HydrophobicContact CE-CD1 3.44Å; M145-F185 VanDerWaalsContact CE-CD1 3.44Å; M145-F185 HydrophobicContact CE-CE1 3.39Å; M145-I355 PolarHBondContact N-O 3.09Å
146G94.4Very high93.8Very high0 Ų062.1 Ų62.10%033%0.325CS..  trans-95.7-4.4-170.500000115.1E144 R148 R149 A150 V360E144-G146 VanDerWaalsContact OE1-CA 3.3Å; E144-G146 WeakPolarHBondContact OE1-CA 3.39Å; E144-G146 PolarHBondContact OE1-N 3.03Å; G146-R148 VanDerWaalsContact C-N 3.27Å; G146-R148 PolarHBondContact O-N 3.46Å; G146-R149 WeakPolarHBondContact O-CA 3.3Å; G146-R149 PolarHBondContact O-N 3.49Å; G146-A150 PolarHBondContact O-N 2.73Å; G146-V360 WeakPolarHBondContact O-CG2 3.25Å
147M93.6Very high93.8Very high77 Ų7763.5 Ų63.538%0.37933%0.331SS..G310 helixtrans-33.1-55-178.7170.4-175.4-70.200114.4E144 R149 A150 A156 N173E144-M147 PolarHBondContact OE1-N 3.44Å; M147-R149 PolarHBondContact O-N 2.59Å; M147-R149 VanDerWaalsContact O-N 3.12Å; M147-A150 WeakPolarHBondContact O-CB 3.16Å; M147-A150 PolarHBondContact O-N 3.24Å; M147-A150 VanDerWaalsContact O-N 3.15Å; M147-A156 HydrophobicContact CB-CB 4.05Å; M147-A156 HydrophobicContact CG-CB 3.63Å; M147-N173 HydrophobicContact CE-CB 3.41Å; M147-N173 VanDerWaalsContact CE-CB 3.41Å; M147-N173 WeakPolarHBondContact CE-ND2 3.32Å; M147-N173 WeakPolarHBondContact CE-OD1 3.25Å
148R92Very high93.8Very high195 Ų19563 Ų6374%0.73632%0.323SS*.G310 helixtrans-68.8-8-175.972.5-175.8-179.7-78.42.7115.4M145 G146M145-R148 PolarHBondContact O-NH1 2.79Å; G146-R148 VanDerWaalsContact C-N 3.27Å; G146-R148 PolarHBondContact O-N 3.46Å
149R94.2Very high94Very high148 Ų14857.7 Ų57.756%0.55830%0.298SS*.G310 helixtrans-113.4-5.2178-60.4-62.4-163.9-176.12.1112.3G146 M147 T357 V360 T361G146-R149 WeakPolarHBondContact O-CA 3.3Å; G146-R149 PolarHBondContact O-N 3.49Å; M147-R149 PolarHBondContact O-N 2.59Å; M147-R149 VanDerWaalsContact O-N 3.12Å; R149-T357 HydrophobicContact CB-CG2 4.43Å; R149-T357 HydrophobicContact CG-CG2 4.46Å; R149-V360 HydrophobicContact CB-CG2 4.18Å; R149-T361 WeakPolarHBondContact O-CG2 3.32Å
150A93.6Very high94.2Very high21 Ų2147.7 Ų47.717%0.17425%0.254CS..  trans-69.3147.7-179.500000111.2G146 M147 A156 V360G146-A150 PolarHBondContact O-N 2.73Å; M147-A150 WeakPolarHBondContact O-CB 3.16Å; M147-A150 PolarHBondContact O-N 3.24Å; M147-A150 VanDerWaalsContact O-N 3.15Å; A150-A156 VanDerWaalsContact CB-CA 3.49Å; A150-A156 HydrophobicContact CB-CB 4Å; A150-V360 HydrophobicContact CB-CB 4.13Å; A150-V360 HydrophobicContact CB-CG2 4.15Å
151Q90.7Very high94.3Very high116 Ų11648 Ų4854%0.54225%0.253SS..  trans-93.3129.1-172.2-65.6178.5-1700111.8G155Q151-G155 WeakPolarHBondContact O-CA 3.4Å
152G87.6Confident94.2Very high56 Ų5647.5 Ų47.558%0.57725%0.249SC*.SBendtrans88.4169.5175.400000114.5N154 G155G152-N154 VanDerWaalsContact C-N 3.33Å; G152-N154 PolarHBondContact O-N 3.34Å; G152-G155 PolarHBondContact O-N 2.81Å; G152-G155 VanDerWaalsContact O-N 3.17Å
153P86.4Confident94.2Very high145 Ų14547.5 Ų47.594%0.94225%0.249SC*.THydrogen-bonded Turntrans-64.8-32.4-16924.8-34.6000113.9
154N89.1Confident94.2Very high86 Ų8647.4 Ų47.446%0.4625%0.247SC..THydrogen-bonded Turntrans-110.27.3176.165.2-22.8000112.8G152 A156 L157 S158G152-N154 VanDerWaalsContact C-N 3.33Å; G152-N154 PolarHBondContact O-N 3.34Å; N154-A156 VanDerWaalsContact C-N 3.28Å; N154-A156 PolarHBondContact O-N 3.23Å; N154-L157 PolarHBondContact O-N 2.82Å; N154-S158 PolarHBondContact O-N 2.71Å; N154-S158 VanDerWaalsContact O-N 3.08Å; N154-S158 PolarHBondContact O-OG 2.79Å
155G91.8Very high94.3Very high1 Ų147.4 Ų47.41%0.0125%0.247CC..Hα-helixtrans-57.3-40-172.600000113.2Q151 G152 A159Q151-G155 WeakPolarHBondContact O-CA 3.4Å; G152-G155 PolarHBondContact O-N 2.81Å; G152-G155 VanDerWaalsContact O-N 3.17Å; G155-A159 WeakPolarHBondContact O-CB 3.47Å; G155-A159 PolarHBondContact O-N 3.37Å
156A94.8Very high94.4Very high21 Ų2146.1 Ų46.117%0.17424%0.241CC..Hα-helixtrans-63.2-46.8178.800000112.5M147 A150 N154 A159 T160M147-A156 HydrophobicContact CB-CB 4.05Å; M147-A156 HydrophobicContact CG-CB 3.63Å; A150-A156 VanDerWaalsContact CB-CA 3.49Å; A150-A156 HydrophobicContact CB-CB 4Å; N154-A156 VanDerWaalsContact C-N 3.28Å; N154-A156 PolarHBondContact O-N 3.23Å; A156-A159 PolarHBondContact O-N 3.47Å; A156-T160 WeakPolarHBondContact O-CB 3.49Å; A156-T160 PolarHBondContact O-N 2.98Å; A156-T160 PolarHBondContact O-OG1 2.82Å
157L95.5Very high94.5Very high42 Ų4246.5 Ų46.522%0.2225%0.245CC..Hα-helixtrans-65.7-45.4-179.9-75.9168.6000111.8N154 A159 T160 R161 F175 L179 W180N154-L157 PolarHBondContact O-N 2.82Å; L157-A159 VanDerWaalsContact C-N 3.35Å; L157-T160 PolarHBondContact O-N 2.83Å; L157-R161 PolarHBondContact O-N 3.16Å; L157-F175 HydrophobicContact CD1-CD1 3.77Å; L157-F175 HydrophobicContact CD1-CE1 3.89Å; L157-F175 HydrophobicContact CD2-CB 4.43Å; L157-F175 HydrophobicContact CD2-CD1 3.72Å; L157-F175 HydrophobicContact CD2-CE1 4.47Å; L157-F175 HydrophobicContact CD2-CG 4.46Å; L157-F175 HydrophobicContact CG-CD1 4.3Å; L157-L179 HydrophobicContact CD2-CD1 4.16Å; L157-W180 HydrophobicContact CB-CH2 4.25Å; L157-W180 HydrophobicContact CD2-CZ3 4.27Å
158S95Very high94.7Very high18 Ų1842.8 Ų42.813%0.12623%0.227CC..Hα-helixtrans-61.3-45.6176-610000110.7N154 T160 R161 Y162N154-S158 PolarHBondContact O-N 2.71Å; N154-S158 VanDerWaalsContact O-N 3.08Å; N154-S158 PolarHBondContact O-OG 2.79Å; S158-T160 PolarHBondContact O-N 3.41Å; S158-R161 PolarHBondContact O-N 3.44Å; S158-Y162 WeakPolarHBondContact O-CD2 3.28Å; S158-Y162 PolarHBondContact O-N 3.03Å
159A96.6Very high95Very high0 Ų036.1 Ų36.10%021%0.205CC..Hα-helixtrans-61.2-45.7178.900000111.8F121 G155 A156 L157 R161 Y162 A163 V360F121-A159 HydrophobicContact CE1-CB 4.14Å; F121-A159 HydrophobicContact CZ-CB 3.93Å; G155-A159 WeakPolarHBondContact O-CB 3.47Å; G155-A159 PolarHBondContact O-N 3.37Å; A156-A159 PolarHBondContact O-N 3.47Å; L157-A159 VanDerWaalsContact C-N 3.35Å; A159-R161 PolarHBondContact O-N 3.25Å; A159-Y162 PolarHBondContact O-N 3.15Å; A159-A163 WeakPolarHBondContact O-CB 3.39Å; A159-A163 PolarHBondContact O-N 3.26Å; A159-V360 HydrophobicContact CB-CB 3.87Å; A159-V360 HydrophobicContact CB-CG1 3.73Å
160T97.6Very high95.2Very high1 Ų129.1 Ų29.11%0.00618%0.179CC..Hα-helixtrans-58.1-49.7176.8-59.30000111.7E144 A156 L157 S158 Y162 A163 Y164 T171 N173 S176 I182E144-T160 WeakPolarHBondContact OE2-CB 3.47Å; E144-T160 PolarHBondContact OE2-OG1 3.3Å; A156-T160 WeakPolarHBondContact O-CB 3.49Å; A156-T160 PolarHBondContact O-N 2.98Å; A156-T160 PolarHBondContact O-OG1 2.82Å; L157-T160 PolarHBondContact O-N 2.83Å; S158-T160 PolarHBondContact O-N 3.41Å; T160-Y162 PolarHBondContact O-N 3.1Å; T160-A163 PolarHBondContact O-N 3.11Å; T160-Y164 WeakPolarHBondContact O-CB 3.22Å; T160-Y164 PolarHBondContact O-N 2.89Å; T160-T171 HydrophobicContact CG2-CG2 3.55Å; T160-T171 VanDerWaalsContact CG2-OG1 3.31Å; T160-T171 WeakPolarHBondContact CG2-OG1 3.43Å; T160-N173 HydrophobicContact CG2-CB 4.15Å; T160-N173 PolarHBondContact OG1-ND2 3.5Å; T160-N173 VanDerWaalsContact OG1-ND2 3.09Å; T160-S176 VanDerWaalsContact CG2-OG 3.31Å; T160-S176 WeakPolarHBondContact CG2-OG 3Å; T160-I182 HydrophobicContact CG2-CD1 4.11Å
161R97.7Very high95.4Very high18 Ų1828.1 Ų28.17%0.06817%0.171CC..Hα-helixtrans-57.4-50.8-179.4-176.4-178176.9-176.5-6.1111.4D40 L157 S158 A159 Y164 I165 W180 V482D40-R161 IonicContact OD1-CZ 2.66Å; D40-R161 IonicContact OD1-NH1 3.5Å; D40-R161 PolarHBondContact OD1-NH1 3.43Å; D40-R161 IonicContact OD2-NH1 3.8Å; L157-R161 PolarHBondContact O-N 3.16Å; S158-R161 PolarHBondContact O-N 3.44Å; A159-R161 PolarHBondContact O-N 3.25Å; R161-Y164 PolarHBondContact O-N 3.41Å; R161-I165 HydrophobicContact CG-CD1 4.07Å; R161-I165 WeakPolarHBondContact O-CG1 3.16Å; R161-I165 PolarHBondContact O-N 2.63Å; R161-W180 HydrophobicContact CB-CE3 4.07Å; R161-W180 HydrophobicContact CB-CH2 3.88Å; R161-W180 HydrophobicContact CB-CZ2 4.38Å; R161-W180 HydrophobicContact CB-CZ3 3.72Å; R161-W180 HydrophobicContact CG-CD2 4.37Å; R161-W180 HydrophobicContact CG-CE3 4.37Å; R161-W180 HydrophobicContact CG-CH2 4.35Å; R161-W180 HydrophobicContact CG-CZ2 4.35Å; R161-W180 HydrophobicContact CG-CZ3 4.36Å; R161-V482 HydrophobicContact CG-CG1 4.08Å
162Y98Very high95.7Very high0 Ų025 Ų250%016%0.162CC..Hα-helixtrans-79.6-24.8-174.2-64.5-60.9000113.1C36 D40 S122 A126 S158 A159 T160 I165 G166C36-Y162 HydrophobicContact CB-CD1 3.53Å; C36-Y162 HydrophobicContact CB-CE1 3.62Å; C36-Y162 HydrophobicContact CB-CG 4.41Å; D40-Y162 PolarHBondContact OD2-OH 3.19Å; S122-Y162 VanDerWaalsContact CB-CD2 3.45Å; S122-Y162 WeakPolarHBondContact OG-CD2 3.39Å; S122-Y162 WeakPolarHBondContact OG-CE2 3.47Å; A126-Y162 WeakPolarHBondContact CA-O 3.16Å; S158-Y162 WeakPolarHBondContact O-CD2 3.28Å; S158-Y162 PolarHBondContact O-N 3.03Å; A159-Y162 PolarHBondContact O-N 3.15Å; T160-Y162 PolarHBondContact O-N 3.1Å; Y162-I165 HydrophobicContact CD1-CD1 3.99Å; Y162-I165 HydrophobicContact CE1-CD1 4.19Å; Y162-G166 PolarHBondContact O-N 3.38Å
163A98.3Very high96Very high0 Ų022.4 Ų22.40%014%0.135CC..Hα-helixtrans-64.8-45.6168.300000111.6V125 A129 E144 A159 T160 G166 G167 F168 L359V125-A163 HydrophobicContact CG1-CB 4.16Å; A129-A163 HydrophobicContact CB-CB 4.4Å; A129-A163 WeakPolarHBondContact CB-O 3.33Å; E144-A163 HydrophobicContact CB-CB 4.28Å; E144-A163 HydrophobicContact CG-CB 4.1Å; A159-A163 WeakPolarHBondContact O-CB 3.39Å; A159-A163 PolarHBondContact O-N 3.26Å; T160-A163 PolarHBondContact O-N 3.11Å; A163-G166 PolarHBondContact O-N 3.13Å; A163-G167 PolarHBondContact O-N 2.99Å; A163-G167 VanDerWaalsContact O-N 3.17Å; A163-F168 HydrophobicContact CB-CG 4.37Å; A163-F168 WeakPolarHBondContact O-CB 3.45Å; A163-F168 PolarHBondContact O-N 2.9Å; A163-L359 HydrophobicContact CB-CD1 4.23Å; A163-L359 HydrophobicContact CB-CD2 3.83Å; A163-L359 HydrophobicContact CB-CG 4.34Å
164Y98.5Very high96.5Very high23 Ų2320.4 Ų20.49%0.0912%0.12CC..Hα-helixtrans-61.5-49.9176.8-175.2-100.8000111.4T160 R161 G166 G167 F168 D169 I182 V482 K486T160-Y164 WeakPolarHBondContact O-CB 3.22Å; T160-Y164 PolarHBondContact O-N 2.89Å; R161-Y164 PolarHBondContact O-N 3.41Å; Y164-G166 VanDerWaalsContact C-N 3.26Å; Y164-G166 PolarHBondContact O-N 3.22Å; Y164-G167 PolarHBondContact O-N 2.85Å; Y164-G167 VanDerWaalsContact O-N 3.09Å; Y164-F168 WeakPolarHBondContact CD2-O 3.41Å; Y164-D169 WeakPolarHBondContact CE2-O 3.5Å; Y164-I182 HydrophobicContact CD1-CD1 4.32Å; Y164-I182 HydrophobicContact CD1-CG1 4.01Å; Y164-I182 HydrophobicContact CD2-CG1 4.41Å; Y164-I182 HydrophobicContact CD2-CG2 3.63Å; Y164-I182 HydrophobicContact CE1-CG1 4.42Å; Y164-I182 HydrophobicContact CE2-CG2 4.05Å; Y164-I182 HydrophobicContact CG-CD1 4.12Å; Y164-I182 HydrophobicContact CG-CG1 4Å; Y164-I182 HydrophobicContact CG-CG2 3.98Å; Y164-V482 HydrophobicContact CD1-CB 4.26Å; Y164-V482 HydrophobicContact CD1-CG2 4.02Å; Y164-V482 HydrophobicContact CE1-CG2 3.98Å; Y164-K486 HydrophobicContact CD1-CD 4.19Å; Y164-K486 HydrophobicContact CE1-CD 3.85Å; Y164-K486 HydrophobicContact CE2-CD 4.42Å; Y164-K486 VanDerWaalsContact O-CD 3.32Å; Y164-K486 WeakPolarHBondContact O-CD 3.46Å
165I98.3Very high96.9Very high1 Ų121 Ų211%0.00512%0.119CC..Hα-helixtrans-55.7-43.1174.5-73.3169.6000111.2R161 Y162 G167 V482 V485 V489R161-I165 HydrophobicContact CG-CD1 4.07Å; R161-I165 WeakPolarHBondContact O-CG1 3.16Å; R161-I165 PolarHBondContact O-N 2.63Å; Y162-I165 HydrophobicContact CD1-CD1 3.99Å; Y162-I165 HydrophobicContact CE1-CD1 4.19Å; I165-G167 PolarHBondContact O-N 3.41Å; I165-V482 HydrophobicContact CD1-CG1 4.34Å; I165-V482 HydrophobicContact CG1-CB 4.23Å; I165-V485 HydrophobicContact CD1-CB 4.24Å; I165-V485 HydrophobicContact CD1-CG1 4.11Å; I165-V485 HydrophobicContact CG1-CB 4.25Å; I165-V485 HydrophobicContact CG1-CG1 4.29Å; I165-V485 HydrophobicContact CG2-CB 4.33Å; I165-V485 HydrophobicContact CG2-CG1 3.63Å; I165-V489 HydrophobicContact CG2-CG2 3.73Å; I165-V489 WeakPolarHBondContact O-CG2 3.44Å
166G98Very high97.1Very high0 Ų021 Ų210%012%0.118CC..Hα-helixtrans-72.3-7-179.300000115.1A126 A129 M130 Y162 A163 Y164A126-G166 WeakPolarHBondContact O-CA 3.43Å; A129-G166 CarbonylContact C-O 3.52Å; M130-G166 WeakPolarHBondContact CA-O 3.44Å; M130-G166 WeakPolarHBondContact CB-O 3.3Å; M130-G166 PolarHBondContact N-O 3.3Å; M130-G166 VanDerWaalsContact N-O 3.12Å; Y162-G166 PolarHBondContact O-N 3.38Å; A163-G166 PolarHBondContact O-N 3.13Å; Y164-G166 VanDerWaalsContact C-N 3.26Å; Y164-G166 PolarHBondContact O-N 3.22Å
167G97.5Very high97.1Very high7 Ų723.4 Ų23.47%0.07213%0.126CC..THydrogen-bonded Turntrans131.23.9170.200000116.3R133 A163 Y164 I165R133-G167 PolarHBondContact NE-O 3.11Å; R133-G167 PolarHBondContact NH2-O 3.11Å; A163-G167 PolarHBondContact O-N 2.99Å; A163-G167 VanDerWaalsContact O-N 3.17Å; Y164-G167 PolarHBondContact O-N 2.85Å; Y164-G167 VanDerWaalsContact O-N 3.09Å; I165-G167 PolarHBondContact O-N 3.41Å
168F98.4Very high97.2Very high0 Ų031.2 Ų31.20%015%0.152CC..  trans-75.5153.1172.6-83.4-127.4000111.6A129 I132 L142 F143 E144 A163 Y164 I355 L359 K486A129-F168 HydrophobicContact CB-CD2 3.76Å; A129-F168 HydrophobicContact CB-CE2 3.92Å; I132-F168 HydrophobicContact CB-CE2 4.09Å; I132-F168 HydrophobicContact CB-CZ 4.41Å; I132-F168 HydrophobicContact CD1-CE2 4.29Å; I132-F168 HydrophobicContact CD1-CZ 4.15Å; I132-F168 HydrophobicContact CG2-CE2 3.98Å; I132-F168 HydrophobicContact CG2-CZ 3.94Å; L142-F168 HydrophobicContact CB-CB 4.38Å; L142-F168 HydrophobicContact CB-CD1 3.9Å; L142-F168 HydrophobicContact CB-CD2 4.09Å; L142-F168 HydrophobicContact CB-CE1 4.11Å; L142-F168 HydrophobicContact CB-CE2 4.3Å; L142-F168 HydrophobicContact CB-CG 3.88Å; L142-F168 HydrophobicContact CB-CZ 4.31Å; L142-F168 HydrophobicContact CD1-CD2 4.09Å; L142-F168 HydrophobicContact CD1-CE2 3.92Å; L142-F168 HydrophobicContact CD1-CZ 4.39Å; F143-F168 VanDerWaalsContact C-CD1 3.5Å; E144-F168 HydrophobicContact CB-CD1 3.99Å; E144-F168 HydrophobicContact CB-CE1 4.44Å; A163-F168 HydrophobicContact CB-CG 4.37Å; A163-F168 WeakPolarHBondContact O-CB 3.45Å; A163-F168 PolarHBondContact O-N 2.9Å; Y164-F168 WeakPolarHBondContact CD2-O 3.41Å; F168-I355 HydrophobicContact CE1-CB 3.81Å; F168-I355 HydrophobicContact CE1-CG1 3.86Å; F168-I355 HydrophobicContact CZ-CB 3.84Å; F168-I355 HydrophobicContact CZ-CG1 3.73Å; F168-I355 HydrophobicContact CZ-CG2 4.45Å; F168-L359 HydrophobicContact CD1-CD2 4.08Å; F168-L359 HydrophobicContact CE1-CD2 3.5Å; F168-L359 HydrophobicContact CE2-CD1 4.24Å; F168-L359 HydrophobicContact CE2-CD2 4.16Å; F168-L359 HydrophobicContact CZ-CD1 4.27Å; F168-L359 HydrophobicContact CZ-CD2 3.54Å; F168-L359 HydrophobicContact CZ-CG 4.43Å; F168-K486 WeakPolarHBondContact O-CE 3.38Å; F168-K486 PolarHBondContact O-NZ 3.46Å
169D98.2Very high97.2Very high54 Ų5434.3 Ų34.329%0.28917%0.167SC..  trans-99-19.5-172-55.5-46.7000113.9R133 L142 F143 Y164 P183 K486R133-D169 IonicContact CZ-OD2 3.64Å; R133-D169 IonicContact NH2-OD1 2.82Å; R133-D169 PolarHBondContact NH2-OD1 2.75Å; R133-D169 IonicContact NH2-OD2 3.96Å; R133-D169 PolarHBondContact NH2-OD2 3.23Å; L142-D169 PolarHBondContact N-OD2 3.01Å; L142-D169 PolarHBondContact O-N 3.23Å; F143-D169 HydrophobicContact CE1-CB 4.45Å; Y164-D169 WeakPolarHBondContact CE2-O 3.5Å; D169-P183 WeakPolarHBondContact O-CG 3.37Å; D169-K486 IonicContact OD1-NZ 2.69Å; D169-K486 PolarHBondContact OD1-NZ 3.29Å
170G97.7Very high97.2Very high1 Ų137.8 Ų37.81%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-170.1-172.1175.500000113.1L142 F143 E144 P183L142-G170 PolarHBondContact O-N 3.09Å; F143-G170 WeakPolarHBondContact CA-O 3.49Å; E144-G170 PolarHBondContact N-O 2.98Å; G170-P183 CarbonylContact C-O 3.46Å; G170-P183 WeakPolarHBondContact CA-O 3.39Å
171T98Very high97.1Very high1 Ų143.5 Ų43.51%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-151.6157-174.2-179.90000111.9E144 T160 N173 S176 I182 P183 L184 F185E144-T171 CarbonylContact O-C 3.59Å; E144-T171 VanDerWaalsContact O-CA 3.3Å; E144-T171 WeakPolarHBondContact O-CA 3.24Å; E144-T171 PolarHBondContact O-OG1 3.38Å; E144-T171 PolarHBondContact OE2-OG1 2.53Å; T160-T171 HydrophobicContact CG2-CG2 3.55Å; T160-T171 VanDerWaalsContact CG2-OG1 3.31Å; T160-T171 WeakPolarHBondContact CG2-OG1 3.43Å; T171-N173 VanDerWaalsContact C-N 3.29Å; T171-N173 HydrophobicContact CG2-CB 4.14Å; T171-N173 VanDerWaalsContact OG1-CB 3.28Å; T171-N173 WeakPolarHBondContact OG1-CB 3.31Å; T171-N173 PolarHBondContact OG1-N 2.83Å; T171-S176 WeakPolarHBondContact CG2-OG 3.45Å; T171-I182 HydrophobicContact CG2-CB 4.28Å; T171-I182 HydrophobicContact CG2-CG2 3.57Å; T171-P183 PolarHBondContact N-O 2.81Å; T171-L184 HydrophobicContact CG2-CD2 4.34Å; T171-L184 CarbonylContact O-C 3.44Å; T171-L184 WeakPolarHBondContact O-CA 3.49Å; T171-F185 PolarHBondContact O-N 2.72Å
172S95.8Very high97.1Very high49 Ų4942.7 Ų42.734%0.34321%0.208SC..SBendtrans-83.3-3.7166.464.90000113.7E144 V174 F185E144-S172 PolarHBondContact O-N 2.99Å; S172-V174 PolarHBondContact O-N 3.06Å; S172-V174 VanDerWaalsContact O-N 3.13Å; S172-F185 WeakPolarHBondContact CA-O 3.24Å
173N95.9Very high97.1Very high3 Ų345.5 Ų45.52%0.01623%0.226CC..  trans-79.892.2-177.7-174-16.9000112.2M147 T160 T171 F175 S176 H177M147-N173 HydrophobicContact CE-CB 3.41Å; M147-N173 VanDerWaalsContact CE-CB 3.41Å; M147-N173 WeakPolarHBondContact CE-ND2 3.32Å; M147-N173 WeakPolarHBondContact CE-OD1 3.25Å; T160-N173 HydrophobicContact CG2-CB 4.15Å; T160-N173 PolarHBondContact OG1-ND2 3.5Å; T160-N173 VanDerWaalsContact OG1-ND2 3.09Å; T171-N173 VanDerWaalsContact C-N 3.29Å; T171-N173 HydrophobicContact CG2-CB 4.14Å; T171-N173 VanDerWaalsContact OG1-CB 3.28Å; T171-N173 WeakPolarHBondContact OG1-CB 3.31Å; T171-N173 PolarHBondContact OG1-N 2.83Å; N173-F175 PolarHBondContact O-N 2.8Å; N173-F175 PolarHBondContact OD1-N 3.02Å; N173-S176 WeakPolarHBondContact O-CB 3.4Å; N173-S176 PolarHBondContact O-N 2.98Å; N173-S176 PolarHBondContact O-OG 3.23Å; N173-S176 PolarHBondContact OD1-N 3.15Å; N173-S176 VanDerWaalsContact OD1-N 3.15Å; N173-H177 PolarHBondContact O-N 2.78Å
174V96.5Very high97.1Very high103 Ų10349.3 Ų49.362%0.62425%0.246SC*.Hα-helixtrans-53.2-39.2179.4-178.40000112.9S172 S176 H177 R178 L184S172-V174 PolarHBondContact O-N 3.06Å; S172-V174 VanDerWaalsContact O-N 3.13Å; V174-S176 VanDerWaalsContact C-N 3.33Å; V174-S176 PolarHBondContact O-N 3.12Å; V174-H177 WeakPolarHBondContact O-CB 3.38Å; V174-H177 PolarHBondContact O-N 3.13Å; V174-R178 PolarHBondContact O-N 2.99Å; V174-L184 HydrophobicContact CG1-CD1 4.46Å; V174-L184 HydrophobicContact CG2-CD1 4.43Å
175F96.4Very high96.9Very high99 Ų9949.4 Ų49.443%0.43425%0.247SC..Hα-helixtrans-69.6-32-178.9-171-131.2000112.4L157 N173 H177 R178 L179L157-F175 HydrophobicContact CD1-CD1 3.77Å; L157-F175 HydrophobicContact CD1-CE1 3.89Å; L157-F175 HydrophobicContact CD2-CB 4.43Å; L157-F175 HydrophobicContact CD2-CD1 3.72Å; L157-F175 HydrophobicContact CD2-CE1 4.47Å; L157-F175 HydrophobicContact CD2-CG 4.46Å; L157-F175 HydrophobicContact CG-CD1 4.3Å; N173-F175 PolarHBondContact O-N 2.8Å; N173-F175 PolarHBondContact OD1-N 3.02Å; F175-H177 VanDerWaalsContact C-N 3.31Å; F175-H177 PolarHBondContact O-N 3.28Å; F175-R178 HydrophobicContact CD2-CB 4.43Å; F175-R178 WeakPolarHBondContact O-CB 3.3Å; F175-R178 PolarHBondContact O-N 3.45Å; F175-L179 HydrophobicContact CD1-CD1 4.07Å; F175-L179 HydrophobicContact CE1-CD1 3.75Å; F175-L179 HydrophobicContact CE1-CG 4.3Å; F175-L179 HydrophobicContact CE2-CD2 4.3Å; F175-L179 HydrophobicContact CE2-CG 4.33Å; F175-L179 HydrophobicContact CZ-CD1 4.05Å; F175-L179 HydrophobicContact CZ-CD2 4.04Å; F175-L179 HydrophobicContact CZ-CG 4.16Å; F175-L179 WeakPolarHBondContact O-CG 3.33Å; F175-L179 PolarHBondContact O-N 2.87Å; F175-L179 VanDerWaalsContact O-N 3.11Å
176S95.9Very high96.5Very high0 Ų051.9 Ų51.90%027%0.272CS..Hα-helixtrans-66-32.2174.2780000113.1T160 T171 N173 V174 L179 W180T160-S176 VanDerWaalsContact CG2-OG 3.31Å; T160-S176 WeakPolarHBondContact CG2-OG 3Å; T171-S176 WeakPolarHBondContact CG2-OG 3.45Å; N173-S176 WeakPolarHBondContact O-CB 3.4Å; N173-S176 PolarHBondContact O-N 2.98Å; N173-S176 PolarHBondContact O-OG 3.23Å; N173-S176 PolarHBondContact OD1-N 3.15Å; N173-S176 VanDerWaalsContact OD1-N 3.15Å; V174-S176 VanDerWaalsContact C-N 3.33Å; V174-S176 PolarHBondContact O-N 3.12Å; S176-L179 PolarHBondContact O-N 2.92Å; S176-W180 PolarHBondContact O-N 3.39Å
177H96.4Very high96.1Very high71 Ų7153.5 Ų53.533%0.32928%0.282SS..Hα-helixtrans-63.5-43.5172.8177.773000110.8N173 V174 F175 L179 N181 I182 L184N173-H177 PolarHBondContact O-N 2.78Å; V174-H177 WeakPolarHBondContact O-CB 3.38Å; V174-H177 PolarHBondContact O-N 3.13Å; F175-H177 VanDerWaalsContact C-N 3.31Å; F175-H177 PolarHBondContact O-N 3.28Å; H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 2.91Å; H177-N181 PolarHBondContact CE1-OD1 2.74Å; H177-N181 VanDerWaalsContact CE1-OD1 3.24Å; H177-N181 WeakPolarHBondContact O-CA 3.42Å; H177-N181 PolarHBondContact O-N 3.21Å; H177-I182 WeakPolarHBondContact CB-O 3.48Å; H177-I182 PolarHBondContact ND1-O 3.22Å; H177-L184 HydrophobicContact CB-CD1 3.88Å; H177-L184 HydrophobicContact CB-CD2 3.59Å; H177-L184 HydrophobicContact CB-CG 3.61Å
178R96.6Very high96Very high207 Ų20753.5 Ų53.578%0.78128%0.28SS*.Hα-helixtrans-60.5-38.3174.5-177.9178.6178.8-177.91.5113V174 F175V174-R178 PolarHBondContact O-N 2.99Å; F175-R178 HydrophobicContact CD2-CB 4.43Å; F175-R178 WeakPolarHBondContact O-CB 3.3Å; F175-R178 PolarHBondContact O-N 3.45Å
179L95.3Very high95.8Very high82 Ų8255.7 Ų55.743%0.42930%0.299SS..Hα-helixtrans-80.4-38.2-176.1-67.4178.3000113.5L157 F175 S176 H177L157-L179 HydrophobicContact CD2-CD1 4.16Å; F175-L179 HydrophobicContact CD1-CD1 4.07Å; F175-L179 HydrophobicContact CE1-CD1 3.75Å; F175-L179 HydrophobicContact CE1-CG 4.3Å; F175-L179 HydrophobicContact CE2-CD2 4.3Å; F175-L179 HydrophobicContact CE2-CG 4.33Å; F175-L179 HydrophobicContact CZ-CD1 4.05Å; F175-L179 HydrophobicContact CZ-CD2 4.04Å; F175-L179 HydrophobicContact CZ-CG 4.16Å; F175-L179 WeakPolarHBondContact O-CG 3.33Å; F175-L179 PolarHBondContact O-N 2.87Å; F175-L179 VanDerWaalsContact O-N 3.11Å; S176-L179 PolarHBondContact O-N 2.92Å; H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 2.91Å
180W95.5Very high95.7Very high73 Ų7356 Ų5628%0.27730%0.298SS..Hα-helixtrans-133.55.7-167.4-57.8-54.7000114.6L157 R161 S176 I182 V482L157-W180 HydrophobicContact CB-CH2 4.25Å; L157-W180 HydrophobicContact CD2-CZ3 4.27Å; R161-W180 HydrophobicContact CB-CE3 4.07Å; R161-W180 HydrophobicContact CB-CH2 3.88Å; R161-W180 HydrophobicContact CB-CZ2 4.38Å; R161-W180 HydrophobicContact CB-CZ3 3.72Å; R161-W180 HydrophobicContact CG-CD2 4.37Å; R161-W180 HydrophobicContact CG-CE3 4.37Å; R161-W180 HydrophobicContact CG-CH2 4.35Å; R161-W180 HydrophobicContact CG-CZ2 4.35Å; R161-W180 HydrophobicContact CG-CZ3 4.36Å; S176-W180 PolarHBondContact O-N 3.39Å; W180-I182 HydrophobicContact CB-CD1 4.14Å; W180-I182 HydrophobicContact CB-CG1 3.99Å; W180-I182 HydrophobicContact CE3-CD1 3.97Å; W180-I182 PolarHBondContact O-N 2.91Å; W180-V482 HydrophobicContact CB-CG1 4.04Å; W180-V482 HydrophobicContact CB-CG2 4Å; W180-V482 HydrophobicContact CG-CG1 3.99Å
181N97Very high95.7Very high122 Ų12260.2 Ų60.265%0.65233%0.327SS*.  trans54.433.1-176-161.929.4000113.4H177H177-N181 PolarHBondContact CE1-OD1 2.74Å; H177-N181 VanDerWaalsContact CE1-OD1 3.24Å; H177-N181 WeakPolarHBondContact O-CA 3.42Å; H177-N181 PolarHBondContact O-N 3.21Å
182I98Very high95.7Very high1 Ų163.6 Ų63.61%0.00534%0.34CS..PPolyproline II helixtrans-68.9130.4173.9-65.4172.5000108.1T160 Y164 T171 H177 W180 L184 V482T160-I182 HydrophobicContact CG2-CD1 4.11Å; Y164-I182 HydrophobicContact CD1-CD1 4.32Å; Y164-I182 HydrophobicContact CD1-CG1 4.01Å; Y164-I182 HydrophobicContact CD2-CG1 4.41Å; Y164-I182 HydrophobicContact CD2-CG2 3.63Å; Y164-I182 HydrophobicContact CE1-CG1 4.42Å; Y164-I182 HydrophobicContact CE2-CG2 4.05Å; Y164-I182 HydrophobicContact CG-CD1 4.12Å; Y164-I182 HydrophobicContact CG-CG1 4Å; Y164-I182 HydrophobicContact CG-CG2 3.98Å; T171-I182 HydrophobicContact CG2-CB 4.28Å; T171-I182 HydrophobicContact CG2-CG2 3.57Å; H177-I182 WeakPolarHBondContact CB-O 3.48Å; H177-I182 PolarHBondContact ND1-O 3.22Å; W180-I182 HydrophobicContact CB-CD1 4.14Å; W180-I182 HydrophobicContact CB-CG1 3.99Å; W180-I182 HydrophobicContact CE3-CD1 3.97Å; W180-I182 PolarHBondContact O-N 2.91Å; I182-L184 PolarHBondContact O-N 2.85Å; I182-V482 HydrophobicContact CG1-CG2 4.23Å
183P98Very high95.7Very high58 Ų5861.2 Ų61.238%0.37732%0.324SS..PPolyproline II helixtrans-56.4137.1179.3-26.935.7000112.7D169 G170 T171D169-P183 WeakPolarHBondContact O-CG 3.37Å; G170-P183 CarbonylContact C-O 3.46Å; G170-P183 WeakPolarHBondContact CA-O 3.39Å; T171-P183 PolarHBondContact N-O 2.81Å
184L96.7Very high95.6Very high80 Ų8065.4 Ų65.442%0.41935%0.346SS..BIsolated β-bridgetrans-87.2142.9177.3-67.4176.9000111.4T171 V174 H177 I182T171-L184 HydrophobicContact CG2-CD2 4.34Å; T171-L184 CarbonylContact O-C 3.44Å; T171-L184 WeakPolarHBondContact O-CA 3.49Å; V174-L184 HydrophobicContact CG1-CD1 4.46Å; V174-L184 HydrophobicContact CG2-CD1 4.43Å; H177-L184 HydrophobicContact CB-CD1 3.88Å; H177-L184 HydrophobicContact CB-CD2 3.59Å; H177-L184 HydrophobicContact CB-CG 3.61Å; I182-L184 PolarHBondContact O-N 2.85Å
185F94.4Very high95.5Very high26 Ų2664.1 Ų64.111%0.11435%0.347CS..  trans-140.9127.5172-175.8-88.7000109.6F143 M145 T171 S172 T187 I261 N330F143-F185 HydrophobicContact CB-CB 4.23Å; F143-F185 HydrophobicContact CB-CD1 3.9Å; F143-F185 HydrophobicContact CB-CG 4.18Å; F143-F185 HydrophobicContact CD1-CB 3.25Å; F143-F185 HydrophobicContact CD1-CD1 4.08Å; F143-F185 AromaticContact CD1-CD2 3.94Å; F143-F185 HydrophobicContact CD1-CD2 3.94Å; F143-F185 AromaticContact CD1-CG 3.48Å; F143-F185 HydrophobicContact CD1-CG 3.48Å; F143-F185 VanDerWaalsContact CD1-CG 3.48Å; F143-F185 AromaticContact CD2-CD1 3.92Å; F143-F185 HydrophobicContact CD2-CD1 3.92Å; F143-F185 HydrophobicContact CD2-CD2 4.07Å; F143-F185 HydrophobicContact CD2-CE1 4.13Å; F143-F185 HydrophobicContact CD2-CE2 4.26Å; F143-F185 AromaticContact CD2-CG 3.9Å; F143-F185 HydrophobicContact CD2-CG 3.9Å; F143-F185 HydrophobicContact CD2-CZ 4.3Å; F143-F185 HydrophobicContact CE1-CB 3.64Å; F143-F185 AromaticContact CE1-CD2 3.68Å; F143-F185 HydrophobicContact CE1-CD2 3.68Å; F143-F185 AromaticContact CE1-CG 3.72Å; F143-F185 HydrophobicContact CE1-CG 3.72Å; F143-F185 HydrophobicContact CE2-CD1 4.48Å; F143-F185 AromaticContact CE2-CD2 3.82Å; F143-F185 HydrophobicContact CE2-CD2 3.82Å; F143-F185 AromaticContact CE2-CE2 3.92Å; F143-F185 HydrophobicContact CE2-CE2 3.92Å; F143-F185 HydrophobicContact CE2-CG 4.12Å; F143-F185 HydrophobicContact CE2-CZ 4.33Å; F143-F185 HydrophobicContact CG-CB 3.77Å; F143-F185 AromaticContact CG-CD1 3.69Å; F143-F185 HydrophobicContact CG-CD1 3.69Å; F143-F185 HydrophobicContact CG-CD2 4.12Å; F143-F185 HydrophobicContact CG-CE1 4.35Å; F143-F185 AromaticContact CG-CG 3.56Å; F143-F185 HydrophobicContact CG-CG 3.56Å; F143-F185 HydrophobicContact CZ-CB 4.43Å; F143-F185 AromaticContact CZ-CD2 3.61Å; F143-F185 HydrophobicContact CZ-CD2 3.61Å; F143-F185 HydrophobicContact CZ-CE2 4.08Å; F143-F185 HydrophobicContact CZ-CG 4.04Å; M145-F185 HydrophobicContact CE-CD1 3.44Å; M145-F185 VanDerWaalsContact CE-CD1 3.44Å; M145-F185 HydrophobicContact CE-CE1 3.39Å; T171-F185 PolarHBondContact O-N 2.72Å; S172-F185 WeakPolarHBondContact CA-O 3.24Å; F185-T187 HydrophobicContact CE1-CG2 4.09Å; F185-T187 HydrophobicContact CZ-CG2 4.25Å; F185-I261 HydrophobicContact CE2-CD1 4.01Å; F185-I261 HydrophobicContact CZ-CD1 4.13Å; F185-N330 HydrophobicContact CZ-CB 4.37Å; F185-N330 VanDerWaalsContact CZ-OD1 3.25Å; F185-N330 WeakPolarHBondContact CZ-OD1 3.14Å
186G91.5Very high95.4Very high52 Ų5261.5 Ų61.554%0.53634%0.335SS..  trans-150.6160.2-177.300000110.9
187T88.9Confident94.8Very high34 Ų3468 Ų6821%0.20937%0.365CS..  trans-137.7-157.9176.361.40000107.8F185 I261 R295F185-T187 HydrophobicContact CE1-CG2 4.09Å; F185-T187 HydrophobicContact CZ-CG2 4.25Å; T187-I261 HydrophobicContact CG2-CB 4.05Å; T187-I261 HydrophobicContact CG2-CD1 4.38Å; T187-I261 HydrophobicContact CG2-CG2 3.59Å; T187-R295 HydrophobicContact CG2-CB 4.34Å; T187-R295 VanDerWaalsContact OG1-CD 3.25Å; T187-R295 WeakPolarHBondContact OG1-CD 3.17Å; T187-R295 PolarHBondContact OG1-NH1 2.67Å
188M94.2Very high93.8Very high8 Ų866.3 Ų66.34%0.03936%0.362CS..  trans-97.1165.5168.461.3-175.464.200112.3Y192 I193 F249 F252 F260 A262 L263 R295M188-Y192 HydrophobicContact CB-CD1 4.31Å; M188-Y192 HydrophobicContact SD-CD1 4.48Å; M188-I193 HydrophobicContact CG-CD1 4.35Å; M188-I193 HydrophobicContact SD-CD1 3.8Å; M188-I193 HydrophobicContact SD-CG1 3.89Å; M188-F249 HydrophobicContact CE-CD1 4.11Å; M188-F249 HydrophobicContact CE-CE1 4.43Å; M188-F249 HydrophobicContact SD-CD1 3.76Å; M188-F249 HydrophobicContact SD-CE1 3.58Å; M188-F249 VanDerWaalsContact SD-CE1 3.58Å; M188-F252 HydrophobicContact CB-CD2 4.25Å; M188-F252 HydrophobicContact CB-CE2 4.01Å; M188-F252 HydrophobicContact CE-CB 3.77Å; M188-F252 HydrophobicContact CE-CD1 3.82Å; M188-F252 HydrophobicContact CE-CD2 3.8Å; M188-F252 HydrophobicContact CE-CE1 4.34Å; M188-F252 HydrophobicContact CE-CE2 4.33Å; M188-F252 HydrophobicContact CE-CG 3.51Å; M188-F260 HydrophobicContact CE-CD2 4.38Å; M188-F260 HydrophobicContact CE-CE2 3.84Å; M188-A262 HydrophobicContact CE-CB 4.48Å; M188-L263 HydrophobicContact CG-CB 3.69Å; M188-L263 HydrophobicContact SD-CB 4.33Å; M188-R295 PolarHBondContact O-NH1 3.16Å
189A95.4Very high92.5Very high46 Ų4663.4 Ų63.438%0.3836%0.362SS..  trans-109.5156.6174.700000110.6S191 Y192 I193A189-S191 PolarHBondContact O-N 3.08Å; A189-S191 VanDerWaalsContact O-N 3.16Å; A189-Y192 VanDerWaalsContact O-CB 3.32Å; A189-Y192 WeakPolarHBondContact O-CB 3.2Å; A189-Y192 PolarHBondContact O-N 3.03Å; A189-I193 PolarHBondContact O-N 2.94Å
190H96.8Very high91.2Very high60 Ų6061.6 Ų61.628%0.27836%0.356SS..Hα-helixtrans-54.1-35.6174.1-62.9-68.7000112.8Y192 I193 N194 L263 D265 T266 D297H190-Y192 PolarHBondContact O-N 3.17Å; H190-I193 PolarHBondContact O-N 2.93Å; H190-N194 WeakPolarHBondContact O-CB 3.37Å; H190-N194 VanDerWaalsContact O-CG 3.3Å; H190-N194 PolarHBondContact O-N 3.45Å; H190-N194 PolarHBondContact O-ND2 3.21Å; H190-L263 VanDerWaalsContact CE1-CD2 3.47Å; H190-L263 WeakPolarHBondContact CE1-CD2 3.38Å; H190-L263 WeakPolarHBondContact ND1-CD2 3.39Å; H190-D265 IonicContact CE1-OD1 3.81Å; H190-D265 PolarHBondContact CE1-OD1 3.41Å; H190-T266 HydrophobicContact CB-CG2 4.49Å; H190-T266 PolarHBondContact ND1-OG1 2.93Å; H190-D297 IonicContact NE2-OD2 2.74Å
191S96.5Very high89.8Confident90 Ų9067.3 Ų67.363%0.62938%0.383SS*.Hα-helixtrans-62.7-29.6177.259.60000113.3A189 A195A189-S191 PolarHBondContact O-N 3.08Å; A189-S191 VanDerWaalsContact O-N 3.16Å; S191-A195 PolarHBondContact O-N 2.69Å
192Y97.2Very high88.5Confident71 Ų7169.6 Ų69.628%0.27839%0.389SS..Hα-helixtrans-68.6-47.8173.9176.7-91.9000110M188 A189 H190 A195 F196 A248 F252M188-Y192 HydrophobicContact CB-CD1 4.31Å; M188-Y192 HydrophobicContact SD-CD1 4.48Å; A189-Y192 VanDerWaalsContact O-CB 3.32Å; A189-Y192 WeakPolarHBondContact O-CB 3.2Å; A189-Y192 PolarHBondContact O-N 3.03Å; H190-Y192 PolarHBondContact O-N 3.17Å; Y192-A195 WeakPolarHBondContact O-CB 3.44Å; Y192-A195 PolarHBondContact O-N 3.4Å; Y192-F196 HydrophobicContact CD1-CE2 4.14Å; Y192-F196 HydrophobicContact CD2-CE2 4.35Å; Y192-F196 AromaticContact CE1-CE2 3.72Å; Y192-F196 HydrophobicContact CE1-CE2 3.72Å; Y192-F196 HydrophobicContact CE1-CZ 4.29Å; Y192-F196 AromaticContact CE2-CE2 3.97Å; Y192-F196 HydrophobicContact CE2-CE2 3.97Å; Y192-F196 HydrophobicContact CE2-CZ 4.23Å; Y192-F196 HydrophobicContact CG-CE2 4.42Å; Y192-F196 AromaticContact CZ-CE2 3.62Å; Y192-F196 AromaticContact CZ-CZ 3.82Å; Y192-F196 WeakPolarHBondContact O-CD2 3.39Å; Y192-F196 VanDerWaalsContact O-CE2 3.29Å; Y192-F196 WeakPolarHBondContact O-CE2 3.36Å; Y192-A248 HydrophobicContact CD1-CB 4.39Å; Y192-A248 HydrophobicContact CE1-CB 4.1Å; Y192-A248 WeakPolarHBondContact CE1-O 3.46Å; Y192-A248 PolarHBondContact OH-O 2.94Å; Y192-F252 HydrophobicContact CD1-CD2 4.29Å; Y192-F252 HydrophobicContact CE1-CB 3.92Å; Y192-F252 AromaticContact CE1-CD2 3.77Å; Y192-F252 HydrophobicContact CE1-CD2 3.77Å; Y192-F252 HydrophobicContact CE1-CG 4.33Å; Y192-F252 HydrophobicContact CE2-CD2 4.29Å; Y192-F252 AromaticContact CZ-CD2 3.79Å; Y192-F252 PolarHBondContact OH-N 2.79Å
