A0A077ZM69_TRITR Loading...

RecA and CinA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 524 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
1M67.4Low80.1Confident101 Ų10171.3 Ų71.350%0.49837%0.372SS..  0126.90-163.8165.7-6500108.6E5 L6 A151M1-E5 WeakPolarHBondContact CA-OE2 3.5Å; M1-E5 HydrophobicContact CG-CB 3.52Å; M1-E5 HydrophobicContact CG-CG 4.4Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.4Å; M1-E5 HydrophobicContact SD-CB 4.16Å; M1-L6 HydrophobicContact CG-CD2 4.39Å; M1-L6 HydrophobicContact CG-CG 4.19Å; M1-L6 HydrophobicContact SD-CD2 3.54Å; M1-L6 VanDerWaalsContact SD-CD2 3.54Å; M1-L6 HydrophobicContact SD-CG 3.94Å; M1-A151 HydrophobicContact CE-CB 3.06Å; M1-A151 HydrophobicContact SD-CB 3.15Å; M1-A151 WeakPolarHBondContact SD-CB 3.04Å
2T76.3Confident80.6Confident77 Ų7773.3 Ų73.347%0.47238%0.378SS..  trans-81.9159.6176.765.80000110.3S4 E5 L6T2-S4 PolarHBondContact O-N 3.47Å; T2-E5 PolarHBondContact N-OE2 3.38Å; T2-E5 PolarHBondContact O-N 3.36Å; T2-E5 VanDerWaalsContact O-N 3.12Å; T2-E5 WeakPolarHBondContact OG1-CG 3.41Å; T2-E5 PolarHBondContact OG1-N 2.71Å; T2-E5 PolarHBondContact OG1-OE2 3.12Å; T2-L6 PolarHBondContact O-N 3Å
3D77.1Confident81Confident108 Ų10868.2 Ų68.258%0.57835%0.352SS*.Hα-helixtrans-61.9-28.8176-66.2-20.6000111.8L6 M7 R147D3-L6 PolarHBondContact O-N 3.35Å; D3-M7 PolarHBondContact O-N 3.17Å; D3-R147 IonicContact OD1-NH1 3.27Å; D3-R147 PolarHBondContact OD1-NH1 3.24Å
4S80.6Confident81.4Confident76 Ų7663.5 Ų63.553%0.53133%0.329SS..Hα-helixtrans-64.6-37.9174.3-174.20000112.9T2 M7 Q8T2-S4 PolarHBondContact O-N 3.47Å; S4-M7 PolarHBondContact O-N 3.26Å; S4-Q8 WeakPolarHBondContact O-CG 3.35Å; S4-Q8 PolarHBondContact O-N 3.28Å
5E80.1Confident81.8Confident93 Ų9368.1 Ų68.144%0.43535%0.349SS..Hα-helixtrans-69.9-38.4177.7-71.9166.5149.500110.8M1 T2 M7 Q8 L9M1-E5 WeakPolarHBondContact CA-OE2 3.5Å; M1-E5 HydrophobicContact CG-CB 3.52Å; M1-E5 HydrophobicContact CG-CG 4.4Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.4Å; M1-E5 HydrophobicContact SD-CB 4.16Å; T2-E5 PolarHBondContact N-OE2 3.38Å; T2-E5 PolarHBondContact O-N 3.36Å; T2-E5 VanDerWaalsContact O-N 3.12Å; T2-E5 WeakPolarHBondContact OG1-CG 3.41Å; T2-E5 PolarHBondContact OG1-N 2.71Å; T2-E5 PolarHBondContact OG1-OE2 3.12Å; E5-M7 VanDerWaalsContact C-N 3.35Å; E5-Q8 PolarHBondContact O-N 3.08Å; E5-L9 PolarHBondContact O-N 3.27Å; E5-L9 VanDerWaalsContact O-N 3.13Å
6L77.9Confident82.1Confident13 Ų1364.8 Ų64.87%0.06834%0.335CS..Hα-helixtrans-65.3-38174.6-71.2173.5000112.1M1 T2 D3 L9 S10 V38 A151M1-L6 HydrophobicContact CG-CD2 4.39Å; M1-L6 HydrophobicContact CG-CG 4.19Å; M1-L6 HydrophobicContact SD-CD2 3.54Å; M1-L6 VanDerWaalsContact SD-CD2 3.54Å; M1-L6 HydrophobicContact SD-CG 3.94Å; T2-L6 PolarHBondContact O-N 3Å; D3-L6 PolarHBondContact O-N 3.35Å; L6-L9 WeakPolarHBondContact O-CB 3.34Å; L6-L9 PolarHBondContact O-N 3.18Å; L6-S10 PolarHBondContact O-N 2.83Å; L6-S10 PolarHBondContact O-OG 2.7Å; L6-V38 HydrophobicContact CD2-CG2 4.1Å; L6-A151 HydrophobicContact CD2-CB 4.23Å