193I96.7Very high87.4Confident0 Ų073.1 Ų73.10%041%0.406CS..Hα-helixtrans-63.6-45.2179.7-63.8162.7000111M188 A189 H190 A195 F196 E245 A248 F249 L263 T266 Y267M188-I193 HydrophobicContact CG-CD1 4.35Å; M188-I193 HydrophobicContact SD-CD1 3.8Å; M188-I193 HydrophobicContact SD-CG1 3.89Å; A189-I193 PolarHBondContact O-N 2.94Å; H190-I193 PolarHBondContact O-N 2.93Å; I193-A195 PolarHBondContact O-N 2.63Å; I193-A195 VanDerWaalsContact O-N 3.13Å; I193-F196 PolarHBondContact O-N 2.91Å; I193-F196 VanDerWaalsContact O-N 3.12Å; I193-E245 HydrophobicContact CG2-CB 4.06Å; I193-E245 HydrophobicContact CG2-CG 3.92Å; I193-A248 HydrophobicContact CB-CB 4.32Å; I193-A248 HydrophobicContact CG1-CB 4.23Å; I193-A248 HydrophobicContact CG2-CB 4.31Å; I193-F249 HydrophobicContact CD1-CE1 3.74Å; I193-F249 HydrophobicContact CD1-CZ 4.44Å; I193-F249 HydrophobicContact CG1-CE1 4.04Å; I193-L263 HydrophobicContact CD1-CB 3.97Å; I193-L263 HydrophobicContact CD1-CD2 4.4Å; I193-L263 HydrophobicContact CD1-CG 4.42Å; I193-L263 WeakPolarHBondContact CD1-O 3.47Å; I193-T266 HydrophobicContact CB-CG2 4.1Å; I193-T266 WeakPolarHBondContact CD1-OG1 3.33Å; I193-T266 HydrophobicContact CG2-CG2 3.77Å; I193-Y267 HydrophobicContact CG2-CE2 4.01Å
194N94.5Very high86.8Confident90 Ų9076.7 Ų76.748%0.48142%0.421SS..THydrogen-bonded Turntrans-65-14.1178.5-72-23.7000114.1H190 F196 T266 Y267H190-N194 WeakPolarHBondContact O-CB 3.37Å; H190-N194 VanDerWaalsContact O-CG 3.3Å; H190-N194 PolarHBondContact O-N 3.45Å; H190-N194 PolarHBondContact O-ND2 3.21Å; N194-F196 PolarHBondContact O-N 2.9Å; N194-T266 WeakPolarHBondContact OD1-CG2 2.95Å; N194-Y267 PolarHBondContact OD1-OH 3.4Å
195A93.8Very high86.5Confident77 Ų7775.2 Ų75.264%0.63642%0.416SS*.THydrogen-bonded Turntrans-77.1-8.5176.100000112.9S191 Y192 I193S191-A195 PolarHBondContact O-N 2.69Å; Y192-A195 WeakPolarHBondContact O-CB 3.44Å; Y192-A195 PolarHBondContact O-N 3.4Å; I193-A195 PolarHBondContact O-N 2.63Å; I193-A195 VanDerWaalsContact O-N 3.13Å
196F93.6Very high86.5Confident44 Ų4474 Ų7419%0.19341%0.411CS..  trans-105.7123.7178.3-63.2-95.9000109.9Y192 I193 N194 G244 R247 A248 H251Y192-F196 HydrophobicContact CD1-CE2 4.14Å; Y192-F196 HydrophobicContact CD2-CE2 4.35Å; Y192-F196 AromaticContact CE1-CE2 3.72Å; Y192-F196 HydrophobicContact CE1-CE2 3.72Å; Y192-F196 HydrophobicContact CE1-CZ 4.29Å; Y192-F196 AromaticContact CE2-CE2 3.97Å; Y192-F196 HydrophobicContact CE2-CE2 3.97Å; Y192-F196 HydrophobicContact CE2-CZ 4.23Å; Y192-F196 HydrophobicContact CG-CE2 4.42Å; Y192-F196 AromaticContact CZ-CE2 3.62Å; Y192-F196 AromaticContact CZ-CZ 3.82Å; Y192-F196 WeakPolarHBondContact O-CD2 3.39Å; Y192-F196 VanDerWaalsContact O-CE2 3.29Å; Y192-F196 WeakPolarHBondContact O-CE2 3.36Å; I193-F196 PolarHBondContact O-N 2.91Å; I193-F196 VanDerWaalsContact O-N 3.12Å; N194-F196 PolarHBondContact O-N 2.9Å; F196-G244 VanDerWaalsContact CB-O 3.26Å; F196-G244 WeakPolarHBondContact CB-O 3.42Å; F196-R247 HydrophobicContact CB-CB 4.45Å; F196-R247 HydrophobicContact CD1-CB 4.2Å; F196-A248 HydrophobicContact CB-CB 4.14Å; F196-A248 HydrophobicContact CD2-CB 3.33Å; F196-A248 HydrophobicContact CE2-CB 3.82Å; F196-A248 HydrophobicContact CG-CB 3.77Å; F196-H251 AromaticContact CD1-CD2 3.9Å; F196-H251 HydrophobicContact CE1-CB 4Å; F196-H251 AromaticContact CE1-CD2 3.31Å; F196-H251 WeakPolarHBondContact CE1-CD2 3.48Å; F196-H251 AromaticContact CE1-CG 3.73Å; F196-H251 AromaticContact CE1-NE2 3.99Å; F196-H251 HydrophobicContact CZ-CB 4.02Å
197E83.3Confident86.6Confident135 Ų13577.3 Ų77.363%0.63141%0.413SS*.  trans-95.2155.1177.5-63-177.8173.800111N199E197-N199 VanDerWaalsContact C-N 3.31Å; E197-N199 PolarHBondContact O-N 2.93Å
198S76.2Confident86.9Confident37 Ų3775.9 Ų75.926%0.25940%0.404SS..THydrogen-bonded Turntrans-70.4-25.6176.8-58.10000113.9G244 R247S198-G244 PolarHBondContact OG-N 3.48Å; S198-R247 PolarHBondContact O-NH1 2.73Å; S198-R247 PolarHBondContact O-NH2 3.35Å
199N69.9Low86.8Confident145 Ų14581.5 Ų81.578%0.77543%0.433SS*.THydrogen-bonded Turntrans-130.836.6-167.7-68.2-30.7000112.8E197 K201E197-N199 VanDerWaalsContact C-N 3.31Å; E197-N199 PolarHBondContact O-N 2.93Å; N199-K201 PolarHBondContact O-N 3.45Å
200S67Low86.6Confident44 Ų4481.7 Ų81.731%0.30843%0.427SS..  trans-68.9129.2-177.9166.40000110.2H202 E203S200-H202 PolarHBondContact O-N 3.02Å; S200-H202 PolarHBondContact OG-N 3.24Å; S200-E203 PolarHBondContact N-OE1 2.86Å; S200-E203 WeakPolarHBondContact O-CG 3.44Å
201K66.9Low86.1Confident194 Ų19488.7 Ų88.784%0.84346%0.46SS*.THydrogen-bonded Turntrans-70.2-9176.6-69.3-177.1178.31790113.3N199N199-K201 PolarHBondContact O-N 3.45Å
202H69.4Low85.7Confident169 Ų16988.9 Ų88.978%0.78245%0.454SS*.THydrogen-bonded Turntrans-131.447.2-173.8-60.6-58.6000111.3S200 L204S200-H202 PolarHBondContact O-N 3.02Å; S200-H202 PolarHBondContact OG-N 3.24Å; H202-L204 PolarHBondContact O-N 3.31Å
203E74.1Confident85.4Confident76 Ų7687.8 Ų87.836%0.35547%0.465SS..PPolyproline II helixtrans-71.2123177.5-73.4172.2-174.100110.8S200 R247S200-E203 PolarHBondContact N-OE1 2.86Å; S200-E203 WeakPolarHBondContact O-CG 3.44Å; E203-R247 IonicContact OE1-CZ 3.96Å; E203-R247 IonicContact OE1-NE 3.05Å; E203-R247 PolarHBondContact OE1-NE 3.02Å; E203-R247 IonicContact OE1-NH1 3.29Å; E203-R247 IonicContact OE1-NH2 2.76Å; E203-R247 PolarHBondContact OE1-NH2 2.96Å; E203-R247 IonicContact OE2-CZ 2.71Å; E203-R247 IonicContact OE2-NE 2.64Å; E203-R247 PolarHBondContact OE2-NE 3.37Å; E203-R247 IonicContact OE2-NH2 3.35Å; E203-R247 PolarHBondContact OE2-NH2 3.24Å
204L85.3Confident85.1Confident132 Ų13294 Ų9469%0.69149%0.491SS*.PPolyproline II helixtrans-81.7145.4167.9-67.2172.4000108.7H202 H251H202-L204 PolarHBondContact O-N 3.31Å; L204-H251 PolarHBondContact O-CE1 3.42Å; L204-H251 PolarHBondContact O-NE2 2.89Å
205P90.9Very high85.1Confident50 Ų5093.3 Ų93.333%0.32549%0.492SS..PPolyproline II helixtrans-60.1149.1170.924.5-32.6000111.2E207 D217 H251P205-E207 HydrophobicContact CB-CG 3.83Å; P205-E207 HydrophobicContact CG-CG 3.67Å; P205-E207 PolarHBondContact O-N 3.29Å; P205-D217 HydrophobicContact CB-CB 3.84Å; P205-D217 VanDerWaalsContact CB-CG 3.45Å; P205-D217 WeakPolarHBondContact CB-OD2 3.4Å; P205-H251 PolarHBondContact O-CE1 2.85Å
206A94Very high85.2Confident1 Ų191.2 Ų91.21%0.00847%0.471CS..  trans-82.670.417000000108.9M208 D217 L218 I219 A250 A254A206-M208 PolarHBondContact O-N 3.12Å; A206-D217 PolarHBondContact N-OD1 3.17Å; A206-L218 HydrophobicContact CB-CB 4.37Å; A206-L218 PolarHBondContact O-N 3.27Å; A206-L218 VanDerWaalsContact O-N 3.13Å; A206-I219 HydrophobicContact CB-CD1 4.06Å; A206-I219 HydrophobicContact CB-CG1 3.77Å; A206-A250 HydrophobicContact CB-CB 3.94Å; A206-A254 HydrophobicContact CB-CB 4.25Å
207E94.8Very high85.3Confident121 Ų12191.7 Ų91.757%0.56548%0.476SS*.EExtended strand (participates in β ladder)trans-70.8122.1-175.2-71.1-177.6165.300112.1P205 P215 V216P205-E207 HydrophobicContact CB-CG 3.83Å; P205-E207 HydrophobicContact CG-CG 3.67Å; P205-E207 PolarHBondContact O-N 3.29Å; E207-P215 HydrophobicContact CG-CB 4.47Å; E207-V216 WeakPolarHBondContact CA-O 3.4Å
208M95.1Very high85.9Confident4 Ų485.3 Ų85.32%0.0245%0.446CS..EExtended strand (participates in β ladder)trans-112.7136.7168.8-172.5177.674.100108.8A206 L210 P215 V216 L218 A254 P257 L284 F287A206-M208 PolarHBondContact O-N 3.12Å; M208-L210 HydrophobicContact CE-CD2 4.08Å; M208-P215 CarbonylContact O-C 3.56Å; M208-P215 WeakPolarHBondContact O-CA 3.46Å; M208-V216 HydrophobicContact CB-CG1 4.27Å; M208-V216 HydrophobicContact CE-CG1 4.17Å; M208-V216 PolarHBondContact N-O 3.1Å; M208-V216 PolarHBondContact O-N 2.62Å; M208-L218 HydrophobicContact CB-CD1 4.47Å; M208-L218 HydrophobicContact CB-CG 4.41Å; M208-L218 HydrophobicContact CE-CD2 4.16Å; M208-L218 HydrophobicContact SD-CD1 4.28Å; M208-A254 HydrophobicContact CB-CB 4Å; M208-P257 HydrophobicContact SD-CB 3.72Å; M208-P257 HydrophobicContact SD-CG 4.1Å; M208-L284 HydrophobicContact SD-CD2 3.8Å; M208-F287 HydrophobicContact CE-CB 3.61Å; M208-F287 HydrophobicContact CE-CD2 3.68Å; M208-F287 HydrophobicContact CE-CG 3.73Å
209L91.7Very high86.8Confident125 Ų12584.4 Ų84.465%0.65444%0.438SS*.EExtended strand (participates in β ladder)trans-85.5126174.4-64.8176000109.8P215L209-P215 HydrophobicContact CD2-CB 4.2Å
210L90.3Very high88Confident50 Ų5081.3 Ų81.326%0.26243%0.426SS..  trans-75.4168.7171.6-58.3-179.7000111M208 D212 G213 K214 V216 F287M208-L210 HydrophobicContact CE-CD2 4.08Å; L210-D212 WeakPolarHBondContact CB-OD1 3.23Å; L210-D212 PolarHBondContact O-N 3.26Å; L210-D212 VanDerWaalsContact O-N 3.16Å; L210-G213 WeakPolarHBondContact O-CA 3.36Å; L210-G213 PolarHBondContact O-N 3.45Å; L210-K214 WeakPolarHBondContact CG-O 3.1Å; L210-K214 PolarHBondContact N-O 2.64Å; L210-V216 HydrophobicContact CD2-CG1 3.83Å; L210-V216 HydrophobicContact CG-CG1 4.17Å; L210-F287 HydrophobicContact CD1-CD1 4.44Å; L210-F287 HydrophobicContact CD2-CB 4.08Å; L210-F287 HydrophobicContact CD2-CD1 3.42Å; L210-F287 VanDerWaalsContact CD2-CD1 3.42Å; L210-F287 HydrophobicContact CD2-CE1 4.07Å; L210-F287 HydrophobicContact CD2-CG 3.87Å
211E85.8Confident89.5Confident207 Ų20780.6 Ų80.697%0.96742%0.418SS*.THydrogen-bonded Turntrans-57.2-29.9177.6-66.2-172.6163.800113.3G213E211-G213 PolarHBondContact O-N 3.07Å
212D89.6Confident90.9Very high94 Ų9471.3 Ų71.350%0.50338%0.378SS..THydrogen-bonded Turntrans-82.72.8176.175.9-11.8000113.7L210 K214L210-D212 WeakPolarHBondContact CB-OD1 3.23Å; L210-D212 PolarHBondContact O-N 3.26Å; L210-D212 VanDerWaalsContact O-N 3.16Å; D212-K214 VanDerWaalsContact C-N 3.3Å; D212-K214 PolarHBondContact O-N 3.22Å; D212-K214 VanDerWaalsContact OD1-CB 3.31Å; D212-K214 WeakPolarHBondContact OD1-CB 3.32Å; D212-K214 WeakPolarHBondContact OD1-CG 3.43Å; D212-K214 PolarHBondContact OD1-N 3.21Å; D212-K214 WeakPolarHBondContact OD2-CD 3.39Å; D212-K214 WeakPolarHBondContact OD2-CE 3.48Å; D212-K214 IonicContact OD2-NZ 2.74Å; D212-K214 PolarHBondContact OD2-NZ 3.11Å
213G89.4Confident92.2Very high48 Ų4866.8 Ų66.850%0.49536%0.359SS..SBendtrans80.21-179.600000114.8L210 E211L210-G213 WeakPolarHBondContact O-CA 3.36Å; L210-G213 PolarHBondContact O-N 3.45Å; E211-G213 PolarHBondContact O-N 3.07Å
214K92.4Very high93.3Very high130 Ų13068.6 Ų68.657%0.56537%0.367SS*.  trans-74.9133.4176-66.9-176.5-169.6123.60110.5L210 D212L210-K214 WeakPolarHBondContact CG-O 3.1Å; L210-K214 PolarHBondContact N-O 2.64Å; D212-K214 VanDerWaalsContact C-N 3.3Å; D212-K214 PolarHBondContact O-N 3.22Å; D212-K214 VanDerWaalsContact OD1-CB 3.31Å; D212-K214 WeakPolarHBondContact OD1-CB 3.32Å; D212-K214 WeakPolarHBondContact OD1-CG 3.43Å; D212-K214 PolarHBondContact OD1-N 3.21Å; D212-K214 WeakPolarHBondContact OD2-CD 3.39Å; D212-K214 WeakPolarHBondContact OD2-CE 3.48Å; D212-K214 IonicContact OD2-NZ 2.74Å; D212-K214 PolarHBondContact OD2-NZ 3.11Å
215P93.6Very high93.9Very high76 Ų7663.4 Ų63.449%0.49434%0.339SS..EExtended strand (participates in β ladder)trans-73.9142.2171.831-33.3000110.4E207 M208 L209E207-P215 HydrophobicContact CG-CB 4.47Å; M208-P215 CarbonylContact O-C 3.56Å; M208-P215 WeakPolarHBondContact O-CA 3.46Å; L209-P215 HydrophobicContact CD2-CB 4.2Å
216V95.1Very high94.2Very high33 Ų3362.4 Ų62.420%0.233%0.328CS..EExtended strand (participates in β ladder)trans-127.9134.9167.267.30000109.6E207 M208 L210 L218 F287E207-V216 WeakPolarHBondContact CA-O 3.4Å; M208-V216 HydrophobicContact CB-CG1 4.27Å; M208-V216 HydrophobicContact CE-CG1 4.17Å; M208-V216 PolarHBondContact N-O 3.1Å; M208-V216 PolarHBondContact O-N 2.62Å; L210-V216 HydrophobicContact CD2-CG1 3.83Å; L210-V216 HydrophobicContact CG-CG1 4.17Å; V216-L218 HydrophobicContact CG1-CD2 4.4Å; V216-F287 HydrophobicContact CB-CE1 4.48Å; V216-F287 HydrophobicContact CB-CZ 4.3Å; V216-F287 HydrophobicContact CG1-CD1 4.47Å; V216-F287 HydrophobicContact CG1-CD2 4.47Å; V216-F287 HydrophobicContact CG1-CE1 4.09Å; V216-F287 HydrophobicContact CG1-CE2 4.09Å; V216-F287 HydrophobicContact CG1-CZ 3.9Å; V216-F287 HydrophobicContact CG2-CE1 4.11Å; V216-F287 HydrophobicContact CG2-CE2 4.33Å; V216-F287 HydrophobicContact CG2-CZ 3.61Å
217D95.5Very high94.3Very high55 Ų5565.2 Ų65.229%0.29434%0.344SS..EExtended strand (participates in β ladder)trans-84.4119.7171.6-17911.5000109.7P205 A206 I219 P220P205-D217 HydrophobicContact CB-CB 3.84Å; P205-D217 VanDerWaalsContact CB-CG 3.45Å; P205-D217 WeakPolarHBondContact CB-OD2 3.4Å; A206-D217 PolarHBondContact N-OD1 3.17Å; D217-I219 VanDerWaalsContact C-N 3.33Å; D217-I219 PolarHBondContact OD1-N 2.96Å; D217-P220 WeakPolarHBondContact OD2-CD 3.48Å
218L96Very high94.3Very high0 Ų062.3 Ų62.30%033%0.33CS..Hα-helixtrans-74.3-21.8179.6-66-175.9000113.2A206 M208 V216 L221 C222 A253 A254 L284 F287A206-L218 HydrophobicContact CB-CB 4.37Å; A206-L218 PolarHBondContact O-N 3.27Å; A206-L218 VanDerWaalsContact O-N 3.13Å; M208-L218 HydrophobicContact CB-CD1 4.47Å; M208-L218 HydrophobicContact CB-CG 4.41Å; M208-L218 HydrophobicContact CE-CD2 4.16Å; M208-L218 HydrophobicContact SD-CD1 4.28Å; V216-L218 HydrophobicContact CG1-CD2 4.4Å; L218-L221 PolarHBondContact O-N 3.48Å; L218-C222 WeakPolarHBondContact O-CB 3.05Å; L218-C222 PolarHBondContact O-N 3.14Å; L218-C222 PolarHBondContact O-SG 3.07Å; L218-A253 HydrophobicContact CD1-CB 4.34Å; L218-A254 HydrophobicContact CD1-CB 3.87Å; L218-A254 HydrophobicContact CG-CB 4.46Å; L218-L284 HydrophobicContact CD1-CD2 3.84Å; L218-F287 HydrophobicContact CD2-CD2 3.83Å; L218-F287 HydrophobicContact CD2-CE2 3.57Å
219I95.6Very high94.4Very high19 Ų1962.1 Ų62.110%0.09733%0.329CS..Hα-helixtrans-59.6-50.3-170.1-67.8170.2000112.7A206 D217 L221 C222 I223 R247 A250A206-I219 HydrophobicContact CB-CD1 4.06Å; A206-I219 HydrophobicContact CB-CG1 3.77Å; D217-I219 VanDerWaalsContact C-N 3.33Å; D217-I219 PolarHBondContact OD1-N 2.96Å; I219-L221 VanDerWaalsContact C-N 3.28Å; I219-L221 PolarHBondContact O-N 3.38Å; I219-C222 WeakPolarHBondContact O-CB 3.43Å; I219-C222 PolarHBondContact O-N 3.47Å; I219-C222 VanDerWaalsContact O-N 3.17Å; I219-I223 HydrophobicContact CG2-CD1 3.86Å; I219-I223 HydrophobicContact CG2-CG1 4.44Å; I219-I223 WeakPolarHBondContact O-CG1 3.47Å; I219-I223 PolarHBondContact O-N 2.98Å; I219-R247 HydrophobicContact CD1-CG 4.43Å; I219-A250 HydrophobicContact CG1-CB 4.02Å
220P95.8Very high94.5Very high79 Ų7956.4 Ų56.451%0.51330%0.299SS..Hα-helixtrans-59-40.5179.7-2535.1000112.6D217 I223 Q224D217-P220 WeakPolarHBondContact OD2-CD 3.48Å; P220-I223 PolarHBondContact O-N 3.17Å; P220-Q224 PolarHBondContact O-N 3.02Å
221L97.2Very high94.7Very high29 Ų2960.3 Ų60.315%0.15232%0.319CS..Hα-helixtrans-69.1-38.8178.6-170.560.5000111.4L218 I219 I223 Q224 Y225 A283 D286 F287L218-L221 PolarHBondContact O-N 3.48Å; I219-L221 VanDerWaalsContact C-N 3.28Å; I219-L221 PolarHBondContact O-N 3.38Å; L221-I223 PolarHBondContact O-N 2.87Å; L221-Q224 PolarHBondContact O-N 3.41Å; L221-Y225 HydrophobicContact CD1-CD2 3.97Å; L221-Y225 HydrophobicContact CD1-CE2 3.6Å; L221-Y225 HydrophobicContact CD2-CE2 4.17Å; L221-Y225 HydrophobicContact CG-CD2 3.8Å; L221-Y225 HydrophobicContact CG-CE2 3.69Å; L221-Y225 WeakPolarHBondContact O-CD2 3.44Å; L221-Y225 PolarHBondContact O-N 3.35Å; L221-A283 HydrophobicContact CB-CB 4.19Å; L221-A283 HydrophobicContact CD2-CB 3.85Å; L221-A283 HydrophobicContact CG-CB 3.83Å; L221-D286 HydrophobicContact CD2-CB 4.19Å; L221-F287 HydrophobicContact CD2-CE2 3.62Å; L221-F287 HydrophobicContact CD2-CZ 4.04Å
222C97.6Very high95.1Very high0 Ų051.3 Ų51.30%028%0.28CS..Hα-helixtrans-61.7-42.6173.2-67.70000111.2L218 I219 Q224 Y225 R226 L246 A279 C280L218-C222 WeakPolarHBondContact O-CB 3.05Å; L218-C222 PolarHBondContact O-N 3.14Å; L218-C222 PolarHBondContact O-SG 3.07Å; I219-C222 WeakPolarHBondContact O-CB 3.43Å; I219-C222 PolarHBondContact O-N 3.47Å; I219-C222 VanDerWaalsContact O-N 3.17Å; C222-Q224 VanDerWaalsContact C-N 3.35Å; C222-Q224 PolarHBondContact O-N 3.25Å; C222-Y225 PolarHBondContact O-N 3.39Å; C222-R226 VanDerWaalsContact O-CB 3.3Å; C222-R226 WeakPolarHBondContact O-CB 3.11Å; C222-R226 PolarHBondContact O-N 2.83Å; C222-L246 HydrophobicContact CB-CD1 4.13Å; C222-L246 HydrophobicContact CB-CD2 4.44Å; C222-L246 HydrophobicContact CB-CG 4.4Å; C222-A279 WeakPolarHBondContact O-CB 3.37Å; C222-C280 VanDerWaalsContact SG-SG 3.62Å
223I96.2Very high95.2Very high73 Ų7347.9 Ų47.937%0.37426%0.262SS..Hα-helixtrans-62-44.5176.2-67.4166.6000110.5I219 P220 L221 R226 D227 L246I219-I223 HydrophobicContact CG2-CD1 3.86Å; I219-I223 HydrophobicContact CG2-CG1 4.44Å; I219-I223 WeakPolarHBondContact O-CG1 3.47Å; I219-I223 PolarHBondContact O-N 2.98Å; P220-I223 PolarHBondContact O-N 3.17Å; L221-I223 PolarHBondContact O-N 2.87Å; I223-R226 WeakPolarHBondContact O-CB 3.4Å; I223-R226 PolarHBondContact O-N 3.38Å; I223-D227 PolarHBondContact O-N 2.66Å; I223-L246 HydrophobicContact CG1-CD2 3.86Å
224Q97.2Very high95.2Very high114 Ų11452.3 Ų52.353%0.53327%0.274SS..Hα-helixtrans-61.8-45176.9-177-177.4-14.700112.2P220 L221 C222 R226 D227 Q228P220-Q224 PolarHBondContact O-N 3.02Å; L221-Q224 PolarHBondContact O-N 3.41Å; C222-Q224 VanDerWaalsContact C-N 3.35Å; C222-Q224 PolarHBondContact O-N 3.25Å; Q224-R226 VanDerWaalsContact C-N 3.34Å; Q224-D227 PolarHBondContact O-N 3.09Å; Q224-Q228 PolarHBondContact O-N 2.65Å
225Y97.8Very high94.7Very high23 Ų2349 Ų499%0.0926%0.26CS..Hα-helixtrans-68.9-32.5176.8-83.9-61.6000112.7L221 C222 D227 Q228 V229 L282 A283 D286 F319L221-Y225 HydrophobicContact CD1-CD2 3.97Å; L221-Y225 HydrophobicContact CD1-CE2 3.6Å; L221-Y225 HydrophobicContact CD2-CE2 4.17Å; L221-Y225 HydrophobicContact CG-CD2 3.8Å; L221-Y225 HydrophobicContact CG-CE2 3.69Å; L221-Y225 WeakPolarHBondContact O-CD2 3.44Å; L221-Y225 PolarHBondContact O-N 3.35Å; C222-Y225 PolarHBondContact O-N 3.39Å; Y225-D227 VanDerWaalsContact C-N 3.27Å; Y225-D227 PolarHBondContact O-N 3.04Å; Y225-Q228 CarbonylContact O-C 3.58Å; Y225-Q228 PolarHBondContact O-N 2.98Å; Y225-Q228 VanDerWaalsContact O-N 3.13Å; Y225-V229 VanDerWaalsContact O-CG2 3.27Å; Y225-V229 WeakPolarHBondContact O-CG2 3.24Å; Y225-V229 PolarHBondContact O-N 2.69Å; Y225-L282 HydrophobicContact CD1-CB 3.62Å; Y225-L282 HydrophobicContact CD1-CD1 3.85Å; Y225-L282 HydrophobicContact CD1-CG 4.28Å; Y225-L282 HydrophobicContact CD2-CB 3.9Å; Y225-L282 HydrophobicContact CE1-CB 3.95Å; Y225-L282 HydrophobicContact CE2-CB 4.22Å; Y225-L282 HydrophobicContact CG-CB 3.61Å; Y225-L282 HydrophobicContact CG-CD1 4.3Å; Y225-A283 HydrophobicContact CD2-CB 4.05Å; Y225-D286 PolarHBondContact OH-OD1 3.37Å; Y225-D286 PolarHBondContact OH-OD2 3.21Å; Y225-F319 HydrophobicContact CD1-CE1 4.24Å; Y225-F319 HydrophobicContact CD1-CZ 4.36Å; Y225-F319 HydrophobicContact CE1-CE1 4.05Å
226R96.9Very high93.8Very high29 Ų2947.9 Ų47.911%0.10926%0.262CS..Hα-helixtrans-59.5-41.4174.9-170.5171.866.6171.32.1111.4C222 I223 Q224 Q228 V229 Y230 D243 I275 N276 A279C222-R226 VanDerWaalsContact O-CB 3.3Å; C222-R226 WeakPolarHBondContact O-CB 3.11Å; C222-R226 PolarHBondContact O-N 2.83Å; I223-R226 WeakPolarHBondContact O-CB 3.4Å; I223-R226 PolarHBondContact O-N 3.38Å; Q224-R226 VanDerWaalsContact C-N 3.34Å; R226-Q228 VanDerWaalsContact C-N 3.34Å; R226-Q228 PolarHBondContact O-N 3.48Å; R226-V229 PolarHBondContact O-N 2.75Å; R226-Y230 HydrophobicContact CG-CD2 4.13Å; R226-Y230 HydrophobicContact CG-CE2 3.83Å; R226-Y230 VanDerWaalsContact O-CD2 3.25Å; R226-Y230 WeakPolarHBondContact O-CD2 3.5Å; R226-Y230 PolarHBondContact O-N 3.05Å; R226-D243 IonicContact CZ-OD1 2.97Å; R226-D243 IonicContact NH1-OD1 2.92Å; R226-D243 PolarHBondContact NH1-OD1 3.44Å; R226-D243 IonicContact NH2-OD1 2.7Å; R226-D243 PolarHBondContact NH2-OD1 3.33Å; R226-I275 HydrophobicContact CG-CG2 3.77Å; R226-N276 VanDerWaalsContact CD-OD1 3.28Å; R226-N276 WeakPolarHBondContact CD-OD1 3.39Å; R226-A279 HydrophobicContact CB-CB 3.75Å; R226-A279 HydrophobicContact CG-CB 4.45Å
227D95.6Very high92.9Very high61 Ų6154 Ų5433%0.32629%0.294SS..Hα-helixtrans-63.4-39.9175-80.111.2000112.2I223 Q224 Y225 Y230 L231 R239I223-D227 PolarHBondContact O-N 2.66Å; Q224-D227 PolarHBondContact O-N 3.09Å; Y225-D227 VanDerWaalsContact C-N 3.27Å; Y225-D227 PolarHBondContact O-N 3.04Å; D227-Y230 PolarHBondContact O-N 3.26Å; D227-L231 PolarHBondContact O-N 2.85Å; D227-L231 VanDerWaalsContact O-N 3.11Å; D227-R239 IonicContact OD1-CZ 3.06Å; D227-R239 IonicContact OD1-NH1 3Å; D227-R239 PolarHBondContact OD1-NH1 3.17Å; D227-R239 IonicContact OD2-CZ 3.98Å; D227-R239 IonicContact OD2-NH1 2.73Å; D227-R239 PolarHBondContact OD2-NH1 3.05Å
228Q95.5Very high92.1Very high60 Ų6058.3 Ų58.328%0.2831%0.31SS..Hα-helixtrans-68.1-37.9174.9-65.1-179.155.300112.3Q224 Y225 R226 Y230 L231 A232 F319Q224-Q228 PolarHBondContact O-N 2.65Å; Y225-Q228 CarbonylContact O-C 3.58Å; Y225-Q228 PolarHBondContact O-N 2.98Å; Y225-Q228 VanDerWaalsContact O-N 3.13Å; R226-Q228 VanDerWaalsContact C-N 3.34Å; R226-Q228 PolarHBondContact O-N 3.48Å; Q228-Y230 VanDerWaalsContact C-N 3.35Å; Q228-L231 WeakPolarHBondContact O-CB 3.44Å; Q228-L231 PolarHBondContact O-N 3.01Å; Q228-A232 WeakPolarHBondContact O-CB 3.48Å; Q228-A232 PolarHBondContact O-N 3.45Å; Q228-F319 HydrophobicContact CB-CE1 4.46Å; Q228-F319 HydrophobicContact CB-CZ 3.94Å
229V96.5Very high91.7Very high0 Ų064.7 Ų64.70%033%0.334CS..Hα-helixtrans-63.4-42175170.80000110.6Y225 R226 L231 A232 L233 I275 C278 L282 M315Y225-V229 VanDerWaalsContact O-CG2 3.27Å; Y225-V229 WeakPolarHBondContact O-CG2 3.24Å; Y225-V229 PolarHBondContact O-N 2.69Å; R226-V229 PolarHBondContact O-N 2.75Å; V229-L231 VanDerWaalsContact C-N 3.33Å; V229-L231 PolarHBondContact O-N 3.24Å; V229-A232 PolarHBondContact O-N 3.44Å; V229-L233 HydrophobicContact CG1-CD1 3.8Å; V229-L233 HydrophobicContact CG1-CG 4.41Å; V229-L233 WeakPolarHBondContact O-CB 3.43Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 3.05Å; V229-I275 HydrophobicContact CG1-CB 4.41Å; V229-I275 HydrophobicContact CG1-CG1 4.35Å; V229-I275 HydrophobicContact CG1-CG2 4.1Å; V229-C278 HydrophobicContact CG1-CB 4.18Å; V229-C278 HydrophobicContact CG2-CB 3.78Å; V229-L282 HydrophobicContact CG2-CD1 3.78Å; V229-M315 HydrophobicContact CB-SD 4.45Å; V229-M315 HydrophobicContact CG1-SD 4.22Å; V229-M315 HydrophobicContact CG2-SD 4.03Å
230Y95.6Very high91.4Very high5 Ų568.1 Ų68.12%0.0235%0.349CS..Hα-helixtrans-60.1-42.7174.2-82.8-54.8000112.7R226 D227 Q228 L233 D234 F235 R239 E240 A241 I275R226-Y230 HydrophobicContact CG-CD2 4.13Å; R226-Y230 HydrophobicContact CG-CE2 3.83Å; R226-Y230 VanDerWaalsContact O-CD2 3.25Å; R226-Y230 WeakPolarHBondContact O-CD2 3.5Å; R226-Y230 PolarHBondContact O-N 3.05Å; D227-Y230 PolarHBondContact O-N 3.26Å; Q228-Y230 VanDerWaalsContact C-N 3.35Å; Y230-L233 PolarHBondContact O-N 3.35Å; Y230-D234 PolarHBondContact O-N 3.44Å; Y230-F235 HydrophobicContact CD1-CB 3.64Å; Y230-F235 HydrophobicContact CD1-CD1 4.43Å; Y230-F235 HydrophobicContact CD1-CD2 4.09Å; Y230-F235 AromaticContact CD1-CG 3.81Å; Y230-F235 HydrophobicContact CD1-CG 3.81Å; Y230-F235 HydrophobicContact CE1-CB 4.32Å; Y230-F235 HydrophobicContact CE1-CD1 4.38Å; Y230-F235 HydrophobicContact CE1-CG 4.21Å; Y230-F235 PolarHBondContact O-N 3.22Å; Y230-F235 VanDerWaalsContact O-N 3.17Å; Y230-R239 HydrophobicContact CD1-CG 4.45Å; Y230-R239 HydrophobicContact CD2-CB 4.37Å; Y230-R239 HydrophobicContact CD2-CG 3.82Å; Y230-R239 HydrophobicContact CE1-CB 4.48Å; Y230-R239 HydrophobicContact CE1-CG 4.43Å; Y230-R239 HydrophobicContact CE2-CB 3.82Å; Y230-R239 HydrophobicContact CE2-CG 3.8Å; Y230-R239 HydrophobicContact CG-CG 4.16Å; Y230-E240 PolarHBondContact OH-N 2.82Å; Y230-A241 WeakPolarHBondContact OH-CB 3.38Å; Y230-A241 PolarHBondContact OH-N 3.29Å; Y230-I275 HydrophobicContact CD1-CD1 4.32Å; Y230-I275 HydrophobicContact CE1-CD1 3.62Å; Y230-I275 HydrophobicContact CE1-CG1 4.42Å; Y230-I275 HydrophobicContact CE1-CG2 4.11Å; Y230-I275 HydrophobicContact CE2-CG2 4.14Å
231L93.2Very high91.4Very high131 Ų13164.9 Ų64.969%0.68633%0.329SS*.Hα-helixtrans-63.8-48.4176.3-176.267000111.2D227 Q228 V229 L233 D234D227-L231 PolarHBondContact O-N 2.85Å; D227-L231 VanDerWaalsContact O-N 3.11Å; Q228-L231 WeakPolarHBondContact O-CB 3.44Å; Q228-L231 PolarHBondContact O-N 3.01Å; V229-L231 VanDerWaalsContact C-N 3.33Å; V229-L231 PolarHBondContact O-N 3.24Å; L231-L233 PolarHBondContact O-N 3.45Å; L231-D234 PolarHBondContact O-N 2.9Å
232A93.9Very high91.3Very high18 Ų1865.3 Ų65.315%0.14933%0.332CS..Hα-helixtrans-67.2-18.9-178.100000113.9Q228 V229 M315 H318Q228-A232 WeakPolarHBondContact O-CB 3.48Å; Q228-A232 PolarHBondContact O-N 3.45Å; V229-A232 PolarHBondContact O-N 3.44Å; A232-M315 HydrophobicContact CB-CE 3.51Å; A232-M315 HydrophobicContact CB-SD 4.25Å; A232-H318 HydrophobicContact CB-CB 4.41Å
233L93.2Very high91.1Very high22 Ų2268 Ų6812%0.11535%0.346CS..THydrogen-bonded Turntrans-104.56.7177.9-65.3179.9000113.9V229 Y230 L231 F235 I275 V311 K314 M315V229-L233 HydrophobicContact CG1-CD1 3.8Å; V229-L233 HydrophobicContact CG1-CG 4.41Å; V229-L233 WeakPolarHBondContact O-CB 3.43Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 3.05Å; Y230-L233 PolarHBondContact O-N 3.35Å; L231-L233 PolarHBondContact O-N 3.45Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-F235 HydrophobicContact CB-CD2 3.56Å; L233-F235 HydrophobicContact CB-CE2 3.68Å; L233-F235 HydrophobicContact CD1-CE2 4Å; L233-F235 PolarHBondContact O-N 3.05Å; L233-I275 HydrophobicContact CD1-CG1 4.46Å; L233-V311 HydrophobicContact CD1-CG1 3.93Å; L233-V311 HydrophobicContact CD1-CG2 4.33Å; L233-V311 HydrophobicContact CD2-CG1 4.17Å; L233-V311 HydrophobicContact CD2-CG2 4.18Å; L233-K314 HydrophobicContact CD2-CB 4.46Å; L233-K314 HydrophobicContact CD2-CD 3.94Å; L233-M315 HydrophobicContact CD2-CE 3.64Å; L233-M315 HydrophobicContact CG-CE 3.87Å
234D88.3Confident91.1Very high142 Ų14264.5 Ų64.576%0.75933%0.328SS*.THydrogen-bonded Turntrans57.237.1177.9-57.2-53.6000114.6Y230 L231 G236Y230-D234 PolarHBondContact O-N 3.44Å; L231-D234 PolarHBondContact O-N 2.9Å; D234-G236 VanDerWaalsContact C-N 3.29Å; D234-G236 PolarHBondContact O-N 3.46Å
235F82.2Confident91.1Very high60 Ų6059.1 Ų59.126%0.26330%0.303SS..  trans-75.5-14.5179.1-88.4-94.6000114.2Y230 L233 D237 K238 I275Y230-F235 HydrophobicContact CD1-CB 3.64Å; Y230-F235 HydrophobicContact CD1-CD1 4.43Å; Y230-F235 HydrophobicContact CD1-CD2 4.09Å; Y230-F235 AromaticContact CD1-CG 3.81Å; Y230-F235 HydrophobicContact CD1-CG 3.81Å; Y230-F235 HydrophobicContact CE1-CB 4.32Å; Y230-F235 HydrophobicContact CE1-CD1 4.38Å; Y230-F235 HydrophobicContact CE1-CG 4.21Å; Y230-F235 PolarHBondContact O-N 3.22Å; Y230-F235 VanDerWaalsContact O-N 3.17Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-F235 HydrophobicContact CB-CD2 3.56Å; L233-F235 HydrophobicContact CB-CE2 3.68Å; L233-F235 HydrophobicContact CD1-CE2 4Å; L233-F235 PolarHBondContact O-N 3.05Å; F235-D237 PolarHBondContact O-N 3.49Å; F235-K238 PolarHBondContact O-N 2.82Å; F235-I275 HydrophobicContact CE1-CD1 4.33Å; F235-I275 HydrophobicContact CE2-CD1 4.12Å; F235-I275 HydrophobicContact CZ-CD1 3.92Å
236G75.7Confident91Very high53 Ų5358.2 Ų58.255%0.54630%0.3SS..THydrogen-bonded Turntrans57.1-131.4-173.900000111.8D234 K238D234-G236 VanDerWaalsContact C-N 3.29Å; D234-G236 PolarHBondContact O-N 3.46Å; G236-K238 VanDerWaalsContact C-N 3.31Å; G236-K238 PolarHBondContact O-N 3.34Å
237D75.7Confident91Very high160 Ų16059 Ų5986%0.85630%0.303SS*.THydrogen-bonded Turntrans-83-1.6-179.4-60.9-36.2000114.1F235 R239F235-D237 PolarHBondContact O-N 3.49Å; D237-R239 VanDerWaalsContact C-N 3.26Å; D237-R239 PolarHBondContact O-N 2.98Å
238K79Confident91Very high146 Ų14656 Ų5664%0.63529%0.287SS*.  trans-81.468.6-177.7-65-177.3180177.60111.8F235 G236 E240F235-K238 PolarHBondContact O-N 2.82Å; G236-K238 VanDerWaalsContact C-N 3.31Å; G236-K238 PolarHBondContact O-N 3.34Å; K238-E240 PolarHBondContact O-N 3.42Å
239R87.3Confident91.2Very high135 Ų13553.2 Ų53.251%0.50927%0.274SS..  trans-92.195.8177.5-57.6-172-174.2-170.43110.7D227 Y230 D237D227-R239 IonicContact OD1-CZ 3.06Å; D227-R239 IonicContact OD1-NH1 3Å; D227-R239 PolarHBondContact OD1-NH1 3.17Å; D227-R239 IonicContact OD2-CZ 3.98Å; D227-R239 IonicContact OD2-NH1 2.73Å; D227-R239 PolarHBondContact OD2-NH1 3.05Å; Y230-R239 HydrophobicContact CD1-CG 4.45Å; Y230-R239 HydrophobicContact CD2-CB 4.37Å; Y230-R239 HydrophobicContact CD2-CG 3.82Å; Y230-R239 HydrophobicContact CE1-CB 4.48Å; Y230-R239 HydrophobicContact CE1-CG 4.43Å; Y230-R239 HydrophobicContact CE2-CB 3.82Å; Y230-R239 HydrophobicContact CE2-CG 3.8Å; Y230-R239 HydrophobicContact CG-CG 4.16Å; D237-R239 VanDerWaalsContact C-N 3.26Å; D237-R239 PolarHBondContact O-N 2.98Å
240E90Very high91.2Very high90 Ų9053.2 Ų53.242%0.42127%0.274SS..  trans-118.64.9-170.4-60.7168.2147.400113.6Y230 K238 R271Y230-E240 PolarHBondContact OH-N 2.82Å; K238-E240 PolarHBondContact O-N 3.42Å; E240-R271 IonicContact OE1-CZ 2.87Å; E240-R271 IonicContact OE1-NH2 2.73Å; E240-R271 PolarHBondContact OE1-NH2 3.4Å; E240-R271 IonicContact OE2-CZ 3.04Å; E240-R271 IonicContact OE2-NE 3.22Å; E240-R271 PolarHBondContact OE2-NE 3.39Å; E240-R271 IonicContact OE2-NH2 2.76Å; E240-R271 PolarHBondContact OE2-NH2 2.89Å
241A94.7Very high91.3Very high11 Ų1155 Ų559%0.09128%0.283CS..  trans-67.7136.3-179.500000110.3Y230 D243 R271 I275Y230-A241 WeakPolarHBondContact OH-CB 3.38Å; Y230-A241 PolarHBondContact OH-N 3.29Å; A241-D243 PolarHBondContact O-N 3.07Å; A241-R271 PolarHBondContact N-O 2.91Å; A241-I275 HydrophobicContact CB-CG2 4.3Å
242N95Very high91.4Very high38 Ų3850.2 Ų50.220%0.20326%0.256CS..  trans-69.9125.6-178.2-175.4-66.8000110.5G244 E245 L246 Y267 S272 N276N242-G244 VanDerWaalsContact OD1-CA 3.31Å; N242-G244 WeakPolarHBondContact OD1-CA 3.39Å; N242-G244 PolarHBondContact OD1-N 3.15Å; N242-E245 HydrophobicContact CB-CB 3.96Å; N242-E245 PolarHBondContact O-N 3.11Å; N242-E245 PolarHBondContact OD1-N 3.29Å; N242-L246 PolarHBondContact O-N 3.22Å; N242-Y267 HydrophobicContact CB-CD2 3.67Å; N242-Y267 HydrophobicContact CB-CE2 3.99Å; N242-Y267 HydrophobicContact CB-CG 4.17Å; N242-Y267 VanDerWaalsContact CG-CE2 3.44Å; N242-S272 PolarHBondContact N-OG 3.41Å; N242-N276 PolarHBondContact O-ND2 3.28Å
243D94.5Very high91.6Very high57 Ų5749.4 Ų49.431%0.30525%0.249SC..Hα-helixtrans-70.9-34.1-179.3-62.5-43.7000113.2R226 A241 E245 L246 R247R226-D243 IonicContact CZ-OD1 2.97Å; R226-D243 IonicContact NH1-OD1 2.92Å; R226-D243 PolarHBondContact NH1-OD1 3.44Å; R226-D243 IonicContact NH2-OD1 2.7Å; R226-D243 PolarHBondContact NH2-OD1 3.33Å; A241-D243 PolarHBondContact O-N 3.07Å; D243-E245 VanDerWaalsContact C-N 3.31Å; D243-E245 PolarHBondContact O-N 3.16Å; D243-L246 PolarHBondContact O-N 3.23Å; D243-R247 WeakPolarHBondContact O-CG 3.39Å; D243-R247 PolarHBondContact O-N 3.2Å
244G94.9Very high91.8Very high0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-61-40.7172.100000111.8F196 S198 N242 R247 A248F196-G244 VanDerWaalsContact CB-O 3.26Å; F196-G244 WeakPolarHBondContact CB-O 3.42Å; S198-G244 PolarHBondContact OG-N 3.48Å; N242-G244 VanDerWaalsContact OD1-CA 3.31Å; N242-G244 WeakPolarHBondContact OD1-CA 3.39Å; N242-G244 PolarHBondContact OD1-N 3.15Å; G244-R247 PolarHBondContact O-N 2.98Å; G244-A248 WeakPolarHBondContact O-CB 3.27Å; G244-A248 PolarHBondContact O-N 3.25Å
245E97Very high92.1Very high0 Ų045.1 Ų45.10%024%0.237CC..Hα-helixtrans-64.1-41.5174.9-173.4179.7-11300112.6I193 N242 D243 R247 A248 F249 Y267 S272 G273 N276I193-E245 HydrophobicContact CG2-CB 4.06Å; I193-E245 HydrophobicContact CG2-CG 3.92Å; N242-E245 HydrophobicContact CB-CB 3.96Å; N242-E245 PolarHBondContact O-N 3.11Å; N242-E245 PolarHBondContact OD1-N 3.29Å; D243-E245 VanDerWaalsContact C-N 3.31Å; D243-E245 PolarHBondContact O-N 3.16Å; E245-R247 VanDerWaalsContact C-N 3.32Å; E245-R247 PolarHBondContact O-N 3.09Å; E245-A248 PolarHBondContact O-N 3.19Å; E245-F249 HydrophobicContact CG-CD2 4.44Å; E245-F249 HydrophobicContact CG-CE1 4.03Å; E245-F249 HydrophobicContact CG-CE2 3.9Å; E245-F249 HydrophobicContact CG-CZ 3.65Å; E245-F249 WeakPolarHBondContact O-CG 3.35Å; E245-F249 PolarHBondContact O-N 3.49Å; E245-Y267 HydrophobicContact CB-CD2 3.94Å; E245-Y267 HydrophobicContact CB-CE2 3.95Å; E245-Y267 HydrophobicContact CG-CD2 4.39Å; E245-S272 VanDerWaalsContact OE2-C 3.3Å; E245-S272 WeakPolarHBondContact OE2-CB 3.33Å; E245-S272 PolarHBondContact OE2-OG 3.12Å; E245-G273 VanDerWaalsContact OE2-CA 3.29Å; E245-G273 WeakPolarHBondContact OE2-CA 3.45Å; E245-G273 PolarHBondContact OE2-N 3.4Å; E245-N276 PolarHBondContact OE2-ND2 3.28Å
246L97Very high92.7Very high5 Ų547.6 Ų47.63%0.02625%0.248CC..Hα-helixtrans-58.2-46.6173.4-175.771.3000111C222 I223 N242 D243 F249 A250 N276 A279C222-L246 HydrophobicContact CB-CD1 4.13Å; C222-L246 HydrophobicContact CB-CD2 4.44Å; C222-L246 HydrophobicContact CB-CG 4.4Å; I223-L246 HydrophobicContact CG1-CD2 3.86Å; N242-L246 PolarHBondContact O-N 3.22Å; D243-L246 PolarHBondContact O-N 3.23Å; L246-F249 PolarHBondContact O-N 3.35Å; L246-A250 WeakPolarHBondContact O-CB 3.38Å; L246-A250 PolarHBondContact O-N 2.7Å; L246-N276 HydrophobicContact CB-CB 4.39Å; L246-N276 HydrophobicContact CD1-CB 3.99Å; L246-A279 HydrophobicContact CD1-CB 4.04Å
247R95.9Very high93.6Very high44 Ų4446.1 Ų46.117%0.16623%0.228CC..Hα-helixtrans-63-45.6178.8-71.8-178179103.7-13.4111.6F196 S198 E203 I219 D243 G244 E245 F249 A250 H251F196-R247 HydrophobicContact CB-CB 4.45Å; F196-R247 HydrophobicContact CD1-CB 4.2Å; S198-R247 PolarHBondContact O-NH1 2.73Å; S198-R247 PolarHBondContact O-NH2 3.35Å; E203-R247 IonicContact OE1-CZ 3.96Å; E203-R247 IonicContact OE1-NE 3.05Å; E203-R247 PolarHBondContact OE1-NE 3.02Å; E203-R247 IonicContact OE1-NH1 3.29Å; E203-R247 IonicContact OE1-NH2 2.76Å; E203-R247 PolarHBondContact OE1-NH2 2.96Å; E203-R247 IonicContact OE2-CZ 2.71Å; E203-R247 IonicContact OE2-NE 2.64Å; E203-R247 PolarHBondContact OE2-NE 3.37Å; E203-R247 IonicContact OE2-NH2 3.35Å; E203-R247 PolarHBondContact OE2-NH2 3.24Å; I219-R247 HydrophobicContact CD1-CG 4.43Å; D243-R247 WeakPolarHBondContact O-CG 3.39Å; D243-R247 PolarHBondContact O-N 3.2Å; G244-R247 PolarHBondContact O-N 2.98Å; E245-R247 VanDerWaalsContact C-N 3.32Å; E245-R247 PolarHBondContact O-N 3.09Å; R247-F249 VanDerWaalsContact C-N 3.28Å; R247-F249 PolarHBondContact O-N 2.9Å; R247-A250 PolarHBondContact O-N 2.67Å; R247-H251 PolarHBondContact O-CD2 3.19Å; R247-H251 PolarHBondContact O-N 2.84Å
248A96.7Very high94.5Very high0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-54.5-47.717600000111.2Y192 I193 F196 G244 E245 F252Y192-A248 HydrophobicContact CD1-CB 4.39Å; Y192-A248 HydrophobicContact CE1-CB 4.1Å; Y192-A248 WeakPolarHBondContact CE1-O 3.46Å; Y192-A248 PolarHBondContact OH-O 2.94Å; I193-A248 HydrophobicContact CB-CB 4.32Å; I193-A248 HydrophobicContact CG1-CB 4.23Å; I193-A248 HydrophobicContact CG2-CB 4.31Å; F196-A248 HydrophobicContact CB-CB 4.14Å; F196-A248 HydrophobicContact CD2-CB 3.33Å; F196-A248 HydrophobicContact CE2-CB 3.82Å; F196-A248 HydrophobicContact CG-CB 3.77Å; G244-A248 WeakPolarHBondContact O-CB 3.27Å; G244-A248 PolarHBondContact O-N 3.25Å; E245-A248 PolarHBondContact O-N 3.19Å; A248-F252 WeakPolarHBondContact O-CB 3.46Å; A248-F252 PolarHBondContact O-N 3.02Å
249F98.3Very high95.2Very high0 Ų039.9 Ų39.90%021%0.207CC..Hα-helixtrans-64.2-44.3177.6-71.4-0.6000112.3M188 I193 E245 L246 R247 F252 A253 F260 A262 L263 L264 N276 F277 C280M188-F249 HydrophobicContact CE-CD1 4.11Å; M188-F249 HydrophobicContact CE-CE1 4.43Å; M188-F249 HydrophobicContact SD-CD1 3.76Å; M188-F249 HydrophobicContact SD-CE1 3.58Å; M188-F249 VanDerWaalsContact SD-CE1 3.58Å; I193-F249 HydrophobicContact CD1-CE1 3.74Å; I193-F249 HydrophobicContact CD1-CZ 4.44Å; I193-F249 HydrophobicContact CG1-CE1 4.04Å; E245-F249 HydrophobicContact CG-CD2 4.44Å; E245-F249 HydrophobicContact CG-CE1 4.03Å; E245-F249 HydrophobicContact CG-CE2 3.9Å; E245-F249 HydrophobicContact CG-CZ 3.65Å; E245-F249 WeakPolarHBondContact O-CG 3.35Å; E245-F249 PolarHBondContact O-N 3.49Å; L246-F249 PolarHBondContact O-N 3.35Å; R247-F249 VanDerWaalsContact C-N 3.28Å; R247-F249 PolarHBondContact O-N 2.9Å; F249-F252 PolarHBondContact O-N 2.96Å; F249-A253 WeakPolarHBondContact O-CB 3.49Å; F249-A253 PolarHBondContact O-N 3.27Å; F249-F260 HydrophobicContact CB-CE2 4.36Å; F249-F260 HydrophobicContact CB-CZ 3.88Å; F249-F260 HydrophobicContact CG-CZ 4.16Å; F249-A262 HydrophobicContact CD1-CB 4.15Å; F249-A262 HydrophobicContact CD2-CB 4.21Å; F249-A262 HydrophobicContact CE1-CB 3.9Å; F249-A262 HydrophobicContact CE2-CB 3.96Å; F249-A262 HydrophobicContact CG-CB 4.32Å; F249-A262 HydrophobicContact CZ-CB 3.82Å; F249-L263 WeakPolarHBondContact CZ-O 3.23Å; F249-L264 HydrophobicContact CE2-CD2 4.43Å; F249-L264 HydrophobicContact CZ-CD2 4.46Å; F249-N276 HydrophobicContact CD2-CB 3.8Å; F249-N276 HydrophobicContact CE2-CB 3.96Å; F249-F277 HydrophobicContact CD2-CB 4.23Å; F249-F277 HydrophobicContact CE2-CB 4.08Å; F249-C280 HydrophobicContact CB-CB 4.4Å
250A97.4Very high95.7Very high0 Ų033.4 Ų33.40%018%0.183CC..Hα-helixtrans-60.6-46.2177.700000111.7A206 I219 L246 R247 F252 A253 A254A206-A250 HydrophobicContact CB-CB 3.94Å; I219-A250 HydrophobicContact CG1-CB 4.02Å; L246-A250 WeakPolarHBondContact O-CB 3.38Å; L246-A250 PolarHBondContact O-N 2.7Å; R247-A250 PolarHBondContact O-N 2.67Å; A250-F252 PolarHBondContact O-N 3.03Å; A250-A253 PolarHBondContact O-N 3.03Å; A250-A254 WeakPolarHBondContact O-CB 3.49Å; A250-A254 PolarHBondContact O-N 3.06Å
251H96.6Very high96.1Very high44 Ų4429.5 Ų29.520%0.20417%0.165CC..Hα-helixtrans-63.3-40.3176.2-81-77.9000112.4F196 L204 P205 R247 A255F196-H251 AromaticContact CD1-CD2 3.9Å; F196-H251 HydrophobicContact CE1-CB 4Å; F196-H251 AromaticContact CE1-CD2 3.31Å; F196-H251 WeakPolarHBondContact CE1-CD2 3.48Å; F196-H251 AromaticContact CE1-CG 3.73Å; F196-H251 AromaticContact CE1-NE2 3.99Å; F196-H251 HydrophobicContact CZ-CB 4.02Å; L204-H251 PolarHBondContact O-CE1 3.42Å; L204-H251 PolarHBondContact O-NE2 2.89Å; P205-H251 PolarHBondContact O-CE1 2.85Å; R247-H251 PolarHBondContact O-CD2 3.19Å; R247-H251 PolarHBondContact O-N 2.84Å; H251-A255 WeakPolarHBondContact O-CB 3.3Å; H251-A255 PolarHBondContact O-N 3.32Å; H251-A255 VanDerWaalsContact O-N 3.13Å
252F97.2Very high96.3Very high30 Ų3029 Ų2913%0.13216%0.16CC..Hα-helixtrans-69.4-41178-160.8-77.1000111.5M188 Y192 A248 F249 A250 A255 F256 F260M188-F252 HydrophobicContact CB-CD2 4.25Å; M188-F252 HydrophobicContact CB-CE2 4.01Å; M188-F252 HydrophobicContact CE-CB 3.77Å; M188-F252 HydrophobicContact CE-CD1 3.82Å; M188-F252 HydrophobicContact CE-CD2 3.8Å; M188-F252 HydrophobicContact CE-CE1 4.34Å; M188-F252 HydrophobicContact CE-CE2 4.33Å; M188-F252 HydrophobicContact CE-CG 3.51Å; Y192-F252 HydrophobicContact CD1-CD2 4.29Å; Y192-F252 HydrophobicContact CE1-CB 3.92Å; Y192-F252 AromaticContact CE1-CD2 3.77Å; Y192-F252 HydrophobicContact CE1-CD2 3.77Å; Y192-F252 HydrophobicContact CE1-CG 4.33Å; Y192-F252 HydrophobicContact CE2-CD2 4.29Å; Y192-F252 AromaticContact CZ-CD2 3.79Å; Y192-F252 PolarHBondContact OH-N 2.79Å; A248-F252 WeakPolarHBondContact O-CB 3.46Å; A248-F252 PolarHBondContact O-N 3.02Å; F249-F252 PolarHBondContact O-N 2.96Å; A250-F252 PolarHBondContact O-N 3.03Å; F252-A255 PolarHBondContact O-N 2.95Å; F252-F256 AromaticContact CD1-CD2 3.94Å; F252-F256 HydrophobicContact CD1-CD2 3.94Å; F252-F256 HydrophobicContact CE1-CB 4.29Å; F252-F256 AromaticContact CE1-CD2 3.66Å; F252-F256 HydrophobicContact CE1-CD2 3.66Å; F252-F256 HydrophobicContact CE1-CE2 4.47Å; F252-F256 HydrophobicContact CE1-CG 4.36Å; F252-F256 HydrophobicContact CE2-CD2 4.29Å; F252-F256 HydrophobicContact CE2-CE2 4.38Å; F252-F256 HydrophobicContact CG-CD2 4.38Å; F252-F256 AromaticContact CZ-CD2 3.85Å; F252-F256 HydrophobicContact CZ-CD2 3.85Å; F252-F256 HydrophobicContact CZ-CE2 4.24Å; F252-F256 PolarHBondContact O-N 3.35Å; F252-F260 HydrophobicContact CB-CE2 4.48Å; F252-F260 AromaticContact CD1-CD2 3.84Å; F252-F260 HydrophobicContact CD1-CD2 3.84Å; F252-F260 HydrophobicContact CD1-CE2 4.41Å
253A97.3Very high96.4Very high1 Ų127.2 Ų27.21%0.00815%0.151CC..Hα-helixtrans-61.8-44.6175.700000111.5L218 F249 A250 A255 F256 P257 F260 L284L218-A253 HydrophobicContact CD1-CB 4.34Å; F249-A253 WeakPolarHBondContact O-CB 3.49Å; F249-A253 PolarHBondContact O-N 3.27Å; A250-A253 PolarHBondContact O-N 3.03Å; A253-A255 VanDerWaalsContact C-N 3.31Å; A253-A255 PolarHBondContact O-N 2.85Å; A253-F256 CarbonylContact O-C 3.59Å; A253-F256 PolarHBondContact O-N 3.37Å; A253-P257 WeakPolarHBondContact O-CA 3.42Å; A253-P257 WeakPolarHBondContact O-CD 3.36Å; A253-F260 HydrophobicContact CB-CD1 3.95Å; A253-F260 HydrophobicContact CB-CD2 4.28Å; A253-F260 HydrophobicContact CB-CE1 4.13Å; A253-F260 HydrophobicContact CB-CE2 4.43Å; A253-F260 HydrophobicContact CB-CG 4.04Å; A253-F260 HydrophobicContact CB-CZ 4.37Å; A253-L284 HydrophobicContact CB-CD1 3.86Å; A253-L284 HydrophobicContact CB-CD2 4.22Å; A253-L284 HydrophobicContact CB-CG 4.12Å
254A96.4Very high96.6Very high12 Ų1224.5 Ų24.510%0.09914%0.136CC..Hα-helixtrans-61.8-38.6176.200000112.5A206 M208 L218 A250A206-A254 HydrophobicContact CB-CB 4.25Å; M208-A254 HydrophobicContact CB-CB 4Å; L218-A254 HydrophobicContact CD1-CB 3.87Å; L218-A254 HydrophobicContact CG-CB 4.46Å; A250-A254 WeakPolarHBondContact O-CB 3.49Å; A250-A254 PolarHBondContact O-N 3.06Å
255A95.1Very high96.7Very high61 Ų6125.2 Ų25.250%0.50414%0.14SC..Hα-helixtrans-73.9-33178.300000113.4H251 F252 A253H251-A255 WeakPolarHBondContact O-CB 3.3Å; H251-A255 PolarHBondContact O-N 3.32Å; H251-A255 VanDerWaalsContact O-N 3.13Å; F252-A255 PolarHBondContact O-N 2.95Å; A253-A255 VanDerWaalsContact C-N 3.31Å; A253-A255 PolarHBondContact O-N 2.85Å
256F95Very high96.7Very high113 Ų11326.4 Ų26.450%0.49615%0.148SC..  trans-137.663.2-173.3-55.1-67.3000112.1F252 A253 D258 C259 F260F252-F256 AromaticContact CD1-CD2 3.94Å; F252-F256 HydrophobicContact CD1-CD2 3.94Å; F252-F256 HydrophobicContact CE1-CB 4.29Å; F252-F256 AromaticContact CE1-CD2 3.66Å; F252-F256 HydrophobicContact CE1-CD2 3.66Å; F252-F256 HydrophobicContact CE1-CE2 4.47Å; F252-F256 HydrophobicContact CE1-CG 4.36Å; F252-F256 HydrophobicContact CE2-CD2 4.29Å; F252-F256 HydrophobicContact CE2-CE2 4.38Å; F252-F256 HydrophobicContact CG-CD2 4.38Å; F252-F256 AromaticContact CZ-CD2 3.85Å; F252-F256 HydrophobicContact CZ-CD2 3.85Å; F252-F256 HydrophobicContact CZ-CE2 4.24Å; F252-F256 PolarHBondContact O-N 3.35Å; A253-F256 CarbonylContact O-C 3.59Å; A253-F256 PolarHBondContact O-N 3.37Å; F256-D258 VanDerWaalsContact C-N 3.31Å; F256-D258 PolarHBondContact O-N 2.6Å; F256-C259 HydrophobicContact CB-CB 4.18Å; F256-C259 CarbonylContact O-C 3.59Å; F256-C259 PolarHBondContact O-N 2.91Å; F256-F260 PolarHBondContact O-N 3.33Å; F256-F260 VanDerWaalsContact O-N 3.08Å
257P95Very high96.6Very high22 Ų2231 Ų3114%0.14317%0.165CC..THydrogen-bonded Turntrans-64.3-33.6-167.125.4-35.8000113.6M208 A253 L284 H289M208-P257 HydrophobicContact SD-CB 3.72Å; M208-P257 HydrophobicContact SD-CG 4.1Å; A253-P257 WeakPolarHBondContact O-CA 3.42Å; A253-P257 WeakPolarHBondContact O-CD 3.36Å; P257-L284 HydrophobicContact CB-CD2 3.71Å; P257-H289 HydrophobicContact CB-CB 3.87Å
258D94.5Very high96.7Very high94 Ų9431.7 Ų31.750%0.50317%0.172SC..THydrogen-bonded Turntrans-91.9-0.3177.3-56.8-55.4000113.9F256 H289 I292F256-D258 VanDerWaalsContact C-N 3.31Å; F256-D258 PolarHBondContact O-N 2.6Å; D258-H289 IonicContact OD1-CE1 3.87Å; D258-H289 IonicContact OD1-CG 2.78Å; D258-H289 IonicContact OD1-ND1 3.68Å; D258-H289 PolarHBondContact OD1-ND1 2.99Å; D258-H289 IonicContact OD2-CE1 3.5Å; D258-H289 IonicContact OD2-ND1 2.9Å; D258-H289 PolarHBondContact OD2-ND1 3.22Å; D258-I292 WeakPolarHBondContact O-CD1 3.15Å
259C93.8Very high96.7Very high80 Ų8032.2 Ų32.254%0.54118%0.175SC..SBendtrans-127.216.7-176.4-72.30000113F256 I261 I292F256-C259 HydrophobicContact CB-CB 4.18Å; F256-C259 CarbonylContact O-C 3.59Å; F256-C259 PolarHBondContact O-N 2.91Å; C259-I261 PolarHBondContact O-N 2.72Å; C259-I292 HydrophobicContact CB-CD1 4.44Å
260F97.4Very high96.6Very high0 Ų034.2 Ų34.20%019%0.186CC..  trans-72.4114.6-173.4178.1-138.8000112.3M188 F249 F252 A253 F256 A262 F277 C280 L284 A291 I292 G293M188-F260 HydrophobicContact CE-CD2 4.38Å; M188-F260 HydrophobicContact CE-CE2 3.84Å; F249-F260 HydrophobicContact CB-CE2 4.36Å; F249-F260 HydrophobicContact CB-CZ 3.88Å; F249-F260 HydrophobicContact CG-CZ 4.16Å; F252-F260 HydrophobicContact CB-CE2 4.48Å; F252-F260 AromaticContact CD1-CD2 3.84Å; F252-F260 HydrophobicContact CD1-CD2 3.84Å; F252-F260 HydrophobicContact CD1-CE2 4.41Å; A253-F260 HydrophobicContact CB-CD1 3.95Å; A253-F260 HydrophobicContact CB-CD2 4.28Å; A253-F260 HydrophobicContact CB-CE1 4.13Å; A253-F260 HydrophobicContact CB-CE2 4.43Å; A253-F260 HydrophobicContact CB-CG 4.04Å; A253-F260 HydrophobicContact CB-CZ 4.37Å; F256-F260 PolarHBondContact O-N 3.33Å; F256-F260 VanDerWaalsContact O-N 3.08Å; F260-A262 HydrophobicContact CE2-CB 3.87Å; F260-A262 HydrophobicContact CZ-CB 3.8Å; F260-F277 HydrophobicContact CD1-CD2 4.46Å; F260-F277 HydrophobicContact CD1-CE2 4.2Å; F260-F277 AromaticContact CE1-CD2 3.68Å; F260-F277 HydrophobicContact CE1-CD2 3.68Å; F260-F277 AromaticContact CE1-CE2 3.85Å; F260-F277 HydrophobicContact CE1-CE2 3.85Å; F260-F277 AromaticContact CZ-CD2 3.92Å; F260-F277 HydrophobicContact CZ-CD2 3.92Å; F260-F277 HydrophobicContact CZ-CE2 4.41Å; F260-C280 HydrophobicContact CE1-CB 3.83Å; F260-C280 HydrophobicContact CZ-CB 4.19Å; F260-L284 HydrophobicContact CB-CD1 4.21Å; F260-L284 HydrophobicContact CD1-CD1 3.9Å; F260-L284 HydrophobicContact CG-CD1 4.43Å; F260-A291 HydrophobicContact CB-CB 4.38Å; F260-A291 HydrophobicContact CD1-CB 3.75Å; F260-A291 HydrophobicContact CG-CB 4.47Å; F260-I292 PolarHBondContact O-N 3.21Å; F260-G293 PolarHBondContact O-N 3.15Å
261I98.1Very high96.5Very high8 Ų839.9 Ų39.94%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-127.6112.6171.4-56.3173.8000109.7F185 T187 C259 I292 G293 R295F185-I261 HydrophobicContact CE2-CD1 4.01Å; F185-I261 HydrophobicContact CZ-CD1 4.13Å; T187-I261 HydrophobicContact CG2-CB 4.05Å; T187-I261 HydrophobicContact CG2-CD1 4.38Å; T187-I261 HydrophobicContact CG2-CG2 3.59Å; C259-I261 PolarHBondContact O-N 2.72Å; I261-I292 HydrophobicContact CD1-CB 4.23Å; I261-I292 HydrophobicContact CD1-CG2 3.88Å; I261-I292 HydrophobicContact CG1-CB 3.73Å; I261-I292 HydrophobicContact CG1-CG2 3.88Å; I261-G293 VanDerWaalsContact CA-O 3.27Å; I261-G293 WeakPolarHBondContact CA-O 3.5Å; I261-R295 HydrophobicContact CG2-CB 4.5Å
262A98.4Very high96.5Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-92.8140.5-175.200000113.9M188 F249 F260 L264 F277 G293 I294 R295M188-A262 HydrophobicContact CE-CB 4.48Å; F249-A262 HydrophobicContact CD1-CB 4.15Å; F249-A262 HydrophobicContact CD2-CB 4.21Å; F249-A262 HydrophobicContact CE1-CB 3.9Å; F249-A262 HydrophobicContact CE2-CB 3.96Å; F249-A262 HydrophobicContact CG-CB 4.32Å; F249-A262 HydrophobicContact CZ-CB 3.82Å; F260-A262 HydrophobicContact CE2-CB 3.87Å; F260-A262 HydrophobicContact CZ-CB 3.8Å; A262-L264 HydrophobicContact CB-CD2 4.13Å; A262-F277 HydrophobicContact CB-CB 4.18Å; A262-F277 HydrophobicContact CB-CD2 3.5Å; A262-F277 HydrophobicContact CB-CE2 4.32Å; A262-F277 HydrophobicContact CB-CG 4.18Å; A262-G293 PolarHBondContact N-O 3.04Å; A262-I294 CarbonylContact O-C 3.33Å; A262-I294 VanDerWaalsContact O-CA 3.23Å; A262-I294 WeakPolarHBondContact O-CA 3.38Å; A262-R295 PolarHBondContact O-N 3.29Å
263L98.4Very high96.6Very high0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-91.3112.5173.7177.465000109.9M188 H190 I193 F249 D265 R295 D297M188-L263 HydrophobicContact CG-CB 3.69Å; M188-L263 HydrophobicContact SD-CB 4.33Å; H190-L263 VanDerWaalsContact CE1-CD2 3.47Å; H190-L263 WeakPolarHBondContact CE1-CD2 3.38Å; H190-L263 WeakPolarHBondContact ND1-CD2 3.39Å; I193-L263 HydrophobicContact CD1-CB 3.97Å; I193-L263 HydrophobicContact CD1-CD2 4.4Å; I193-L263 HydrophobicContact CD1-CG 4.42Å; I193-L263 WeakPolarHBondContact CD1-O 3.47Å; F249-L263 WeakPolarHBondContact CZ-O 3.23Å; L263-D265 WeakPolarHBondContact CD1-OD1 3.48Å; L263-R295 HydrophobicContact CD1-CB 4.14Å; L263-R295 HydrophobicContact CD1-CG 3.93Å; L263-D297 HydrophobicContact CD1-CB 3.86Å
264L98.3Very high96.6Very high0 Ų036.5 Ų36.50%019%0.192CC..  trans-87.5-18.6-164.7-55.8-169.2000115.4F249 A262 D268 V269 V274 F277 I294 R295 L296 V308F249-L264 HydrophobicContact CE2-CD2 4.43Å; F249-L264 HydrophobicContact CZ-CD2 4.46Å; A262-L264 HydrophobicContact CB-CD2 4.13Å; L264-D268 CarbonylContact O-C 3.59Å; L264-V269 HydrophobicContact CB-CG1 4.16Å; L264-V269 HydrophobicContact CB-CG2 4.36Å; L264-V269 HydrophobicContact CD1-CG1 4.21Å; L264-V269 WeakPolarHBondContact O-CA 3.36Å; L264-V274 HydrophobicContact CD1-CB 4.17Å; L264-V274 HydrophobicContact CD1-CG2 4.49Å; L264-F277 HydrophobicContact CD2-CB 3.86Å; L264-F277 HydrophobicContact CD2-CG 4.39Å; L264-I294 HydrophobicContact CD1-CB 3.83Å; L264-I294 HydrophobicContact CD1-CD1 3.85Å; L264-I294 HydrophobicContact CD1-CG1 3.84Å; L264-I294 HydrophobicContact CD1-CG2 4.01Å; L264-I294 HydrophobicContact CD2-CB 4Å; L264-I294 HydrophobicContact CD2-CG2 3.74Å; L264-I294 HydrophobicContact CG-CB 3.82Å; L264-I294 HydrophobicContact CG-CD1 4.33Å; L264-I294 HydrophobicContact CG-CG1 4.34Å; L264-I294 HydrophobicContact CG-CG2 4.09Å; L264-R295 PolarHBondContact N-O 3.18Å; L264-L296 HydrophobicContact CB-CD2 4.24Å; L264-L296 HydrophobicContact CD1-CD2 4.18Å; L264-L296 HydrophobicContact CG-CD2 4.49Å; L264-V308 HydrophobicContact CD1-CG1 4.42Å; L264-V308 HydrophobicContact CD1-CG2 4.07Å
265D97.3Very high96.7Very high16 Ų1636 Ų369%0.08619%0.188CC..  trans-103.526.9-166.364.6-34.2000113.3H190 L263 V269 D297 S298H190-D265 IonicContact CE1-OD1 3.81Å; H190-D265 PolarHBondContact CE1-OD1 3.41Å; L263-D265 WeakPolarHBondContact CD1-OD1 3.48Å; D265-V269 HydrophobicContact CB-CG2 3.48Å; D265-V269 VanDerWaalsContact CB-CG2 3.48Å; D265-D297 PolarHBondContact OD1-N 3.46Å; D265-D297 VanDerWaalsContact OD2-CA 3.23Å; D265-D297 WeakPolarHBondContact OD2-CA 3.28Å; D265-D297 WeakPolarHBondContact OD2-CB 3.22Å; D265-D297 PolarHBondContact OD2-N 2.95Å; D265-S298 WeakPolarHBondContact OD2-CA 3.47Å; D265-S298 WeakPolarHBondContact OD2-CB 3.32Å; D265-S298 PolarHBondContact OD2-N 3.12Å; D265-S298 PolarHBondContact OD2-OG 2.92Å
266T97Very high96.8Very high25 Ų2533 Ų3315%0.15316%0.164CC..SBendtrans-70.1-42.5173-57.10000111.4H190 I193 N194H190-T266 HydrophobicContact CB-CG2 4.49Å; H190-T266 PolarHBondContact ND1-OG1 2.93Å; I193-T266 HydrophobicContact CB-CG2 4.1Å; I193-T266 WeakPolarHBondContact CD1-OG1 3.33Å; I193-T266 HydrophobicContact CG2-CG2 3.77Å; N194-T266 WeakPolarHBondContact OD1-CG2 2.95Å
267Y95.6Very high97Very high100 Ų10027.7 Ų27.739%0.39214%0.14SC..SBendtrans-115.5-61176.5-60.2-69.7000112I193 N194 N242 E245I193-Y267 HydrophobicContact CG2-CE2 4.01Å; N194-Y267 PolarHBondContact OD1-OH 3.4Å; N242-Y267 HydrophobicContact CB-CD2 3.67Å; N242-Y267 HydrophobicContact CB-CE2 3.99Å; N242-Y267 HydrophobicContact CB-CG 4.17Å; N242-Y267 VanDerWaalsContact CG-CE2 3.44Å; E245-Y267 HydrophobicContact CB-CD2 3.94Å; E245-Y267 HydrophobicContact CB-CE2 3.95Å; E245-Y267 HydrophobicContact CG-CD2 4.39Å
268D96.8Very high97.2Very high60 Ų6026.6 Ų26.632%0.32113%0.133SC..  trans-158.6128175.9-173.7-64.1000109.7L264 L270 R271 S272 G273L264-D268 CarbonylContact O-C 3.59Å; D268-L270 PolarHBondContact O-N 3.32Å; D268-L270 PolarHBondContact OD1-N 3.33Å; D268-R271 HydrophobicContact CB-CB 4.19Å; D268-R271 PolarHBondContact OD1-N 3.24Å; D268-S272 CarbonylContact O-C 3.51Å; D268-S272 WeakPolarHBondContact O-CB 3.41Å; D268-S272 PolarHBondContact O-N 3.26Å; D268-G273 PolarHBondContact O-N 3.36Å
269V97.9Very high97.4Very high10 Ų1022.1 Ų22.16%0.06111%0.109CC..Iπ-helixtrans-61.3-42.4-176177.10000112.8L264 D265 V274 L296 L304 V308L264-V269 HydrophobicContact CB-CG1 4.16Å; L264-V269 HydrophobicContact CB-CG2 4.36Å; L264-V269 HydrophobicContact CD1-CG1 4.21Å; L264-V269 WeakPolarHBondContact O-CA 3.36Å; D265-V269 HydrophobicContact CB-CG2 3.48Å; D265-V269 VanDerWaalsContact CB-CG2 3.48Å; V269-V274 VanDerWaalsContact O-CB 3.26Å; V269-V274 WeakPolarHBondContact O-CB 3.27Å; V269-V274 VanDerWaalsContact O-CG1 3.28Å; V269-V274 WeakPolarHBondContact O-CG1 3.35Å; V269-V274 PolarHBondContact O-N 2.86Å; V269-L296 HydrophobicContact CG1-CD2 3.66Å; V269-L296 HydrophobicContact CG2-CD2 4.09Å; V269-L304 HydrophobicContact CB-CD2 4.04Å; V269-L304 HydrophobicContact CG1-CD2 3.99Å; V269-L304 HydrophobicContact CG2-CD1 4.16Å; V269-L304 HydrophobicContact CG2-CD2 4.47Å; V269-V308 HydrophobicContact CG1-CG2 3.93Å
270L96.2Very high97.6Very high42 Ų4218.3 Ų18.322%0.228%0.083CC..Iπ-helixtrans-100.6-31-168.5-62-179.3000113D268 I275 Y303 L304 K307 V308D268-L270 PolarHBondContact O-N 3.32Å; D268-L270 PolarHBondContact OD1-N 3.33Å; L270-I275 WeakPolarHBondContact O-CD1 3.5Å; L270-Y303 HydrophobicContact CD1-CE1 4.1Å; L270-L304 HydrophobicContact CD1-CD2 4.25Å; L270-L304 HydrophobicContact CG-CD2 4.17Å; L270-K307 HydrophobicContact CD1-CB 4.26Å; L270-K307 HydrophobicContact CD1-CG 4.35Å; L270-K307 HydrophobicContact CD2-CB 3.79Å; L270-V308 HydrophobicContact CD2-CG2 4.39Å
271R95.2Very high97.7Very high120 Ų12018.3 Ų18.345%0.4538%0.083SC..Iπ-helixtrans-93.5-14.5-178.2-61.8168.371.4-174.44.8113.2E240 A241 D268 I275E240-R271 IonicContact OE1-CZ 2.87Å; E240-R271 IonicContact OE1-NH2 2.73Å; E240-R271 PolarHBondContact OE1-NH2 3.4Å; E240-R271 IonicContact OE2-CZ 3.04Å; E240-R271 IonicContact OE2-NE 3.22Å; E240-R271 PolarHBondContact OE2-NE 3.39Å; E240-R271 IonicContact OE2-NH2 2.76Å; E240-R271 PolarHBondContact OE2-NH2 2.89Å; A241-R271 PolarHBondContact N-O 2.91Å; D268-R271 HydrophobicContact CB-CB 4.19Å; D268-R271 PolarHBondContact OD1-N 3.24Å; R271-I275 WeakPolarHBondContact O-CD1 3.49Å
272S96.4Very high97.7Very high3 Ų318 Ų182%0.0218%0.082CC..Iπ-helixtrans-134.3-68.2-179.4-168.90000112.8N242 E245 D268 V274 I275 N276N242-S272 PolarHBondContact N-OG 3.41Å; E245-S272 VanDerWaalsContact OE2-C 3.3Å; E245-S272 WeakPolarHBondContact OE2-CB 3.33Å; E245-S272 PolarHBondContact OE2-OG 3.12Å; D268-S272 CarbonylContact O-C 3.51Å; D268-S272 WeakPolarHBondContact O-CB 3.41Å; D268-S272 PolarHBondContact O-N 3.26Å; S272-V274 PolarHBondContact O-N 3.41Å; S272-I275 WeakPolarHBondContact O-CB 3.35Å; S272-I275 PolarHBondContact O-N 3.37Å; S272-I275 VanDerWaalsContact O-N 3.12Å; S272-N276 PolarHBondContact O-N 3.44Å; S272-N276 PolarHBondContact OG-ND2 3.29Å
273G97.9Very high97.7Very high0 Ų018 Ų180%08%0.082CC..Iπ-helixtrans-57.9-53.2-16700000113.4E245 D268 I275 N276 F277E245-G273 VanDerWaalsContact OE2-CA 3.29Å; E245-G273 WeakPolarHBondContact OE2-CA 3.45Å; E245-G273 PolarHBondContact OE2-N 3.4Å; D268-G273 PolarHBondContact O-N 3.36Å; G273-I275 VanDerWaalsContact C-N 3.26Å; G273-I275 PolarHBondContact O-N 2.89Å; G273-N276 PolarHBondContact O-N 3.11Å; G273-F277 VanDerWaalsContact O-CB 3.28Å; G273-F277 WeakPolarHBondContact O-CB 3.29Å; G273-F277 PolarHBondContact O-N 3.33Å
274V98.2Very high97.6Very high1 Ų118 Ų181%0.0068%0.082CC..Hα-helixtrans-63.4-33.7-178.7740000112.2L264 V269 S272 C278 V308 V311 F312L264-V274 HydrophobicContact CD1-CB 4.17Å; L264-V274 HydrophobicContact CD1-CG2 4.49Å; V269-V274 VanDerWaalsContact O-CB 3.26Å; V269-V274 WeakPolarHBondContact O-CB 3.27Å; V269-V274 VanDerWaalsContact O-CG1 3.28Å; V269-V274 WeakPolarHBondContact O-CG1 3.35Å; V269-V274 PolarHBondContact O-N 2.86Å; S272-V274 PolarHBondContact O-N 3.41Å; V274-C278 WeakPolarHBondContact O-CB 3.41Å; V274-C278 PolarHBondContact O-N 3.32Å; V274-C278 PolarHBondContact O-SG 2.86Å; V274-V308 HydrophobicContact CG2-CG1 4.26Å; V274-V308 HydrophobicContact CG2-CG2 4.32Å; V274-V311 HydrophobicContact CG2-CB 4.17Å; V274-V311 HydrophobicContact CG2-CG1 3.83Å; V274-F312 HydrophobicContact CG2-CE1 4.16Å
275I98.1Very high97.6Very high0 Ų020.1 Ų20.10%09%0.091CC..Hα-helixtrans-69.6-51.6179.6-69.5155.6000109.8R226 V229 Y230 L233 F235 A241 L270 R271 S272 G273 F277 C278 A279R226-I275 HydrophobicContact CG-CG2 3.77Å; V229-I275 HydrophobicContact CG1-CB 4.41Å; V229-I275 HydrophobicContact CG1-CG1 4.35Å; V229-I275 HydrophobicContact CG1-CG2 4.1Å; Y230-I275 HydrophobicContact CD1-CD1 4.32Å; Y230-I275 HydrophobicContact CE1-CD1 3.62Å; Y230-I275 HydrophobicContact CE1-CG1 4.42Å; Y230-I275 HydrophobicContact CE1-CG2 4.11Å; Y230-I275 HydrophobicContact CE2-CG2 4.14Å; L233-I275 HydrophobicContact CD1-CG1 4.46Å; F235-I275 HydrophobicContact CE1-CD1 4.33Å; F235-I275 HydrophobicContact CE2-CD1 4.12Å; F235-I275 HydrophobicContact CZ-CD1 3.92Å; A241-I275 HydrophobicContact CB-CG2 4.3Å; L270-I275 WeakPolarHBondContact O-CD1 3.5Å; R271-I275 WeakPolarHBondContact O-CD1 3.49Å; S272-I275 WeakPolarHBondContact O-CB 3.35Å; S272-I275 PolarHBondContact O-N 3.37Å; S272-I275 VanDerWaalsContact O-N 3.12Å; G273-I275 VanDerWaalsContact C-N 3.26Å; G273-I275 PolarHBondContact O-N 2.89Å; I275-F277 VanDerWaalsContact C-N 3.33Å; I275-F277 PolarHBondContact O-N 3.06Å; I275-C278 PolarHBondContact O-N 3Å; I275-A279 PolarHBondContact O-N 3.2Å
276N98.3Very high97.5Very high0 Ų023.1 Ų23.10%011%0.108CC..Hα-helixtrans-61.4-41.7177.9-74.9-25.1000111.6R226 N242 E245 L246 F249 S272 G273 A279 C280R226-N276 VanDerWaalsContact CD-OD1 3.28Å; R226-N276 WeakPolarHBondContact CD-OD1 3.39Å; N242-N276 PolarHBondContact O-ND2 3.28Å; E245-N276 PolarHBondContact OE2-ND2 3.28Å; L246-N276 HydrophobicContact CB-CB 4.39Å; L246-N276 HydrophobicContact CD1-CB 3.99Å; F249-N276 HydrophobicContact CD2-CB 3.8Å; F249-N276 HydrophobicContact CE2-CB 3.96Å; S272-N276 PolarHBondContact O-N 3.44Å; S272-N276 PolarHBondContact OG-ND2 3.29Å; G273-N276 PolarHBondContact O-N 3.11Å; N276-A279 WeakPolarHBondContact O-CB 3.23Å; N276-A279 PolarHBondContact O-N 2.95Å; N276-C280 PolarHBondContact O-N 3.35Å; N276-C280 VanDerWaalsContact O-N 3.1Å; N276-C280 PolarHBondContact O-SG 3.38Å; N276-C280 VanDerWaalsContact O-SG 3.41Å
277F98.7Very high97.4Very high0 Ų024.9 Ų24.90%011%0.113CC..Hα-helixtrans-61.9-46.5175.5165.7-98.8000111.7F249 F260 A262 L264 G273 I275 A279 C280 A281 A291 G293 I294 F312 L327F249-F277 HydrophobicContact CD2-CB 4.23Å; F249-F277 HydrophobicContact CE2-CB 4.08Å; F260-F277 HydrophobicContact CD1-CD2 4.46Å; F260-F277 HydrophobicContact CD1-CE2 4.2Å; F260-F277 AromaticContact CE1-CD2 3.68Å; F260-F277 HydrophobicContact CE1-CD2 3.68Å; F260-F277 AromaticContact CE1-CE2 3.85Å; F260-F277 HydrophobicContact CE1-CE2 3.85Å; F260-F277 AromaticContact CZ-CD2 3.92Å; F260-F277 HydrophobicContact CZ-CD2 3.92Å; F260-F277 HydrophobicContact CZ-CE2 4.41Å; A262-F277 HydrophobicContact CB-CB 4.18Å; A262-F277 HydrophobicContact CB-CD2 3.5Å; A262-F277 HydrophobicContact CB-CE2 4.32Å; A262-F277 HydrophobicContact CB-CG 4.18Å; L264-F277 HydrophobicContact CD2-CB 3.86Å; L264-F277 HydrophobicContact CD2-CG 4.39Å; G273-F277 VanDerWaalsContact O-CB 3.28Å; G273-F277 WeakPolarHBondContact O-CB 3.29Å; G273-F277 PolarHBondContact O-N 3.33Å; I275-F277 VanDerWaalsContact C-N 3.33Å; I275-F277 PolarHBondContact O-N 3.06Å; F277-A279 VanDerWaalsContact C-N 3.26Å; F277-A279 PolarHBondContact O-N 3.47Å; F277-C280 PolarHBondContact O-N 2.98Å; F277-A281 HydrophobicContact CE1-CB 4.37Å; F277-A281 HydrophobicContact CE2-CB 4.32Å; F277-A281 HydrophobicContact CZ-CB 4.11Å; F277-A281 WeakPolarHBondContact O-CB 3.47Å; F277-A281 PolarHBondContact O-N 3.27Å; F277-A291 HydrophobicContact CE2-CB 3.95Å; F277-A291 HydrophobicContact CZ-CB 4.02Å; F277-G293 WeakPolarHBondContact CE2-O 3.17Å; F277-I294 HydrophobicContact CB-CG2 4.36Å; F277-I294 HydrophobicContact CD1-CG2 3.44Å; F277-I294 VanDerWaalsContact CD1-CG2 3.44Å; F277-I294 HydrophobicContact CD2-CG2 3.64Å; F277-I294 HydrophobicContact CE1-CG2 3.5Å; F277-I294 VanDerWaalsContact CE1-CG2 3.5Å; F277-I294 HydrophobicContact CE2-CG2 3.68Å; F277-I294 HydrophobicContact CG-CG2 3.5Å; F277-I294 HydrophobicContact CZ-CG2 3.61Å; F277-F312 AromaticContact CD1-CE1 3.76Å; F277-F312 HydrophobicContact CD1-CE1 3.76Å; F277-F312 HydrophobicContact CD1-CZ 4.02Å; F277-F312 AromaticContact CE1-CE1 3.49Å; F277-F312 HydrophobicContact CE1-CE1 3.49Å; F277-F312 VanDerWaalsContact CE1-CE1 3.49Å; F277-F312 AromaticContact CE1-CZ 3.54Å; F277-F312 HydrophobicContact CE1-CZ 3.54Å; F277-F312 HydrophobicContact CZ-CZ 4.43Å; F277-L327 HydrophobicContact CE1-CD1 3.74Å; F277-L327 HydrophobicContact CZ-CD1 3.88Å; F277-L327 HydrophobicContact CZ-CD2 4.21Å
278C98.6Very high97.3Very high0 Ų023.3 Ų23.30%013%0.127CC..Hα-helixtrans-60.9-41179.8-70.10000111.1V229 V274 I275 A281 L282 M315 F324V229-C278 HydrophobicContact CG1-CB 4.18Å; V229-C278 HydrophobicContact CG2-CB 3.78Å; V274-C278 WeakPolarHBondContact O-CB 3.41Å; V274-C278 PolarHBondContact O-N 3.32Å; V274-C278 PolarHBondContact O-SG 2.86Å; I275-C278 PolarHBondContact O-N 3Å; C278-A281 PolarHBondContact O-N 3.45Å; C278-L282 WeakPolarHBondContact O-CB 3.29Å; C278-L282 WeakPolarHBondContact O-CD1 3.47Å; C278-L282 WeakPolarHBondContact O-CG 3.32Å; C278-L282 PolarHBondContact O-N 2.55Å; C278-M315 HydrophobicContact CB-CG 4.49Å; C278-F324 HydrophobicContact CB-CE1 4.41Å; C278-F324 HydrophobicContact CB-CZ 4.03Å
279A98.5Very high97.3Very high0 Ų022.1 Ų22.10%012%0.12CC..Hα-helixtrans-58.4-49176.400000112.7C222 R226 L246 I275 N276 F277 L282 A283C222-A279 WeakPolarHBondContact O-CB 3.37Å; R226-A279 HydrophobicContact CB-CB 3.75Å; R226-A279 HydrophobicContact CG-CB 4.45Å; L246-A279 HydrophobicContact CD1-CB 4.04Å; I275-A279 PolarHBondContact O-N 3.2Å; N276-A279 WeakPolarHBondContact O-CB 3.23Å; N276-A279 PolarHBondContact O-N 2.95Å; F277-A279 VanDerWaalsContact C-N 3.26Å; F277-A279 PolarHBondContact O-N 3.47Å; A279-L282 PolarHBondContact O-N 2.98Å; A279-A283 WeakPolarHBondContact O-CB 3.45Å; A279-A283 PolarHBondContact O-N 2.76Å
280C98.6Very high97.2Very high0 Ų028.5 Ų28.50%014%0.143CC..Hα-helixtrans-67-39.6177.2-63.20000112.8C222 F249 F260 N276 F277 L282 A283 L284C222-C280 VanDerWaalsContact SG-SG 3.62Å; F249-C280 HydrophobicContact CB-CB 4.4Å; F260-C280 HydrophobicContact CE1-CB 3.83Å; F260-C280 HydrophobicContact CZ-CB 4.19Å; N276-C280 PolarHBondContact O-N 3.35Å; N276-C280 VanDerWaalsContact O-N 3.1Å; N276-C280 PolarHBondContact O-SG 3.38Å; N276-C280 VanDerWaalsContact O-SG 3.41Å; F277-C280 PolarHBondContact O-N 2.98Å; C280-L282 VanDerWaalsContact C-N 3.34Å; C280-L282 PolarHBondContact O-N 3.17Å; C280-A283 PolarHBondContact O-N 3Å; C280-L284 WeakPolarHBondContact O-CG 3.29Å; C280-L284 PolarHBondContact O-N 2.79Å
281A98.5Very high97.3Very high0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-66.4-35.7179.100000112.5F277 C278 H285 A291 F324F277-A281 HydrophobicContact CE1-CB 4.37Å; F277-A281 HydrophobicContact CE2-CB 4.32Å; F277-A281 HydrophobicContact CZ-CB 4.11Å; F277-A281 WeakPolarHBondContact O-CB 3.47Å; F277-A281 PolarHBondContact O-N 3.27Å; C278-A281 PolarHBondContact O-N 3.45Å; A281-H285 PolarHBondContact O-N 3.48Å; A281-A291 HydrophobicContact CB-CB 3.76Å; A281-F324 HydrophobicContact CB-CE2 3.73Å; A281-F324 HydrophobicContact CB-CZ 3.97Å