7M81.9Confident82.5Confident96 Ų9661.1 Ų61.147%0.47332%0.316SS..Hα-helixtrans-65.1-43.2177.3-168172-17600111.8D3 S4 E5 L9 S10 E11 I42D3-M7 PolarHBondContact O-N 3.17Å; S4-M7 PolarHBondContact O-N 3.26Å; E5-M7 VanDerWaalsContact C-N 3.35Å; M7-L9 VanDerWaalsContact C-N 3.3Å; M7-L9 PolarHBondContact O-N 2.74Å; M7-S10 WeakPolarHBondContact O-CB 3.15Å; M7-S10 PolarHBondContact O-N 3.43Å; M7-E11 PolarHBondContact O-N 3.17Å; M7-E11 VanDerWaalsContact O-N 3.1Å; M7-I42 HydrophobicContact CE-CD1 4.46Å; M7-I42 HydrophobicContact CG-CD1 4.42Å
8Q84.5Confident82.8Confident112 Ų11265.6 Ų65.652%0.52333%0.332SS..Hα-helixtrans-59.6-41.5174.3-74.8178.2-5.600112.1S4 E5 S10 E11 Q12S4-Q8 WeakPolarHBondContact O-CG 3.35Å; S4-Q8 PolarHBondContact O-N 3.28Å; E5-Q8 PolarHBondContact O-N 3.08Å; Q8-S10 VanDerWaalsContact C-N 3.31Å; Q8-S10 PolarHBondContact O-N 3.33Å; Q8-E11 PolarHBondContact O-N 3.01Å; Q8-Q12 WeakPolarHBondContact O-CG 3.25Å; Q8-Q12 PolarHBondContact O-N 3.34Å; Q8-Q12 VanDerWaalsContact O-N 3.1Å
9L82.5Confident83.1Confident20 Ų2066.8 Ų66.811%0.10535%0.354CS..Hα-helixtrans-60.9-42.8176.1-165.764000112E5 L6 M7 E11 Q12 V13 A151 A154E5-L9 PolarHBondContact O-N 3.27Å; E5-L9 VanDerWaalsContact O-N 3.13Å; L6-L9 WeakPolarHBondContact O-CB 3.34Å; L6-L9 PolarHBondContact O-N 3.18Å; M7-L9 VanDerWaalsContact C-N 3.3Å; M7-L9 PolarHBondContact O-N 2.74Å; L9-E11 VanDerWaalsContact C-N 3.32Å; L9-E11 PolarHBondContact O-N 3.46Å; L9-Q12 PolarHBondContact O-N 3.13Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.25Å; L9-A151 HydrophobicContact CD2-CB 4.43Å; L9-A151 WeakPolarHBondContact CD2-O 3.48Å; L9-A154 HydrophobicContact CD2-CB 3.56Å; L9-A154 HydrophobicContact CG-CB 4.22Å; L9-A154 WeakPolarHBondContact CG-O 3.46Å
10S85.4Confident83.2Confident0 Ų068.7 Ų68.70%036%0.356CS..Hα-helixtrans-60-42.6178.4-50.20000111.5L6 M7 Q8 G14 V38L6-S10 PolarHBondContact O-N 2.83Å; L6-S10 PolarHBondContact O-OG 2.7Å; M7-S10 WeakPolarHBondContact O-CB 3.15Å; M7-S10 PolarHBondContact O-N 3.43Å; Q8-S10 VanDerWaalsContact C-N 3.31Å; Q8-S10 PolarHBondContact O-N 3.33Å; S10-G14 PolarHBondContact O-N 3.1Å; S10-G14 VanDerWaalsContact O-N 3.07Å; S10-V38 WeakPolarHBondContact CB-O 3.4Å; S10-V38 WeakPolarHBondContact OG-CG1 3.24Å; S10-V38 PolarHBondContact OG-O 2.84Å
11E87Confident83.5Confident88 Ų8868.6 Ų68.641%0.41137%0.371SS..Hα-helixtrans-63.5-45.6175.3-70.5-177.8178.100112.2M7 Q8 L9 G14 Q15 I42M7-E11 PolarHBondContact O-N 3.17Å; M7-E11 VanDerWaalsContact O-N 3.1Å; Q8-E11 PolarHBondContact O-N 3.01Å; L9-E11 VanDerWaalsContact C-N 3.32Å; L9-E11 PolarHBondContact O-N 3.46Å; E11-G14 PolarHBondContact O-N 3.44Å; E11-Q15 WeakPolarHBondContact O-CB 3.15Å; E11-Q15 VanDerWaalsContact O-CG 3.25Å; E11-Q15 WeakPolarHBondContact O-CG 3.41Å; E11-Q15 PolarHBondContact O-N 3.4Å; E11-I42 HydrophobicContact CG-CD1 3.52Å; E11-I42 HydrophobicContact CG-CG1 3.93Å