282L98.5Very high97.4Very high0 Ų024.2 Ų24.20%013%0.129CC..Hα-helixtrans-70.1-42.4172.9-69.7164.8000111.3Y225 V229 C278 A279 C280 L284 H285 D286 F319 F321 F324Y225-L282 HydrophobicContact CD1-CB 3.62Å; Y225-L282 HydrophobicContact CD1-CD1 3.85Å; Y225-L282 HydrophobicContact CD1-CG 4.28Å; Y225-L282 HydrophobicContact CD2-CB 3.9Å; Y225-L282 HydrophobicContact CE1-CB 3.95Å; Y225-L282 HydrophobicContact CE2-CB 4.22Å; Y225-L282 HydrophobicContact CG-CB 3.61Å; Y225-L282 HydrophobicContact CG-CD1 4.3Å; V229-L282 HydrophobicContact CG2-CD1 3.78Å; C278-L282 WeakPolarHBondContact O-CB 3.29Å; C278-L282 WeakPolarHBondContact O-CD1 3.47Å; C278-L282 WeakPolarHBondContact O-CG 3.32Å; C278-L282 PolarHBondContact O-N 2.55Å; A279-L282 PolarHBondContact O-N 2.98Å; C280-L282 VanDerWaalsContact C-N 3.34Å; C280-L282 PolarHBondContact O-N 3.17Å; L282-L284 VanDerWaalsContact C-N 3.31Å; L282-L284 PolarHBondContact O-N 3.4Å; L282-H285 WeakPolarHBondContact O-CB 3.38Å; L282-H285 PolarHBondContact O-N 3.12Å; L282-D286 PolarHBondContact O-N 3.02Å; L282-F319 HydrophobicContact CD1-CD2 3.99Å; L282-F319 HydrophobicContact CD1-CE1 4.42Å; L282-F319 HydrophobicContact CD1-CE2 3.47Å; L282-F319 VanDerWaalsContact CD1-CE2 3.47Å; L282-F319 HydrophobicContact CD1-CZ 3.72Å; L282-F319 HydrophobicContact CD2-CB 4.35Å; L282-F319 HydrophobicContact CD2-CD1 4.35Å; L282-F319 HydrophobicContact CD2-CD2 3.76Å; L282-F319 HydrophobicContact CD2-CE2 4.12Å; L282-F319 HydrophobicContact CD2-CG 3.89Å; L282-F319 HydrophobicContact CG-CE2 4.47Å; L282-F321 HydrophobicContact CD2-CD2 3.84Å; L282-F321 HydrophobicContact CD2-CE2 3.88Å; L282-F324 HydrophobicContact CD2-CD2 4.22Å; L282-F324 HydrophobicContact CD2-CE2 3.83Å; L282-F324 HydrophobicContact CD2-CZ 4.49Å; L282-F324 HydrophobicContact CG-CE2 3.84Å; L282-F324 HydrophobicContact CG-CZ 4.23Å
283A97.9Very high97.4Very high0 Ų024 Ų240%013%0.128CC..Hα-helixtrans-59.7-39.4175.300000112.6L221 Y225 A279 C280 H285 F287L221-A283 HydrophobicContact CB-CB 4.19Å; L221-A283 HydrophobicContact CD2-CB 3.85Å; L221-A283 HydrophobicContact CG-CB 3.83Å; Y225-A283 HydrophobicContact CD2-CB 4.05Å; A279-A283 WeakPolarHBondContact O-CB 3.45Å; A279-A283 PolarHBondContact O-N 2.76Å; C280-A283 PolarHBondContact O-N 3Å; A283-H285 VanDerWaalsContact C-N 3.28Å; A283-H285 PolarHBondContact O-N 3.4Å; A283-F287 VanDerWaalsContact O-CD2 3.23Å; A283-F287 WeakPolarHBondContact O-CD2 3.45Å
284L97.5Very high97.5Very high0 Ų024 Ų240%013%0.128CC..Hα-helixtrans-63.3-33.6172.9-76.4179.9000112.9M208 L218 A253 P257 F260 C280 L282 D286 F287 G288 H289M208-L284 HydrophobicContact SD-CD2 3.8Å; L218-L284 HydrophobicContact CD1-CD2 3.84Å; A253-L284 HydrophobicContact CB-CD1 3.86Å; A253-L284 HydrophobicContact CB-CD2 4.22Å; A253-L284 HydrophobicContact CB-CG 4.12Å; P257-L284 HydrophobicContact CB-CD2 3.71Å; F260-L284 HydrophobicContact CB-CD1 4.21Å; F260-L284 HydrophobicContact CD1-CD1 3.9Å; F260-L284 HydrophobicContact CG-CD1 4.43Å; C280-L284 WeakPolarHBondContact O-CG 3.29Å; C280-L284 PolarHBondContact O-N 2.79Å; L282-L284 VanDerWaalsContact C-N 3.31Å; L282-L284 PolarHBondContact O-N 3.4Å; L284-D286 VanDerWaalsContact C-N 3.3Å; L284-D286 PolarHBondContact O-N 3.23Å; L284-F287 PolarHBondContact O-N 2.86Å; L284-F287 VanDerWaalsContact O-N 3.14Å; L284-G288 PolarHBondContact O-N 3.07Å; L284-H289 HydrophobicContact CB-CB 4.15Å; L284-H289 HydrophobicContact CD2-CB 4.33Å; L284-H289 PolarHBondContact O-N 2.89Å; L284-H289 VanDerWaalsContact O-N 3.14Å
285H96.9Very high97.5Very high45 Ų4525.5 Ų25.521%0.20813%0.133CC..Hα-helixtrans-62.3-38.4-177.4-171.967.8000112.5A281 L282 A283 F287 G288 H289 F321 W323A281-H285 PolarHBondContact O-N 3.48Å; L282-H285 WeakPolarHBondContact O-CB 3.38Å; L282-H285 PolarHBondContact O-N 3.12Å; A283-H285 VanDerWaalsContact C-N 3.28Å; A283-H285 PolarHBondContact O-N 3.4Å; H285-F287 PolarHBondContact O-N 3.44Å; H285-F287 VanDerWaalsContact O-N 3.11Å; H285-G288 PolarHBondContact O-N 3.35Å; H285-H289 WeakPolarHBondContact CA-O 3.45Å; H285-F321 HydrophobicContact CB-CE2 4.47Å; H285-F321 AromaticContact CD2-CD2 3.78Å; H285-F321 AromaticContact CD2-CE1 3.69Å; H285-F321 AromaticContact CD2-CE2 3.27Å; H285-F321 WeakPolarHBondContact CD2-CE2 3.3Å; H285-F321 AromaticContact CD2-CZ 3.24Å; H285-F321 WeakPolarHBondContact CD2-CZ 3.49Å; H285-F321 AromaticContact CG-CE2 3.91Å; H285-F321 AromaticContact NE2-CD1 3.64Å; H285-F321 AromaticContact NE2-CE1 3.41Å; H285-F321 WeakPolarHBondContact NE2-CE1 3.41Å; H285-F321 AromaticContact NE2-CE2 3.82Å; H285-F321 AromaticContact NE2-CG 3.98Å; H285-F321 AromaticContact NE2-CZ 3.52Å; H285-W323 HydrophobicContact CB-CZ2 4.03Å; H285-W323 AromaticContact CE1-NE1 3.26Å; H285-W323 PolarHBondContact CE1-NE1 3.11Å; H285-W323 VanDerWaalsContact CE1-NE1 3.26Å; H285-W323 AromaticContact CG-CZ2 3.9Å; H285-W323 AromaticContact ND1-CE2 3.52Å; H285-W323 AromaticContact ND1-CZ2 3.36Å; H285-W323 WeakPolarHBondContact ND1-CZ2 3.47Å; H285-W323 AromaticContact ND1-NE1 3.23Å; H285-W323 PolarHBondContact ND1-NE1 2.97Å
286D95.9Very high97.5Very high80 Ų8025.5 Ų25.543%0.42813%0.133SC..THydrogen-bonded Turntrans-59.6-22.8178-76.52.6000113L221 Y225 L282 L284L221-D286 HydrophobicContact CD2-CB 4.19Å; Y225-D286 PolarHBondContact OH-OD1 3.37Å; Y225-D286 PolarHBondContact OH-OD2 3.21Å; L282-D286 PolarHBondContact O-N 3.02Å; L284-D286 VanDerWaalsContact C-N 3.3Å; L284-D286 PolarHBondContact O-N 3.23Å
287F95.4Very high97.4Very high62 Ų6227.5 Ų27.527%0.27214%0.144SC..THydrogen-bonded Turntrans-104.914.9178.1-55.3-67.3000113.1M208 L210 V216 L218 L221 A283 L284 H285 H289M208-F287 HydrophobicContact CE-CB 3.61Å; M208-F287 HydrophobicContact CE-CD2 3.68Å; M208-F287 HydrophobicContact CE-CG 3.73Å; L210-F287 HydrophobicContact CD1-CD1 4.44Å; L210-F287 HydrophobicContact CD2-CB 4.08Å; L210-F287 HydrophobicContact CD2-CD1 3.42Å; L210-F287 VanDerWaalsContact CD2-CD1 3.42Å; L210-F287 HydrophobicContact CD2-CE1 4.07Å; L210-F287 HydrophobicContact CD2-CG 3.87Å; V216-F287 HydrophobicContact CB-CE1 4.48Å; V216-F287 HydrophobicContact CB-CZ 4.3Å; V216-F287 HydrophobicContact CG1-CD1 4.47Å; V216-F287 HydrophobicContact CG1-CD2 4.47Å; V216-F287 HydrophobicContact CG1-CE1 4.09Å; V216-F287 HydrophobicContact CG1-CE2 4.09Å; V216-F287 HydrophobicContact CG1-CZ 3.9Å; V216-F287 HydrophobicContact CG2-CE1 4.11Å; V216-F287 HydrophobicContact CG2-CE2 4.33Å; V216-F287 HydrophobicContact CG2-CZ 3.61Å; L218-F287 HydrophobicContact CD2-CD2 3.83Å; L218-F287 HydrophobicContact CD2-CE2 3.57Å; L221-F287 HydrophobicContact CD2-CE2 3.62Å; L221-F287 HydrophobicContact CD2-CZ 4.04Å; A283-F287 VanDerWaalsContact O-CD2 3.23Å; A283-F287 WeakPolarHBondContact O-CD2 3.45Å; L284-F287 PolarHBondContact O-N 2.86Å; L284-F287 VanDerWaalsContact O-N 3.14Å; H285-F287 PolarHBondContact O-N 3.44Å; H285-F287 VanDerWaalsContact O-N 3.11Å; F287-H289 VanDerWaalsContact C-N 3.3Å; F287-H289 PolarHBondContact O-CD2 3.41Å; F287-H289 PolarHBondContact O-N 3.29Å
288G94.3Very high97.3Very high66 Ų6629.9 Ų29.968%0.6816%0.161SC*.THydrogen-bonded Turntrans81.91.6175.500000115.2L284 H285L284-G288 PolarHBondContact O-N 3.07Å; H285-G288 PolarHBondContact O-N 3.35Å
289H95.9Very high97.1Very high35 Ų3532.4 Ų32.416%0.16219%0.186CC..  trans-91.3161.3179-65.1-72000112.2P257 D258 L284 H285 F287P257-H289 HydrophobicContact CB-CB 3.87Å; D258-H289 IonicContact OD1-CE1 3.87Å; D258-H289 IonicContact OD1-CG 2.78Å; D258-H289 IonicContact OD1-ND1 3.68Å; D258-H289 PolarHBondContact OD1-ND1 2.99Å; D258-H289 IonicContact OD2-CE1 3.5Å; D258-H289 IonicContact OD2-ND1 2.9Å; D258-H289 PolarHBondContact OD2-ND1 3.22Å; L284-H289 HydrophobicContact CB-CB 4.15Å; L284-H289 HydrophobicContact CD2-CB 4.33Å; L284-H289 PolarHBondContact O-N 2.89Å; L284-H289 VanDerWaalsContact O-N 3.14Å; H285-H289 WeakPolarHBondContact CA-O 3.45Å; F287-H289 VanDerWaalsContact C-N 3.3Å; F287-H289 PolarHBondContact O-CD2 3.41Å; F287-H289 PolarHBondContact O-N 3.29Å
290R95.8Very high97Very high144 Ų14436.5 Ų36.554%0.54321%0.208SC..  trans-135.4123.8178.5-64.3-177.3-173.6178.11.2110.9W323R290-W323 HydrophobicContact CB-CE3 4.05Å; R290-W323 HydrophobicContact CB-CH2 4.19Å; R290-W323 HydrophobicContact CB-CZ3 3.81Å; R290-W323 HydrophobicContact CG-CD2 4.06Å; R290-W323 HydrophobicContact CG-CE3 4.03Å; R290-W323 HydrophobicContact CG-CH2 4.21Å; R290-W323 HydrophobicContact CG-CZ2 4.25Å; R290-W323 HydrophobicContact CG-CZ3 4.08Å
291A97.4Very high97Very high5 Ų537 Ų374%0.04121%0.211CC..  trans-58146.2166.600000110.5F260 F277 A281 L327F260-A291 HydrophobicContact CB-CB 4.38Å; F260-A291 HydrophobicContact CD1-CB 3.75Å; F260-A291 HydrophobicContact CG-CB 4.47Å; F277-A291 HydrophobicContact CE2-CB 3.95Å; F277-A291 HydrophobicContact CZ-CB 4.02Å; A281-A291 HydrophobicContact CB-CB 3.76Å; A291-L327 HydrophobicContact CB-CD2 4.16Å; A291-L327 WeakPolarHBondContact O-CD2 3.38Å
292I97.3Very high96.9Very high67 Ų6737.2 Ų37.234%0.34421%0.212SC..  trans-83.2-38.6177.6-65.6-175.3000110.5D258 C259 F260 I261 K328D258-I292 WeakPolarHBondContact O-CD1 3.15Å; C259-I292 HydrophobicContact CB-CD1 4.44Å; F260-I292 PolarHBondContact O-N 3.21Å; I261-I292 HydrophobicContact CD1-CB 4.23Å; I261-I292 HydrophobicContact CD1-CG2 3.88Å; I261-I292 HydrophobicContact CG1-CB 3.73Å; I261-I292 HydrophobicContact CG1-CG2 3.88Å; I292-K328 HydrophobicContact CG2-CG 4.46Å; I292-K328 WeakPolarHBondContact O-CB 2.92Å; I292-K328 PolarHBondContact O-N 2.84Å
293G98.2Very high96.9Very high0 Ų042.5 Ų42.50%023%0.233CC..EExtended strand (participates in β ladder)trans158.2-149.6-178.200000114.8F260 I261 A262 F277 K328F260-G293 PolarHBondContact O-N 3.15Å; I261-G293 VanDerWaalsContact CA-O 3.27Å; I261-G293 WeakPolarHBondContact CA-O 3.5Å; A262-G293 PolarHBondContact N-O 3.04Å; F277-G293 WeakPolarHBondContact CE2-O 3.17Å; G293-K328 CarbonylContact C-O 3.43Å; G293-K328 WeakPolarHBondContact CA-O 3.03Å
294I98.6Very high96.9Very high0 Ų043.3 Ų43.30%024%0.238CC..EExtended strand (participates in β ladder)trans-135.7164.5-173.963.382.9000112.1A262 L264 F277 L296 V308 F312 K328 I329 N330A262-I294 CarbonylContact O-C 3.33Å; A262-I294 VanDerWaalsContact O-CA 3.23Å; A262-I294 WeakPolarHBondContact O-CA 3.38Å; L264-I294 HydrophobicContact CD1-CB 3.83Å; L264-I294 HydrophobicContact CD1-CD1 3.85Å; L264-I294 HydrophobicContact CD1-CG1 3.84Å; L264-I294 HydrophobicContact CD1-CG2 4.01Å; L264-I294 HydrophobicContact CD2-CB 4Å; L264-I294 HydrophobicContact CD2-CG2 3.74Å; L264-I294 HydrophobicContact CG-CB 3.82Å; L264-I294 HydrophobicContact CG-CD1 4.33Å; L264-I294 HydrophobicContact CG-CG1 4.34Å; L264-I294 HydrophobicContact CG-CG2 4.09Å; F277-I294 HydrophobicContact CB-CG2 4.36Å; F277-I294 HydrophobicContact CD1-CG2 3.44Å; F277-I294 VanDerWaalsContact CD1-CG2 3.44Å; F277-I294 HydrophobicContact CD2-CG2 3.64Å; F277-I294 HydrophobicContact CE1-CG2 3.5Å; F277-I294 VanDerWaalsContact CE1-CG2 3.5Å; F277-I294 HydrophobicContact CE2-CG2 3.68Å; F277-I294 HydrophobicContact CG-CG2 3.5Å; F277-I294 HydrophobicContact CZ-CG2 3.61Å; I294-L296 HydrophobicContact CD1-CD1 4.48Å; I294-L296 HydrophobicContact CD1-CD2 4.12Å; I294-L296 HydrophobicContact CD1-CG 3.83Å; I294-V308 HydrophobicContact CD1-CG1 4.17Å; I294-V308 HydrophobicContact CG1-CG1 3.99Å; I294-F312 HydrophobicContact CB-CZ 4.5Å; I294-F312 HydrophobicContact CG1-CE2 4.17Å; I294-F312 HydrophobicContact CG1-CZ 3.85Å; I294-F312 HydrophobicContact CG2-CZ 3.82Å; I294-K328 PolarHBondContact N-O 3.2Å; I294-I329 HydrophobicContact CD1-CB 4.31Å; I294-I329 HydrophobicContact CD1-CG1 4.14Å; I294-I329 HydrophobicContact CD1-CG2 3.95Å; I294-I329 HydrophobicContact CG1-CG1 4.26Å; I294-N330 VanDerWaalsContact O-CB 3.3Å; I294-N330 WeakPolarHBondContact O-CB 3.22Å; I294-N330 PolarHBondContact O-N 3.45Å; I294-N330 PolarHBondContact O-ND2 3.06Å
295R98.6Very high97Very high32 Ų3243.3 Ų43.312%0.12124%0.238CC..EExtended strand (participates in β ladder)trans-123.5133.6172.4-178.6177.2167.4-140.1-13.9110.2T187 M188 I261 A262 L263 L264 D297 N330 S332T187-R295 HydrophobicContact CG2-CB 4.34Å; T187-R295 VanDerWaalsContact OG1-CD 3.25Å; T187-R295 WeakPolarHBondContact OG1-CD 3.17Å; T187-R295 PolarHBondContact OG1-NH1 2.67Å; M188-R295 PolarHBondContact O-NH1 3.16Å; I261-R295 HydrophobicContact CG2-CB 4.5Å; A262-R295 PolarHBondContact O-N 3.29Å; L263-R295 HydrophobicContact CD1-CB 4.14Å; L263-R295 HydrophobicContact CD1-CG 3.93Å; L264-R295 PolarHBondContact N-O 3.18Å; R295-D297 IonicContact CZ-OD1 2.73Å; R295-D297 IonicContact NH2-OD1 3.88Å; R295-D297 PolarHBondContact NH2-OD1 2.75Å; R295-D297 IonicContact NH2-OD2 3.65Å; R295-D297 PolarHBondContact NH2-OD2 3.08Å; R295-N330 CarbonylContact C-O 3.4Å; R295-N330 VanDerWaalsContact CA-O 3.27Å; R295-N330 WeakPolarHBondContact CA-O 3.41Å; R295-N330 HydrophobicContact CB-CB 4.38Å; R295-S332 VanDerWaalsContact CZ-OG 3.29Å; R295-S332 PolarHBondContact NE-OG 3.08Å; R295-S332 PolarHBondContact NH2-OG 3.31Å
296L98.4Very high97.1Very high0 Ų045.3 Ų45.30%025%0.245CC..EExtended strand (participates in β ladder)trans-107124168.1-59.7174.9000108.2L264 V269 I294 L301 L304 I329 N330 A331 S332L264-L296 HydrophobicContact CB-CD2 4.24Å; L264-L296 HydrophobicContact CD1-CD2 4.18Å; L264-L296 HydrophobicContact CG-CD2 4.49Å; V269-L296 HydrophobicContact CG1-CD2 3.66Å; V269-L296 HydrophobicContact CG2-CD2 4.09Å; I294-L296 HydrophobicContact CD1-CD1 4.48Å; I294-L296 HydrophobicContact CD1-CD2 4.12Å; I294-L296 HydrophobicContact CD1-CG 3.83Å; L296-L301 HydrophobicContact CB-CD2 3.75Å; L296-L304 HydrophobicContact CD1-CB 3.92Å; L296-I329 HydrophobicContact CD1-CG2 4.25Å; L296-N330 PolarHBondContact N-O 2.64Å; L296-A331 WeakPolarHBondContact O-CA 3.47Å; L296-S332 PolarHBondContact O-N 3.35Å
297D96.9Very high97.2Very high42 Ų4246.1 Ų46.123%0.22525%0.245CC..  trans-108.1-8.6179.8-151.935.9000114.5H190 L263 D265 R295 S332 N333H190-D297 IonicContact NE2-OD2 2.74Å; L263-D297 HydrophobicContact CD1-CB 3.86Å; D265-D297 PolarHBondContact OD1-N 3.46Å; D265-D297 VanDerWaalsContact OD2-CA 3.23Å; D265-D297 WeakPolarHBondContact OD2-CA 3.28Å; D265-D297 WeakPolarHBondContact OD2-CB 3.22Å; D265-D297 PolarHBondContact OD2-N 2.95Å; R295-D297 IonicContact CZ-OD1 2.73Å; R295-D297 IonicContact NH2-OD1 3.88Å; R295-D297 PolarHBondContact NH2-OD1 2.75Å; R295-D297 IonicContact NH2-OD2 3.65Å; R295-D297 PolarHBondContact NH2-OD2 3.08Å; D297-S332 CarbonylContact C-O 3.57Å; D297-S332 VanDerWaalsContact C-O 3.31Å; D297-S332 WeakPolarHBondContact CA-O 3.41Å; D297-S332 WeakPolarHBondContact OD1-CB 3.32Å; D297-S332 PolarHBondContact OD1-OG 2.81Å; D297-N333 VanDerWaalsContact O-CB 3.3Å; D297-N333 WeakPolarHBondContact O-CB 3.28Å; D297-N333 VanDerWaalsContact O-CG 3.3Å
298S95.9Very high97.3Very high50 Ų5043.1 Ų43.135%0.3523%0.232SC..SBendtrans-157178.7-17371.30000113D265 L304D265-S298 WeakPolarHBondContact OD2-CA 3.47Å; D265-S298 WeakPolarHBondContact OD2-CB 3.32Å; D265-S298 PolarHBondContact OD2-N 3.12Å; D265-S298 PolarHBondContact OD2-OG 2.92Å; S298-L304 WeakPolarHBondContact O-CD1 3.44Å
299G94.3Very high97.5Very high52 Ų5240.5 Ų40.554%0.53620%0.202SC..SBendtrans74.9-167.9-17900000114.3L301G299-L301 PolarHBondContact O-N 2.63Å; G299-L301 VanDerWaalsContact O-N 3.13Å
300D96.4Very high97.6Very high87 Ų8741.4 Ų41.447%0.46521%0.212SC..  trans-77.494.5175-179.1-15.3000110S302 Y303 L304D300-S302 PolarHBondContact O-N 3.4Å; D300-S302 WeakPolarHBondContact OD1-CB 3.4Å; D300-S302 PolarHBondContact OD1-N 3.02Å; D300-Y303 VanDerWaalsContact CG-CB 3.45Å; D300-Y303 PolarHBondContact O-N 3.07Å; D300-Y303 PolarHBondContact OD1-N 2.95Å; D300-Y303 WeakPolarHBondContact OD2-CB 3.32Å; D300-L304 WeakPolarHBondContact O-CB 3.28Å; D300-L304 WeakPolarHBondContact O-CG 3.44Å; D300-L304 PolarHBondContact O-N 3.19Å
301L97.6Very high97.8Very high10 Ų1035.4 Ų35.45%0.05219%0.191CC..Hα-helixtrans-60.2-30.7-177.5-60.7177000113.5L296 G299 S305 A331 N333 L335 L343 I350L296-L301 HydrophobicContact CB-CD2 3.75Å; G299-L301 PolarHBondContact O-N 2.63Å; G299-L301 VanDerWaalsContact O-N 3.13Å; L301-S305 WeakPolarHBondContact O-CB 3.23Å; L301-S305 PolarHBondContact O-N 3.46Å; L301-S305 PolarHBondContact O-OG 2.9Å; L301-A331 HydrophobicContact CD1-CB 4.23Å; L301-A331 HydrophobicContact CD2-CB 4.4Å; L301-N333 HydrophobicContact CD1-CB 4.09Å; L301-L335 HydrophobicContact CD1-CD2 3.81Å; L301-L343 HydrophobicContact CB-CD2 4.07Å; L301-I350 HydrophobicContact CB-CD1 4.11Å
302S97.6Very high97.8Very high5 Ų535.2 Ų35.24%0.03519%0.19CC..Hα-helixtrans-68.4-51.9177.4170.60000110.2D300 S305 K306 G347D300-S302 PolarHBondContact O-N 3.4Å; D300-S302 WeakPolarHBondContact OD1-CB 3.4Å; D300-S302 PolarHBondContact OD1-N 3.02Å; S302-S305 PolarHBondContact O-OG 2.61Å; S302-S305 VanDerWaalsContact O-OG 3.11Å; S302-K306 WeakPolarHBondContact O-CD 3.37Å; S302-K306 WeakPolarHBondContact O-CG 3.15Å; S302-K306 PolarHBondContact O-N 2.6Å; S302-K306 PolarHBondContact OG-NZ 3.45Å; S302-G347 PolarHBondContact OG-O 2.9Å
303Y98.3Very high97.9Very high110 Ų11037.7 Ų37.743%0.43120%0.195SC..Hα-helixtrans-64-50.2177.5171-102000112.2L270 D300 S305 K306 K307L270-Y303 HydrophobicContact CD1-CE1 4.1Å; D300-Y303 VanDerWaalsContact CG-CB 3.45Å; D300-Y303 PolarHBondContact O-N 3.07Å; D300-Y303 PolarHBondContact OD1-N 2.95Å; D300-Y303 WeakPolarHBondContact OD2-CB 3.32Å; Y303-S305 PolarHBondContact O-N 3.23Å; Y303-K306 PolarHBondContact O-N 3.19Å; Y303-K307 HydrophobicContact CD1-CG 4.42Å; Y303-K307 HydrophobicContact CD2-CG 4.24Å; Y303-K307 HydrophobicContact CE1-CG 3.98Å; Y303-K307 HydrophobicContact CE2-CD 4.18Å; Y303-K307 HydrophobicContact CE2-CG 3.78Å; Y303-K307 WeakPolarHBondContact O-CG 3.21Å; Y303-K307 PolarHBondContact O-N 3.39Å; Y303-K307 WeakPolarHBondContact OH-CE 3.34Å
304L98.5Very high97.8Very high18 Ų1842.4 Ų42.49%0.09422%0.215CC..Hα-helixtrans-63.8-43.9-175.7-70.7174000111.7V269 L270 L296 S298 D300 K306 K307 V308V269-L304 HydrophobicContact CB-CD2 4.04Å; V269-L304 HydrophobicContact CG1-CD2 3.99Å; V269-L304 HydrophobicContact CG2-CD1 4.16Å; V269-L304 HydrophobicContact CG2-CD2 4.47Å; L270-L304 HydrophobicContact CD1-CD2 4.25Å; L270-L304 HydrophobicContact CG-CD2 4.17Å; L296-L304 HydrophobicContact CD1-CB 3.92Å; S298-L304 WeakPolarHBondContact O-CD1 3.44Å; D300-L304 WeakPolarHBondContact O-CB 3.28Å; D300-L304 WeakPolarHBondContact O-CG 3.44Å; D300-L304 PolarHBondContact O-N 3.19Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 3.02Å; L304-K307 PolarHBondContact O-N 3.25Å; L304-V308 WeakPolarHBondContact O-CB 3.29Å; L304-V308 VanDerWaalsContact O-CG2 3.31Å; L304-V308 WeakPolarHBondContact O-CG2 3.41Å; L304-V308 PolarHBondContact O-N 2.92Å
305S98.6Very high97.8Very high0 Ų042.4 Ų42.40%022%0.215CC..Hα-helixtrans-60.6-41.2177.561.40000112.3L301 S302 Y303 R309 I329 E349L301-S305 WeakPolarHBondContact O-CB 3.23Å; L301-S305 PolarHBondContact O-N 3.46Å; L301-S305 PolarHBondContact O-OG 2.9Å; S302-S305 PolarHBondContact O-OG 2.61Å; S302-S305 VanDerWaalsContact O-OG 3.11Å; Y303-S305 PolarHBondContact O-N 3.23Å; S305-R309 WeakPolarHBondContact O-CB 3.44Å; S305-R309 PolarHBondContact O-N 3.44Å; S305-I329 WeakPolarHBondContact O-CD1 3.41Å; S305-E349 PolarHBondContact OG-N 2.73Å; S305-E349 VanDerWaalsContact OG-N 3.11Å
306K98.7Very high97.7Very high86 Ų8641.2 Ų41.237%0.37421%0.212SC..Hα-helixtrans-63.9-44175.5-72167.5176.61560112.1S302 Y303 L304 S310 Q346 G347 E349S302-K306 WeakPolarHBondContact O-CD 3.37Å; S302-K306 WeakPolarHBondContact O-CG 3.15Å; S302-K306 PolarHBondContact O-N 2.6Å; S302-K306 PolarHBondContact OG-NZ 3.45Å; Y303-K306 PolarHBondContact O-N 3.19Å; L304-K306 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 3.02Å; K306-S310 WeakPolarHBondContact O-CB 3.36Å; K306-S310 PolarHBondContact O-N 3Å; K306-Q346 PolarHBondContact NZ-O 3.37Å; K306-G347 VanDerWaalsContact CE-C 3.46Å; K306-G347 WeakPolarHBondContact CE-O 3.43Å; K306-G347 PolarHBondContact NZ-O 3.01Å; K306-E349 HydrophobicContact CG-CG 4.12Å
307K98.3Very high97.7Very high97 Ų9747.3 Ų47.342%0.42225%0.245SC..Hα-helixtrans-64.9-45.6178.2-71.3-62.1-174.11790111.8L270 Y303 L304 S310 V311L270-K307 HydrophobicContact CD1-CB 4.26Å; L270-K307 HydrophobicContact CD1-CG 4.35Å; L270-K307 HydrophobicContact CD2-CB 3.79Å; Y303-K307 HydrophobicContact CD1-CG 4.42Å; Y303-K307 HydrophobicContact CD2-CG 4.24Å; Y303-K307 HydrophobicContact CE1-CG 3.98Å; Y303-K307 HydrophobicContact CE2-CD 4.18Å; Y303-K307 HydrophobicContact CE2-CG 3.78Å; Y303-K307 WeakPolarHBondContact O-CG 3.21Å; Y303-K307 PolarHBondContact O-N 3.39Å; Y303-K307 WeakPolarHBondContact OH-CE 3.34Å; L304-K307 PolarHBondContact O-N 3.25Å; K307-S310 WeakPolarHBondContact O-CB 3.43Å; K307-S310 PolarHBondContact O-N 3.15Å; K307-V311 PolarHBondContact O-N 2.81Å
308V98.6Very high97.7Very high0 Ų050.2 Ų50.20%026%0.257CS..Hα-helixtrans-61.5-46.6176.1170.60000111.1L264 V269 L270 V274 I294 L304 S310 V311 F312 I329L264-V308 HydrophobicContact CD1-CG1 4.42Å; L264-V308 HydrophobicContact CD1-CG2 4.07Å; V269-V308 HydrophobicContact CG1-CG2 3.93Å; L270-V308 HydrophobicContact CD2-CG2 4.39Å; V274-V308 HydrophobicContact CG2-CG1 4.26Å; V274-V308 HydrophobicContact CG2-CG2 4.32Å; I294-V308 HydrophobicContact CD1-CG1 4.17Å; I294-V308 HydrophobicContact CG1-CG1 3.99Å; L304-V308 WeakPolarHBondContact O-CB 3.29Å; L304-V308 VanDerWaalsContact O-CG2 3.31Å; L304-V308 WeakPolarHBondContact O-CG2 3.41Å; L304-V308 PolarHBondContact O-N 2.92Å; V308-S310 VanDerWaalsContact C-N 3.27Å; V308-S310 PolarHBondContact O-N 3.45Å; V308-V311 WeakPolarHBondContact O-CB 3.27Å; V308-V311 PolarHBondContact O-N 3.22Å; V308-F312 HydrophobicContact CG1-CD1 4.39Å; V308-F312 HydrophobicContact CG1-CD2 4.18Å; V308-F312 HydrophobicContact CG1-CE1 3.84Å; V308-F312 HydrophobicContact CG1-CE2 3.62Å; V308-F312 HydrophobicContact CG1-CZ 3.43Å; V308-F312 VanDerWaalsContact CG1-CZ 3.43Å; V308-F312 WeakPolarHBondContact O-CG 3.32Å; V308-F312 PolarHBondContact O-N 3.37Å; V308-I329 HydrophobicContact CB-CD1 4.29Å; V308-I329 HydrophobicContact CG1-CD1 4Å; V308-I329 HydrophobicContact CG1-CG1 4.33Å
309R98.5Very high97.7Very high10 Ų1049.2 Ų49.24%0.03825%0.246CC..Hα-helixtrans-59-39.5175.5-177.965.965.8-157.4-7.7112.3S305 V311 F312 R313 G325 L327 I329 E349 D351S305-R309 WeakPolarHBondContact O-CB 3.44Å; S305-R309 PolarHBondContact O-N 3.44Å; R309-V311 VanDerWaalsContact C-N 3.33Å; R309-F312 PolarHBondContact O-N 2.9Å; R309-R313 VanDerWaalsContact CG-CZ 3.45Å; R309-R313 WeakPolarHBondContact O-CG 3.3Å; R309-R313 PolarHBondContact O-N 3.35Å; R309-G325 PolarHBondContact NH1-O 3.01Å; R309-L327 PolarHBondContact NH1-O 3.04Å; R309-L327 PolarHBondContact NH2-O 3.07Å; R309-L327 VanDerWaalsContact NH2-O 3.16Å; R309-I329 HydrophobicContact CB-CD1 3.98Å; R309-E349 HydrophobicContact CB-CB 3.77Å; R309-E349 HydrophobicContact CB-CG 3.88Å; R309-E349 HydrophobicContact CG-CB 4.14Å; R309-E349 HydrophobicContact CG-CG 3.97Å; R309-E349 IonicContact NE-OE2 2.84Å; R309-E349 PolarHBondContact NH2-O 3.22Å; R309-D351 IonicContact NH2-OD2 3.55Å; R309-D351 PolarHBondContact NH2-OD2 2.9Å
310S98.1Very high97.8Very high55 Ų5551.3 Ų51.339%0.38525%0.253SS..Hα-helixtrans-63.1-39.4175.5-1770000112K306 K307 V308 K314K306-S310 WeakPolarHBondContact O-CB 3.36Å; K306-S310 PolarHBondContact O-N 3Å; K307-S310 WeakPolarHBondContact O-CB 3.43Å; K307-S310 PolarHBondContact O-N 3.15Å; V308-S310 VanDerWaalsContact C-N 3.27Å; V308-S310 PolarHBondContact O-N 3.45Å; S310-K314 WeakPolarHBondContact O-CG 3.35Å; S310-K314 PolarHBondContact O-N 3.46Å; S310-K314 VanDerWaalsContact O-N 3.07Å
311V98.2Very high97.8Very high18 Ų1849.1 Ų49.111%0.10924%0.239CC..Hα-helixtrans-62.7-47173.7170.10000110.1L233 V274 K307 V308 R309 R313 K314 M315L233-V311 HydrophobicContact CD1-CG1 3.93Å; L233-V311 HydrophobicContact CD1-CG2 4.33Å; L233-V311 HydrophobicContact CD2-CG1 4.17Å; L233-V311 HydrophobicContact CD2-CG2 4.18Å; V274-V311 HydrophobicContact CG2-CB 4.17Å; V274-V311 HydrophobicContact CG2-CG1 3.83Å; K307-V311 PolarHBondContact O-N 2.81Å; V308-V311 WeakPolarHBondContact O-CB 3.27Å; V308-V311 PolarHBondContact O-N 3.22Å; R309-V311 VanDerWaalsContact C-N 3.33Å; V311-R313 PolarHBondContact O-N 2.93Å; V311-K314 WeakPolarHBondContact O-CB 3.43Å; V311-K314 PolarHBondContact O-N 3.37Å; V311-K314 VanDerWaalsContact O-N 3.16Å; V311-M315 HydrophobicContact CG1-CG 4.29Å; V311-M315 WeakPolarHBondContact O-CG 3.28Å; V311-M315 PolarHBondContact O-N 3.34Å
312F98.6Very high97.7Very high0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-58.5-44.9178.4-68.6-9.4000113.2V274 F277 I294 V308 R309 M315 A316 F324 L327 I329V274-F312 HydrophobicContact CG2-CE1 4.16Å; F277-F312 AromaticContact CD1-CE1 3.76Å; F277-F312 HydrophobicContact CD1-CE1 3.76Å; F277-F312 HydrophobicContact CD1-CZ 4.02Å; F277-F312 AromaticContact CE1-CE1 3.49Å; F277-F312 HydrophobicContact CE1-CE1 3.49Å; F277-F312 VanDerWaalsContact CE1-CE1 3.49Å; F277-F312 AromaticContact CE1-CZ 3.54Å; F277-F312 HydrophobicContact CE1-CZ 3.54Å; F277-F312 HydrophobicContact CZ-CZ 4.43Å; I294-F312 HydrophobicContact CB-CZ 4.5Å; I294-F312 HydrophobicContact CG1-CE2 4.17Å; I294-F312 HydrophobicContact CG1-CZ 3.85Å; I294-F312 HydrophobicContact CG2-CZ 3.82Å; V308-F312 HydrophobicContact CG1-CD1 4.39Å; V308-F312 HydrophobicContact CG1-CD2 4.18Å; V308-F312 HydrophobicContact CG1-CE1 3.84Å; V308-F312 HydrophobicContact CG1-CE2 3.62Å; V308-F312 HydrophobicContact CG1-CZ 3.43Å; V308-F312 VanDerWaalsContact CG1-CZ 3.43Å; V308-F312 WeakPolarHBondContact O-CG 3.32Å; V308-F312 PolarHBondContact O-N 3.37Å; R309-F312 PolarHBondContact O-N 2.9Å; F312-M315 PolarHBondContact O-N 2.86Å; F312-A316 WeakPolarHBondContact O-CB 3.37Å; F312-A316 PolarHBondContact O-N 3.06Å; F312-F324 HydrophobicContact CB-CD1 4.44Å; F312-F324 WeakPolarHBondContact CB-O 3.42Å; F312-F324 HydrophobicContact CD1-CD1 4.43Å; F312-F324 HydrophobicContact CD1-CE1 4.06Å; F312-L327 HydrophobicContact CD1-CD1 4.28Å; F312-L327 HydrophobicContact CD2-CB 3.67Å; F312-L327 HydrophobicContact CD2-CD1 4.36Å; F312-L327 HydrophobicContact CE1-CD1 4.29Å; F312-L327 HydrophobicContact CE2-CB 3.59Å; F312-L327 HydrophobicContact CE2-CD1 4.35Å; F312-L327 HydrophobicContact CG-CB 4.39Å; F312-L327 HydrophobicContact CG-CD1 4.32Å; F312-L327 HydrophobicContact CZ-CB 4.26Å; F312-L327 HydrophobicContact CZ-CD1 4.31Å; F312-I329 HydrophobicContact CE2-CD1 4.46Å; F312-I329 HydrophobicContact CE2-CG1 4.1Å
313R98.2Very high97.6Very high120 Ų12055 Ų5545%0.45327%0.273SS..Hα-helixtrans-62.2-43.7175.5-70.2176.2-177.4143.17.2111.5R309 V311 M315 A316 D317 E349R309-R313 VanDerWaalsContact CG-CZ 3.45Å; R309-R313 WeakPolarHBondContact O-CG 3.3Å; R309-R313 PolarHBondContact O-N 3.35Å; V311-R313 PolarHBondContact O-N 2.93Å; R313-M315 PolarHBondContact O-N 3.42Å; R313-A316 WeakPolarHBondContact O-CB 3.23Å; R313-A316 PolarHBondContact O-N 3.22Å; R313-D317 VanDerWaalsContact O-CG 3.27Å; R313-D317 PolarHBondContact O-N 2.91Å; R313-E349 IonicContact CZ-OE1 3.72Å; R313-E349 IonicContact NH1-OE1 3.03Å; R313-E349 PolarHBondContact NH1-OE1 3.04Å; R313-E349 VanDerWaalsContact NH1-OE1 3.1Å; R313-E349 IonicContact NH2-OE1 2.88Å; R313-E349 PolarHBondContact NH2-OE1 3.04Å; R313-E349 IonicContact NH2-OE2 3.33Å; R313-E349 PolarHBondContact NH2-OE2 3.19Å
314K97.7Very high97.6Very high98 Ų9849.8 Ų49.843%0.42625%0.252SS..Hα-helixtrans-59.9-43.3174.9-75.5-177175.8-163.10112.6L233 S310 V311 D317 H318L233-K314 HydrophobicContact CD2-CB 4.46Å; L233-K314 HydrophobicContact CD2-CD 3.94Å; S310-K314 WeakPolarHBondContact O-CG 3.35Å; S310-K314 PolarHBondContact O-N 3.46Å; S310-K314 VanDerWaalsContact O-N 3.07Å; V311-K314 WeakPolarHBondContact O-CB 3.43Å; V311-K314 PolarHBondContact O-N 3.37Å; V311-K314 VanDerWaalsContact O-N 3.16Å; K314-D317 PolarHBondContact O-N 2.7Å; K314-H318 VanDerWaalsContact O-CB 3.24Å; K314-H318 WeakPolarHBondContact O-CB 3.42Å; K314-H318 PolarHBondContact O-N 2.76Å
315M97.7Very high97.5Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-66.7-40.8176.9-63.2-54.387.600111.1V229 A232 L233 C278 V311 F312 R313 D317 H318 F319 F324V229-M315 HydrophobicContact CB-SD 4.45Å; V229-M315 HydrophobicContact CG1-SD 4.22Å; V229-M315 HydrophobicContact CG2-SD 4.03Å; A232-M315 HydrophobicContact CB-CE 3.51Å; A232-M315 HydrophobicContact CB-SD 4.25Å; L233-M315 HydrophobicContact CD2-CE 3.64Å; L233-M315 HydrophobicContact CG-CE 3.87Å; C278-M315 HydrophobicContact CB-CG 4.49Å; V311-M315 HydrophobicContact CG1-CG 4.29Å; V311-M315 WeakPolarHBondContact O-CG 3.28Å; V311-M315 PolarHBondContact O-N 3.34Å; F312-M315 PolarHBondContact O-N 2.86Å; R313-M315 PolarHBondContact O-N 3.42Å; M315-D317 VanDerWaalsContact C-N 3.3Å; M315-D317 PolarHBondContact O-N 3.01Å; M315-H318 PolarHBondContact O-N 3Å; M315-F319 HydrophobicContact CB-CD2 4.39Å; M315-F319 WeakPolarHBondContact O-CD2 3.22Å; M315-F319 PolarHBondContact O-N 2.78Å; M315-F319 HydrophobicContact SD-CE2 3.99Å; M315-F324 HydrophobicContact CB-CD1 3.67Å; M315-F324 HydrophobicContact CB-CE1 3.64Å; M315-F324 HydrophobicContact CB-CG 4.41Å; M315-F324 HydrophobicContact CB-CZ 4.36Å; M315-F324 HydrophobicContact CG-CD1 4.49Å; M315-F324 HydrophobicContact CG-CE1 4Å
316A97.8Very high97.4Very high8 Ų854.9 Ų54.97%0.06628%0.282CS..Hα-helixtrans-57.5-44175.200000111.7F312 R313 S320 F321 F324F312-A316 WeakPolarHBondContact O-CB 3.37Å; F312-A316 PolarHBondContact O-N 3.06Å; R313-A316 WeakPolarHBondContact O-CB 3.23Å; R313-A316 PolarHBondContact O-N 3.22Å; A316-S320 CarbonylContact O-C 3.52Å; A316-S320 WeakPolarHBondContact O-CA 3.36Å; A316-S320 PolarHBondContact O-N 2.64Å; A316-F321 WeakPolarHBondContact CA-O 3.49Å; A316-F321 WeakPolarHBondContact CB-O 2.83Å; A316-F321 PolarHBondContact O-N 3.08Å; A316-F324 HydrophobicContact CB-CB 4.06Å
317D96.9Very high97.4Very high128 Ų12851 Ų5168%0.68427%0.265SS*.Hα-helixtrans-70.3-47177.8-63.7-24.9000111.4R313 K314 M315 F319 S320R313-D317 VanDerWaalsContact O-CG 3.27Å; R313-D317 PolarHBondContact O-N 2.91Å; K314-D317 PolarHBondContact O-N 2.7Å; M315-D317 VanDerWaalsContact C-N 3.3Å; M315-D317 PolarHBondContact O-N 3.01Å; D317-F319 PolarHBondContact O-N 2.67Å; D317-S320 PolarHBondContact O-N 2.78Å
318H97Very high97.4Very high102 Ų10250.4 Ų50.447%0.47226%0.263SS..Hα-helixtrans-62.3-44.4-176.4-172.985.2000112.7A232 K314 M315A232-H318 HydrophobicContact CB-CB 4.41Å; K314-H318 VanDerWaalsContact O-CB 3.24Å; K314-H318 WeakPolarHBondContact O-CB 3.42Å; K314-H318 PolarHBondContact O-N 2.76Å; M315-H318 PolarHBondContact O-N 3Å
319F96.7Very high97.4Very high30 Ų3050.4 Ų50.413%0.13226%0.263CS..Hα-helixtrans-92.9-1.8179.7-66.2-78.6000113.2Y225 Q228 L282 M315 D317 F321Y225-F319 HydrophobicContact CD1-CE1 4.24Å; Y225-F319 HydrophobicContact CD1-CZ 4.36Å; Y225-F319 HydrophobicContact CE1-CE1 4.05Å; Q228-F319 HydrophobicContact CB-CE1 4.46Å; Q228-F319 HydrophobicContact CB-CZ 3.94Å; L282-F319 HydrophobicContact CD1-CD2 3.99Å; L282-F319 HydrophobicContact CD1-CE1 4.42Å; L282-F319 HydrophobicContact CD1-CE2 3.47Å; L282-F319 VanDerWaalsContact CD1-CE2 3.47Å; L282-F319 HydrophobicContact CD1-CZ 3.72Å; L282-F319 HydrophobicContact CD2-CB 4.35Å; L282-F319 HydrophobicContact CD2-CD1 4.35Å; L282-F319 HydrophobicContact CD2-CD2 3.76Å; L282-F319 HydrophobicContact CD2-CE2 4.12Å; L282-F319 HydrophobicContact CD2-CG 3.89Å; L282-F319 HydrophobicContact CG-CE2 4.47Å; M315-F319 HydrophobicContact CB-CD2 4.39Å; M315-F319 WeakPolarHBondContact O-CD2 3.22Å; M315-F319 PolarHBondContact O-N 2.78Å; M315-F319 HydrophobicContact SD-CE2 3.99Å; D317-F319 PolarHBondContact O-N 2.67Å; F319-F321 VanDerWaalsContact C-N 3.29Å; F319-F321 HydrophobicContact CB-CD1 4.48Å; F319-F321 HydrophobicContact CB-CD2 3.56Å; F319-F321 HydrophobicContact CB-CE2 3.7Å; F319-F321 HydrophobicContact CB-CG 3.97Å; F319-F321 HydrophobicContact CB-CZ 4.21Å; F319-F321 HydrophobicContact CG-CD2 4.46Å; F319-F321 HydrophobicContact CG-CE2 4.36Å; F319-F321 WeakPolarHBondContact O-CD1 3.46Å; F319-F321 VanDerWaalsContact O-CE1 3.23Å; F319-F321 WeakPolarHBondContact O-CE1 3.28Å; F319-F321 PolarHBondContact O-N 3.37Å
320S96.1Very high97.4Very high95 Ų9550.1 Ų50.166%0.66426%0.262SS*.THydrogen-bonded Turntrans55.641.4-173.8-60.40000113.3A316 D317 P322A316-S320 CarbonylContact O-C 3.52Å; A316-S320 WeakPolarHBondContact O-CA 3.36Å; A316-S320 PolarHBondContact O-N 2.64Å; D317-S320 PolarHBondContact O-N 2.78Å; S320-P322 WeakPolarHBondContact O-CD 3.32Å
321F95.3Very high97.4Very high42 Ų4247.6 Ų47.618%0.18424%0.244CC..  trans-114.885.4179.4-63.1-18.1000111L282 H285 A316 F319 W323 F324L282-F321 HydrophobicContact CD2-CD2 3.84Å; L282-F321 HydrophobicContact CD2-CE2 3.88Å; H285-F321 HydrophobicContact CB-CE2 4.47Å; H285-F321 AromaticContact CD2-CD2 3.78Å; H285-F321 AromaticContact CD2-CE1 3.69Å; H285-F321 AromaticContact CD2-CE2 3.27Å; H285-F321 WeakPolarHBondContact CD2-CE2 3.3Å; H285-F321 AromaticContact CD2-CZ 3.24Å; H285-F321 WeakPolarHBondContact CD2-CZ 3.49Å; H285-F321 AromaticContact CG-CE2 3.91Å; H285-F321 AromaticContact NE2-CD1 3.64Å; H285-F321 AromaticContact NE2-CE1 3.41Å; H285-F321 WeakPolarHBondContact NE2-CE1 3.41Å; H285-F321 AromaticContact NE2-CE2 3.82Å; H285-F321 AromaticContact NE2-CG 3.98Å; H285-F321 AromaticContact NE2-CZ 3.52Å; A316-F321 WeakPolarHBondContact CA-O 3.49Å; A316-F321 WeakPolarHBondContact CB-O 2.83Å; A316-F321 PolarHBondContact O-N 3.08Å; F319-F321 VanDerWaalsContact C-N 3.29Å; F319-F321 HydrophobicContact CB-CD1 4.48Å; F319-F321 HydrophobicContact CB-CD2 3.56Å; F319-F321 HydrophobicContact CB-CE2 3.7Å; F319-F321 HydrophobicContact CB-CG 3.97Å; F319-F321 HydrophobicContact CB-CZ 4.21Å; F319-F321 HydrophobicContact CG-CD2 4.46Å; F319-F321 HydrophobicContact CG-CE2 4.36Å; F319-F321 WeakPolarHBondContact O-CD1 3.46Å; F319-F321 VanDerWaalsContact O-CE1 3.23Å; F319-F321 WeakPolarHBondContact O-CE1 3.28Å; F319-F321 PolarHBondContact O-N 3.37Å; F321-W323 VanDerWaalsContact C-N 3.27Å; F321-W323 PolarHBondContact O-N 3.35Å; F321-W323 VanDerWaalsContact O-N 3.12Å; F321-F324 HydrophobicContact CB-CB 4.31Å; F321-F324 VanDerWaalsContact O-CB 3.24Å; F321-F324 WeakPolarHBondContact O-CB 3.42Å; F321-F324 PolarHBondContact O-N 2.95Å
322P95.6Very high97.3Very high102 Ų10247.1 Ų47.166%0.66224%0.242SC*.G310 helixtrans-55.2-37.7-172.7-28.434.8000114.6S320 F324 G325S320-P322 WeakPolarHBondContact O-CD 3.32Å; P322-F324 PolarHBondContact O-N 3.37Å; P322-F324 VanDerWaalsContact O-N 3.12Å; P322-G325 PolarHBondContact O-N 2.76Å; P322-G325 VanDerWaalsContact O-N 3.1Å
323W96.2Very high97Very high36 Ų3650.4 Ų50.414%0.13626%0.259CS..G310 helixtrans-59.7-25.5-179.470.4-89.4000113.2H285 R290 F321 G325 D326 L327H285-W323 HydrophobicContact CB-CZ2 4.03Å; H285-W323 AromaticContact CE1-NE1 3.26Å; H285-W323 PolarHBondContact CE1-NE1 3.11Å; H285-W323 VanDerWaalsContact CE1-NE1 3.26Å; H285-W323 AromaticContact CG-CZ2 3.9Å; H285-W323 AromaticContact ND1-CE2 3.52Å; H285-W323 AromaticContact ND1-CZ2 3.36Å; H285-W323 WeakPolarHBondContact ND1-CZ2 3.47Å; H285-W323 AromaticContact ND1-NE1 3.23Å; H285-W323 PolarHBondContact ND1-NE1 2.97Å; R290-W323 HydrophobicContact CB-CE3 4.05Å; R290-W323 HydrophobicContact CB-CH2 4.19Å; R290-W323 HydrophobicContact CB-CZ3 3.81Å; R290-W323 HydrophobicContact CG-CD2 4.06Å; R290-W323 HydrophobicContact CG-CE3 4.03Å; R290-W323 HydrophobicContact CG-CH2 4.21Å; R290-W323 HydrophobicContact CG-CZ2 4.25Å; R290-W323 HydrophobicContact CG-CZ3 4.08Å; F321-W323 VanDerWaalsContact C-N 3.27Å; F321-W323 PolarHBondContact O-N 3.35Å; F321-W323 VanDerWaalsContact O-N 3.12Å; W323-G325 VanDerWaalsContact C-N 3.27Å; W323-G325 PolarHBondContact O-N 3.45Å; W323-D326 PolarHBondContact O-N 3.12Å; W323-D326 VanDerWaalsContact O-N 3.17Å; W323-L327 HydrophobicContact CE3-CD2 4.34Å; W323-L327 HydrophobicContact CZ3-CD2 3.87Å; W323-L327 HydrophobicContact CZ3-CG 4.39Å
324F97.9Very high96.7Very high0 Ų049.3 Ų49.30%026%0.263CS..G310 helixtrans-66.1-33.1-179.8-150.5-79.3000111.2C278 A281 L282 F312 M315 A316 F321 P322 D326 L327C278-F324 HydrophobicContact CB-CE1 4.41Å; C278-F324 HydrophobicContact CB-CZ 4.03Å; A281-F324 HydrophobicContact CB-CE2 3.73Å; A281-F324 HydrophobicContact CB-CZ 3.97Å; L282-F324 HydrophobicContact CD2-CD2 4.22Å; L282-F324 HydrophobicContact CD2-CE2 3.83Å; L282-F324 HydrophobicContact CD2-CZ 4.49Å; L282-F324 HydrophobicContact CG-CE2 3.84Å; L282-F324 HydrophobicContact CG-CZ 4.23Å; F312-F324 HydrophobicContact CB-CD1 4.44Å; F312-F324 WeakPolarHBondContact CB-O 3.42Å; F312-F324 HydrophobicContact CD1-CD1 4.43Å; F312-F324 HydrophobicContact CD1-CE1 4.06Å; M315-F324 HydrophobicContact CB-CD1 3.67Å; M315-F324 HydrophobicContact CB-CE1 3.64Å; M315-F324 HydrophobicContact CB-CG 4.41Å; M315-F324 HydrophobicContact CB-CZ 4.36Å; M315-F324 HydrophobicContact CG-CD1 4.49Å; M315-F324 HydrophobicContact CG-CE1 4Å; A316-F324 HydrophobicContact CB-CB 4.06Å; F321-F324 HydrophobicContact CB-CB 4.31Å; F321-F324 VanDerWaalsContact O-CB 3.24Å; F321-F324 WeakPolarHBondContact O-CB 3.42Å; F321-F324 PolarHBondContact O-N 2.95Å; P322-F324 PolarHBondContact O-N 3.37Å; P322-F324 VanDerWaalsContact O-N 3.12Å; F324-D326 PolarHBondContact O-N 3.48Å; F324-L327 HydrophobicContact CD1-CD1 3.61Å; F324-L327 HydrophobicContact CD2-CD1 4.19Å; F324-L327 HydrophobicContact CE1-CD1 3.7Å; F324-L327 HydrophobicContact CE2-CD1 4.27Å; F324-L327 HydrophobicContact CG-CD1 3.88Å; F324-L327 HydrophobicContact CZ-CD1 4.05Å; F324-L327 VanDerWaalsContact O-CD1 3.27Å; F324-L327 WeakPolarHBondContact O-CD1 3.48Å; F324-L327 VanDerWaalsContact O-CG 3.27Å; F324-L327 WeakPolarHBondContact O-CG 3.4Å; F324-L327 PolarHBondContact O-N 3.48Å
325G97.6Very high96.7Very high9 Ų945 Ų459%0.09324%0.244CC..G310 helixtrans-66.3-22.8176.500000113.4R309 P322 W323R309-G325 PolarHBondContact NH1-O 3.01Å; P322-G325 PolarHBondContact O-N 2.76Å; P322-G325 VanDerWaalsContact O-N 3.1Å; W323-G325 VanDerWaalsContact C-N 3.27Å; W323-G325 PolarHBondContact O-N 3.45Å
326D96.2Very high96.5Very high116 Ų11646 Ų4662%0.6225%0.25SC*.G310 helixtrans-99.43-174.6-68.9-31.6000114.1W323 F324 K328W323-D326 PolarHBondContact O-N 3.12Å; W323-D326 VanDerWaalsContact O-N 3.17Å; F324-D326 PolarHBondContact O-N 3.48Å; D326-K328 PolarHBondContact O-N 3.48Å
327L98.5Very high96.4Very high5 Ų546.4 Ų46.43%0.02625%0.25CS..  trans-49.5135.2175.9-78.1169.4000111.9F277 A291 R309 F312 W323 F324F277-L327 HydrophobicContact CE1-CD1 3.74Å; F277-L327 HydrophobicContact CZ-CD1 3.88Å; F277-L327 HydrophobicContact CZ-CD2 4.21Å; A291-L327 HydrophobicContact CB-CD2 4.16Å; A291-L327 WeakPolarHBondContact O-CD2 3.38Å; R309-L327 PolarHBondContact NH1-O 3.04Å; R309-L327 PolarHBondContact NH2-O 3.07Å; R309-L327 VanDerWaalsContact NH2-O 3.16Å; F312-L327 HydrophobicContact CD1-CD1 4.28Å; F312-L327 HydrophobicContact CD2-CB 3.67Å; F312-L327 HydrophobicContact CD2-CD1 4.36Å; F312-L327 HydrophobicContact CE1-CD1 4.29Å; F312-L327 HydrophobicContact CE2-CB 3.59Å; F312-L327 HydrophobicContact CE2-CD1 4.35Å; F312-L327 HydrophobicContact CG-CB 4.39Å; F312-L327 HydrophobicContact CG-CD1 4.32Å; F312-L327 HydrophobicContact CZ-CB 4.26Å; F312-L327 HydrophobicContact CZ-CD1 4.31Å; W323-L327 HydrophobicContact CE3-CD2 4.34Å; W323-L327 HydrophobicContact CZ3-CD2 3.87Å; W323-L327 HydrophobicContact CZ3-CG 4.39Å; F324-L327 HydrophobicContact CD1-CD1 3.61Å; F324-L327 HydrophobicContact CD2-CD1 4.19Å; F324-L327 HydrophobicContact CE1-CD1 3.7Å; F324-L327 HydrophobicContact CE2-CD1 4.27Å; F324-L327 HydrophobicContact CG-CD1 3.88Å; F324-L327 HydrophobicContact CZ-CD1 4.05Å; F324-L327 VanDerWaalsContact O-CD1 3.27Å; F324-L327 WeakPolarHBondContact O-CD1 3.48Å; F324-L327 VanDerWaalsContact O-CG 3.27Å; F324-L327 WeakPolarHBondContact O-CG 3.4Å; F324-L327 PolarHBondContact O-N 3.48Å
328K98.3Very high96.2Very high85 Ų8547.9 Ų47.937%0.3725%0.25SS..EExtended strand (participates in β ladder)trans-74.4131.6-172.3-61.3-52.6-177.3-165.70112.4I292 G293 I294 D326 D351I292-K328 HydrophobicContact CG2-CG 4.46Å; I292-K328 WeakPolarHBondContact O-CB 2.92Å; I292-K328 PolarHBondContact O-N 2.84Å; G293-K328 CarbonylContact C-O 3.43Å; G293-K328 WeakPolarHBondContact CA-O 3.03Å; I294-K328 PolarHBondContact N-O 3.2Å; D326-K328 PolarHBondContact O-N 3.48Å; K328-D351 WeakPolarHBondContact CA-OD2 3.24Å; K328-D351 HydrophobicContact CD-CB 4Å; K328-D351 IonicContact NZ-OD1 3.31Å
329I98.7Very high96.2Very high0 Ų045.4 Ų45.40%024%0.242CC..EExtended strand (participates in β ladder)trans-100.2109.2172-64.4177000107.8I294 L296 S305 V308 R309 F312 E349 I350 D351 N352I294-I329 HydrophobicContact CD1-CB 4.31Å; I294-I329 HydrophobicContact CD1-CG1 4.14Å; I294-I329 HydrophobicContact CD1-CG2 3.95Å; I294-I329 HydrophobicContact CG1-CG1 4.26Å; L296-I329 HydrophobicContact CD1-CG2 4.25Å; S305-I329 WeakPolarHBondContact O-CD1 3.41Å; V308-I329 HydrophobicContact CB-CD1 4.29Å; V308-I329 HydrophobicContact CG1-CD1 4Å; V308-I329 HydrophobicContact CG1-CG1 4.33Å; R309-I329 HydrophobicContact CB-CD1 3.98Å; F312-I329 HydrophobicContact CE2-CD1 4.46Å; F312-I329 HydrophobicContact CE2-CG1 4.1Å; I329-E349 WeakPolarHBondContact CB-O 3.06Å; I329-E349 HydrophobicContact CD1-CB 4.38Å; I329-E349 WeakPolarHBondContact CD1-O 3.36Å; I329-I350 HydrophobicContact CG2-CB 4.49Å; I329-I350 HydrophobicContact CG2-CG1 4.22Å; I329-I350 WeakPolarHBondContact O-CG2 3.34Å; I329-D351 PolarHBondContact N-OD2 2.92Å; I329-D351 PolarHBondContact O-N 2.8Å; I329-N352 PolarHBondContact O-N 2.88Å
330N98.5Very high96.1Very high4 Ų444 Ų442%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-96.3137.6175.3-50.6-84.3000108.9F185 I294 R295 L296 N352F185-N330 HydrophobicContact CZ-CB 4.37Å; F185-N330 VanDerWaalsContact CZ-OD1 3.25Å; F185-N330 WeakPolarHBondContact CZ-OD1 3.14Å; I294-N330 VanDerWaalsContact O-CB 3.3Å; I294-N330 WeakPolarHBondContact O-CB 3.22Å; I294-N330 PolarHBondContact O-N 3.45Å; I294-N330 PolarHBondContact O-ND2 3.06Å; R295-N330 CarbonylContact C-O 3.4Å; R295-N330 VanDerWaalsContact CA-O 3.27Å; R295-N330 WeakPolarHBondContact CA-O 3.41Å; R295-N330 HydrophobicContact CB-CB 4.38Å; L296-N330 PolarHBondContact N-O 2.64Å; N330-N352 CarbonylContact C-O 3.25Å; N330-N352 WeakPolarHBondContact CA-O 3.3Å; N330-N352 HydrophobicContact CB-CB 4.35Å; N330-N352 WeakPolarHBondContact OD1-CB 3.32Å; N330-N352 PolarHBondContact OD1-ND2 2.94Å
331A98Very high96.1Very high1 Ų141.1 Ų41.11%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-125.5136.3175.200000111.4L296 L301 L335 I350 N352 Y353 G354L296-A331 WeakPolarHBondContact O-CA 3.47Å; L301-A331 HydrophobicContact CD1-CB 4.23Å; L301-A331 HydrophobicContact CD2-CB 4.4Å; A331-L335 HydrophobicContact CB-CD1 4.38Å; A331-I350 HydrophobicContact CB-CD1 3.78Å; A331-I350 HydrophobicContact CB-CG1 4.14Å; A331-I350 HydrophobicContact CB-CG2 3.64Å; A331-N352 PolarHBondContact N-O 2.91Å; A331-Y353 HydrophobicContact CB-CD1 4.32Å; A331-Y353 CarbonylContact O-C 3.57Å; A331-Y353 WeakPolarHBondContact O-CA 3.47Å; A331-G354 PolarHBondContact O-N 2.71Å
332S95.6Very high96.1Very high8 Ų841.6 Ų41.66%0.05623%0.225CC..  trans-136146.716551.30000106.9R295 L296 D297 G354R295-S332 VanDerWaalsContact CZ-OG 3.29Å; R295-S332 PolarHBondContact NE-OG 3.08Å; R295-S332 PolarHBondContact NH2-OG 3.31Å; L296-S332 PolarHBondContact O-N 3.35Å; D297-S332 CarbonylContact C-O 3.57Å; D297-S332 VanDerWaalsContact C-O 3.31Å; D297-S332 WeakPolarHBondContact CA-O 3.41Å; D297-S332 WeakPolarHBondContact OD1-CB 3.32Å; D297-S332 PolarHBondContact OD1-OG 2.81Å; S332-G354 WeakPolarHBondContact CB-O 3.32Å
333N93.3Very high96.2Very high70 Ų7037.3 Ų37.337%0.37420%0.196SC..SBendtrans171.969172.2-172.97.8000107.6D297 L301 L335D297-N333 VanDerWaalsContact O-CB 3.3Å; D297-N333 WeakPolarHBondContact O-CB 3.28Å; D297-N333 VanDerWaalsContact O-CG 3.3Å; L301-N333 HydrophobicContact CD1-CB 4.09Å; N333-L335 PolarHBondContact O-N 2.84Å; N333-L335 VanDerWaalsContact O-N 3.07Å
334D92.2Very high96.1Very high97 Ų9738.6 Ų38.652%0.51921%0.206SC..SBendtrans43.748.4-174.4-75.2-44.1000113.6T357 H358D334-T357 PolarHBondContact OD1-OG1 3.42Å; D334-T357 VanDerWaalsContact OD1-OG1 3.11Å; D334-H358 PolarHBondContact O-CD2 2.9Å; D334-H358 PolarHBondContact O-NE2 3.22Å; D334-H358 VanDerWaalsContact O-NE2 3.14Å
335L95.9Very high96Very high6 Ų643.3 Ų43.33%0.03124%0.239CC..  trans-73148.3-177.1-64.1175000112L301 A331 N333 T339 L343 Y353 I355 H358L301-L335 HydrophobicContact CD1-CD2 3.81Å; A331-L335 HydrophobicContact CB-CD1 4.38Å; N333-L335 PolarHBondContact O-N 2.84Å; N333-L335 VanDerWaalsContact O-N 3.07Å; L335-T339 WeakPolarHBondContact CA-OG1 3.36Å; L335-L343 HydrophobicContact CD2-CD1 4.3Å; L335-Y353 HydrophobicContact CD1-CD1 3.59Å; L335-Y353 HydrophobicContact CD1-CE1 4.39Å; L335-Y353 HydrophobicContact CD1-CG 4.4Å; L335-I355 HydrophobicContact CB-CD1 3.42Å; L335-I355 VanDerWaalsContact CB-CD1 3.42Å; L335-I355 HydrophobicContact CD1-CD1 4.09Å; L335-I355 HydrophobicContact CG-CD1 4.41Å; L335-I355 WeakPolarHBondContact O-CG2 3.35Å; L335-H358 PolarHBondContact O-CD2 3.3Å
336N95.1Very high95.9Very high23 Ų2347.3 Ų47.312%0.12326%0.255CS..  trans-149.6-179.1176.960.556.7000110.2K338 T339 I340 H358N336-K338 VanDerWaalsContact C-N 3.26Å; N336-K338 PolarHBondContact O-N 3.48Å; N336-K338 WeakPolarHBondContact OD1-CA 3.45Å; N336-K338 WeakPolarHBondContact OD1-CB 3.45Å; N336-K338 PolarHBondContact OD1-N 2.88Å; N336-T339 PolarHBondContact N-OG1 2.66Å; N336-T339 PolarHBondContact O-N 3.45Å; N336-T339 PolarHBondContact O-OG1 2.84Å; N336-T339 VanDerWaalsContact O-OG1 3.09Å; N336-T339 PolarHBondContact OD1-N 2.88Å; N336-I340 WeakPolarHBondContact O-CB 3.47Å; N336-I340 WeakPolarHBondContact O-CD1 3.4Å; N336-I340 VanDerWaalsContact O-CG1 3.24Å; N336-I340 WeakPolarHBondContact O-CG1 3.48Å; N336-I340 PolarHBondContact O-N 3.23Å; N336-H358 HydrophobicContact CB-CB 3.9Å; N336-H358 PolarHBondContact ND2-NE2 2.88Å
337E94.3Very high95.8Very high16 Ų1643.2 Ų43.28%0.07524%0.24CC..Hα-helixtrans-61.2-35.5-176.6-52.797.1140.900112.7K128 R131 I132 A135 S341K128-E337 VanDerWaalsContact CD-OE1 3.29Å; K128-E337 WeakPolarHBondContact CD-OE1 3.44Å; K128-E337 VanDerWaalsContact CE-OE1 3.23Å; K128-E337 WeakPolarHBondContact CE-OE1 3.44Å; K128-E337 WeakPolarHBondContact CE-OE2 3.15Å; K128-E337 IonicContact NZ-OE1 2.7Å; K128-E337 PolarHBondContact NZ-OE1 2.91Å; K128-E337 IonicContact NZ-OE2 2.93Å; K128-E337 PolarHBondContact NZ-OE2 2.99Å; R131-E337 HydrophobicContact CB-CG 4Å; R131-E337 WeakPolarHBondContact CB-OE1 3.43Å; R131-E337 IonicContact NE-OE1 2.75Å; I132-E337 HydrophobicContact CB-CG 4.42Å; I132-E337 HydrophobicContact CG1-CG 3.74Å; A135-E337 HydrophobicContact CB-CB 3.93Å; A135-E337 HydrophobicContact CB-CG 4.39Å; E337-S341 VanDerWaalsContact O-CB 3.32Å; E337-S341 WeakPolarHBondContact O-CB 3.33Å; E337-S341 PolarHBondContact O-N 3.04Å; E337-S341 PolarHBondContact O-OG 3.06Å
338K93.9Very high95.8Very high158 Ų15845 Ų4569%0.68725%0.248SC*.Hα-helixtrans-70.5-46-178.7-65.2-176.9178.5-179.90110.5N336 S341 S342N336-K338 VanDerWaalsContact C-N 3.26Å; N336-K338 PolarHBondContact O-N 3.48Å; N336-K338 WeakPolarHBondContact OD1-CA 3.45Å; N336-K338 WeakPolarHBondContact OD1-CB 3.45Å; N336-K338 PolarHBondContact OD1-N 2.88Å; K338-S341 PolarHBondContact O-N 3.47Å; K338-S342 PolarHBondContact O-N 3.22Å
339T95.3Very high95.8Very high50 Ų5043.9 Ų43.931%0.30724%0.244SC..Hα-helixtrans-66.1-41.9179.160.20000111.2L335 N336 S341 S342 L343L335-T339 WeakPolarHBondContact CA-OG1 3.36Å; N336-T339 PolarHBondContact N-OG1 2.66Å; N336-T339 PolarHBondContact O-N 3.45Å; N336-T339 PolarHBondContact O-OG1 2.84Å; N336-T339 VanDerWaalsContact O-OG1 3.09Å; N336-T339 PolarHBondContact OD1-N 2.88Å; T339-S341 PolarHBondContact O-N 3.13Å; T339-S342 WeakPolarHBondContact O-CB 3.33Å; T339-S342 PolarHBondContact O-N 3.12Å; T339-L343 WeakPolarHBondContact O-CG 3.32Å; T339-L343 PolarHBondContact O-N 2.88Å
340I96.7Very high95.8Very high0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-62.4-42.1174.6-65.8166.3000111.3I132 A135 A136 N336 S342 L343 N344 Y353 I355I132-I340 HydrophobicContact CG2-CD1 3.84Å; A135-I340 HydrophobicContact CB-CB 4.28Å; A135-I340 HydrophobicContact CB-CG2 4.06Å; A136-I340 HydrophobicContact CB-CG2 4.08Å; N336-I340 WeakPolarHBondContact O-CB 3.47Å; N336-I340 WeakPolarHBondContact O-CD1 3.4Å; N336-I340 VanDerWaalsContact O-CG1 3.24Å; N336-I340 WeakPolarHBondContact O-CG1 3.48Å; N336-I340 PolarHBondContact O-N 3.23Å; I340-S342 VanDerWaalsContact C-N 3.29Å; I340-S342 PolarHBondContact O-N 3.33Å; I340-L343 WeakPolarHBondContact O-CB 3.31Å; I340-L343 PolarHBondContact O-N 3.31Å; I340-N344 VanDerWaalsContact O-CG 3.31Å; I340-N344 PolarHBondContact O-N 2.96Å; I340-N344 PolarHBondContact O-OD1 3.08Å; I340-Y353 HydrophobicContact CG1-CE1 4.47Å; I340-Y353 HydrophobicContact CG2-CE2 4.39Å; I340-I355 HydrophobicContact CD1-CD1 4.04Å
341S94.8Very high95.8Very high36 Ų3646.3 Ų46.325%0.25226%0.257SS..Hα-helixtrans-62.2-39.6175.6-570000112.3E337 K338 T339 N344 S345 R503E337-S341 VanDerWaalsContact O-CB 3.32Å; E337-S341 WeakPolarHBondContact O-CB 3.33Å; E337-S341 PolarHBondContact O-N 3.04Å; E337-S341 PolarHBondContact O-OG 3.06Å; K338-S341 PolarHBondContact O-N 3.47Å; T339-S341 PolarHBondContact O-N 3.13Å; S341-N344 PolarHBondContact O-N 3.23Å; S341-S345 PolarHBondContact O-N 3Å; S341-S345 VanDerWaalsContact O-N 3.08Å; S341-R503 PolarHBondContact OG-NH1 3.28Å
342S95.7Very high95.8Very high51 Ų5147.5 Ų47.536%0.35726%0.264SS..Hα-helixtrans-63.3-46.6176-171.50000110.9K338 T339 I340 N344 S345 Q346K338-S342 PolarHBondContact O-N 3.22Å; T339-S342 WeakPolarHBondContact O-CB 3.33Å; T339-S342 PolarHBondContact O-N 3.12Å; I340-S342 VanDerWaalsContact C-N 3.29Å; I340-S342 PolarHBondContact O-N 3.33Å; S342-N344 VanDerWaalsContact C-N 3.34Å; S342-N344 PolarHBondContact O-N 3.25Å; S342-S345 PolarHBondContact O-N 2.99Å; S342-S345 VanDerWaalsContact O-N 3.12Å; S342-S345 PolarHBondContact O-OG 2.87Å; S342-Q346 WeakPolarHBondContact O-CG 3.36Å; S342-Q346 PolarHBondContact O-N 3.25Å; S342-Q346 VanDerWaalsContact O-N 3.11Å; S342-Q346 PolarHBondContact OG-NE2 3.01Å
343L97Very high95.9Very high13 Ų1347.2 Ų47.27%0.06826%0.261CS..Hα-helixtrans-54.4-49.9174.3-70.2170.9000111.2L301 L335 T339 I340 S345 Q346 G347 H348 I350 Y353L301-L343 HydrophobicContact CB-CD2 4.07Å; L335-L343 HydrophobicContact CD2-CD1 4.3Å; T339-L343 WeakPolarHBondContact O-CG 3.32Å; T339-L343 PolarHBondContact O-N 2.88Å; I340-L343 WeakPolarHBondContact O-CB 3.31Å; I340-L343 PolarHBondContact O-N 3.31Å; L343-S345 VanDerWaalsContact C-N 3.28Å; L343-S345 PolarHBondContact O-N 3.26Å; L343-Q346 PolarHBondContact O-N 3.47Å; L343-Q346 VanDerWaalsContact O-N 3.15Å; L343-G347 PolarHBondContact O-N 2.79Å; L343-G347 VanDerWaalsContact O-N 3.07Å; L343-H348 VanDerWaalsContact C-CD2 3.46Å; L343-H348 PolarHBondContact O-CD2 3.21Å; L343-I350 HydrophobicContact CD1-CD1 4.02Å; L343-Y353 HydrophobicContact CD1-CE1 4Å
344N95.6Very high96.1Very high63 Ų6344.1 Ų44.134%0.33725%0.246SC..Hα-helixtrans-58.4-40178.7-67.1-11000112.4A135 I340 S341 S342 Q346 G347 H348A135-N344 PolarHBondContact O-ND2 2.85Å; I340-N344 VanDerWaalsContact O-CG 3.31Å; I340-N344 PolarHBondContact O-N 2.96Å; I340-N344 PolarHBondContact O-OD1 3.08Å; S341-N344 PolarHBondContact O-N 3.23Å; S342-N344 VanDerWaalsContact C-N 3.34Å; S342-N344 PolarHBondContact O-N 3.25Å; N344-Q346 VanDerWaalsContact C-N 3.33Å; N344-Q346 PolarHBondContact O-N 3.12Å; N344-G347 PolarHBondContact O-N 3.09Å; N344-H348 PolarHBondContact OD1-NE2 3.41Å
345S95.3Very high96.4Very high98 Ų9839.5 Ų39.569%0.68522%0.221SC*.Hα-helixtrans-69.1-29.4179.870.40000113.7S341 S342 L343 G347S341-S345 PolarHBondContact O-N 3Å; S341-S345 VanDerWaalsContact O-N 3.08Å; S342-S345 PolarHBondContact O-N 2.99Å; S342-S345 VanDerWaalsContact O-N 3.12Å; S342-S345 PolarHBondContact O-OG 2.87Å; L343-S345 VanDerWaalsContact C-N 3.28Å; L343-S345 PolarHBondContact O-N 3.26Å; S345-G347 VanDerWaalsContact C-N 3.34Å
346Q94.6Very high96.3Very high94 Ų9439.9 Ų39.944%0.43923%0.227SC..Hα-helixtrans-84.1-13.9176.6-63.2172.643.100112.6K306 S342 L343 N344K306-Q346 PolarHBondContact NZ-O 3.37Å; S342-Q346 WeakPolarHBondContact O-CG 3.36Å; S342-Q346 PolarHBondContact O-N 3.25Å; S342-Q346 VanDerWaalsContact O-N 3.11Å; S342-Q346 PolarHBondContact OG-NE2 3.01Å; L343-Q346 PolarHBondContact O-N 3.47Å; L343-Q346 VanDerWaalsContact O-N 3.15Å; N344-Q346 VanDerWaalsContact C-N 3.33Å; N344-Q346 PolarHBondContact O-N 3.12Å
347G94.9Very high96.3Very high30 Ų3040.5 Ų40.531%0.30923%0.231SC..  trans68.7144.8-163.400000111.6S302 K306 L343 N344 S345S302-G347 PolarHBondContact OG-O 2.9Å; K306-G347 VanDerWaalsContact CE-C 3.46Å; K306-G347 WeakPolarHBondContact CE-O 3.43Å; K306-G347 PolarHBondContact NZ-O 3.01Å; L343-G347 PolarHBondContact O-N 2.79Å; L343-G347 VanDerWaalsContact O-N 3.07Å; N344-G347 PolarHBondContact O-N 3.09Å; S345-G347 VanDerWaalsContact C-N 3.34Å
348H97.6Very high96.3Very high43 Ų4341.4 Ų41.420%0.19924%0.236CC..  trans-157.6172.317863.789.9000108.5L343 N344 I350 Y353L343-H348 VanDerWaalsContact C-CD2 3.46Å; L343-H348 PolarHBondContact O-CD2 3.21Å; N344-H348 PolarHBondContact OD1-NE2 3.41Å; H348-I350 HydrophobicContact CB-CD1 4.32Å; H348-I350 HydrophobicContact CB-CG1 4.39Å; H348-I350 VanDerWaalsContact ND1-CB 3.33Å; H348-I350 WeakPolarHBondContact ND1-CB 3.27Å; H348-I350 PolarHBondContact ND1-N 3.45Å; H348-I350 VanDerWaalsContact ND1-N 3.16Å; H348-Y353 PolarHBondContact CE1-OH 3.05Å; H348-Y353 PolarHBondContact NE2-OH 3.3Å
349E98Very high96.5Very high61 Ų6133.9 Ų33.929%0.28520%0.203SC..  trans-119.626.8-179.1-70.3-87.3-15800111.7S305 K306 R309 R313 I329S305-E349 PolarHBondContact OG-N 2.73Å; S305-E349 VanDerWaalsContact OG-N 3.11Å; K306-E349 HydrophobicContact CG-CG 4.12Å; R309-E349 HydrophobicContact CB-CB 3.77Å; R309-E349 HydrophobicContact CB-CG 3.88Å; R309-E349 HydrophobicContact CG-CB 4.14Å; R309-E349 HydrophobicContact CG-CG 3.97Å; R309-E349 IonicContact NE-OE2 2.84Å; R309-E349 PolarHBondContact NH2-O 3.22Å; R313-E349 IonicContact CZ-OE1 3.72Å; R313-E349 IonicContact NH1-OE1 3.03Å; R313-E349 PolarHBondContact NH1-OE1 3.04Å; R313-E349 VanDerWaalsContact NH1-OE1 3.1Å; R313-E349 IonicContact NH2-OE1 2.88Å; R313-E349 PolarHBondContact NH2-OE1 3.04Å; R313-E349 IonicContact NH2-OE2 3.33Å; R313-E349 PolarHBondContact NH2-OE2 3.19Å; I329-E349 WeakPolarHBondContact CB-O 3.06Å; I329-E349 HydrophobicContact CD1-CB 4.38Å; I329-E349 WeakPolarHBondContact CD1-O 3.36Å
350I98.4Very high96.5Very high13 Ų1331.5 Ų31.57%0.06719%0.188CC..  trans-81.9127.4-179.7-54.9162.8000109.6L301 I329 A331 L343 H348 N352 Y353L301-I350 HydrophobicContact CB-CD1 4.11Å; I329-I350 HydrophobicContact CG2-CB 4.49Å; I329-I350 HydrophobicContact CG2-CG1 4.22Å; I329-I350 WeakPolarHBondContact O-CG2 3.34Å; A331-I350 HydrophobicContact CB-CD1 3.78Å; A331-I350 HydrophobicContact CB-CG1 4.14Å; A331-I350 HydrophobicContact CB-CG2 3.64Å; L343-I350 HydrophobicContact CD1-CD1 4.02Å; H348-I350 HydrophobicContact CB-CD1 4.32Å; H348-I350 HydrophobicContact CB-CG1 4.39Å; H348-I350 VanDerWaalsContact ND1-CB 3.33Å; H348-I350 WeakPolarHBondContact ND1-CB 3.27Å; H348-I350 PolarHBondContact ND1-N 3.45Å; H348-I350 VanDerWaalsContact ND1-N 3.16Å; I350-N352 VanDerWaalsContact CG2-O 3.25Å; I350-N352 WeakPolarHBondContact CG2-O 3.36Å; I350-Y353 HydrophobicContact CB-CE1 4.18Å; I350-Y353 HydrophobicContact CD1-CE1 3.97Å; I350-Y353 HydrophobicContact CG2-CD1 3.95Å; I350-Y353 HydrophobicContact CG2-CE1 3.67Å
351D98.3Very high96.3Very high42 Ų4232.4 Ų32.423%0.22519%0.194CC..  trans-88.1-39.4177.1-64.5-84.8000112.2A140 G141 R309 K328 I329A140-D351 CarbonylContact C-O 3.5Å; A140-D351 VanDerWaalsContact CA-O 3.24Å; A140-D351 WeakPolarHBondContact CA-O 3.13Å; G141-D351 PolarHBondContact N-O 2.95Å; R309-D351 IonicContact NH2-OD2 3.55Å; R309-D351 PolarHBondContact NH2-OD2 2.9Å; K328-D351 WeakPolarHBondContact CA-OD2 3.24Å; K328-D351 HydrophobicContact CD-CB 4Å; K328-D351 IonicContact NZ-OD1 3.31Å; I329-D351 PolarHBondContact N-OD2 2.92Å; I329-D351 PolarHBondContact O-N 2.8Å
352N98.4Very high96.2Very high26 Ų2630.7 Ų30.714%0.13918%0.182CC..EExtended strand (participates in β ladder)trans-136.1144.3-167.3-63.9-35.3000111.8G141 F143 I329 N330 A331 I350G141-N352 VanDerWaalsContact CA-OD1 3.24Å; G141-N352 WeakPolarHBondContact CA-OD1 3.17Å; G141-N352 PolarHBondContact N-OD1 3.04Å; G141-N352 CarbonylContact O-C 3.31Å; G141-N352 VanDerWaalsContact O-CA 3.32Å; G141-N352 WeakPolarHBondContact O-CA 3.42Å; F143-N352 HydrophobicContact CD2-CB 4.24Å; F143-N352 HydrophobicContact CE2-CB 3.81Å; I329-N352 PolarHBondContact O-N 2.88Å; N330-N352 CarbonylContact C-O 3.25Å; N330-N352 WeakPolarHBondContact CA-O 3.3Å; N330-N352 HydrophobicContact CB-CB 4.35Å; N330-N352 WeakPolarHBondContact OD1-CB 3.32Å; N330-N352 PolarHBondContact OD1-ND2 2.94Å; A331-N352 PolarHBondContact N-O 2.91Å; I350-N352 VanDerWaalsContact CG2-O 3.25Å; I350-N352 WeakPolarHBondContact CG2-O 3.36Å
353Y98.4Very high95.8Very high1 Ų133.8 Ų33.80%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-119.6124.2177.2-56-78.8000112.3A136 A140 G141 L142 F143 A331 L335 I340 L343 H348 I350A136-Y353 HydrophobicContact CB-CD2 4.04Å; A136-Y353 HydrophobicContact CB-CE2 4.03Å; A140-Y353 HydrophobicContact CB-CD2 4.07Å; A140-Y353 HydrophobicContact CB-CE2 3.89Å; G141-Y353 PolarHBondContact O-N 2.85Å; L142-Y353 HydrophobicContact CD2-CD2 3.94Å; L142-Y353 HydrophobicContact CD2-CG 4.34Å; F143-Y353 PolarHBondContact N-O 3.28Å; A331-Y353 HydrophobicContact CB-CD1 4.32Å; A331-Y353 CarbonylContact O-C 3.57Å; A331-Y353 WeakPolarHBondContact O-CA 3.47Å; L335-Y353 HydrophobicContact CD1-CD1 3.59Å; L335-Y353 HydrophobicContact CD1-CE1 4.39Å; L335-Y353 HydrophobicContact CD1-CG 4.4Å; I340-Y353 HydrophobicContact CG1-CE1 4.47Å; I340-Y353 HydrophobicContact CG2-CE2 4.39Å; L343-Y353 HydrophobicContact CD1-CE1 4Å; H348-Y353 PolarHBondContact CE1-OH 3.05Å; H348-Y353 PolarHBondContact NE2-OH 3.3Å; I350-Y353 HydrophobicContact CB-CE1 4.18Å; I350-Y353 HydrophobicContact CD1-CE1 3.97Å; I350-Y353 HydrophobicContact CG2-CD1 3.95Å; I350-Y353 HydrophobicContact CG2-CE1 3.67Å
354G97.6Very high95.3Very high5 Ų536.8 Ų36.85%0.05220%0.204CC..EExtended strand (participates in β ladder)trans-88.8111.5166.700000110.5A331 S332A331-G354 PolarHBondContact O-N 2.71Å; S332-G354 WeakPolarHBondContact CB-O 3.32Å
355I97.5Very high95.2Very high0 Ų036.2 Ų36.20%020%0.199CC..EExtended strand (participates in β ladder)trans-111.7124.5-176.9-44.2-62.6000110.1I132 F143 M145 F168 L335 I340 L359I132-I355 HydrophobicContact CD1-CG2 4.15Å; I132-I355 HydrophobicContact CG2-CG1 4.26Å; F143-I355 PolarHBondContact O-N 2.8Å; M145-I355 PolarHBondContact N-O 3.09Å; F168-I355 HydrophobicContact CE1-CB 3.81Å; F168-I355 HydrophobicContact CE1-CG1 3.86Å; F168-I355 HydrophobicContact CZ-CB 3.84Å; F168-I355 HydrophobicContact CZ-CG1 3.73Å; F168-I355 HydrophobicContact CZ-CG2 4.45Å; L335-I355 HydrophobicContact CB-CD1 3.42Å; L335-I355 VanDerWaalsContact CB-CD1 3.42Å; L335-I355 HydrophobicContact CD1-CD1 4.09Å; L335-I355 HydrophobicContact CG-CD1 4.41Å; L335-I355 WeakPolarHBondContact O-CG2 3.35Å; I340-I355 HydrophobicContact CD1-CD1 4.04Å; I355-L359 HydrophobicContact CG2-CB 3.83Å
356G95.3Very high95Very high15 Ų1535.6 Ų35.616%0.15519%0.193CC..  trans-111.9-103.2-178.600000113.2H358 L359 V360G356-H358 PolarHBondContact O-N 2.87Å; G356-L359 PolarHBondContact O-N 3.04Å; G356-L359 VanDerWaalsContact O-N 3.12Å; G356-V360 PolarHBondContact O-N 3.26Å
357T95Very high94.8Very high35 Ų3533.9 Ų33.922%0.21520%0.195CC..Hα-helixtrans-50-51.4-166.7-44.90000113.4R149 D334 L359 V360 T361R149-T357 HydrophobicContact CB-CG2 4.43Å; R149-T357 HydrophobicContact CG-CG2 4.46Å; D334-T357 PolarHBondContact OD1-OG1 3.42Å; D334-T357 VanDerWaalsContact OD1-OG1 3.11Å; T357-L359 PolarHBondContact O-N 2.99Å; T357-V360 PolarHBondContact O-N 2.88Å; T357-T361 HydrophobicContact CG2-CG2 4.19Å; T357-T361 WeakPolarHBondContact O-CB 3.2Å; T357-T361 WeakPolarHBondContact O-CG2 3.19Å; T357-T361 PolarHBondContact O-N 3.22Å; T357-T361 VanDerWaalsContact O-N 3.1Å; T357-T361 PolarHBondContact O-OG1 3.31Å
358H94.8Very high94.8Very high36 Ų3632.7 Ų32.717%0.16718%0.181CC..Hα-helixtrans-64.7-25.1-174.5-71.4-70.6000114.4K128 D334 L335 N336 G356 Q363K128-H358 WeakPolarHBondContact CE-O 3.37Å; D334-H358 PolarHBondContact O-CD2 2.9Å; D334-H358 PolarHBondContact O-NE2 3.22Å; D334-H358 VanDerWaalsContact O-NE2 3.14Å; L335-H358 PolarHBondContact O-CD2 3.3Å; N336-H358 HydrophobicContact CB-CB 3.9Å; N336-H358 PolarHBondContact ND2-NE2 2.88Å; G356-H358 PolarHBondContact O-N 2.87Å; H358-Q363 PolarHBondContact CE1-OE1 2.85Å; H358-Q363 PolarHBondContact ND1-OE1 3.19Å
359L96.3Very high94.6Very high0 Ų032.5 Ų32.50%019%0.191CC..Hα-helixtrans-79.7-60.1177.2170.266.8000110.3V125 K128 A129 I132 E144 A163 F168 I355 G356 T357 T361 C362V125-L359 HydrophobicContact CG1-CD1 4.3Å; K128-L359 HydrophobicContact CB-CD1 4.42Å; K128-L359 HydrophobicContact CG-CD1 4.2Å; A129-L359 HydrophobicContact CB-CD1 3.92Å; I132-L359 HydrophobicContact CD1-CB 4.21Å; I132-L359 HydrophobicContact CD1-CD1 4.02Å; E144-L359 HydrophobicContact CB-CD2 4.09Å; E144-L359 HydrophobicContact CG-CD2 3.69Å; A163-L359 HydrophobicContact CB-CD1 4.23Å; A163-L359 HydrophobicContact CB-CD2 3.83Å; A163-L359 HydrophobicContact CB-CG 4.34Å; F168-L359 HydrophobicContact CD1-CD2 4.08Å; F168-L359 HydrophobicContact CE1-CD2 3.5Å; F168-L359 HydrophobicContact CE2-CD1 4.24Å; F168-L359 HydrophobicContact CE2-CD2 4.16Å; F168-L359 HydrophobicContact CZ-CD1 4.27Å; F168-L359 HydrophobicContact CZ-CD2 3.54Å; F168-L359 HydrophobicContact CZ-CG 4.43Å; I355-L359 HydrophobicContact CG2-CB 3.83Å; G356-L359 PolarHBondContact O-N 3.04Å; G356-L359 VanDerWaalsContact O-N 3.12Å; T357-L359 PolarHBondContact O-N 2.99Å; L359-T361 VanDerWaalsContact C-N 3.32Å; L359-T361 PolarHBondContact O-N 2.95Å; L359-C362 PolarHBondContact O-N 2.71Å; L359-C362 PolarHBondContact O-SG 3.33Å
360V95.8Very high94.6Very high0 Ų030.1 Ų30.10%018%0.181CC..Hα-helixtrans-75-21-168.5-55.20000113.8F121 E144 G146 R149 A150 A159 G356 T357F121-V360 WeakPolarHBondContact CE2-O 3.19Å; E144-V360 HydrophobicContact CG-CG1 4.23Å; G146-V360 WeakPolarHBondContact O-CG2 3.25Å; R149-V360 HydrophobicContact CB-CG2 4.18Å; A150-V360 HydrophobicContact CB-CB 4.13Å; A150-V360 HydrophobicContact CB-CG2 4.15Å; A159-V360 HydrophobicContact CB-CB 3.87Å; A159-V360 HydrophobicContact CB-CG1 3.73Å; G356-V360 PolarHBondContact O-N 3.26Å; T357-V360 PolarHBondContact O-N 2.88Å
361T94.1Very high94.5Very high18 Ų1830.3 Ų30.311%0.1118%0.183CC..THydrogen-bonded Turntrans-96-13174.765.80000112.7R149 T357 L359 Q363R149-T361 WeakPolarHBondContact O-CG2 3.32Å; T357-T361 HydrophobicContact CG2-CG2 4.19Å; T357-T361 WeakPolarHBondContact O-CB 3.2Å; T357-T361 WeakPolarHBondContact O-CG2 3.19Å; T357-T361 PolarHBondContact O-N 3.22Å; T357-T361 VanDerWaalsContact O-N 3.1Å; T357-T361 PolarHBondContact O-OG1 3.31Å; L359-T361 VanDerWaalsContact C-N 3.32Å; L359-T361 PolarHBondContact O-N 2.95Å; T361-Q363 PolarHBondContact O-N 2.88Å; T361-Q363 PolarHBondContact OG1-N 3.12Å
362C91.7Very high94.5Very high0 Ų028.4 Ų28.40%017%0.173CC..  trans49.140.4-172.8-69.50000112.9F28 L124 L359 Q364 Q365F28-C362 HydrophobicContact CE1-CB 4.08Å; F28-C362 HydrophobicContact CZ-CB 3.94Å; L124-C362 HydrophobicContact CD2-CB 3.48Å; L124-C362 VanDerWaalsContact CD2-CB 3.48Å; L124-C362 HydrophobicContact CG-CB 3.73Å; L359-C362 PolarHBondContact O-N 2.71Å; L359-C362 PolarHBondContact O-SG 3.33Å; C362-Q364 VanDerWaalsContact C-N 3.25Å; C362-Q364 PolarHBondContact O-N 3.47Å; C362-Q365 CarbonylContact O-C 3.47Å; C362-Q365 PolarHBondContact O-N 3.26Å; C362-Q365 VanDerWaalsContact O-O 3.05Å
363Q87.4Confident94.5Very high117 Ų11729.5 Ų29.555%0.54718%0.176SC..THydrogen-bonded Turntrans-44-36.9-164.3-167.7-178.715.500116.8H358 T361 Q365H358-Q363 PolarHBondContact CE1-OE1 2.85Å; H358-Q363 PolarHBondContact ND1-OE1 3.19Å; T361-Q363 PolarHBondContact O-N 2.88Å; T361-Q363 PolarHBondContact OG1-N 3.12Å; Q363-Q365 VanDerWaalsContact C-N 3.25Å; Q363-Q365 PolarHBondContact O-N 2.84Å
364Q86.7Confident94.4Very high76 Ų7631.8 Ų31.836%0.35519%0.188SC..THydrogen-bonded Turntrans-63.5-32.1178.4-177.2-179.71.700112.5F28 E29 C362F28-Q364 HydrophobicContact CD1-CB 4.06Å; F28-Q364 HydrophobicContact CD1-CG 4.43Å; E29-Q364 PolarHBondContact OE1-NE2 3.47Å; C362-Q364 VanDerWaalsContact C-N 3.25Å; C362-Q364 PolarHBondContact O-N 3.47Å
365Q93.4Very high94.4Very high50 Ų5031.5 Ų31.523%0.23419%0.186CC..  trans-153.893.2177.9179.1176.2-25.400108.3F28 L124 C362 Q363 A367F28-Q365 HydrophobicContact CD1-CB 3.88Å; F28-Q365 HydrophobicContact CE1-CB 3.92Å; L124-Q365 VanDerWaalsContact CD2-O 3.3Å; L124-Q365 WeakPolarHBondContact CD2-O 3.39Å; C362-Q365 CarbonylContact O-C 3.47Å; C362-Q365 PolarHBondContact O-N 3.26Å; C362-Q365 VanDerWaalsContact O-O 3.05Å; Q363-Q365 VanDerWaalsContact C-N 3.25Å; Q363-Q365 PolarHBondContact O-N 2.84Å; Q365-A367 VanDerWaalsContact CG-O 3.22Å; Q365-A367 WeakPolarHBondContact CG-O 3.44Å; Q365-A367 PolarHBondContact NE2-O 3.34Å; Q365-A367 PolarHBondContact O-N 2.82Å; Q365-A367 VanDerWaalsContact O-N 3.15Å
366P91.2Very high94.4Very high85 Ų8532.1 Ų32.155%0.55219%0.188SC*.SBendtrans-74.3-0.8-172.529.3-35.8000114.3
367A91.1Very high94.5Very high58 Ų5832.1 Ų32.148%0.47919%0.185SC..  trans-144135.8175.500000111.7Q365 G369Q365-A367 VanDerWaalsContact CG-O 3.22Å; Q365-A367 WeakPolarHBondContact CG-O 3.44Å; Q365-A367 PolarHBondContact NE2-O 3.34Å; Q365-A367 PolarHBondContact O-N 2.82Å; Q365-A367 VanDerWaalsContact O-N 3.15Å; A367-G369 VanDerWaalsContact C-N 3.34Å
368L94Very high94.7Very high5 Ų534.7 Ų34.73%0.02620%0.197CC..  trans-68.9-32.9176.9179.357.9000112.2F23 P27 T33 L124 C370F23-L368 HydrophobicContact CB-CD2 4.47Å; F23-L368 HydrophobicContact CB-CG 4.13Å; F23-L368 HydrophobicContact CD2-CD1 4.23Å; F23-L368 HydrophobicContact CG-CD1 4.35Å; F23-L368 HydrophobicContact CG-CD2 4.44Å; F23-L368 HydrophobicContact CG-CG 4.32Å; P27-L368 HydrophobicContact CB-CD1 4.01Å; P27-L368 HydrophobicContact CG-CD1 3.84Å; T33-L368 HydrophobicContact CG2-CD1 4.1Å; T33-L368 HydrophobicContact CG2-CD2 3.94Å; L124-L368 HydrophobicContact CB-CB 4.48Å; L124-L368 HydrophobicContact CD1-CB 4.27Å; L368-C370 VanDerWaalsContact CD2-SG 3.58Å
369G93.4Very high94.6Very high39 Ų3934.9 Ų34.940%0.40221%0.209SC..  trans82.236.3-178.400000112.7N120 A367N120-G369 PolarHBondContact OD1-N 3.16Å; N120-G369 VanDerWaalsContact OD1-N 3.09Å; A367-G369 VanDerWaalsContact C-N 3.34Å
370C97.4Very high94.6Very high12 Ų1239.6 Ų39.68%0.08123%0.231CC..EExtended strand (participates in β ladder)trans-59.8150.3167.2-63.20000110.7L21 F22 L116 N120 L368L21-C370 HydrophobicContact CD2-CB 4.07Å; F22-C370 CarbonylContact O-C 3.54Å; F22-C370 WeakPolarHBondContact O-CA 3.34Å; L116-C370 HydrophobicContact CD2-CB 3.65Å; N120-C370 WeakPolarHBondContact OD1-CB 3.25Å; N120-C370 PolarHBondContact OD1-N 3.25Å; L368-C370 VanDerWaalsContact CD2-SG 3.58Å
371V97.3Very high94.5Very high17 Ų1740.5 Ų40.510%0.10324%0.237CC..EExtended strand (participates in β ladder)trans-131.6149173.5-670000109.7L21 F22 K373L21-V371 VanDerWaalsContact CA-O 3.31Å; L21-V371 WeakPolarHBondContact CA-O 3.45Å; F22-V371 HydrophobicContact CD1-CG2 4.07Å; F22-V371 HydrophobicContact CD2-CG2 3.93Å; F22-V371 HydrophobicContact CE1-CG2 3.71Å; F22-V371 HydrophobicContact CE2-CG2 3.56Å; F22-V371 HydrophobicContact CG-CG2 4.18Å; F22-V371 HydrophobicContact CZ-CG2 3.44Å; F22-V371 VanDerWaalsContact CZ-CG2 3.44Å; F22-V371 PolarHBondContact N-O 3.28Å; F22-V371 PolarHBondContact O-N 2.81Å; V371-K373 HydrophobicContact CB-CG 4.28Å; V371-K373 HydrophobicContact CG2-CG 4.12Å
372Y98.2Very high94.5Very high2 Ų243.9 Ų43.91%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-115.6121.5174.9-169.1-98.2000107.4F19 E20 L21 V101 C108 E112 L115F19-Y372 HydrophobicContact CB-CD1 4.03Å; F19-Y372 HydrophobicContact CB-CE1 3.38Å; F19-Y372 HydrophobicContact CB-CE2 3.95Å; F19-Y372 AromaticContact CD1-CD1 3.39Å; F19-Y372 HydrophobicContact CD1-CD1 3.39Å; F19-Y372 AromaticContact CD1-CE1 3.17Å; F19-Y372 HydrophobicContact CD1-CE1 3.17Å; F19-Y372 HydrophobicContact CD1-CG 4.45Å; F19-Y372 HydrophobicContact CD2-CE1 4.19Å; F19-Y372 HydrophobicContact CE1-CD1 4.1Å; F19-Y372 AromaticContact CE1-CE1 3.92Å; F19-Y372 HydrophobicContact CE1-CE1 3.92Å; F19-Y372 AromaticContact CG-CD1 3.99Å; F19-Y372 HydrophobicContact CG-CD1 3.99Å; F19-Y372 AromaticContact CG-CE1 3.33Å; F19-Y372 HydrophobicContact CG-CE1 3.33Å; F19-Y372 AromaticContact CG-CZ 3.8Å; E20-Y372 CarbonylContact O-C 3.5Å; E20-Y372 WeakPolarHBondContact O-CA 3.44Å; L21-Y372 HydrophobicContact CB-CD2 3.97Å; L21-Y372 HydrophobicContact CD1-CD2 4.31Å; L21-Y372 HydrophobicContact CG-CD2 4.39Å; V101-Y372 WeakPolarHBondContact CB-OH 3.27Å; V101-Y372 HydrophobicContact CG2-CE2 4.01Å; C108-Y372 WeakPolarHBondContact O-CE1 3.2Å; C108-Y372 PolarHBondContact O-OH 3.36Å; C108-Y372 VanDerWaalsContact O-OH 3.11Å; E112-Y372 HydrophobicContact CB-CD1 3.58Å; E112-Y372 HydrophobicContact CB-CE1 3.95Å; E112-Y372 HydrophobicContact CB-CG 4.13Å; E112-Y372 HydrophobicContact CG-CD1 3.74Å; E112-Y372 HydrophobicContact CG-CG 4Å; L115-Y372 HydrophobicContact CD1-CE2 3.94Å
373K97.5Very high94.4Very high49 Ų4945.2 Ų45.221%0.21325%0.254CS..EExtended strand (participates in β ladder)trans-138.1135-168.3-65.3-74.1151.5-1000111.2F19 E20 F22 V371 V375 T393F19-K373 CarbonylContact C-O 3.59Å; F19-K373 VanDerWaalsContact CA-O 3.24Å; F19-K373 WeakPolarHBondContact CA-O 3.3Å; E20-K373 PolarHBondContact N-O 3.33Å; E20-K373 PolarHBondContact O-N 2.99Å; F22-K373 HydrophobicContact CE1-CB 4.13Å; F22-K373 HydrophobicContact CE1-CG 4.01Å; F22-K373 HydrophobicContact CZ-CG 4.29Å; V371-K373 HydrophobicContact CB-CG 4.28Å; V371-K373 HydrophobicContact CG2-CG 4.12Å; K373-V375 PolarHBondContact O-N 3.41Å; K373-T393 HydrophobicContact CB-CG2 3.83Å; K373-T393 HydrophobicContact CG-CG2 4.37Å
374L97.7Very high94.4Very high48 Ų4844.5 Ų44.525%0.25125%0.249SC..EExtended strand (participates in β ladder)trans-65.7123.8169.1-17870.5000108.9A17 F19 E376 L377 R382A17-L374 HydrophobicContact CB-CD1 3.82Å; F19-L374 HydrophobicContact CD1-CB 4.12Å; F19-L374 VanDerWaalsContact CD1-N 3.34Å; F19-L374 HydrophobicContact CD2-CD1 4.05Å; F19-L374 HydrophobicContact CE1-CB 3.78Å; F19-L374 HydrophobicContact CE1-CD1 4.41Å; F19-L374 HydrophobicContact CE2-CD1 3.68Å; F19-L374 HydrophobicContact CZ-CB 4.03Å; F19-L374 HydrophobicContact CZ-CD1 3.87Å; F19-L374 HydrophobicContact CZ-CG 4.49Å; L374-E376 WeakPolarHBondContact CD1-O 3.45Å; L374-L377 HydrophobicContact CD1-CB 4.49Å; L374-L377 HydrophobicContact CD2-CB 4.38Å; L374-R382 HydrophobicContact CD2-CB 4.31Å; L374-R382 HydrophobicContact CD2-CG 3.99Å; L374-R382 HydrophobicContact CG-CB 4.15Å; L374-R382 HydrophobicContact CG-CG 4.15Å
375V97.1Very high94.2Very high0 Ų043.7 Ų43.70%025%0.247CC..EExtended strand (participates in β ladder)trans-116.8-16.8179.3-60.30000113V18 E20 K373 R382 T393 G396V18-V375 HydrophobicContact CB-CG2 4.05Å; V18-V375 HydrophobicContact CG1-CG2 3.62Å; V18-V375 WeakPolarHBondContact O-CG2 3.41Å; V18-V375 PolarHBondContact O-N 3.05Å; E20-V375 HydrophobicContact CB-CG1 4.16Å; E20-V375 HydrophobicContact CG-CG1 4.06Å; E20-V375 HydrophobicContact CG-CG2 3.84Å; K373-V375 PolarHBondContact O-N 3.41Å; V375-R382 PolarHBondContact O-N 2.99Å; V375-T393 HydrophobicContact CG1-CG2 3.79Å; V375-G396 WeakPolarHBondContact O-CA 3.46Å; V375-G396 PolarHBondContact O-N 2.84Å
376E97.5Very high93.4Very high12 Ų1243.2 Ų43.26%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-153.2143.6175.4-162.3-175.1103.300109.9V18 L374 G379 E380 R397V18-E376 HydrophobicContact CB-CB 3.84Å; V18-E376 HydrophobicContact CG2-CB 3.91Å; V18-E376 PolarHBondContact N-O 2.86Å; V18-E376 PolarHBondContact O-N 3.17Å; L374-E376 WeakPolarHBondContact CD1-O 3.45Å; E376-G379 WeakPolarHBondContact OE1-CA 3.38Å; E376-E380 CarbonylContact C-O 3.46Å; E376-E380 WeakPolarHBondContact CA-O 3.27Å; E376-E380 WeakPolarHBondContact CG-O 2.93Å; E376-R397 VanDerWaalsContact CD-NE 3.29Å; E376-R397 IonicContact OE1-CZ 3.65Å; E376-R397 IonicContact OE1-NE 3.26Å; E376-R397 PolarHBondContact OE1-NE 3.35Å; E376-R397 IonicContact OE1-NH2 3.68Å; E376-R397 PolarHBondContact OE1-NH2 3.07Å; E376-R397 WeakPolarHBondContact OE2-CG 3.34Å; E376-R397 IonicContact OE2-CZ 2.73Å; E376-R397 PolarHBondContact OE2-N 3.09Å; E376-R397 IonicContact OE2-NE 3.79Å; E376-R397 PolarHBondContact OE2-NE 3.41Å; E376-R397 IonicContact OE2-NH2 2.7Å
377L97.8Very high92.7Very high16 Ų1648.8 Ų48.88%0.08427%0.265CS..EExtended strand (participates in β ladder)trans-139.8120.6174.7-176.371.3000109.4D15 A17 L105 L374 G379 E380 R382D15-L377 HydrophobicContact CB-CD1 3.79Å; A17-L377 HydrophobicContact CB-CD1 3.96Å; L105-L377 HydrophobicContact CD1-CD1 4.49Å; L105-L377 HydrophobicContact CD2-CD1 4.22Å; L374-L377 HydrophobicContact CD1-CB 4.49Å; L374-L377 HydrophobicContact CD2-CB 4.38Å; L377-G379 VanDerWaalsContact C-N 3.25Å; L377-G379 PolarHBondContact O-N 3.44Å; L377-E380 PolarHBondContact N-O 3.5Å; L377-E380 WeakPolarHBondContact O-CB 3.43Å; L377-E380 PolarHBondContact O-N 3.17Å; L377-R382 HydrophobicContact CB-CG 4.04Å
378N97.6Very high92.3Very high88 Ų8850.4 Ų50.447%0.47126%0.263SS..THydrogen-bonded Turntrans5241.7-176.9-65.5-22.2000112.9D15 F16 E380D15-N378 PolarHBondContact OD1-ND2 2.98Å; F16-N378 PolarHBondContact N-OD1 3.1Å; F16-N378 PolarHBondContact O-N 3.47Å; N378-E380 PolarHBondContact O-N 2.86Å
379G94.6Very high91.6Very high40 Ų4054 Ų5441%0.41228%0.281SS..THydrogen-bonded Turntrans81.5-13.3-178.100000114.8E376 L377E376-G379 WeakPolarHBondContact OE1-CA 3.38Å; L377-G379 VanDerWaalsContact C-N 3.25Å; L377-G379 PolarHBondContact O-N 3.44Å
380E94.6Very high90.9Very high100 Ų10055.1 Ų55.147%0.46728%0.283SS..EExtended strand (participates in β ladder)trans-88.3123.9179.2-67.3-64.9137.500111.1E376 L377 N378E376-E380 CarbonylContact C-O 3.46Å; E376-E380 WeakPolarHBondContact CA-O 3.27Å; E376-E380 WeakPolarHBondContact CG-O 2.93Å; L377-E380 PolarHBondContact N-O 3.5Å; L377-E380 WeakPolarHBondContact O-CB 3.43Å; L377-E380 PolarHBondContact O-N 3.17Å; N378-E380 PolarHBondContact O-N 2.86Å
381P94.2Very high90.3Very high18 Ų1858.1 Ų58.112%0.11730%0.295CS..EExtended strand (participates in β ladder)trans-57.4144.8176.1-2433.9000112.9P395 H520P381-P395 HydrophobicContact CB-CB 3.97Å; P381-H520 WeakPolarHBondContact CG-NE2 3.39Å
382R94.4Very high89.8Confident90 Ų9057.5 Ų57.534%0.3429%0.291SS..  trans-127.9140.9178.2-61.4-63174.9-137.4-0.2110.2L374 V375 L377 P395L374-R382 HydrophobicContact CD2-CB 4.31Å; L374-R382 HydrophobicContact CD2-CG 3.99Å; L374-R382 HydrophobicContact CG-CB 4.15Å; L374-R382 HydrophobicContact CG-CG 4.15Å; V375-R382 PolarHBondContact O-N 2.99Å; L377-R382 HydrophobicContact CB-CG 4.04Å; R382-P395 WeakPolarHBondContact O-CA 3.4Å
383M89.7Confident89.4Confident28 Ų2857.4 Ų57.414%0.13829%0.291CS..  trans-139.3130.1-176.9-169.8174.1-166.900110I385 A392 T393 P395 L521 W525M383-I385 HydrophobicContact CG-CG1 4.25Å; M383-I385 PolarHBondContact O-N 2.93Å; M383-I385 HydrophobicContact SD-CG1 4.23Å; M383-A392 HydrophobicContact CE-CB 4.18Å; M383-T393 WeakPolarHBondContact CE-O 3.42Å; M383-T393 VanDerWaalsContact CG-O 3.25Å; M383-T393 WeakPolarHBondContact CG-O 2.98Å; M383-P395 HydrophobicContact CB-CB 4.25Å; M383-P395 HydrophobicContact SD-CG 4.5Å; M383-L521 HydrophobicContact CE-CD1 3.43Å; M383-L521 VanDerWaalsContact CE-CD1 3.43Å; M383-L521 HydrophobicContact SD-CD1 4.14Å; M383-W525 HydrophobicContact CE-CE3 4.29Å
384K87.4Confident89.3Confident102 Ų10255.5 Ų55.544%0.44328%0.283SS..  trans-81.8112.4161.8-177.1-177.5178.31770108.6A392 T393K384-A392 WeakPolarHBondContact O-CA 3.3Å; K384-T393 PolarHBondContact O-N 2.89Å
385I81.4Confident89.1Confident59 Ų5953.2 Ų53.230%0.30327%0.271SS..  trans-90.5144.3166.3-63.3152.6000109M383 H528 V529M383-I385 HydrophobicContact CG-CG1 4.25Å; M383-I385 PolarHBondContact O-N 2.93Å; M383-I385 HydrophobicContact SD-CG1 4.23Å; I385-H528 HydrophobicContact CD1-CB 3.39Å; I385-V529 HydrophobicContact CB-CG2 4.46Å; I385-V529 HydrophobicContact CD1-CG2 3.58Å; I385-V529 HydrophobicContact CG1-CG2 4.23Å; I385-V529 HydrophobicContact CG2-CG2 3.71Å
386T76.9Confident89Confident39 Ų3953.3 Ų53.324%0.23927%0.272CS..  trans-154.1157.3-179.1-174.60000108.2E388 K391T386-E388 WeakPolarHBondContact CG2-O 3.49Å; T386-E388 PolarHBondContact O-N 3.11Å; T386-K391 HydrophobicContact CG2-CB 3.47Å; T386-K391 VanDerWaalsContact CG2-CB 3.47Å
387H77.2Confident88.9Confident203 Ų20356.3 Ų56.394%0.9428%0.283SS*.SBendtrans-59.2-19.3178.7-62.1-74.5000113.9
388E81.8Confident88.8Confident92 Ų9256 Ų5643%0.4328%0.281SS..SBendtrans-104.5107.2175.2-68.8172.8-13000111.1T386 S390 K391T386-E388 WeakPolarHBondContact CG2-O 3.49Å; T386-E388 PolarHBondContact O-N 3.11Å; E388-S390 PolarHBondContact O-N 2.74Å; E388-K391 HydrophobicContact CB-CB 4.37Å; E388-K391 HydrophobicContact CB-CD 4.2Å; E388-K391 HydrophobicContact CB-CG 4.35Å; E388-K391 PolarHBondContact O-N 2.84Å; E388-K391 IonicContact OE1-NZ 3.86Å; E388-K391 PolarHBondContact OE1-NZ 3.48Å; E388-K391 VanDerWaalsContact OE2-CD 3.29Å; E388-K391 WeakPolarHBondContact OE2-CD 3.24Å; E388-K391 WeakPolarHBondContact OE2-CE 3.14Å; E388-K391 IonicContact OE2-NZ 2.65Å; E388-K391 PolarHBondContact OE2-NZ 2.8Å
389I80.1Confident88.8Confident79 Ų7952.6 Ų52.641%0.40526%0.264SS..G310 helixtrans-52.6-33.2179.3-55.4-176.7000112.3K95 K391 A392 F449 W525K95-I389 PolarHBondContact NZ-O 2.86Å; I389-K391 PolarHBondContact O-N 3.3Å; I389-A392 VanDerWaalsContact O-CB 3.25Å; I389-A392 WeakPolarHBondContact O-CB 3.45Å; I389-A392 PolarHBondContact O-N 3.46Å; I389-A392 VanDerWaalsContact O-N 3.1Å; I389-F449 HydrophobicContact CG2-CB 3.82Å; I389-F449 HydrophobicContact CG2-CD1 3.51Å; I389-F449 HydrophobicContact CG2-CD2 4.13Å; I389-F449 HydrophobicContact CG2-CE1 4.06Å; I389-F449 HydrophobicContact CG2-CG 3.52Å; I389-W525 HydrophobicContact CB-CH2 4.25Å; I389-W525 HydrophobicContact CD1-CH2 3.89Å; I389-W525 HydrophobicContact CD1-CZ2 4.46Å; I389-W525 HydrophobicContact CG1-CH2 3.73Å; I389-W525 HydrophobicContact CG1-CZ2 4.24Å; I389-W525 HydrophobicContact CG2-CH2 3.8Å; I389-W525 HydrophobicContact CG2-CZ3 4.23Å
390S79.4Confident89Confident64 Ų6450.7 Ų50.745%0.44825%0.245SC..G310 helixtrans-58.6-31.4176.367.30000113.2K95 E388K95-S390 WeakPolarHBondContact CE-O 3.28Å; K95-S390 PolarHBondContact NZ-O 3.23Å; K95-S390 VanDerWaalsContact NZ-O 3.1Å; E388-S390 PolarHBondContact O-N 2.74Å
391K84.6Confident89.2Confident74 Ų7446.8 Ų46.832%0.32223%0.226SC..G310 helixtrans-90.7-6.6179.7-71.3175.3-177.8158.90113.7R24 T386 E388 I389R24-K391 PolarHBondContact NH2-O 2.9Å; T386-K391 HydrophobicContact CG2-CB 3.47Å; T386-K391 VanDerWaalsContact CG2-CB 3.47Å; E388-K391 HydrophobicContact CB-CB 4.37Å; E388-K391 HydrophobicContact CB-CD 4.2Å; E388-K391 HydrophobicContact CB-CG 4.35Å; E388-K391 PolarHBondContact O-N 2.84Å; E388-K391 IonicContact OE1-NZ 3.86Å; E388-K391 PolarHBondContact OE1-NZ 3.48Å; E388-K391 VanDerWaalsContact OE2-CD 3.29Å; E388-K391 WeakPolarHBondContact OE2-CD 3.24Å; E388-K391 WeakPolarHBondContact OE2-CE 3.14Å; E388-K391 IonicContact OE2-NZ 2.65Å; E388-K391 PolarHBondContact OE2-NZ 2.8Å; I389-K391 PolarHBondContact O-N 3.3Å
392A86.4Confident89.4Confident4 Ų446 Ų463%0.03322%0.22CC..PPolyproline II helixtrans-62.3140.6175.500000111.4K95 M383 K384 I389 F449K95-A392 PolarHBondContact NZ-O 3.48Å; M383-A392 HydrophobicContact CE-CB 4.18Å; K384-A392 WeakPolarHBondContact O-CA 3.3Å; I389-A392 VanDerWaalsContact O-CB 3.25Å; I389-A392 WeakPolarHBondContact O-CB 3.45Å; I389-A392 PolarHBondContact O-N 3.46Å; I389-A392 VanDerWaalsContact O-N 3.1Å; A392-F449 HydrophobicContact CB-CZ 4.47Å
393T89.9Confident89.5Confident1 Ų141.7 Ų41.71%0.00620%0.204CC..PPolyproline II helixtrans-90.8144.4177-53.30000109.2F22 K373 V375 M383 K384F22-T393 HydrophobicContact CE1-CG2 4.28Å; F22-T393 HydrophobicContact CZ-CG2 4.36Å; K373-T393 HydrophobicContact CB-CG2 3.83Å; K373-T393 HydrophobicContact CG-CG2 4.37Å; V375-T393 HydrophobicContact CG1-CG2 3.79Å; M383-T393 WeakPolarHBondContact CE-O 3.42Å; M383-T393 VanDerWaalsContact CG-O 3.25Å; M383-T393 WeakPolarHBondContact CG-O 2.98Å; K384-T393 PolarHBondContact O-N 2.89Å
394L94.4Very high89.8Confident9 Ų941.2 Ų41.25%0.04720%0.201CC..PPolyproline II helixtrans-84128.5173.2-64.9175.9000108.9K398 L429 P448 F449 F517 L521L394-K398 HydrophobicContact CB-CD 4.39Å; L394-K398 WeakPolarHBondContact O-CE 3.34Å; L394-K398 PolarHBondContact O-NZ 2.94Å; L394-L429 HydrophobicContact CD1-CD1 3.59Å; L394-P448 HydrophobicContact CD2-CB 4.01Å; L394-F449 HydrophobicContact CD2-CE1 4.37Å; L394-F449 HydrophobicContact CD2-CE2 4.3Å; L394-F449 HydrophobicContact CD2-CZ 3.67Å; L394-F517 HydrophobicContact CB-CZ 4.22Å; L394-L521 HydrophobicContact CD2-CD1 3.98Å; L394-L521 HydrophobicContact CD2-CD2 3.79Å
395P95Very high89.9Confident0 Ų036.6 Ų36.60%018%0.183CC..PPolyproline II helixtrans-77.8164.8-173.631.8-35.2000113.3P381 R382 M383 K398 L521 E524P381-P395 HydrophobicContact CB-CB 3.97Å; R382-P395 WeakPolarHBondContact O-CA 3.4Å; M383-P395 HydrophobicContact CB-CB 4.25Å; M383-P395 HydrophobicContact SD-CG 4.5Å; P395-K398 WeakPolarHBondContact O-CE 3.45Å; P395-K398 PolarHBondContact O-NZ 3.34Å; P395-L521 HydrophobicContact CG-CD1 4.16Å; P395-E524 HydrophobicContact CG-CB 4.4Å; P395-E524 HydrophobicContact CG-CG 4.4Å
396G94.6Very high89.9Confident2 Ų243 Ų432%0.02120%0.203CC..SBendtrans74.6171.7169.300000115V375 K398V375-G396 WeakPolarHBondContact O-CA 3.46Å; V375-G396 PolarHBondContact O-N 2.84Å; G396-K398 WeakPolarHBondContact O-CG 3.36Å; G396-K398 PolarHBondContact O-NZ 2.92Å
397R94.9Very high89.6Confident75 Ų7547.1 Ų47.128%0.28322%0.223SC..  trans-72.4136.3168.4-82.8-179.2-79.2-178.3-8.1111.9V18 E102 E376 R432V18-R397 HydrophobicContact CB-CG 4.25Å; V18-R397 HydrophobicContact CG1-CG 3.81Å; V18-R397 HydrophobicContact CG2-CG 3.8Å; E102-R397 WeakPolarHBondContact OE1-CD 3.35Å; E376-R397 VanDerWaalsContact CD-NE 3.29Å; E376-R397 IonicContact OE1-CZ 3.65Å; E376-R397 IonicContact OE1-NE 3.26Å; E376-R397 PolarHBondContact OE1-NE 3.35Å; E376-R397 IonicContact OE1-NH2 3.68Å; E376-R397 PolarHBondContact OE1-NH2 3.07Å; E376-R397 WeakPolarHBondContact OE2-CG 3.34Å; E376-R397 IonicContact OE2-CZ 2.73Å; E376-R397 PolarHBondContact OE2-N 3.09Å; E376-R397 IonicContact OE2-NE 3.79Å; E376-R397 PolarHBondContact OE2-NE 3.41Å; E376-R397 IonicContact OE2-NH2 2.7Å; R397-R432 HydrophobicContact CB-CB 3.85Å; R397-R432 PolarHBondContact O-N 2.83Å
398K96.3Very high89Confident10 Ų1038.1 Ų38.14%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-127.8159-172.1-44.2172.8-165.757.20111.6E20 L394 P395 G396 L429 T430 F517E20-K398 IonicContact OE1-NZ 3.92Å; E20-K398 PolarHBondContact OE1-NZ 3.48Å; E20-K398 WeakPolarHBondContact OE2-CE 3.21Å; E20-K398 IonicContact OE2-NZ 2.61Å; E20-K398 PolarHBondContact OE2-NZ 2.9Å; L394-K398 HydrophobicContact CB-CD 4.39Å; L394-K398 WeakPolarHBondContact O-CE 3.34Å; L394-K398 PolarHBondContact O-NZ 2.94Å; P395-K398 WeakPolarHBondContact O-CE 3.45Å; P395-K398 PolarHBondContact O-NZ 3.34Å; G396-K398 WeakPolarHBondContact O-CG 3.36Å; G396-K398 PolarHBondContact O-NZ 2.92Å; K398-L429 HydrophobicContact CB-CD2 4.26Å; K398-L429 HydrophobicContact CD-CD2 4.3Å; K398-T430 CarbonylContact C-O 3.58Å; K398-T430 WeakPolarHBondContact CA-O 3.45Å; K398-T430 WeakPolarHBondContact CB-O 3.09Å; K398-F517 HydrophobicContact CB-CE1 4.13Å; K398-F517 HydrophobicContact CD-CE1 3.62Å; K398-F517 HydrophobicContact CD-CZ 3.58Å; K398-F517 HydrophobicContact CG-CE1 3.55Å; K398-F517 HydrophobicContact CG-CZ 3.74Å
399S97.8Very high87.9Confident16 Ų1635.2 Ų35.211%0.11217%0.174CC..EExtended strand (participates in β ladder)trans-118.7140.3163.9-63.50000108.8Y401 L429 T430S399-Y401 VanDerWaalsContact CB-CE2 3.5Å; S399-L429 WeakPolarHBondContact O-CA 3.4Å; S399-T430 PolarHBondContact N-O 2.84Å; S399-T430 PolarHBondContact O-N 3.39Å
400L98.5Very high86.8Confident0 Ų036.4 Ų36.40%018%0.181CC..EExtended strand (participates in β ladder)trans-113.8121.3-177.517665.2000110.6I86 E96 D427 L429 N464 L465 L511I86-L400 HydrophobicContact CD1-CD2 3.78Å; E96-L400 HydrophobicContact CB-CD2 3.76Å; E96-L400 HydrophobicContact CG-CD1 3.97Å; E96-L400 HydrophobicContact CG-CD2 3.87Å; L400-D427 HydrophobicContact CD1-CB 4.16Å; L400-L429 HydrophobicContact CB-CD2 4Å; L400-L429 HydrophobicContact CD1-CD2 3.74Å; L400-L429 HydrophobicContact CD1-CG 4.11Å; L400-L429 HydrophobicContact CG-CD2 4.43Å; L400-N464 PolarHBondContact O-OD1 3.19Å; L400-L465 HydrophobicContact CD2-CB 3.98Å; L400-L465 HydrophobicContact CD2-CD1 3.74Å; L400-L465 HydrophobicContact CD2-CG 4.43Å; L400-L465 HydrophobicContact CG-CB 4.14Å; L400-L465 HydrophobicContact CG-CD1 3.97Å; L400-L465 HydrophobicContact CG-CG 4.41Å; L400-L465 PolarHBondContact O-N 2.92Å; L400-L511 HydrophobicContact CD1-CD1 4.28Å
401Y98.5Very high85.9Confident17 Ų1735.6 Ų35.67%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-120.4127.2-180-55.6-84.1000111.6S399 D427 L428 T430 A436 P437 V462 V463 N464S399-Y401 VanDerWaalsContact CB-CE2 3.5Å; Y401-D427 CarbonylContact O-C 3.57Å; Y401-D427 WeakPolarHBondContact O-CA 3.43Å; Y401-L428 PolarHBondContact N-O 2.87Å; Y401-L428 PolarHBondContact O-N 3.2Å; Y401-T430 HydrophobicContact CD2-CG2 4.04Å; Y401-T430 HydrophobicContact CE2-CG2 3.89Å; Y401-A436 HydrophobicContact CE1-CB 3.71Å; Y401-A436 WeakPolarHBondContact OH-CB 3.33Å; Y401-P437 HydrophobicContact CD1-CG 4.27Å; Y401-P437 HydrophobicContact CD2-CG 3.99Å; Y401-P437 HydrophobicContact CG-CG 3.81Å; Y401-V462 HydrophobicContact CD1-CG1 4.01Å; Y401-V462 HydrophobicContact CG-CG1 4.43Å; Y401-V463 CarbonylContact C-O 3.53Å; Y401-V463 VanDerWaalsContact CA-O 3.28Å; Y401-V463 WeakPolarHBondContact CA-O 3.12Å; Y401-N464 HydrophobicContact CD1-CB 3.89Å; Y401-N464 HydrophobicContact CE1-CB 3.82Å
402R98Very high84.4Confident1 Ų139.5 Ų39.50%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-86122.5167.9-179.5157.2-71.1165.58.9110.3I91 F93 Y404 A424 D427 V463 L465I91-R402 PolarHBondContact O-NH1 3.04Å; I91-R402 PolarHBondContact O-NH2 3.24Å; F93-R402 VanDerWaalsContact CE2-NH2 3.33Å; R402-Y404 HydrophobicContact CB-CE2 4.2Å; R402-Y404 WeakPolarHBondContact CD-OH 3.45Å; R402-Y404 HydrophobicContact CG-CD2 4.22Å; R402-Y404 HydrophobicContact CG-CE2 3.62Å; R402-A424 HydrophobicContact CG-CB 3.8Å; R402-D427 WeakPolarHBondContact CG-OD1 2.94Å; R402-D427 IonicContact CZ-OD1 3.45Å; R402-D427 IonicContact CZ-OD2 2.87Å; R402-D427 VanDerWaalsContact CZ-OD2 3.29Å; R402-D427 IonicContact NE-OD1 3.25Å; R402-D427 PolarHBondContact NE-OD1 2.74Å; R402-D427 IonicContact NE-OD2 3.74Å; R402-D427 PolarHBondContact NE-OD2 3.44Å; R402-D427 IonicContact NH2-OD1 3.7Å; R402-D427 IonicContact NH2-OD2 3.38Å; R402-D427 PolarHBondContact NH2-OD2 3.29Å; R402-V463 PolarHBondContact N-O 2.84Å; R402-V463 PolarHBondContact O-N 2.96Å; R402-L465 HydrophobicContact CB-CD1 4.03Å; R402-L465 HydrophobicContact CB-CD2 3.98Å; R402-L465 HydrophobicContact CB-CG 3.98Å
403L97.2Very high83.1Confident0 Ų042.9 Ų42.90%021%0.207CC..EExtended strand (participates in β ladder)trans-100.2122.6-180-52.4-173.6000109.8I425 N426 L428 P437 V443 V457 P459 V462L403-I425 VanDerWaalsContact O-CG1 3.32Å; L403-I425 WeakPolarHBondContact O-CG1 3.33Å; L403-I425 PolarHBondContact O-N 2.78Å; L403-N426 WeakPolarHBondContact CA-O 3.45Å; L403-N426 HydrophobicContact CB-CB 4.49Å; L403-N426 VanDerWaalsContact CB-O 3.27Å; L403-N426 WeakPolarHBondContact CB-O 3.48Å; L403-N426 PolarHBondContact N-O 2.81Å; L403-L428 HydrophobicContact CD1-CB 4.04Å; L403-L428 HydrophobicContact CD1-CD2 4.39Å; L403-L428 HydrophobicContact CG-CB 4.28Å; L403-P437 HydrophobicContact CD2-CB 4.39Å; L403-P437 HydrophobicContact CD2-CG 4.01Å; L403-V443 HydrophobicContact CD1-CG1 3.92Å; L403-V457 HydrophobicContact CB-CG1 4.28Å; L403-V457 HydrophobicContact CD1-CB 4.28Å; L403-V457 HydrophobicContact CD1-CG1 3.93Å; L403-P459 HydrophobicContact CB-CB 4.14Å; L403-P459 HydrophobicContact CD2-CB 4.16Å; L403-P459 HydrophobicContact CD2-CG 4.34Å; L403-V462 HydrophobicContact CD2-CG1 4.27Å; L403-V462 HydrophobicContact CD2-CG2 4Å
404Y94.6Very high82Confident18 Ų1843.9 Ų43.97%0.07122%0.218CC..EExtended strand (participates in β ladder)trans-98.3138.4178-68.4-92.4000111.3R402 R422 C423 A424 P459 S460 R461 V463R402-Y404 HydrophobicContact CB-CE2 4.2Å; R402-Y404 WeakPolarHBondContact CD-OH 3.45Å; R402-Y404 HydrophobicContact CG-CD2 4.22Å; R402-Y404 HydrophobicContact CG-CE2 3.62Å; Y404-R422 HydrophobicContact CD1-CB 4.41Å; Y404-R422 VanDerWaalsContact CD1-O 3.24Å; Y404-R422 WeakPolarHBondContact CD1-O 3.43Å; Y404-C423 CarbonylContact C-O 3.57Å; Y404-C423 VanDerWaalsContact CA-O 3.3Å; Y404-C423 WeakPolarHBondContact CA-O 3.46Å; Y404-C423 VanDerWaalsContact CD1-C 3.47Å; Y404-A424 HydrophobicContact CD1-CB 4.2Å; Y404-A424 HydrophobicContact CE1-CB 3.92Å; Y404-P459 CarbonylContact O-C 3.56Å; Y404-P459 WeakPolarHBondContact O-CA 3.44Å; Y404-S460 PolarHBondContact O-N 3.23Å; Y404-S460 PolarHBondContact O-OG 3.44Å; Y404-R461 HydrophobicContact CD2-CB 4.18Å; Y404-R461 HydrophobicContact CD2-CG 4.13Å; Y404-R461 HydrophobicContact CG-CB 4.33Å; Y404-R461 PolarHBondContact N-O 2.7Å; Y404-V463 HydrophobicContact CD2-CG2 4.25Å; Y404-V463 HydrophobicContact CE2-CB 4.19Å; Y404-V463 HydrophobicContact CE2-CG2 3.63Å
405G90.5Very high80.5Confident6 Ų649.9 Ų49.96%0.06226%0.258CS..EExtended strand (participates in β ladder)trans-78.1172.817500000112.7C423 S460G405-C423 PolarHBondContact N-O 2.87Å; G405-S460 PolarHBondContact O-OG 3.02Å
406R81.4Confident78.1Confident193 Ų19354.1 Ų54.173%0.72828%0.283SS*.EExtended strand (participates in β ladder)trans-75-32.7171.4-66.7-178.2-177.3-1800.2111.5G408R406-G408 PolarHBondContact O-N 2.81Å
407D70.4Confident76.1Confident125 Ų12560 Ų6067%0.66831%0.309SS*.EExtended strand (participates in β ladder)trans-66.2129.1178.4-54.7-24.5000110C423D407-C423 PolarHBondContact O-N 2.94Å
408G64.2Low73.9Confident15 Ų1562.8 Ų62.816%0.15532%0.323CS..EExtended strand (participates in β ladder)trans-91.2173.9174.900000113.1R406 F419 Y421R406-G408 PolarHBondContact O-N 2.81Å; G408-F419 VanDerWaalsContact CA-CD1 3.44Å; G408-F419 WeakPolarHBondContact O-CD1 3.49Å; G408-F419 WeakPolarHBondContact O-CE1 3.38Å; G408-Y421 CarbonylContact C-O 3.59Å; G408-Y421 VanDerWaalsContact C-O 3.25Å; G408-Y421 WeakPolarHBondContact CA-O 3.19Å
409T59.2Low72.1Confident30 Ų3068.9 Ų68.918%0.18435%0.35CS..EExtended strand (participates in β ladder)trans-77.2127.9158.512.40000109V411 F419 S420 Y421 C423 R494T409-V411 PolarHBondContact O-N 3.16Å; T409-F419 WeakPolarHBondContact O-CA 3.05Å; T409-S420 PolarHBondContact O-N 3.06Å; T409-Y421 PolarHBondContact N-O 3.01Å; T409-Y421 WeakPolarHBondContact OG1-CB 3.43Å; T409-Y421 PolarHBondContact OG1-O 3.27Å; T409-C423 PolarHBondContact N-SG 2.8Å; T409-C423 VanDerWaalsContact N-SG 3.36Å; T409-R494 PolarHBondContact OG1-O 3.02Å
410L57.3Low70.2Confident104 Ų10471.3 Ų71.355%0.54537%0.366SS..EExtended strand (participates in β ladder)trans-65.7118.2166.6-71.3168.1000108.4F417 F419L410-F417 HydrophobicContact CB-CB 4.39Å; L410-F417 HydrophobicContact CB-CD1 4.16Å; L410-F417 HydrophobicContact CD2-CB 3.92Å; L410-F419 HydrophobicContact CD2-CD1 4.02Å; L410-F419 HydrophobicContact CD2-CD2 4.12Å; L410-F419 HydrophobicContact CD2-CE1 3.77Å; L410-F419 HydrophobicContact CD2-CE2 3.83Å; L410-F419 HydrophobicContact CD2-CG 4.23Å; L410-F419 HydrophobicContact CD2-CZ 3.67Å; L410-F419 HydrophobicContact CG-CD1 4.21Å; L410-F419 HydrophobicContact CG-CE1 3.76Å; L410-F419 HydrophobicContact CG-CZ 4.01Å
411V59.1Low68.5Low48 Ų4874.7 Ų74.729%0.29138%0.379SS..EExtended strand (participates in β ladder)trans-108.5127.4172.5178.60000107.8T409 T413 F417 K418 Y421T409-V411 PolarHBondContact O-N 3.16Å; V411-T413 HydrophobicContact CG1-CG2 4.2Å; V411-T413 PolarHBondContact O-N 2.82Å; V411-F417 CarbonylContact O-C 3.48Å; V411-F417 WeakPolarHBondContact O-CA 3.34Å; V411-K418 PolarHBondContact N-O 2.79Å; V411-K418 PolarHBondContact O-N 2.73Å; V411-Y421 HydrophobicContact CG2-CD2 4.19Å; V411-Y421 HydrophobicContact CG2-CE2 4.16Å
412Y54.2Low67.5Low155 Ų15580 Ų8061%0.60840%0.4SS*.EExtended strand (participates in β ladder)trans-68.4117171.8-175.9-102.1000108.9G414 F417Y412-G414 WeakPolarHBondContact CD2-O 3.39Å; Y412-G414 WeakPolarHBondContact CE2-O 3.28Å; Y412-G414 PolarHBondContact OH-O 3.36Å; Y412-F417 HydrophobicContact CD2-CD1 4.37Å; Y412-F417 HydrophobicContact CD2-CD2 4.47Å; Y412-F417 AromaticContact CD2-CE1 3.93Å; Y412-F417 HydrophobicContact CD2-CE1 3.93Å; Y412-F417 HydrophobicContact CD2-CE2 4.04Å; Y412-F417 AromaticContact CD2-CZ 3.75Å; Y412-F417 HydrophobicContact CD2-CZ 3.75Å; Y412-F417 HydrophobicContact CG-CE1 4.37Å
413T59.3Low67.1Low75 Ų7580.4 Ų80.446%0.4640%0.402SS..  trans-114.827.1-178.956.50000112.3V411 V416 K418V411-T413 HydrophobicContact CG1-CG2 4.2Å; V411-T413 PolarHBondContact O-N 2.82Å; T413-V416 PolarHBondContact N-O 3.16Å; T413-V416 VanDerWaalsContact N-O 3.09Å; T413-V416 PolarHBondContact OG1-O 3.16Å; T413-K418 HydrophobicContact CG2-CB 4.21Å; T413-K418 HydrophobicContact CG2-CD 4.41Å
414G66.4Low67Low23 Ų2380.4 Ų80.424%0.23740%0.402CS..SBendtrans105.4-136.6-169.700000110.5Y412 V416Y412-G414 WeakPolarHBondContact CD2-O 3.39Å; Y412-G414 WeakPolarHBondContact CE2-O 3.28Å; Y412-G414 PolarHBondContact OH-O 3.36Å; G414-V416 PolarHBondContact O-N 2.76Å
415P63.3Low66.9Low134 Ų13481.8 Ų81.887%0.8741%0.41SS*.SBendtrans-63.1-7.5-173.425.3-33.2000114.8
416V43.4Very low67.2Low89 Ų8981.8 Ų81.854%0.53941%0.409SS..SBendtrans-134.2142.7-178.9-144.10000111T413 G414T413-V416 PolarHBondContact N-O 3.16Å; T413-V416 VanDerWaalsContact N-O 3.09Å; T413-V416 PolarHBondContact OG1-O 3.16Å; G414-V416 PolarHBondContact O-N 2.76Å
417F52.6Low68Low127 Ų12772.6 Ų72.656%0.55737%0.374SS*.EExtended strand (participates in β ladder)trans-80.5133.5164.9-69.2-92.1000109.6L410 V411 Y412L410-F417 HydrophobicContact CB-CB 4.39Å; L410-F417 HydrophobicContact CB-CD1 4.16Å; L410-F417 HydrophobicContact CD2-CB 3.92Å; V411-F417 CarbonylContact O-C 3.48Å; V411-F417 WeakPolarHBondContact O-CA 3.34Å; Y412-F417 HydrophobicContact CD2-CD1 4.37Å; Y412-F417 HydrophobicContact CD2-CD2 4.47Å; Y412-F417 AromaticContact CD2-CE1 3.93Å; Y412-F417 HydrophobicContact CD2-CE1 3.93Å; Y412-F417 HydrophobicContact CD2-CE2 4.04Å; Y412-F417 AromaticContact CD2-CZ 3.75Å; Y412-F417 HydrophobicContact CD2-CZ 3.75Å; Y412-F417 HydrophobicContact CG-CE1 4.37Å
418K50.6Low69.3Low133 Ų13366.7 Ų66.758%0.57834%0.343SS*.EExtended strand (participates in β ladder)trans-117.5140.2171.7-72.9-176.9179.5-1800109.7V411 T413 S420V411-K418 PolarHBondContact N-O 2.79Å; V411-K418 PolarHBondContact O-N 2.73Å; T413-K418 HydrophobicContact CG2-CB 4.21Å; T413-K418 HydrophobicContact CG2-CD 4.41Å; K418-S420 PolarHBondContact O-N 3Å
419F57.4Low71Confident138 Ų13866 Ų6661%0.60534%0.335SS*.EExtended strand (participates in β ladder)trans-68.8114.4166.5-75.7-70.7000109G408 T409 L410G408-F419 VanDerWaalsContact CA-CD1 3.44Å; G408-F419 WeakPolarHBondContact O-CD1 3.49Å; G408-F419 WeakPolarHBondContact O-CE1 3.38Å; T409-F419 WeakPolarHBondContact O-CA 3.05Å; L410-F419 HydrophobicContact CD2-CD1 4.02Å; L410-F419 HydrophobicContact CD2-CD2 4.12Å; L410-F419 HydrophobicContact CD2-CE1 3.77Å; L410-F419 HydrophobicContact CD2-CE2 3.83Å; L410-F419 HydrophobicContact CD2-CG 4.23Å; L410-F419 HydrophobicContact CD2-CZ 3.67Å; L410-F419 HydrophobicContact CG-CD1 4.21Å; L410-F419 HydrophobicContact CG-CE1 3.76Å; L410-F419 HydrophobicContact CG-CZ 4.01Å
420S57.9Low72.8Confident66 Ų6664.8 Ų64.846%0.46233%0.328SS..EExtended strand (participates in β ladder)trans-103.9-46.4-176.1-174.20000112.7T409 K418T409-S420 PolarHBondContact O-N 3.06Å; K418-S420 PolarHBondContact O-N 3Å
421Y63.2Low74.7Confident71 Ų7161.1 Ų61.128%0.27831%0.309SS..EExtended strand (participates in β ladder)trans-119.6129.3-174.5-54-90.4000109.6G408 T409 V411 C423 R494G408-Y421 CarbonylContact C-O 3.59Å; G408-Y421 VanDerWaalsContact C-O 3.25Å; G408-Y421 WeakPolarHBondContact CA-O 3.19Å; T409-Y421 PolarHBondContact N-O 3.01Å; T409-Y421 WeakPolarHBondContact OG1-CB 3.43Å; T409-Y421 PolarHBondContact OG1-O 3.27Å; V411-Y421 HydrophobicContact CG2-CD2 4.19Å; V411-Y421 HydrophobicContact CG2-CE2 4.16Å; Y421-C423 PolarHBondContact O-N 3.18Å; Y421-R494 HydrophobicContact CD2-CB 4.18Å; Y421-R494 HydrophobicContact CE2-CB 4.24Å
422R77.4Confident76.4Confident130 Ų13063.4 Ų63.449%0.49131%0.312SS..EExtended strand (participates in β ladder)trans-61.4135.1165.5-64.6173.9176.7-170.88.1108.3Y404 S460Y404-R422 HydrophobicContact CD1-CB 4.41Å; Y404-R422 VanDerWaalsContact CD1-O 3.24Å; Y404-R422 WeakPolarHBondContact CD1-O 3.43Å; R422-S460 WeakPolarHBondContact CD-OG 3.24Å; R422-S460 VanDerWaalsContact NH1-C 3.33Å; R422-S460 PolarHBondContact NH1-O 2.73Å; R422-S460 PolarHBondContact NH1-OG 2.84Å
423C90.3Very high78.3Confident9 Ų961.4 Ų61.46%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-90.8140.4-176.6-70.30000111.8Y404 G405 D407 T409 Y421 S495 R497Y404-C423 CarbonylContact C-O 3.57Å; Y404-C423 VanDerWaalsContact CA-O 3.3Å; Y404-C423 WeakPolarHBondContact CA-O 3.46Å; Y404-C423 VanDerWaalsContact CD1-C 3.47Å; G405-C423 PolarHBondContact N-O 2.87Å; D407-C423 PolarHBondContact O-N 2.94Å; T409-C423 PolarHBondContact N-SG 2.8Å; T409-C423 VanDerWaalsContact N-SG 3.36Å; Y421-C423 PolarHBondContact O-N 3.18Å; C423-S495 CarbonylContact C-O 3.55Å; C423-S495 VanDerWaalsContact CA-O 3.3Å; C423-S495 WeakPolarHBondContact CA-O 3.45Å; C423-R497 HydrophobicContact CB-CG 3.64Å
424A94Very high80Confident0 Ų060.1 Ų60.10%031%0.31CS..EExtended strand (participates in β ladder)trans-65.9131.9167.700000109.2R402 Y404 S495 I496 Y509R402-A424 HydrophobicContact CG-CB 3.8Å; Y404-A424 HydrophobicContact CD1-CB 4.2Å; Y404-A424 HydrophobicContact CE1-CB 3.92Å; A424-S495 PolarHBondContact N-O 3.28Å; A424-I496 HydrophobicContact CB-CD1 3.71Å; A424-Y509 HydrophobicContact CB-CE2 4.22Å; A424-Y509 VanDerWaalsContact CB-OH 3.31Å; A424-Y509 WeakPolarHBondContact CB-OH 3.47Å
425I93.5Very high81.4Confident46 Ų4666.6 Ų66.624%0.23633%0.331CS..EExtended strand (participates in β ladder)trans-122.9-20.5-174.656168.8000113.6L403 V457L403-I425 VanDerWaalsContact O-CG1 3.32Å; L403-I425 WeakPolarHBondContact O-CG1 3.33Å; L403-I425 PolarHBondContact O-N 2.78Å; I425-V457 HydrophobicContact CD1-CG1 3.69Å; I425-V457 HydrophobicContact CG1-CG1 4.37Å
426N96.3Very high83Confident6 Ų662.3 Ų62.33%0.03231%0.307CS..EExtended strand (participates in β ladder)trans-163.7139.7-179.2-165.6-76000109.1L403 V457 Y509 K510 S512L403-N426 WeakPolarHBondContact CA-O 3.45Å; L403-N426 HydrophobicContact CB-CB 4.49Å; L403-N426 VanDerWaalsContact CB-O 3.27Å; L403-N426 WeakPolarHBondContact CB-O 3.48Å; L403-N426 PolarHBondContact N-O 2.81Å; N426-V457 HydrophobicContact CB-CG2 4.42Å; N426-Y509 PolarHBondContact N-OH 2.64Å; N426-K510 WeakPolarHBondContact CA-O 3.23Å; N426-S512 PolarHBondContact ND2-OG 2.92Å; N426-S512 WeakPolarHBondContact OD1-CB 3.23Å; N426-S512 PolarHBondContact OD1-OG 2.84Å
427D98.2Very high85.6Confident0 Ų059 Ų590%029%0.288CS..EExtended strand (participates in β ladder)trans-106128.3166.7-74.420.8000108.2E96 L400 Y401 R402 L465 Y509 K510 L511 S512E96-D427 WeakPolarHBondContact OE1-CB 3.45Å; L400-D427 HydrophobicContact CD1-CB 4.16Å; Y401-D427 CarbonylContact O-C 3.57Å; Y401-D427 WeakPolarHBondContact O-CA 3.43Å; R402-D427 WeakPolarHBondContact CG-OD1 2.94Å; R402-D427 IonicContact CZ-OD1 3.45Å; R402-D427 IonicContact CZ-OD2 2.87Å; R402-D427 VanDerWaalsContact CZ-OD2 3.29Å; R402-D427 IonicContact NE-OD1 3.25Å; R402-D427 PolarHBondContact NE-OD1 2.74Å; R402-D427 IonicContact NE-OD2 3.74Å; R402-D427 PolarHBondContact NE-OD2 3.44Å; R402-D427 IonicContact NH2-OD1 3.7Å; R402-D427 IonicContact NH2-OD2 3.38Å; R402-D427 PolarHBondContact NH2-OD2 3.29Å; D427-L465 WeakPolarHBondContact OD2-CD1 3.25Å; D427-Y509 HydrophobicContact CB-CE1 3.89Å; D427-Y509 VanDerWaalsContact OD1-CE1 3.27Å; D427-Y509 WeakPolarHBondContact OD1-CE1 3.29Å; D427-Y509 PolarHBondContact OD1-OH 2.88Å; D427-K510 PolarHBondContact N-O 3.13Å; D427-L511 HydrophobicContact CB-CD1 4.05Å; D427-L511 CarbonylContact O-C 3.01Å; D427-L511 WeakPolarHBondContact O-CA 3.47Å; D427-S512 PolarHBondContact O-N 2.82Å
428L98.5Very high87.7Confident2 Ų257.4 Ų57.41%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-111.3121.2-173.5-179.168.5000110.2Y401 L403 T430 P437 V443 S512Y401-L428 PolarHBondContact N-O 2.87Å; Y401-L428 PolarHBondContact O-N 3.2Å; L403-L428 HydrophobicContact CD1-CB 4.04Å; L403-L428 HydrophobicContact CD1-CD2 4.39Å; L403-L428 HydrophobicContact CG-CB 4.28Å; L428-T430 HydrophobicContact CD2-CG2 4.19Å; L428-T430 HydrophobicContact CG-CG2 4.2Å; L428-P437 HydrophobicContact CD2-CB 4.3Å; L428-P437 HydrophobicContact CD2-CG 4.15Å; L428-V443 HydrophobicContact CD2-CG1 4.25Å; L428-V443 HydrophobicContact CD2-CG2 3.76Å; L428-S512 WeakPolarHBondContact CA-O 3.42Å
429L98.3Very high89.9Confident0 Ų056.3 Ų56.30%028%0.279CS..EExtended strand (participates in β ladder)trans-90.5130.2167.3-72.5169.3000110.3P97 L394 K398 S399 L400 L511 S512 V513 S514 F517P97-L429 HydrophobicContact CG-CD2 4.17Å; L394-L429 HydrophobicContact CD1-CD1 3.59Å; K398-L429 HydrophobicContact CB-CD2 4.26Å; K398-L429 HydrophobicContact CD-CD2 4.3Å; S399-L429 WeakPolarHBondContact O-CA 3.4Å; L400-L429 HydrophobicContact CB-CD2 4Å; L400-L429 HydrophobicContact CD1-CD2 3.74Å; L400-L429 HydrophobicContact CD1-CG 4.11Å; L400-L429 HydrophobicContact CG-CD2 4.43Å; L429-L511 HydrophobicContact CD1-CD1 4.04Å; L429-L511 HydrophobicContact CD1-CD2 3.95Å; L429-L511 HydrophobicContact CD1-CG 4.25Å; L429-L511 HydrophobicContact CG-CD1 4.07Å; L429-S512 PolarHBondContact N-O 3.09Å; L429-V513 HydrophobicContact CB-CG1 4.12Å; L429-V513 CarbonylContact O-C 3.56Å; L429-V513 VanDerWaalsContact O-CA 3.29Å; L429-V513 WeakPolarHBondContact O-CA 3.35Å; L429-S514 PolarHBondContact O-N 2.82Å; L429-F517 HydrophobicContact CB-CD1 4.19Å; L429-F517 HydrophobicContact CB-CE1 4.05Å
430T98.2Very high91.6Very high4 Ų451.8 Ų51.83%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-119.5158.1169.5760000109K398 S399 Y401 L428 F517K398-T430 CarbonylContact C-O 3.58Å; K398-T430 WeakPolarHBondContact CA-O 3.45Å; K398-T430 WeakPolarHBondContact CB-O 3.09Å; S399-T430 PolarHBondContact N-O 2.84Å; S399-T430 PolarHBondContact O-N 3.39Å; Y401-T430 HydrophobicContact CD2-CG2 4.04Å; Y401-T430 HydrophobicContact CE2-CG2 3.89Å; L428-T430 HydrophobicContact CD2-CG2 4.19Å; L428-T430 HydrophobicContact CG-CG2 4.2Å; T430-F517 VanDerWaalsContact C-CD1 3.47Å
431L96.1Very high93.5Very high27 Ų2753.9 Ų53.914%0.14127%0.273CS..EExtended strand (participates in β ladder)trans-58.1146.4159.3-58.9170.7000108.2S433 E434 F517 H520L431-S433 PolarHBondContact O-N 3.27Å; L431-E434 HydrophobicContact CB-CG 4.06Å; L431-E434 VanDerWaalsContact CB-OE1 3.3Å; L431-E434 WeakPolarHBondContact CB-OE1 3.13Å; L431-E434 WeakPolarHBondContact CG-OE1 3.28Å; L431-E434 PolarHBondContact N-OE1 3.03Å; L431-E434 WeakPolarHBondContact O-CB 3.3Å; L431-E434 PolarHBondContact O-N 2.87Å; L431-F517 HydrophobicContact CD2-CD1 4.31Å; L431-F517 HydrophobicContact CD2-CD2 4.26Å; L431-F517 HydrophobicContact CD2-CE1 4.48Å; L431-F517 HydrophobicContact CD2-CE2 4.44Å; L431-F517 HydrophobicContact CD2-CG 4.16Å; L431-F517 HydrophobicContact CG-CB 4.18Å; L431-F517 HydrophobicContact CG-CD1 4.42Å; L431-F517 HydrophobicContact CG-CG 4.25Å; L431-H520 HydrophobicContact CD1-CB 4.21Å
432R94.5Very high95Very high96 Ų9654.5 Ų54.536%0.36229%0.286SS..THydrogen-bonded Turntrans-63.5-24.6-177.4-173.8171.7179-176.4-3113.1Y84 E102 R397 E434Y84-R432 VanDerWaalsContact CZ-NH2 3.32Å; Y84-R432 PolarHBondContact OH-NH2 2.96Å; E102-R432 IonicContact OE1-CZ 3.69Å; E102-R432 IonicContact OE1-NH1 3.99Å; E102-R432 PolarHBondContact OE1-NH1 2.8Å; E102-R432 IonicContact OE2-NH1 2.72Å; E102-R432 PolarHBondContact OE2-NH1 3Å; R397-R432 HydrophobicContact CB-CB 3.85Å; R397-R432 PolarHBondContact O-N 2.83Å; R432-E434 VanDerWaalsContact C-N 3.33Å
433S94Very high95.9Very high114 Ų11449.8 Ų49.880%0.79727%0.271SS*.THydrogen-bonded Turntrans-78.3-13.9176.152.60000114L431L431-S433 PolarHBondContact O-N 3.27Å
434E96.5Very high96.2Very high47 Ų4751.4 Ų51.422%0.2228%0.279CS..SBendtrans-75.1149.4178.9-71.1175.6-100.700111.7L431 R432 S514 A516L431-E434 HydrophobicContact CB-CG 4.06Å; L431-E434 VanDerWaalsContact CB-OE1 3.3Å; L431-E434 WeakPolarHBondContact CB-OE1 3.13Å; L431-E434 WeakPolarHBondContact CG-OE1 3.28Å; L431-E434 PolarHBondContact N-OE1 3.03Å; L431-E434 WeakPolarHBondContact O-CB 3.3Å; L431-E434 PolarHBondContact O-N 2.87Å; R432-E434 VanDerWaalsContact C-N 3.33Å; E434-S514 PolarHBondContact OE1-OG 2.8Å; E434-S514 VanDerWaalsContact OE2-CB 3.23Å; E434-S514 WeakPolarHBondContact OE2-CB 3.37Å; E434-S514 PolarHBondContact OE2-OG 2.82Å; E434-A516 HydrophobicContact CG-CB 4.33Å; E434-A516 WeakPolarHBondContact OE2-CB 3.31Å
435K95.9Very high96.4Very high160 Ų16051.4 Ų51.470%0.69628%0.279SS*.PPolyproline II helixtrans-63.6138.8170.2-171.2-179.8175.8-171.20109.8E438K435-E438 WeakPolarHBondContact CE-OE1 3.27Å; K435-E438 IonicContact NZ-OE1 3.99Å; K435-E438 PolarHBondContact NZ-OE1 2.85Å
436A97.1Very high96.6Very high44 Ų4451.1 Ų51.136%0.36428%0.275SS..PPolyproline II helixtrans-59.4145.4174.700000111.4Y401Y401-A436 HydrophobicContact CE1-CB 3.71Å; Y401-A436 WeakPolarHBondContact OH-CB 3.33Å
437P97.2Very high96.6Very high20 Ų2053 Ų5313%0.1328%0.284CS..PPolyproline II helixtrans-63.2143.8171.627.4-32.9000110.3Y401 L403 L428 V462Y401-P437 HydrophobicContact CD1-CG 4.27Å; Y401-P437 HydrophobicContact CD2-CG 3.99Å; Y401-P437 HydrophobicContact CG-CG 3.81Å; L403-P437 HydrophobicContact CD2-CB 4.39Å; L403-P437 HydrophobicContact CD2-CG 4.01Å; L428-P437 HydrophobicContact CD2-CB 4.3Å; L428-P437 HydrophobicContact CD2-CG 4.15Å; P437-V462 HydrophobicContact CG-CG1 3.85Å
438E97.1Very high96.4Very high92 Ų9253.2 Ų53.243%0.4329%0.285SS..  trans-105.6146.6-177.6-68.5179.8-17800111.7K435 G440 Q441 P459K435-E438 WeakPolarHBondContact CE-OE1 3.27Å; K435-E438 IonicContact NZ-OE1 3.99Å; K435-E438 PolarHBondContact NZ-OE1 2.85Å; E438-G440 PolarHBondContact O-N 3.42Å; E438-Q441 HydrophobicContact CB-CB 4.15Å; E438-Q441 HydrophobicContact CB-CG 3.9Å; E438-Q441 PolarHBondContact O-N 3.32Å; E438-P459 WeakPolarHBondContact O-CG 3.27Å
439E95.8Very high96Very high111 Ų11155 Ų5552%0.51929%0.293SS..THydrogen-bonded Turntrans-63135.2174.2-61.4-176.6172.700110.5Q441 R461 V462E439-Q441 PolarHBondContact O-N 3.35Å; E439-R461 VanDerWaalsContact OE1-CA 3.24Å; E439-R461 WeakPolarHBondContact OE1-CA 3.48Å; E439-V462 HydrophobicContact CG-CB 4.23Å; E439-V462 HydrophobicContact CG-CG2 3.95Å; E439-V462 PolarHBondContact OE1-N 3.32Å; E439-V462 VanDerWaalsContact OE1-N 3.07Å
440G94.4Very high95.7Very high42 Ų4259 Ų5943%0.43331%0.311SS..THydrogen-bonded Turntrans78.1-8.1-178.500000115.3E438 T458 P459E438-G440 PolarHBondContact O-N 3.42Å; G440-T458 VanDerWaalsContact O-CG2 3.27Å; G440-T458 WeakPolarHBondContact O-CG2 3.32Å; G440-P459 PolarHBondContact N-O 2.71Å
441Q96Very high95.2Very high111 Ų11164.8 Ų64.852%0.51934%0.339SS..SBendtrans-98.4128.9177.4-62-57.5-35.600111.3E438 E439 V443 P459E438-Q441 HydrophobicContact CB-CB 4.15Å; E438-Q441 HydrophobicContact CB-CG 3.9Å; E438-Q441 PolarHBondContact O-N 3.32Å; E439-Q441 PolarHBondContact O-N 3.35Å; Q441-V443 PolarHBondContact O-N 2.82Å; Q441-P459 VanDerWaalsContact O-CD 3.32Å; Q441-P459 WeakPolarHBondContact O-CD 3.42Å
442P95.8Very high95Very high83 Ų8371.6 Ų71.654%0.53937%0.374SS..  trans-67.1132.8178.927.5-33000111.4V457P442-V457 WeakPolarHBondContact CA-O 3.18Å
443V96.5Very high95Very high31 Ų3172.5 Ų72.519%0.18838%0.381CS..EExtended strand (participates in β ladder)trans-121132.4171.959.50000110.4L403 L428 Q441 C445 V457L403-V443 HydrophobicContact CD1-CG1 3.92Å; L428-V443 HydrophobicContact CD2-CG1 4.25Å; L428-V443 HydrophobicContact CD2-CG2 3.76Å; Q441-V443 PolarHBondContact O-N 2.82Å; V443-C445 PolarHBondContact O-N 2.93Å; V443-V457 HydrophobicContact CG1-CB 4.4Å; V443-V457 WeakPolarHBondContact CG1-O 3.35Å; V443-V457 PolarHBondContact N-O 3.41Å; V443-V457 PolarHBondContact O-N 3.42Å
444L97.1Very high95.1Very high43 Ų4374.7 Ų74.723%0.22537%0.371CS..EExtended strand (participates in β ladder)trans-77.5107.7173.9178.555.4000109.6R446 R454L444-R446 HydrophobicContact CG-CG 4.08Å; L444-R454 HydrophobicContact CD1-CB 4.37Å
445C97.5Very high95Very high0 Ų074.9 Ų74.90%038%0.381CS..EExtended strand (participates in β ladder)trans-92121.9176.6-640000109.2V443 R454 A455 V457V443-C445 PolarHBondContact O-N 2.93Å; C445-R454 CarbonylContact O-C 3.52Å; C445-R454 VanDerWaalsContact O-CA 3.23Å; C445-R454 WeakPolarHBondContact O-CA 3.36Å; C445-A455 WeakPolarHBondContact CB-O 3.43Å; C445-A455 PolarHBondContact N-O 3.14Å; C445-A455 PolarHBondContact O-N 3.17Å; C445-V457 HydrophobicContact CB-CG2 4.22Å
446R97.6Very high95Very high40 Ų4074 Ų7415%0.15138%0.379CS..EExtended strand (participates in β ladder)trans-116.4135.2-180-53.4-178.281-176.13.1110L444 R454 S512 V513 Y518L444-R446 HydrophobicContact CG-CG 4.08Å; R446-R454 HydrophobicContact CG-CB 4.36Å; R446-S512 CarbonylContact O-C 3.58Å; R446-S512 VanDerWaalsContact O-CA 3.23Å; R446-S512 WeakPolarHBondContact O-CA 3.41Å; R446-S512 WeakPolarHBondContact O-CB 3.47Å; R446-V513 HydrophobicContact CB-CG2 4.47Å; R446-V513 PolarHBondContact N-O 2.98Å; R446-V513 VanDerWaalsContact N-O 3.09Å; R446-V513 WeakPolarHBondContact O-CG2 3.38Å; R446-V513 PolarHBondContact O-N 3.15Å; R446-Y518 HydrophobicContact CB-CD2 3.79Å; R446-Y518 HydrophobicContact CB-CE2 4.33Å; R446-Y518 HydrophobicContact CB-CG 4.45Å
447H96.1Very high94.9Very high47 Ų4772.5 Ų72.522%0.21837%0.366CS..  trans-63138.2168.6-172.6-98.2000109.2F449 E450 K453H447-F449 PolarHBondContact ND1-N 2.87Å; H447-F449 PolarHBondContact O-N 2.86Å; H447-F449 VanDerWaalsContact O-N 3.11Å; H447-E450 HydrophobicContact CB-CB 4.27Å; H447-E450 IonicContact CE1-OE1 2.78Å; H447-E450 PolarHBondContact CE1-OE1 3.42Å; H447-E450 VanDerWaalsContact ND1-CB 3.34Å; H447-E450 WeakPolarHBondContact ND1-CB 3.49Å; H447-E450 WeakPolarHBondContact ND1-CG 3.06Å; H447-E450 PolarHBondContact ND1-N 3.27Å; H447-E450 IonicContact ND1-OE1 2.67Å; H447-E450 IonicContact NE2-OE1 3Å; H447-K453 HydrophobicContact CB-CB 3.61Å; H447-K453 VanDerWaalsContact CB-O 3.26Å; H447-K453 WeakPolarHBondContact CB-O 3.47Å; H447-K453 PolarHBondContact N-O 2.83Å
448P93.3Very high94.8Very high4 Ų474.3 Ų74.33%0.02638%0.376CS..SBendtrans-62.1-22.3-174.320.6-33000114.6L394 V513 L521 H522L394-P448 HydrophobicContact CD2-CB 4.01Å; P448-V513 HydrophobicContact CB-CG1 4.08Å; P448-V513 HydrophobicContact CB-CG2 4.36Å; P448-L521 HydrophobicContact CB-CD2 4Å; P448-L521 VanDerWaalsContact O-CD2 3.3Å; P448-L521 WeakPolarHBondContact O-CD2 3.47Å; P448-H522 PolarHBondContact O-CE1 3.03Å
449F90.7Very high94.7Very high39 Ų3970 Ų7017%0.17136%0.356CS..SBendtrans-134.8-6.5-171.6-52.1-64.4000115.2K95 I389 A392 L394 H447 L521 W525K95-F449 HydrophobicContact CD-CE2 4.1Å; I389-F449 HydrophobicContact CG2-CB 3.82Å; I389-F449 HydrophobicContact CG2-CD1 3.51Å; I389-F449 HydrophobicContact CG2-CD2 4.13Å; I389-F449 HydrophobicContact CG2-CE1 4.06Å; I389-F449 HydrophobicContact CG2-CG 3.52Å; A392-F449 HydrophobicContact CB-CZ 4.47Å; L394-F449 HydrophobicContact CD2-CE1 4.37Å; L394-F449 HydrophobicContact CD2-CE2 4.3Å; L394-F449 HydrophobicContact CD2-CZ 3.67Å; H447-F449 PolarHBondContact ND1-N 2.87Å; H447-F449 PolarHBondContact O-N 2.86Å; H447-F449 VanDerWaalsContact O-N 3.11Å; F449-L521 HydrophobicContact CE1-CD2 4.12Å; F449-W525 HydrophobicContact CD1-CH2 4.49Å; F449-W525 AromaticContact CD1-CZ3 3.73Å; F449-W525 HydrophobicContact CD1-CZ3 3.73Å; F449-W525 AromaticContact CE1-CZ3 3.84Å; F449-W525 HydrophobicContact CE1-CZ3 3.84Å
450E91.4Very high94.6Very high83 Ų8365.5 Ų65.539%0.38834%0.337SS..  trans-125.397.2-174.9-66.3-178.3-115.800108.5H447 L452 K453H447-E450 HydrophobicContact CB-CB 4.27Å; H447-E450 IonicContact CE1-OE1 2.78Å; H447-E450 PolarHBondContact CE1-OE1 3.42Å; H447-E450 VanDerWaalsContact ND1-CB 3.34Å; H447-E450 WeakPolarHBondContact ND1-CB 3.49Å; H447-E450 WeakPolarHBondContact ND1-CG 3.06Å; H447-E450 PolarHBondContact ND1-N 3.27Å; H447-E450 IonicContact ND1-OE1 2.67Å; H447-E450 IonicContact NE2-OE1 3Å; E450-L452 PolarHBondContact O-N 3.43Å; E450-L452 VanDerWaalsContact O-N 3.15Å; E450-K453 HydrophobicContact CB-CB 4.19Å; E450-K453 HydrophobicContact CB-CD 4.07Å; E450-K453 HydrophobicContact CB-CG 4.17Å; E450-K453 HydrophobicContact CG-CD 4.49Å; E450-K453 PolarHBondContact O-N 2.91Å; E450-K453 IonicContact OE1-NZ 3.65Å; E450-K453 PolarHBondContact OE1-NZ 2.81Å; E450-K453 VanDerWaalsContact OE2-CD 3.28Å; E450-K453 WeakPolarHBondContact OE2-CD 3.25Å; E450-K453 WeakPolarHBondContact OE2-CE 3.4Å; E450-K453 IonicContact OE2-NZ 3.72Å; E450-K453 PolarHBondContact OE2-NZ 3.2Å
451E87.9Confident94.7Very high127 Ų12769.3 Ų69.359%0.59334%0.338SS*.THydrogen-bonded Turntrans-60.7-32-166.9-45.2-157.1127.100113.7K453 Y518E451-K453 VanDerWaalsContact C-N 3.28Å; E451-K453 PolarHBondContact O-N 3.15Å; E451-Y518 VanDerWaalsContact CG-OH 3.29Å; E451-Y518 WeakPolarHBondContact CG-OH 3.45Å; E451-Y518 PolarHBondContact OE1-OH 3.34Å
452L93Very high94.7Very high170 Ų17065.3 Ų65.389%0.8932%0.322SS*.THydrogen-bonded Turntrans-70-24.2177.6-62.9178.9000112.6E450 R454E450-L452 PolarHBondContact O-N 3.43Å; E450-L452 VanDerWaalsContact O-N 3.15Å; L452-R454 PolarHBondContact O-N 3.15Å; L452-R454 VanDerWaalsContact O-N 3.16Å
453K94.4Very high94.7Very high115 Ų11563 Ų6350%0.531%0.306SS..  trans-86.385.4178.6-70.7-175.5179.9162.20110H447 E450 E451H447-K453 HydrophobicContact CB-CB 3.61Å; H447-K453 VanDerWaalsContact CB-O 3.26Å; H447-K453 WeakPolarHBondContact CB-O 3.47Å; H447-K453 PolarHBondContact N-O 2.83Å; E450-K453 HydrophobicContact CB-CB 4.19Å; E450-K453 HydrophobicContact CB-CD 4.07Å; E450-K453 HydrophobicContact CB-CG 4.17Å; E450-K453 HydrophobicContact CG-CD 4.49Å; E450-K453 PolarHBondContact O-N 2.91Å; E450-K453 IonicContact OE1-NZ 3.65Å; E450-K453 PolarHBondContact OE1-NZ 2.81Å; E450-K453 VanDerWaalsContact OE2-CD 3.28Å; E450-K453 WeakPolarHBondContact OE2-CD 3.25Å; E450-K453 WeakPolarHBondContact OE2-CE 3.4Å; E450-K453 IonicContact OE2-NZ 3.72Å; E450-K453 PolarHBondContact OE2-NZ 3.2Å; E451-K453 VanDerWaalsContact C-N 3.28Å; E451-K453 PolarHBondContact O-N 3.15Å
454R95.8Very high94.8Very high159 Ų15964.9 Ų64.960%0.632%0.315SS*.EExtended strand (participates in β ladder)trans-142.3149.717661.9-176.1-176.7174.3-0.8111.5L444 C445 R446 L452L444-R454 HydrophobicContact CD1-CB 4.37Å; C445-R454 CarbonylContact O-C 3.52Å; C445-R454 VanDerWaalsContact O-CA 3.23Å; C445-R454 WeakPolarHBondContact O-CA 3.36Å; R446-R454 HydrophobicContact CG-CB 4.36Å; L452-R454 PolarHBondContact O-N 3.15Å; L452-R454 VanDerWaalsContact O-N 3.16Å
455A95.1Very high94.8Very high51 Ų5163.6 Ų63.642%0.42131%0.308SS..EExtended strand (participates in β ladder)trans-152.2146.1178.700000111.3C445C445-A455 WeakPolarHBondContact CB-O 3.43Å; C445-A455 PolarHBondContact N-O 3.14Å; C445-A455 PolarHBondContact O-N 3.17Å
456H95.8Very high94.8Very high141 Ų14164.4 Ų64.465%0.65331%0.312SS*.EExtended strand (participates in β ladder)trans-79.2125.5163.4-67.798.3000108.6
457V94.9Very high94.7Very high14 Ų1465.9 Ų65.99%0.08532%0.321CS..EExtended strand (participates in β ladder)trans-115.9124.2177.1178.40000107.9L403 I425 N426 P442 V443 C445 P459L403-V457 HydrophobicContact CB-CG1 4.28Å; L403-V457 HydrophobicContact CD1-CB 4.28Å; L403-V457 HydrophobicContact CD1-CG1 3.93Å; I425-V457 HydrophobicContact CD1-CG1 3.69Å; I425-V457 HydrophobicContact CG1-CG1 4.37Å; N426-V457 HydrophobicContact CB-CG2 4.42Å; P442-V457 WeakPolarHBondContact CA-O 3.18Å; V443-V457 HydrophobicContact CG1-CB 4.4Å; V443-V457 WeakPolarHBondContact CG1-O 3.35Å; V443-V457 PolarHBondContact N-O 3.41Å; V443-V457 PolarHBondContact O-N 3.42Å; C445-V457 HydrophobicContact CB-CG2 4.22Å; V457-P459 WeakPolarHBondContact O-CD 3.39Å
458T95.5Very high94.7Very high57 Ų5766 Ų6635%0.3532%0.322SS..  trans-103.193.9169.1-54.50000107.7G440 S460G440-T458 VanDerWaalsContact O-CG2 3.27Å; G440-T458 WeakPolarHBondContact O-CG2 3.32Å; T458-S460 PolarHBondContact O-N 2.87Å
459P95.1Very high94.9Very high1 Ų166.3 Ų66.31%0.00632%0.324CS..  trans-67.6136.4-174.128.6-33.4000110.3L403 Y404 E438 G440 Q441 V457 V462L403-P459 HydrophobicContact CB-CB 4.14Å; L403-P459 HydrophobicContact CD2-CB 4.16Å; L403-P459 HydrophobicContact CD2-CG 4.34Å; Y404-P459 CarbonylContact O-C 3.56Å; Y404-P459 WeakPolarHBondContact O-CA 3.44Å; E438-P459 WeakPolarHBondContact O-CG 3.27Å; G440-P459 PolarHBondContact N-O 2.71Å; Q441-P459 VanDerWaalsContact O-CD 3.32Å; Q441-P459 WeakPolarHBondContact O-CD 3.42Å; V457-P459 WeakPolarHBondContact O-CD 3.39Å; P459-V462 HydrophobicContact CB-CG2 3.77Å; P459-V462 HydrophobicContact CG-CG2 3.61Å
460S93.8Very high95.3Very high17 Ų1764.7 Ų64.712%0.11932%0.317CS..SBendtrans-81.6-24.9169.975.10000111.5Y404 G405 R422 T458Y404-S460 PolarHBondContact O-N 3.23Å; Y404-S460 PolarHBondContact O-OG 3.44Å; G405-S460 PolarHBondContact O-OG 3.02Å; R422-S460 WeakPolarHBondContact CD-OG 3.24Å; R422-S460 VanDerWaalsContact NH1-C 3.33Å; R422-S460 PolarHBondContact NH1-O 2.73Å; R422-S460 PolarHBondContact NH1-OG 2.84Å; T458-S460 PolarHBondContact O-N 2.87Å
461R94.7Very high95.6Very high122 Ų12263.6 Ų63.646%0.4631%0.312SS..EExtended strand (participates in β ladder)trans-146.6141.8174.4176.4-173.7-179.1-160.82.5109.7Y404 E439 V463Y404-R461 HydrophobicContact CD2-CB 4.18Å; Y404-R461 HydrophobicContact CD2-CG 4.13Å; Y404-R461 HydrophobicContact CG-CB 4.33Å; Y404-R461 PolarHBondContact N-O 2.7Å; E439-R461 VanDerWaalsContact OE1-CA 3.24Å; E439-R461 WeakPolarHBondContact OE1-CA 3.48Å; R461-V463 HydrophobicContact CG-CG2 4.29Å
462V96.1Very high96Very high28 Ų2863.3 Ų63.317%0.1731%0.314CS..EExtended strand (participates in β ladder)trans-119.6132176.11780000109.4Y401 L403 P437 E439 P459Y401-V462 HydrophobicContact CD1-CG1 4.01Å; Y401-V462 HydrophobicContact CG-CG1 4.43Å; L403-V462 HydrophobicContact CD2-CG1 4.27Å; L403-V462 HydrophobicContact CD2-CG2 4Å; P437-V462 HydrophobicContact CG-CG1 3.85Å; E439-V462 HydrophobicContact CG-CB 4.23Å; E439-V462 HydrophobicContact CG-CG2 3.95Å; E439-V462 PolarHBondContact OE1-N 3.32Å; E439-V462 VanDerWaalsContact OE1-N 3.07Å; P459-V462 HydrophobicContact CB-CG2 3.77Å; P459-V462 HydrophobicContact CG-CG2 3.61Å
463V97.1Very high96Very high35 Ų3556.3 Ų56.321%0.21228%0.284CS..EExtended strand (participates in β ladder)trans-127120.1175.7178.50000109.6Y401 R402 Y404 R461 L465Y401-V463 CarbonylContact C-O 3.53Å; Y401-V463 VanDerWaalsContact CA-O 3.28Å; Y401-V463 WeakPolarHBondContact CA-O 3.12Å; R402-V463 PolarHBondContact N-O 2.84Å; R402-V463 PolarHBondContact O-N 2.96Å; Y404-V463 HydrophobicContact CD2-CG2 4.25Å; Y404-V463 HydrophobicContact CE2-CB 4.19Å; Y404-V463 HydrophobicContact CE2-CG2 3.63Å; R461-V463 HydrophobicContact CG-CG2 4.29Å; V463-L465 HydrophobicContact CG1-CD2 4.13Å; V463-L465 PolarHBondContact O-N 3.36Å
464N97.8Very high96.1Very high70 Ų7054.6 Ų54.637%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-72.1117.2165.6-173.4-14.7000108.7L400 Y401 Q466L400-N464 PolarHBondContact O-OD1 3.19Å; Y401-N464 HydrophobicContact CD1-CB 3.89Å; Y401-N464 HydrophobicContact CE1-CB 3.82Å; N464-Q466 PolarHBondContact OD1-N 3.25Å; N464-Q466 VanDerWaalsContact OD1-N 3.16Å; N464-Q466 PolarHBondContact OD1-O 2.8Å
465L97.9Very high96.1Very high16 Ų1649.6 Ų49.68%0.08427%0.269CS..  trans-80.5-30-174.6-69.7-176000112.9I86 T90 L400 R402 D427 V463I86-L465 WeakPolarHBondContact CA-O 3.29Å; I86-L465 HydrophobicContact CD1-CB 4.35Å; I86-L465 HydrophobicContact CG1-CB 4.21Å; T90-L465 HydrophobicContact CG2-CD2 4.35Å; L400-L465 HydrophobicContact CD2-CB 3.98Å; L400-L465 HydrophobicContact CD2-CD1 3.74Å; L400-L465 HydrophobicContact CD2-CG 4.43Å; L400-L465 HydrophobicContact CG-CB 4.14Å; L400-L465 HydrophobicContact CG-CD1 3.97Å; L400-L465 HydrophobicContact CG-CG 4.41Å; L400-L465 PolarHBondContact O-N 2.92Å; R402-L465 HydrophobicContact CB-CD1 4.03Å; R402-L465 HydrophobicContact CB-CD2 3.98Å; R402-L465 HydrophobicContact CB-CG 3.98Å; D427-L465 WeakPolarHBondContact OD2-CD1 3.25Å; V463-L465 HydrophobicContact CG1-CD2 4.13Å; V463-L465 PolarHBondContact O-N 3.36Å
466Q96.1Very high96.1Very high16 Ų1652.5 Ų52.58%0.07527%0.272CS..EExtended strand (participates in β ladder)trans-91.7133.8-179.8-71.8-164.5-53.400111.3I86 P97 T100 N464I86-Q466 HydrophobicContact CG1-CG 4.06Å; P97-Q466 PolarHBondContact O-NE2 2.78Å; T100-Q466 PolarHBondContact OG1-NE2 3.17Å; N464-Q466 PolarHBondContact OD1-N 3.25Å; N464-Q466 VanDerWaalsContact OD1-N 3.16Å; N464-Q466 PolarHBondContact OD1-O 2.8Å
467Q95.4Very high95.6Very high72 Ų7250.5 Ų50.534%0.33626%0.263SS..EExtended strand (participates in β ladder)trans-124.6149.3177.2-59.8-173.6-29.100109.9Y84 G85 V469Y84-Q467 CarbonylContact C-O 3.56Å; Y84-Q467 WeakPolarHBondContact CA-O 3.45Å; G85-Q467 PolarHBondContact N-O 2.81Å; G85-Q467 PolarHBondContact O-N 3.27Å; Q467-V469 PolarHBondContact O-N 2.9Å
468L97.5Very high95.3Very high49 Ų4954.7 Ų54.726%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-69113.2171.1-179.771.2000108.8Y84 W470 Q471 K476Y84-L468 HydrophobicContact CD1-CB 4Å; Y84-L468 HydrophobicContact CD1-CD1 4.18Å; Y84-L468 HydrophobicContact CD2-CD1 4.44Å; Y84-L468 HydrophobicContact CE1-CB 3.82Å; Y84-L468 HydrophobicContact CE1-CD1 3.73Å; Y84-L468 HydrophobicContact CE1-CG 4.34Å; Y84-L468 HydrophobicContact CE2-CD1 3.99Å; L468-W470 WeakPolarHBondContact CD1-O 3.05Å; L468-Q471 HydrophobicContact CD1-CB 4.36Å; L468-Q471 HydrophobicContact CD2-CB 4.19Å; L468-K476 HydrophobicContact CD2-CG 4.46Å; L468-K476 HydrophobicContact CG-CG 4.26Å; L468-K476 WeakPolarHBondContact O-CB 3.42Å
469V97.8Very high95.1Very high10 Ų1056.4 Ų56.46%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-110.4-19.7-173.8-68.50000113.2L38 L42 V83 Q467 Q475 K476L38-V469 HydrophobicContact CD1-CG2 4.26Å; L38-V469 HydrophobicContact CD2-CG1 4.25Å; L42-V469 HydrophobicContact CD1-CB 4.34Å; L42-V469 HydrophobicContact CD2-CB 4.29Å; L42-V469 HydrophobicContact CD2-CG2 4.04Å; V83-V469 HydrophobicContact CB-CG2 4.24Å; V83-V469 HydrophobicContact CG1-CG2 4.09Å; V83-V469 VanDerWaalsContact O-CG2 3.24Å; V83-V469 WeakPolarHBondContact O-CG2 3.32Å; V83-V469 PolarHBondContact O-N 3.5Å; Q467-V469 PolarHBondContact O-N 2.9Å; V469-Q475 WeakPolarHBondContact O-CA 3.13Å; V469-K476 PolarHBondContact O-N 2.93Å
470W98.4Very high95Very high5 Ų558.7 Ų58.72%0.01931%0.311CS..EExtended strand (participates in β ladder)trans-141.6132.5177-176.4-90.2000110.6L42 L45 K46 C78 S82 V83 L468 G473 C474 Q475L42-W470 HydrophobicContact CD2-CB 4.04Å; L42-W470 HydrophobicContact CD2-CE3 4.2Å; L45-W470 HydrophobicContact CB-CD2 4.1Å; L45-W470 HydrophobicContact CB-CE3 4.12Å; L45-W470 HydrophobicContact CB-CH2 4.01Å; L45-W470 HydrophobicContact CB-CZ2 3.91Å; L45-W470 HydrophobicContact CB-CZ3 4.09Å; L45-W470 HydrophobicContact CD1-CB 4.28Å; L45-W470 HydrophobicContact CD1-CD2 3.92Å; L45-W470 HydrophobicContact CD1-CE3 4.32Å; L45-W470 HydrophobicContact CD1-CG 3.9Å; K46-W470 HydrophobicContact CB-CH2 4.03Å; K46-W470 HydrophobicContact CB-CZ3 4.16Å; C78-W470 HydrophobicContact CB-CZ2 3.92Å; C78-W470 PolarHBondContact O-NE1 2.85Å; S82-W470 WeakPolarHBondContact CA-O 3.25Å; V83-W470 HydrophobicContact CB-CB 3.73Å; V83-W470 HydrophobicContact CG2-CB 3.92Å; V83-W470 HydrophobicContact CG2-CG 4.26Å; V83-W470 PolarHBondContact N-O 3.21Å; V83-W470 PolarHBondContact O-N 2.61Å; L468-W470 WeakPolarHBondContact CD1-O 3.05Å; W470-G473 VanDerWaalsContact CH2-O 3.22Å; W470-G473 WeakPolarHBondContact CH2-O 3.43Å; W470-G473 VanDerWaalsContact CZ2-CA 3.49Å; W470-G473 WeakPolarHBondContact CZ2-O 3.44Å; W470-C474 WeakPolarHBondContact CA-O 3.4Å; W470-Q475 HydrophobicContact CE3-CB 4.3Å; W470-Q475 HydrophobicContact CZ3-CB 4.42Å
471Q97.9Very high95.1Very high60 Ų6061.9 Ų61.928%0.2833%0.326SS..EExtended strand (participates in β ladder)trans-159144.6171.1-164.3178.439.900110.1L468 G473 C474 K476L468-Q471 HydrophobicContact CD1-CB 4.36Å; L468-Q471 HydrophobicContact CD2-CB 4.19Å; Q471-G473 PolarHBondContact O-N 3.33Å; Q471-C474 PolarHBondContact N-O 2.82Å; Q471-C474 PolarHBondContact O-N 2.88Å; Q471-C474 VanDerWaalsContact O-N 3.07Å; Q471-K476 HydrophobicContact CB-CD 4.24Å
472N95.2Very high95.2Very high121 Ų12156.6 Ų56.665%0.64731%0.308SS*.THydrogen-bonded Turntrans55.734.2175-56.6-28000113.5R79 C474R79-N472 WeakPolarHBondContact O-CA 3.24Å; N472-C474 VanDerWaalsContact C-N 3.31Å; N472-C474 PolarHBondContact O-N 2.93Å
473G94.7Very high95.2Very high24 Ų2459.3 Ų59.325%0.24732%0.321CS..THydrogen-bonded Turntrans81.46.5179.200000115.4W470 Q471W470-G473 VanDerWaalsContact CH2-O 3.22Å; W470-G473 WeakPolarHBondContact CH2-O 3.43Å; W470-G473 VanDerWaalsContact CZ2-CA 3.49Å; W470-G473 WeakPolarHBondContact CZ2-O 3.44Å; Q471-G473 PolarHBondContact O-N 3.33Å
474C95.9Very high95.2Very high78 Ų7859.1 Ų59.153%0.52732%0.32SS..EExtended strand (participates in β ladder)trans-124.9138.3-174-66.30000111.1W470 Q471 N472W470-C474 WeakPolarHBondContact CA-O 3.4Å; Q471-C474 PolarHBondContact N-O 2.82Å; Q471-C474 PolarHBondContact O-N 2.88Å; Q471-C474 VanDerWaalsContact O-N 3.07Å; N472-C474 VanDerWaalsContact C-N 3.31Å; N472-C474 PolarHBondContact O-N 2.93Å
475Q95.8Very high95.2Very high55 Ų5555.9 Ų55.926%0.25730%0.303SS..EExtended strand (participates in β ladder)trans-67.6134.1163.2-174.9175.1-34.100108.9L42 V469 W470 E477L42-Q475 HydrophobicContact CD1-CG 4.03Å; V469-Q475 WeakPolarHBondContact O-CA 3.13Å; W470-Q475 HydrophobicContact CE3-CB 4.3Å; W470-Q475 HydrophobicContact CZ3-CB 4.42Å; Q475-E477 VanDerWaalsContact CG-O 3.22Å; Q475-E477 WeakPolarHBondContact CG-O 3.42Å; Q475-E477 PolarHBondContact NE2-O 2.7Å
476K94.6Very high95.2Very high111 Ų11156.1 Ų56.148%0.48330%0.303SS..SBendtrans-85.6-28.4-174-64-60.4-62.5-177.40114L468 V469 Q471L468-K476 HydrophobicContact CD2-CG 4.46Å; L468-K476 HydrophobicContact CG-CG 4.26Å; L468-K476 WeakPolarHBondContact O-CB 3.42Å; V469-K476 PolarHBondContact O-N 2.93Å; Q471-K476 HydrophobicContact CB-CD 4.24Å
477E85.9Confident95.3Very high100 Ų10062 Ų6247%0.46732%0.324SS..SBendtrans-114.7149.3-180-68.2-64.8148.400110.3Q475Q475-E477 VanDerWaalsContact CG-O 3.22Å; Q475-E477 WeakPolarHBondContact CG-O 3.42Å; Q475-E477 PolarHBondContact NE2-O 2.7Å
478P89.2Confident95.3Very high101 Ų10160.6 Ų60.666%0.65632%0.316SS*.PPolyproline II helixtrans-63.4154.7174.427.9-34.2000111.7E480P478-E480 PolarHBondContact O-N 2.96Å
479V89.8Confident95.3Very high93 Ų9358.3 Ų58.356%0.56430%0.304SS*.PPolyproline II helixtrans-63.7123.8172.7-179.60000108.8Q39Q39-V479 HydrophobicContact CG-CG1 4.05Å
480E93.7Very high95.2Very high49 Ų4962.6 Ų62.623%0.22932%0.319CS..PPolyproline II helixtrans-82.3141.6177.6-54-167.199.400110.9R87 P478 V485 R488R87-E480 IonicContact CZ-OE1 2.83Å; R87-E480 IonicContact NE-OE2 3.93Å; R87-E480 IonicContact NH2-OE1 3.02Å; R87-E480 PolarHBondContact NH2-OE1 2.75Å; R87-E480 IonicContact NH2-OE2 2.68Å; P478-E480 PolarHBondContact O-N 2.96Å; E480-V485 HydrophobicContact CB-CG2 3.99Å; E480-R488 IonicContact OE1-CZ 3.82Å; E480-R488 IonicContact OE1-NH1 3.84Å; E480-R488 IonicContact OE1-NH2 3.35Å; E480-R488 PolarHBondContact OE1-NH2 2.75Å; E480-R488 IonicContact OE2-CZ 3.11Å; E480-R488 VanDerWaalsContact OE2-CZ 3.26Å; E480-R488 IonicContact OE2-NH1 2.71Å; E480-R488 PolarHBondContact OE2-NH1 2.78Å; E480-R488 IonicContact OE2-NH2 3.91Å; E480-R488 PolarHBondContact OE2-NH2 2.82Å
481D95Very high95Very high84 Ų8466 Ų6645%0.44934%0.338SS..PPolyproline II helixtrans-70.6153.6172.771.688.8000111.4L483 T484 V485D481-L483 PolarHBondContact O-N 2.91Å; D481-L483 WeakPolarHBondContact OD1-CA 3.46Å; D481-L483 VanDerWaalsContact OD1-CB 3.23Å; D481-L483 WeakPolarHBondContact OD1-CB 3.44Å; D481-L483 PolarHBondContact OD1-N 3.44Å; D481-T484 PolarHBondContact O-N 2.81Å; D481-T484 VanDerWaalsContact O-N 3.15Å; D481-T484 PolarHBondContact OD1-N 2.9Å; D481-T484 PolarHBondContact OD1-OG1 2.93Å; D481-T484 VanDerWaalsContact OD2-CB 3.23Å; D481-T484 WeakPolarHBondContact OD2-CB 3.29Å; D481-T484 PolarHBondContact OD2-OG1 2.8Å; D481-V485 PolarHBondContact O-N 3.31Å
482V96.9Very high94.8Very high11 Ų1163.8 Ų63.87%0.06733%0.329CS..Hα-helixtrans-61.9-26.6-176-63.90000113.3R161 Y164 I165 W180 I182 K486R161-V482 HydrophobicContact CG-CG1 4.08Å; Y164-V482 HydrophobicContact CD1-CB 4.26Å; Y164-V482 HydrophobicContact CD1-CG2 4.02Å; Y164-V482 HydrophobicContact CE1-CG2 3.98Å; I165-V482 HydrophobicContact CD1-CG1 4.34Å; I165-V482 HydrophobicContact CG1-CB 4.23Å; W180-V482 HydrophobicContact CB-CG1 4.04Å; W180-V482 HydrophobicContact CB-CG2 4Å; W180-V482 HydrophobicContact CG-CG1 3.99Å; I182-V482 HydrophobicContact CG1-CG2 4.23Å; V482-K486 VanDerWaalsContact O-CB 3.3Å; V482-K486 WeakPolarHBondContact O-CB 3.36Å; V482-K486 PolarHBondContact O-N 2.87Å
483L96.1Very high94.8Very high86 Ų8659.4 Ų59.445%0.4530%0.304SS..Hα-helixtrans-75.1-37.4178.6-17867000111.1D481 K486 R487D481-L483 PolarHBondContact O-N 2.91Å; D481-L483 WeakPolarHBondContact OD1-CA 3.46Å; D481-L483 VanDerWaalsContact OD1-CB 3.23Å; D481-L483 WeakPolarHBondContact OD1-CB 3.44Å; D481-L483 PolarHBondContact OD1-N 3.44Å; L483-K486 PolarHBondContact O-N 3.1Å; L483-R487 WeakPolarHBondContact O-CG 3.23Å; L483-R487 PolarHBondContact O-N 3.1Å
484T97.3Very high94.7Very high30 Ų3062.7 Ų62.718%0.18431%0.309CS..Hα-helixtrans-62.1-44.8171.7-67.10000111.5D481 R487 R488D481-T484 PolarHBondContact O-N 2.81Å; D481-T484 VanDerWaalsContact O-N 3.15Å; D481-T484 PolarHBondContact OD1-N 2.9Å; D481-T484 PolarHBondContact OD1-OG1 2.93Å; D481-T484 VanDerWaalsContact OD2-CB 3.23Å; D481-T484 WeakPolarHBondContact OD2-CB 3.29Å; D481-T484 PolarHBondContact OD2-OG1 2.8Å; T484-R487 PolarHBondContact O-N 3.21Å; T484-R487 PolarHBondContact OG1-NH2 3.07Å; T484-R488 PolarHBondContact O-N 2.8Å; T484-R488 VanDerWaalsContact O-N 3.08Å
485V98.1Very high94.5Very high3 Ų359.5 Ų59.52%0.01829%0.287CS..Hα-helixtrans-65.5-41.3175.5-1720000111.3E88 I165 E480 D481 R487 R488 V489E88-V485 HydrophobicContact CB-CG1 3.77Å; I165-V485 HydrophobicContact CD1-CB 4.24Å; I165-V485 HydrophobicContact CD1-CG1 4.11Å; I165-V485 HydrophobicContact CG1-CB 4.25Å; I165-V485 HydrophobicContact CG1-CG1 4.29Å; I165-V485 HydrophobicContact CG2-CB 4.33Å; I165-V485 HydrophobicContact CG2-CG1 3.63Å; E480-V485 HydrophobicContact CB-CG2 3.99Å; D481-V485 PolarHBondContact O-N 3.31Å; V485-R487 VanDerWaalsContact C-N 3.33Å; V485-R487 PolarHBondContact O-N 2.84Å; V485-R488 WeakPolarHBondContact O-CB 3.26Å; V485-R488 PolarHBondContact O-N 2.73Å; V485-R488 VanDerWaalsContact O-N 3.12Å; V485-V489 PolarHBondContact O-N 3.19Å
486K98Very high94.4Very high21 Ų2157 Ų579%0.09128%0.276CS..Hα-helixtrans-58.3-41.5174.3-175.2178.2-179.9178.10112.4Y164 F168 D169 V482 L483 V489 R490Y164-K486 HydrophobicContact CD1-CD 4.19Å; Y164-K486 HydrophobicContact CE1-CD 3.85Å; Y164-K486 HydrophobicContact CE2-CD 4.42Å; Y164-K486 VanDerWaalsContact O-CD 3.32Å; Y164-K486 WeakPolarHBondContact O-CD 3.46Å; F168-K486 WeakPolarHBondContact O-CE 3.38Å; F168-K486 PolarHBondContact O-NZ 3.46Å; D169-K486 IonicContact OD1-NZ 2.69Å; D169-K486 PolarHBondContact OD1-NZ 3.29Å; V482-K486 VanDerWaalsContact O-CB 3.3Å; V482-K486 WeakPolarHBondContact O-CB 3.36Å; V482-K486 PolarHBondContact O-N 2.87Å; L483-K486 PolarHBondContact O-N 3.1Å; K486-V489 WeakPolarHBondContact O-CB 3.45Å; K486-V489 PolarHBondContact O-N 3.47Å; K486-R490 PolarHBondContact O-N 2.68Å
487R97.1Very high94.2Very high138 Ų13856.1 Ų56.152%0.52127%0.269SS..Hα-helixtrans-61.9-44.5174.2-74.4-177.3-68.1168.50.1111.2L483 T484 V485 V489 R490 D491L483-R487 WeakPolarHBondContact O-CG 3.23Å; L483-R487 PolarHBondContact O-N 3.1Å; T484-R487 PolarHBondContact O-N 3.21Å; T484-R487 PolarHBondContact OG1-NH2 3.07Å; V485-R487 VanDerWaalsContact C-N 3.33Å; V485-R487 PolarHBondContact O-N 2.84Å; R487-V489 VanDerWaalsContact C-N 3.31Å; R487-V489 PolarHBondContact O-N 2.91Å; R487-R490 PolarHBondContact O-N 3.01Å; R487-R490 VanDerWaalsContact O-N 3.11Å; R487-D491 PolarHBondContact O-N 3.04Å
488R96.3Very high94.4Very high43 Ų4355.5 Ų55.516%0.16228%0.276CS..Hα-helixtrans-60.1-39175.6-169.9178.3-52.9107.99.8112.8E88 G89 E480 T484 V485 R490 D491 S492E88-R488 VanDerWaalsContact O-CD 3.28Å; E88-R488 WeakPolarHBondContact O-CD 3.46Å; E88-R488 PolarHBondContact O-NH1 3.5Å; G89-R488 CarbonylContact O-C 3.53Å; E480-R488 IonicContact OE1-CZ 3.82Å; E480-R488 IonicContact OE1-NH1 3.84Å; E480-R488 IonicContact OE1-NH2 3.35Å; E480-R488 PolarHBondContact OE1-NH2 2.75Å; E480-R488 IonicContact OE2-CZ 3.11Å; E480-R488 VanDerWaalsContact OE2-CZ 3.26Å; E480-R488 IonicContact OE2-NH1 2.71Å; E480-R488 PolarHBondContact OE2-NH1 2.78Å; E480-R488 IonicContact OE2-NH2 3.91Å; E480-R488 PolarHBondContact OE2-NH2 2.82Å; T484-R488 PolarHBondContact O-N 2.8Å; T484-R488 VanDerWaalsContact O-N 3.08Å; V485-R488 WeakPolarHBondContact O-CB 3.26Å; V485-R488 PolarHBondContact O-N 2.73Å; V485-R488 VanDerWaalsContact O-N 3.12Å; R488-R490 VanDerWaalsContact C-N 3.33Å; R488-R490 PolarHBondContact O-N 3.35Å; R488-D491 PolarHBondContact O-N 2.64Å; R488-S492 WeakPolarHBondContact O-CB 3.43Å; R488-S492 PolarHBondContact O-N 3.21Å
489V98Very high94.5Very high1 Ų152.2 Ų52.21%0.00625%0.253CS..Hα-helixtrans-55.6-50.1173.2169.40000110.8I34 G89 M130 I165 V485 K486 R487 D491 F493I34-V489 HydrophobicContact CD1-CG1 3.58Å; I34-V489 HydrophobicContact CG1-CG1 4.4Å; I34-V489 HydrophobicContact CG2-CG2 3.8Å; G89-V489 VanDerWaalsContact O-CA 3.23Å; G89-V489 WeakPolarHBondContact O-CA 3.48Å; G89-V489 PolarHBondContact O-N 2.82Å; M130-V489 HydrophobicContact SD-CG1 4.49Å; I165-V489 HydrophobicContact CG2-CG2 3.73Å; I165-V489 WeakPolarHBondContact O-CG2 3.44Å; V485-V489 PolarHBondContact O-N 3.19Å; K486-V489 WeakPolarHBondContact O-CB 3.45Å; K486-V489 PolarHBondContact O-N 3.47Å; R487-V489 VanDerWaalsContact C-N 3.31Å; R487-V489 PolarHBondContact O-N 2.91Å; V489-D491 PolarHBondContact O-N 2.81Å; V489-F493 WeakPolarHBondContact O-CB 3.34Å; V489-F493 PolarHBondContact O-N 3.04Å
490R95.3Very high94.7Very high100 Ų10048.1 Ų48.138%0.37723%0.228SC..Hα-helixtrans-62.5-44.7-179.5-64.3178.278.7-179.95.6111.7E138 K486 R487 R488 F493 R494E138-R490 IonicContact OE2-CZ 3.04Å; E138-R490 IonicContact OE2-NE 3.54Å; E138-R490 IonicContact OE2-NH2 2.85Å; E138-R490 PolarHBondContact OE2-NH2 2.97Å; K486-R490 PolarHBondContact O-N 2.68Å; R487-R490 PolarHBondContact O-N 3.01Å; R487-R490 VanDerWaalsContact O-N 3.11Å; R488-R490 VanDerWaalsContact C-N 3.33Å; R488-R490 PolarHBondContact O-N 3.35Å; R490-F493 PolarHBondContact O-N 2.7Å; R490-R494 VanDerWaalsContact O-CG 3.28Å; R490-R494 WeakPolarHBondContact O-CG 3.49Å; R490-R494 PolarHBondContact O-N 2.87Å
491D93.8Very high94.7Very high78 Ų7846.3 Ų46.342%0.41722%0.221SC..Hα-helixtrans-69.5-44.9-178.6-65.3-20.9000111.6R487 R488 V489 F493 R494 S495R487-D491 PolarHBondContact O-N 3.04Å; R488-D491 PolarHBondContact O-N 2.64Å; V489-D491 PolarHBondContact O-N 2.81Å; D491-F493 VanDerWaalsContact C-N 3.3Å; D491-F493 PolarHBondContact O-N 2.96Å; D491-R494 PolarHBondContact O-N 2.71Å; D491-S495 WeakPolarHBondContact O-CB 3.28Å; D491-S495 PolarHBondContact O-N 2.83Å
492S94.7Very high94.6Very high12 Ų1248 Ų488%0.08422%0.221CC..Hα-helixtrans-60.8-43.3176.1-172.50000110.4I91 R488 S495 I496I91-S492 PolarHBondContact N-OG 2.98Å; R488-S492 WeakPolarHBondContact O-CB 3.43Å; R488-S492 PolarHBondContact O-N 3.21Å; S492-S495 WeakPolarHBondContact O-CB 2.93Å; S492-S495 PolarHBondContact O-N 3.3Å; S492-S495 PolarHBondContact O-OG 3.03Å; S492-I496 WeakPolarHBondContact O-CG1 2.9Å; S492-I496 PolarHBondContact O-N 3.37Å
493F94.4Very high94.2Very high30 Ų3052.5 Ų52.513%0.13224%0.236CC..Hα-helixtrans-62.4-45.2177.9-176.9-87.7000112.2F32 I91 M130 Q134 V489 R490 D491 S495 I496 T501F32-F493 HydrophobicContact CE1-CE2 4.01Å; F32-F493 HydrophobicContact CE2-CD2 4.36Å; F32-F493 HydrophobicContact CE2-CE2 4.25Å; F32-F493 HydrophobicContact CZ-CD2 4.38Å; F32-F493 AromaticContact CZ-CE2 3.83Å; F32-F493 HydrophobicContact CZ-CE2 3.83Å; I91-F493 HydrophobicContact CD1-CD2 4.19Å; I91-F493 HydrophobicContact CG1-CB 4.48Å; M130-F493 HydrophobicContact CE-CB 4.34Å; M130-F493 HydrophobicContact CE-CD1 3.51Å; M130-F493 HydrophobicContact CE-CD2 3.7Å; M130-F493 HydrophobicContact CE-CE1 3.67Å; M130-F493 HydrophobicContact CE-CE2 3.85Å; M130-F493 HydrophobicContact CE-CG 3.55Å; M130-F493 HydrophobicContact CE-CZ 3.87Å; M130-F493 HydrophobicContact CG-CD2 3.94Å; M130-F493 HydrophobicContact CG-CE2 4.19Å; M130-F493 HydrophobicContact SD-CD2 4.47Å; Q134-F493 HydrophobicContact CG-CE2 4.48Å; Q134-F493 HydrophobicContact CG-CZ 4.06Å; V489-F493 WeakPolarHBondContact O-CB 3.34Å; V489-F493 PolarHBondContact O-N 3.04Å; R490-F493 PolarHBondContact O-N 2.7Å; D491-F493 VanDerWaalsContact C-N 3.3Å; D491-F493 PolarHBondContact O-N 2.96Å; F493-S495 PolarHBondContact O-N 2.76Å; F493-I496 PolarHBondContact O-N 2.8Å; F493-I496 VanDerWaalsContact O-N 3.12Å; F493-T501 HydrophobicContact CD2-CG2 4.24Å; F493-T501 HydrophobicContact CE2-CG2 3.66Å; F493-T501 VanDerWaalsContact CZ-CB 3.48Å; F493-T501 HydrophobicContact CZ-CG2 3.8Å
494R91.8Very high93.8Very high93 Ų9354.8 Ų54.835%0.35125%0.248SC..Hα-helixtrans-63.9-23.8176-73.5170.5178.6175.4-1113.8T409 Y421 R490 D491 I496T409-R494 PolarHBondContact OG1-O 3.02Å; Y421-R494 HydrophobicContact CD2-CB 4.18Å; Y421-R494 HydrophobicContact CE2-CB 4.24Å; R490-R494 VanDerWaalsContact O-CG 3.28Å; R490-R494 WeakPolarHBondContact O-CG 3.49Å; R490-R494 PolarHBondContact O-N 2.87Å; D491-R494 PolarHBondContact O-N 2.71Å; R494-I496 VanDerWaalsContact C-N 3.31Å
495S91.8Very high93.4Very high10 Ų1059.4 Ų59.47%0.0727%0.272CS..THydrogen-bonded Turntrans-81.1-9.8177.485.40000113.6C423 A424 D491 S492 F493C423-S495 CarbonylContact C-O 3.55Å; C423-S495 VanDerWaalsContact CA-O 3.3Å; C423-S495 WeakPolarHBondContact CA-O 3.45Å; A424-S495 PolarHBondContact N-O 3.28Å; D491-S495 WeakPolarHBondContact O-CB 3.28Å; D491-S495 PolarHBondContact O-N 2.83Å; S492-S495 WeakPolarHBondContact O-CB 2.93Å; S492-S495 PolarHBondContact O-N 3.3Å; S492-S495 PolarHBondContact O-OG 3.03Å; F493-S495 PolarHBondContact O-N 2.76Å
496I93.8Very high93.3Very high3 Ų360 Ų602%0.01528%0.276CS..BIsolated β-bridgetrans-93.6143.9173.7-54.4-50.6000109.2I91 F93 A424 S492 F493 R494 N500 T501I91-I496 HydrophobicContact CB-CD1 4.39Å; I91-I496 HydrophobicContact CB-CG1 3.97Å; I91-I496 HydrophobicContact CG1-CG1 4.16Å; I91-I496 HydrophobicContact CG2-CD1 4.29Å; I91-I496 HydrophobicContact CG2-CG1 3.83Å; F93-I496 HydrophobicContact CE2-CD1 4.27Å; F93-I496 HydrophobicContact CZ-CD1 3.99Å; F93-I496 HydrophobicContact CZ-CG1 4.36Å; F93-I496 HydrophobicContact CZ-CG2 4.24Å; A424-I496 HydrophobicContact CB-CD1 3.71Å; S492-I496 WeakPolarHBondContact O-CG1 2.9Å; S492-I496 PolarHBondContact O-N 3.37Å; F493-I496 PolarHBondContact O-N 2.8Å; F493-I496 VanDerWaalsContact O-N 3.12Å; R494-I496 VanDerWaalsContact C-N 3.31Å; I496-N500 HydrophobicContact CG2-CB 3.75Å; I496-T501 HydrophobicContact CB-CG2 3.85Å; I496-T501 HydrophobicContact CG2-CG2 3.68Å
497R91.5Very high93.2Very high92 Ų9261.3 Ų61.335%0.34729%0.286SS..  trans-65.5144.7179.1-60166.340.9146.7-4.9111.2C423 D499 N500 T501C423-R497 HydrophobicContact CB-CG 3.64Å; R497-D499 WeakPolarHBondContact CB-OD1 3.32Å; R497-D499 IonicContact CZ-OD1 2.72Å; R497-D499 IonicContact CZ-OD2 3.79Å; R497-D499 IonicContact NE-OD1 2.6Å; R497-D499 PolarHBondContact NE-OD1 2.72Å; R497-D499 IonicContact NE-OD2 2.67Å; R497-D499 IonicContact NH2-OD1 2.8Å; R497-D499 PolarHBondContact NH2-OD1 2.8Å; R497-D499 IonicContact NH2-OD2 2.75Å; R497-D499 PolarHBondContact NH2-OD2 3.35Å; R497-D499 PolarHBondContact O-N 3.34Å; R497-N500 PolarHBondContact O-N 3.3Å; R497-T501 PolarHBondContact O-N 3.11Å
498S90Very high93Very high87 Ų8758.6 Ų58.661%0.60829%0.286SS*.Hα-helixtrans-62.4-26.5-176.956.10000113.9N500 T501 R502S498-N500 VanDerWaalsContact C-N 3.32Å; S498-T501 WeakPolarHBondContact CA-OG1 3.44Å; S498-T501 PolarHBondContact O-N 3.26Å; S498-T501 PolarHBondContact O-OG1 2.85Å; S498-R502 WeakPolarHBondContact O-CB 3.3Å; S498-R502 PolarHBondContact O-N 3.49Å
499D91.7Very high93Very high33 Ų3357.6 Ų57.618%0.17628%0.282CS..Hα-helixtrans-69.7-27.7175.261.1-43.5000112.8R497 T507R497-D499 WeakPolarHBondContact CB-OD1 3.32Å; R497-D499 IonicContact CZ-OD1 2.72Å; R497-D499 IonicContact CZ-OD2 3.79Å; R497-D499 IonicContact NE-OD1 2.6Å; R497-D499 PolarHBondContact NE-OD1 2.72Å; R497-D499 IonicContact NE-OD2 2.67Å; R497-D499 IonicContact NH2-OD1 2.8Å; R497-D499 PolarHBondContact NH2-OD1 2.8Å; R497-D499 IonicContact NH2-OD2 2.75Å; R497-D499 PolarHBondContact NH2-OD2 3.35Å; R497-D499 PolarHBondContact O-N 3.34Å; D499-T507 PolarHBondContact O-N 3.05Å
500N94.3Very high92.9Very high7 Ų763.4 Ų63.44%0.03731%0.307CS..Hα-helixtrans-80.2-31.4172-54120.8000112I496 R497 S498 P506 T507I496-N500 HydrophobicContact CG2-CB 3.75Å; R497-N500 PolarHBondContact O-N 3.3Å; S498-N500 VanDerWaalsContact C-N 3.32Å; N500-P506 WeakPolarHBondContact O-CB 3.33Å; N500-T507 PolarHBondContact ND2-O 2.6Å
501T93.9Very high93Very high11 Ų1159.5 Ų59.57%0.06729%0.294CS..Hα-helixtrans-95.8-2.7-174.664.80000114.6F32 Q134 F493 I496 R497 S498F32-T501 HydrophobicContact CD1-CG2 4.37Å; Q134-T501 PolarHBondContact NE2-O 2.79Å; F493-T501 HydrophobicContact CD2-CG2 4.24Å; F493-T501 HydrophobicContact CE2-CG2 3.66Å; F493-T501 VanDerWaalsContact CZ-CB 3.48Å; F493-T501 HydrophobicContact CZ-CG2 3.8Å; I496-T501 HydrophobicContact CB-CG2 3.85Å; I496-T501 HydrophobicContact CG2-CG2 3.68Å; R497-T501 PolarHBondContact O-N 3.11Å; S498-T501 WeakPolarHBondContact CA-OG1 3.44Å; S498-T501 PolarHBondContact O-N 3.26Å; S498-T501 PolarHBondContact O-OG1 2.85Å
502R91.9Very high93.2Very high120 Ų12056.2 Ų56.245%0.45328%0.277SS..  trans-64.8151.2179.666.3-177.8-179-162.2-3.8111.5S498 L504 N505 P506S498-R502 WeakPolarHBondContact O-CB 3.3Å; S498-R502 PolarHBondContact O-N 3.49Å; R502-L504 PolarHBondContact NE-O 3.46Å; R502-N505 PolarHBondContact NE-O 2.85Å; R502-N505 PolarHBondContact NH2-O 3.27Å; R502-P506 HydrophobicContact CG-CB 3.99Å; R502-P506 WeakPolarHBondContact O-CB 3.32Å
503R87.7Confident93.3Very high105 Ų10555.6 Ų55.640%0.39627%0.273SS..SBendtrans-77-33.8-172.6-66179.2-68.5164.81.8113.8A135 S341A135-R503 VanDerWaalsContact CA-NH1 3.34Å; S341-R503 PolarHBondContact OG-NH1 3.28Å
504L87.8Confident93.5Very high134 Ų13454.5 Ų54.570%0.70227%0.269SS*.SBendtrans-112.2128.7-177.6-171.968.8000109.5R502 P506R502-L504 PolarHBondContact NE-O 3.46Å; L504-P506 VanDerWaalsContact C-CD 3.42Å
505N90.8Very high93.7Very high127 Ų12752.5 Ų52.568%0.67927%0.268SS*.SBendtrans46.549.3-178.8-60.2-25.3000114.2R502R502-N505 PolarHBondContact NE-O 2.85Å; R502-N505 PolarHBondContact NH2-O 3.27Å
506P95.1Very high93.8Very high16 Ų1654.2 Ų54.210%0.10428%0.283CS..PPolyproline II helixtrans-56.7145.9177.121.2-29000113E31 N500 R502 L504E31-P506 HydrophobicContact CB-CB 3.86Å; E31-P506 HydrophobicContact CB-CG 4.14Å; E31-P506 HydrophobicContact CG-CB 3.73Å; E31-P506 HydrophobicContact CG-CG 3.75Å; N500-P506 WeakPolarHBondContact O-CB 3.33Å; R502-P506 HydrophobicContact CG-CB 3.99Å; R502-P506 WeakPolarHBondContact O-CB 3.32Å; L504-P506 VanDerWaalsContact C-CD 3.42Å
507T94.8Very high94Very high48 Ų4854.1 Ų54.129%0.29428%0.283SS..PPolyproline II helixtrans-73.8130174.6-58.40000109.3D499 N500 Y509D499-T507 PolarHBondContact O-N 3.05Å; N500-T507 PolarHBondContact ND2-O 2.6Å; T507-Y509 PolarHBondContact O-N 2.9Å
508P94.6Very high94.2Very high80 Ų8050.2 Ų50.252%0.51927%0.268SS..PPolyproline II helixtrans-57.7135.5175.7-26.534.8000112.8E31E31-P508 WeakPolarHBondContact OE2-CA 3.35Å
509Y95.8Very high94.3Very high23 Ų2350.7 Ų50.79%0.0926%0.264CS..PPolyproline II helixtrans-74.5148.2173.4-168.3-94.1000110.9F93 A424 N426 D427 T507F93-Y509 HydrophobicContact CB-CD1 4.24Å; F93-Y509 AromaticContact CD1-CD1 3.89Å; F93-Y509 HydrophobicContact CD1-CD1 3.89Å; F93-Y509 AromaticContact CD1-CG 3.7Å; F93-Y509 HydrophobicContact CD1-CG 3.7Å; F93-Y509 AromaticContact CD2-CD1 3.2Å; F93-Y509 HydrophobicContact CD2-CD1 3.2Å; F93-Y509 HydrophobicContact CD2-CD2 4.49Å; F93-Y509 AromaticContact CD2-CE1 3.48Å; F93-Y509 HydrophobicContact CD2-CE1 3.48Å; F93-Y509 VanDerWaalsContact CD2-CE1 3.48Å; F93-Y509 AromaticContact CD2-CG 3.76Å; F93-Y509 HydrophobicContact CD2-CG 3.76Å; F93-Y509 AromaticContact CE1-CD1 3.98Å; F93-Y509 HydrophobicContact CE1-CD1 3.98Å; F93-Y509 AromaticContact CE1-CD2 3.89Å; F93-Y509 HydrophobicContact CE1-CD2 3.89Å; F93-Y509 AromaticContact CE1-CG 3.46Å; F93-Y509 HydrophobicContact CE1-CG 3.46Å; F93-Y509 VanDerWaalsContact CE1-CG 3.46Å; F93-Y509 AromaticContact CE2-CD1 3.3Å; F93-Y509 HydrophobicContact CE2-CD1 3.3Å; F93-Y509 AromaticContact CE2-CD2 3.8Å; F93-Y509 HydrophobicContact CE2-CD2 3.8Å; F93-Y509 AromaticContact CE2-CE1 3.36Å; F93-Y509 HydrophobicContact CE2-CE1 3.36Å; F93-Y509 AromaticContact CE2-CE2 3.86Å; F93-Y509 HydrophobicContact CE2-CE2 3.86Å; F93-Y509 AromaticContact CE2-CG 3.51Å; F93-Y509 HydrophobicContact CE2-CG 3.51Å; F93-Y509 AromaticContact CE2-CZ 3.64Å; F93-Y509 AromaticContact CG-CD1 3.5Å; F93-Y509 HydrophobicContact CG-CD1 3.5Å; F93-Y509 VanDerWaalsContact CG-CD1 3.5Å; F93-Y509 HydrophobicContact CG-CE1 4.24Å; F93-Y509 AromaticContact CG-CG 3.83Å; F93-Y509 HydrophobicContact CG-CG 3.83Å; F93-Y509 AromaticContact CZ-CD1 3.7Å; F93-Y509 HydrophobicContact CZ-CD1 3.7Å; F93-Y509 AromaticContact CZ-CD2 3.45Å; F93-Y509 HydrophobicContact CZ-CD2 3.45Å; F93-Y509 VanDerWaalsContact CZ-CD2 3.45Å; F93-Y509 HydrophobicContact CZ-CE1 4.06Å; F93-Y509 AromaticContact CZ-CE2 3.85Å; F93-Y509 HydrophobicContact CZ-CE2 3.85Å; F93-Y509 AromaticContact CZ-CG 3.35Å; F93-Y509 HydrophobicContact CZ-CG 3.35Å; A424-Y509 HydrophobicContact CB-CE2 4.22Å; A424-Y509 VanDerWaalsContact CB-OH 3.31Å; A424-Y509 WeakPolarHBondContact CB-OH 3.47Å; N426-Y509 PolarHBondContact N-OH 2.64Å; D427-Y509 HydrophobicContact CB-CE1 3.89Å; D427-Y509 VanDerWaalsContact OD1-CE1 3.27Å; D427-Y509 WeakPolarHBondContact OD1-CE1 3.29Å; D427-Y509 PolarHBondContact OD1-OH 2.88Å; T507-Y509 PolarHBondContact O-N 2.9Å
510K95.9Very high94.4Very high123 Ų12351.3 Ų51.354%0.53527%0.265SS..  trans-93.8108.2-172.9-63.8168.6-172.21570110.2N426 D427N426-K510 WeakPolarHBondContact CA-O 3.23Å; D427-K510 PolarHBondContact N-O 3.13Å
511L96.4Very high94.3Very high18 Ų1851 Ų519%0.09426%0.264CS..EExtended strand (participates in β ladder)trans-93129161.3-176.171.4000109.2P94 K95 E96 L400 D427 L429P94-L511 VanDerWaalsContact O-CD2 3.28Å; P94-L511 WeakPolarHBondContact O-CD2 3.46Å; K95-L511 HydrophobicContact CB-CD2 3.68Å; E96-L511 HydrophobicContact CG-CD1 3.8Å; L400-L511 HydrophobicContact CD1-CD1 4.28Å; D427-L511 HydrophobicContact CB-CD1 4.05Å; D427-L511 CarbonylContact O-C 3.01Å; D427-L511 WeakPolarHBondContact O-CA 3.47Å; L429-L511 HydrophobicContact CD1-CD1 4.04Å; L429-L511 HydrophobicContact CD1-CD2 3.95Å; L429-L511 HydrophobicContact CD1-CG 4.25Å; L429-L511 HydrophobicContact CG-CD1 4.07Å
512S98Very high94.1Very high8 Ų852.8 Ų52.86%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-127.4162.1179-63.60000111.3N426 D427 L428 L429 R446N426-S512 PolarHBondContact ND2-OG 2.92Å; N426-S512 WeakPolarHBondContact OD1-CB 3.23Å; N426-S512 PolarHBondContact OD1-OG 2.84Å; D427-S512 PolarHBondContact O-N 2.82Å; L428-S512 WeakPolarHBondContact CA-O 3.42Å; L429-S512 PolarHBondContact N-O 3.09Å; R446-S512 CarbonylContact O-C 3.58Å; R446-S512 VanDerWaalsContact O-CA 3.23Å; R446-S512 WeakPolarHBondContact O-CA 3.41Å; R446-S512 WeakPolarHBondContact O-CB 3.47Å
513V97.9Very high94Very high0 Ų052.5 Ų52.50%028%0.275CS..EExtended strand (participates in β ladder)trans-115.7152.2170.7-65.20000109.5L429 R446 P448 F517 Y518L429-V513 HydrophobicContact CB-CG1 4.12Å; L429-V513 CarbonylContact O-C 3.56Å; L429-V513 VanDerWaalsContact O-CA 3.29Å; L429-V513 WeakPolarHBondContact O-CA 3.35Å; R446-V513 HydrophobicContact CB-CG2 4.47Å; R446-V513 PolarHBondContact N-O 2.98Å; R446-V513 VanDerWaalsContact N-O 3.09Å; R446-V513 WeakPolarHBondContact O-CG2 3.38Å; R446-V513 PolarHBondContact O-N 3.15Å; P448-V513 HydrophobicContact CB-CG1 4.08Å; P448-V513 HydrophobicContact CB-CG2 4.36Å; V513-F517 HydrophobicContact CB-CB 4.1Å; V513-F517 HydrophobicContact CB-CD1 4.4Å; V513-F517 HydrophobicContact CB-CG 4.11Å; V513-F517 HydrophobicContact CG1-CD1 4.26Å; V513-F517 HydrophobicContact CG1-CD2 4.43Å; V513-F517 HydrophobicContact CG1-CG 4.21Å; V513-Y518 HydrophobicContact CG2-CD2 4.04Å; V513-Y518 HydrophobicContact CG2-CG 4.48Å
514S97.7Very high94Very high7 Ų748 Ų485%0.04926%0.258CS..  trans-65167.9171.872.50000111.6L429 E434 F517 Y518L429-S514 PolarHBondContact O-N 2.82Å; E434-S514 PolarHBondContact OE1-OG 2.8Å; E434-S514 VanDerWaalsContact OE2-CB 3.23Å; E434-S514 WeakPolarHBondContact OE2-CB 3.37Å; E434-S514 PolarHBondContact OE2-OG 2.82Å; S514-F517 VanDerWaalsContact OG-CB 3.32Å; S514-F517 WeakPolarHBondContact OG-CB 3.5Å; S514-F517 PolarHBondContact OG-N 3.39Å; S514-F517 VanDerWaalsContact OG-N 3.13Å; S514-Y518 VanDerWaalsContact O-CB 3.29Å; S514-Y518 WeakPolarHBondContact O-CB 3.4Å; S514-Y518 PolarHBondContact O-N 3.15Å
515C95.5Very high93.9Very high50 Ų5044.3 Ų44.334%0.33824%0.235SC..Hα-helixtrans-61.3-44175-69.80000112.9Y518 N519C515-Y518 PolarHBondContact O-N 3.44Å; C515-N519 VanDerWaalsContact O-CG 3.28Å; C515-N519 PolarHBondContact O-N 2.93Å; C515-N519 VanDerWaalsContact O-N 3.07Å; C515-N519 PolarHBondContact O-ND2 2.93Å
516A95.6Very high93.7Very high47 Ų4745 Ų4539%0.38824%0.238SC..Hα-helixtrans-66.7-43.4-179.200000110.8E434 N519 H520E434-A516 HydrophobicContact CG-CB 4.33Å; E434-A516 WeakPolarHBondContact OE2-CB 3.31Å; A516-N519 PolarHBondContact O-N 3.49Å; A516-H520 WeakPolarHBondContact O-CB 3.44Å; A516-H520 PolarHBondContact O-N 2.83Å
517F96.8Very high93.2Very high0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-60-52172.6-162.4150.6000110.7L394 K398 L429 T430 L431 V513 S514 N519 H520 L521L394-F517 HydrophobicContact CB-CZ 4.22Å; K398-F517 HydrophobicContact CB-CE1 4.13Å; K398-F517 HydrophobicContact CD-CE1 3.62Å; K398-F517 HydrophobicContact CD-CZ 3.58Å; K398-F517 HydrophobicContact CG-CE1 3.55Å; K398-F517 HydrophobicContact CG-CZ 3.74Å; L429-F517 HydrophobicContact CB-CD1 4.19Å; L429-F517 HydrophobicContact CB-CE1 4.05Å; T430-F517 VanDerWaalsContact C-CD1 3.47Å; L431-F517 HydrophobicContact CD2-CD1 4.31Å; L431-F517 HydrophobicContact CD2-CD2 4.26Å; L431-F517 HydrophobicContact CD2-CE1 4.48Å; L431-F517 HydrophobicContact CD2-CE2 4.44Å; L431-F517 HydrophobicContact CD2-CG 4.16Å; L431-F517 HydrophobicContact CG-CB 4.18Å; L431-F517 HydrophobicContact CG-CD1 4.42Å; L431-F517 HydrophobicContact CG-CG 4.25Å; V513-F517 HydrophobicContact CB-CB 4.1Å; V513-F517 HydrophobicContact CB-CD1 4.4Å; V513-F517 HydrophobicContact CB-CG 4.11Å; V513-F517 HydrophobicContact CG1-CD1 4.26Å; V513-F517 HydrophobicContact CG1-CD2 4.43Å; V513-F517 HydrophobicContact CG1-CG 4.21Å; S514-F517 VanDerWaalsContact OG-CB 3.32Å; S514-F517 WeakPolarHBondContact OG-CB 3.5Å; S514-F517 PolarHBondContact OG-N 3.39Å; S514-F517 VanDerWaalsContact OG-N 3.13Å; F517-N519 PolarHBondContact O-N 3.16Å; F517-N519 VanDerWaalsContact O-N 3.15Å; F517-H520 CarbonylContact O-C 3.57Å; F517-H520 WeakPolarHBondContact O-CA 3.46Å; F517-H520 WeakPolarHBondContact O-CB 3.36Å; F517-H520 PolarHBondContact O-N 3.45Å; F517-L521 HydrophobicContact CD2-CB 4.27Å; F517-L521 HydrophobicContact CE2-CB 4.44Å; F517-L521 WeakPolarHBondContact O-CB 3.29Å; F517-L521 PolarHBondContact O-N 3.4Å
518Y95.4Very high92.6Very high10 Ų1053.7 Ų53.74%0.03927%0.267CS..Hα-helixtrans-49.3-48.4179.6-175.9-82000111.9R446 E451 V513 S514 C515 L521 H522R446-Y518 HydrophobicContact CB-CD2 3.79Å; R446-Y518 HydrophobicContact CB-CE2 4.33Å; R446-Y518 HydrophobicContact CB-CG 4.45Å; E451-Y518 VanDerWaalsContact CG-OH 3.29Å; E451-Y518 WeakPolarHBondContact CG-OH 3.45Å; E451-Y518 PolarHBondContact OE1-OH 3.34Å; V513-Y518 HydrophobicContact CG2-CD2 4.04Å; V513-Y518 HydrophobicContact CG2-CG 4.48Å; S514-Y518 VanDerWaalsContact O-CB 3.29Å; S514-Y518 WeakPolarHBondContact O-CB 3.4Å; S514-Y518 PolarHBondContact O-N 3.15Å; C515-Y518 PolarHBondContact O-N 3.44Å; Y518-L521 PolarHBondContact O-N 2.86Å; Y518-H522 AromaticContact CD1-CE1 3.87Å; Y518-H522 AromaticContact CD1-ND1 3.6Å; Y518-H522 AromaticContact CD2-CE1 3.78Å; Y518-H522 AromaticContact CE1-CE1 3.44Å; Y518-H522 VanDerWaalsContact CE1-CE1 3.44Å; Y518-H522 WeakPolarHBondContact CE1-CE1 3.49Å; Y518-H522 AromaticContact CE1-ND1 3.47Å; Y518-H522 WeakPolarHBondContact CE1-ND1 3.47Å; Y518-H522 AromaticContact CE2-CE1 3.36Å; Y518-H522 WeakPolarHBondContact CE2-CE1 3.27Å; Y518-H522 AromaticContact CG-ND1 3.96Å; Y518-H522 AromaticContact CZ-CE1 3.18Å; Y518-H522 AromaticContact CZ-ND1 3.74Å; Y518-H522 AromaticContact CZ-NE2 3.63Å; Y518-H522 PolarHBondContact O-N 3.01Å; Y518-H522 VanDerWaalsContact O-N 3.15Å; Y518-H522 PolarHBondContact O-ND1 3.48Å
519N93.8Very high91.9Very high97 Ų9752.7 Ų52.752%0.51926%0.259SS..Hα-helixtrans-66-42.1179.4-65.5-14.5000111.7C515 A516 F517 H522 H523C515-N519 VanDerWaalsContact O-CG 3.28Å; C515-N519 PolarHBondContact O-N 2.93Å; C515-N519 VanDerWaalsContact O-N 3.07Å; C515-N519 PolarHBondContact O-ND2 2.93Å; A516-N519 PolarHBondContact O-N 3.49Å; F517-N519 PolarHBondContact O-N 3.16Å; F517-N519 VanDerWaalsContact O-N 3.15Å; N519-H522 PolarHBondContact O-N 3.3Å; N519-H523 WeakPolarHBondContact O-CB 3.45Å; N519-H523 PolarHBondContact O-N 2.77Å
520H92.4Very high91.1Very high46 Ų4657 Ų5721%0.21329%0.29CS..Hα-helixtrans-60.3-45.6175.8-178.164.8000112.3P381 L431 A516 F517 H522 H523 E524P381-H520 WeakPolarHBondContact CG-NE2 3.39Å; L431-H520 HydrophobicContact CD1-CB 4.21Å; A516-H520 WeakPolarHBondContact O-CB 3.44Å; A516-H520 PolarHBondContact O-N 2.83Å; F517-H520 CarbonylContact O-C 3.57Å; F517-H520 WeakPolarHBondContact O-CA 3.46Å; F517-H520 WeakPolarHBondContact O-CB 3.36Å; F517-H520 PolarHBondContact O-N 3.45Å; H520-H522 PolarHBondContact O-N 3.14Å; H520-H523 PolarHBondContact O-N 3.46Å; H520-E524 IonicContact CE1-OE1 3.54Å; H520-E524 WeakPolarHBondContact O-CG 3.35Å; H520-E524 PolarHBondContact O-N 3.15Å
521L92.5Very high90.4Very high0 Ų056 Ų560%031%0.305CS..Hα-helixtrans-57.5-47.7176.8169.565.8000111.9M383 L394 P395 P448 F449 F517 Y518 E524 W525M383-L521 HydrophobicContact CE-CD1 3.43Å; M383-L521 VanDerWaalsContact CE-CD1 3.43Å; M383-L521 HydrophobicContact SD-CD1 4.14Å; L394-L521 HydrophobicContact CD2-CD1 3.98Å; L394-L521 HydrophobicContact CD2-CD2 3.79Å; P395-L521 HydrophobicContact CG-CD1 4.16Å; P448-L521 HydrophobicContact CB-CD2 4Å; P448-L521 VanDerWaalsContact O-CD2 3.3Å; P448-L521 WeakPolarHBondContact O-CD2 3.47Å; F449-L521 HydrophobicContact CE1-CD2 4.12Å; F517-L521 HydrophobicContact CD2-CB 4.27Å; F517-L521 HydrophobicContact CE2-CB 4.44Å; F517-L521 WeakPolarHBondContact O-CB 3.29Å; F517-L521 PolarHBondContact O-N 3.4Å; Y518-L521 PolarHBondContact O-N 2.86Å; L521-E524 PolarHBondContact O-N 2.97Å; L521-W525 WeakPolarHBondContact O-CB 3.29Å; L521-W525 PolarHBondContact O-N 3.21Å
522H89.4Confident89.7Confident49 Ų4958.6 Ų58.623%0.22734%0.336CS..Hα-helixtrans-71.9-35-178.3-71.475.9000111.9P448 Y518 N519 H520 W525 L526P448-H522 PolarHBondContact O-CE1 3.03Å; Y518-H522 AromaticContact CD1-CE1 3.87Å; Y518-H522 AromaticContact CD1-ND1 3.6Å; Y518-H522 AromaticContact CD2-CE1 3.78Å; Y518-H522 AromaticContact CE1-CE1 3.44Å; Y518-H522 VanDerWaalsContact CE1-CE1 3.44Å; Y518-H522 WeakPolarHBondContact CE1-CE1 3.49Å; Y518-H522 AromaticContact CE1-ND1 3.47Å; Y518-H522 WeakPolarHBondContact CE1-ND1 3.47Å; Y518-H522 AromaticContact CE2-CE1 3.36Å; Y518-H522 WeakPolarHBondContact CE2-CE1 3.27Å; Y518-H522 AromaticContact CG-ND1 3.96Å; Y518-H522 AromaticContact CZ-CE1 3.18Å; Y518-H522 AromaticContact CZ-ND1 3.74Å; Y518-H522 AromaticContact CZ-NE2 3.63Å; Y518-H522 PolarHBondContact O-N 3.01Å; Y518-H522 VanDerWaalsContact O-N 3.15Å; Y518-H522 PolarHBondContact O-ND1 3.48Å; N519-H522 PolarHBondContact O-N 3.3Å; H520-H522 PolarHBondContact O-N 3.14Å; H522-W525 PolarHBondContact O-N 3.07Å; H522-L526 WeakPolarHBondContact O-CG 3.3Å; H522-L526 PolarHBondContact O-N 3.44Å
523H90Very high89Confident114 Ų11466.8 Ų66.853%0.52837%0.373SS..Hα-helixtrans-61-49.8172.2-177.877.3000111.5N519 H520 W525 L526 R527N519-H523 WeakPolarHBondContact O-CB 3.45Å; N519-H523 PolarHBondContact O-N 2.77Å; H520-H523 PolarHBondContact O-N 3.46Å; H523-W525 VanDerWaalsContact C-N 3.32Å; H523-W525 PolarHBondContact O-N 3.26Å; H523-L526 PolarHBondContact O-N 3.41Å; H523-R527 WeakPolarHBondContact O-CB 3.34Å; H523-R527 PolarHBondContact O-N 3.4Å
524E88Confident87.9Confident11 Ų1174.9 Ų74.95%0.05142%0.415CS..Hα-helixtrans-60.6-42.5176.9-73.8-56.4126.300111.5P395 H520 L521 R527 H528P395-E524 HydrophobicContact CG-CB 4.4Å; P395-E524 HydrophobicContact CG-CG 4.4Å; H520-E524 IonicContact CE1-OE1 3.54Å; H520-E524 WeakPolarHBondContact O-CG 3.35Å; H520-E524 PolarHBondContact O-N 3.15Å; L521-E524 PolarHBondContact O-N 2.97Å; E524-R527 PolarHBondContact O-N 3.43Å; E524-H528 PolarHBondContact O-CD2 2.96Å; E524-H528 PolarHBondContact O-N 3.43Å; E524-H528 VanDerWaalsContact O-N 3.14Å; E524-H528 IonicContact OE2-CD2 3.05Å; E524-H528 IonicContact OE2-CE1 3.84Å; E524-H528 IonicContact OE2-NE2 2.64Å; E524-H528 PolarHBondContact OE2-NE2 2.94Å
525W85.5Confident86.7Confident57 Ų5787 Ų8722%0.21647%0.471CS..Hα-helixtrans-58.1-54.6177.5-166.5-37.2000111.8M383 I389 F449 L521 H522 H523 R527 H528 V529M383-W525 HydrophobicContact CE-CE3 4.29Å; I389-W525 HydrophobicContact CB-CH2 4.25Å; I389-W525 HydrophobicContact CD1-CH2 3.89Å; I389-W525 HydrophobicContact CD1-CZ2 4.46Å; I389-W525 HydrophobicContact CG1-CH2 3.73Å; I389-W525 HydrophobicContact CG1-CZ2 4.24Å; I389-W525 HydrophobicContact CG2-CH2 3.8Å; I389-W525 HydrophobicContact CG2-CZ3 4.23Å; F449-W525 HydrophobicContact CD1-CH2 4.49Å; F449-W525 AromaticContact CD1-CZ3 3.73Å; F449-W525 HydrophobicContact CD1-CZ3 3.73Å; F449-W525 AromaticContact CE1-CZ3 3.84Å; F449-W525 HydrophobicContact CE1-CZ3 3.84Å; L521-W525 WeakPolarHBondContact O-CB 3.29Å; L521-W525 PolarHBondContact O-N 3.21Å; H522-W525 PolarHBondContact O-N 3.07Å; H523-W525 VanDerWaalsContact C-N 3.32Å; H523-W525 PolarHBondContact O-N 3.26Å; W525-R527 PolarHBondContact O-N 3.46Å; W525-H528 PolarHBondContact O-N 3.07Å; W525-V529 WeakPolarHBondContact O-CG2 3.38Å; W525-V529 PolarHBondContact O-N 2.95Å
526L86Confident86.3Confident142 Ų14288.9 Ų88.974%0.74348%0.478SS*.Hα-helixtrans-62.7-29.5-178.5-69.4173.5000112.5H522 H523H522-L526 WeakPolarHBondContact O-CG 3.3Å; H522-L526 PolarHBondContact O-N 3.44Å; H523-L526 PolarHBondContact O-N 3.41Å
527R85.2Confident85.8Confident163 Ų16391.1 Ų91.162%0.61548%0.483SS*.Hα-helixtrans-70.6-36.3177.4-173.6178.2-178-176.51.3113.1H523 E524 W525H523-R527 WeakPolarHBondContact O-CB 3.34Å; H523-R527 PolarHBondContact O-N 3.4Å; E524-R527 PolarHBondContact O-N 3.43Å; W525-R527 PolarHBondContact O-N 3.46Å
528H81.6Confident85.2Confident83 Ų8396.1 Ų96.138%0.38451%0.509SS..Hα-helixtrans-96.4-18-173.9-67.9-62.6000114I385 E524 W525I385-H528 HydrophobicContact CD1-CB 3.39Å; E524-H528 PolarHBondContact O-CD2 2.96Å; E524-H528 PolarHBondContact O-N 3.43Å; E524-H528 VanDerWaalsContact O-N 3.14Å; E524-H528 IonicContact OE2-CD2 3.05Å; E524-H528 IonicContact OE2-CE1 3.84Å; E524-H528 IonicContact OE2-NE2 2.64Å; E524-H528 PolarHBondContact OE2-NE2 2.94Å; W525-H528 PolarHBondContact O-N 3.07Å
529V80.7Confident84.6Confident59 Ų59101.2 Ų101.236%0.35854%0.537SS..SBendtrans-95.8115.6179.2-178.90000110.7I385 W525I385-V529 HydrophobicContact CB-CG2 4.46Å; I385-V529 HydrophobicContact CD1-CG2 3.58Å; I385-V529 HydrophobicContact CG1-CG2 4.23Å; I385-V529 HydrophobicContact CG2-CG2 3.71Å; W525-V529 WeakPolarHBondContact O-CG2 3.38Å; W525-V529 PolarHBondContact O-N 2.95Å
530P79.3Confident84Confident113 Ų113101.4 Ų101.473%0.73454%0.538SS*.PPolyproline II helixtrans-65.7143.1175.127.8-33.2000110.7G532P530-G532 PolarHBondContact O-N 3.02Å
531A80.8Confident83.5Confident103 Ų103105.1 Ų105.185%0.85156%0.56SS**PPolyproline II helixtrans-68.8128.1169.700000109.4
532G81.1Confident82.8Confident72 Ų72112.6 Ų112.674%0.74260%0.6SS**PPolyproline II helixtrans-71.3140172.100000110.6P530P530-G532 PolarHBondContact O-N 3.02Å
533Q83.4Confident82.3Confident180 Ų180117.5 Ų117.584%0.84163%0.629SS**PPolyproline II helixtrans-93.7126.3167.1-172.8172.6-6.500107.9
534L75.3Confident81.7Confident169 Ų169117.8 Ų117.889%0.88564%0.637SS**  trans-107.8134.9173.5-61.7174.9000107.9
535E73.5Confident81.1Confident262 Ų262127.5 Ų127.5100%1.22469%0.69SS**  trans-91.70175.8-69-176.2170.700112.1

Retrieved 535 of 535 residues in 227.8 ms (Link to these results)

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