12Q86.5Confident84.6Confident95 Ų9564 Ų6444%0.44435%0.35SS..Hα-helixtrans-62-46.2-179-70.4172.7-400111.8Q8 L9 Q15 A16 T156Q8-Q12 WeakPolarHBondContact O-CG 3.25Å; Q8-Q12 PolarHBondContact O-N 3.34Å; Q8-Q12 VanDerWaalsContact O-N 3.1Å; L9-Q12 PolarHBondContact O-N 3.13Å; Q12-Q15 PolarHBondContact O-N 2.95Å; Q12-A16 WeakPolarHBondContact O-CB 3.42Å; Q12-A16 PolarHBondContact O-N 3.18Å; Q12-T156 VanDerWaalsContact C-CG2 3.42Å; Q12-T156 HydrophobicContact CB-CG2 3.61Å
13V85.7Confident85.4Confident7 Ų762.3 Ų62.34%0.04234%0.339CS..Hα-helixtrans-62.6-48.2177.2173.20000111.4L9 Q15 A16 L17 I39 A154 T156 I159L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.25Å; V13-Q15 VanDerWaalsContact C-N 3.32Å; V13-Q15 PolarHBondContact O-N 3.32Å; V13-A16 PolarHBondContact O-N 3.31Å; V13-L17 HydrophobicContact CG1-CD1 3.69Å; V13-L17 HydrophobicContact CG1-CG 4.38Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 3.1Å; V13-I39 HydrophobicContact CG1-CG1 4.45Å; V13-I39 HydrophobicContact CG1-CG2 4.31Å; V13-A154 WeakPolarHBondContact CG2-O 3.27Å; V13-T156 HydrophobicContact CB-CG2 4.39Å; V13-T156 HydrophobicContact CG2-CG2 3.79Å; V13-I159 HydrophobicContact CG1-CD1 4.23Å
14G86.7Confident86.2Confident3 Ų357.5 Ų57.53%0.03131%0.314CS..Hα-helixtrans-59.6-43.1179.700000112.1S10 E11 K18 W48S10-G14 PolarHBondContact O-N 3.1Å; S10-G14 VanDerWaalsContact O-N 3.07Å; E11-G14 PolarHBondContact O-N 3.44Å; G14-K18 WeakPolarHBondContact O-CB 3.49Å; G14-K18 PolarHBondContact O-N 3.41Å; G14-W48 VanDerWaalsContact CA-CE2 3.47Å
15Q87.2Confident86.9Confident132 Ų13253.9 Ų53.962%0.61729%0.289SS*.Hα-helixtrans-63.3-45.3175.6-72.8175.113.400112.2E11 Q12 V13 K18 A19E11-Q15 WeakPolarHBondContact O-CB 3.15Å; E11-Q15 VanDerWaalsContact O-CG 3.25Å; E11-Q15 WeakPolarHBondContact O-CG 3.41Å; E11-Q15 PolarHBondContact O-N 3.4Å; Q12-Q15 PolarHBondContact O-N 2.95Å; V13-Q15 VanDerWaalsContact C-N 3.32Å; V13-Q15 PolarHBondContact O-N 3.32Å; Q15-K18 PolarHBondContact O-N 3.37Å; Q15-A19 VanDerWaalsContact O-CB 3.31Å; Q15-A19 WeakPolarHBondContact O-CB 3.37Å; Q15-A19 PolarHBondContact O-N 3.38Å
16A87Confident87.7Confident16 Ų1649.5 Ų49.513%0.13227%0.268CS..Hα-helixtrans-65-40.1-177.800000113.1Q12 V13 R20 T156 I159Q12-A16 WeakPolarHBondContact O-CB 3.42Å; Q12-A16 PolarHBondContact O-N 3.18Å; V13-A16 PolarHBondContact O-N 3.31Å; A16-R20 WeakPolarHBondContact O-CG 3.49Å; A16-R20 PolarHBondContact O-NH1 3.23Å; A16-T156 HydrophobicContact CB-CG2 4.36Å; A16-I159 HydrophobicContact CB-CD1 4Å; A16-I159 HydrophobicContact CB-CG2 4.26Å
17L88.3Confident88.6Confident2 Ų248.9 Ų48.91%0.0127%0.265CS..Hα-helixtrans-73.6-43.4177-70.3169.2000111.7V13 A19 R20 G21 A22 V24 W48 Y98 I159V13-L17 HydrophobicContact CG1-CD1 3.69Å; V13-L17 HydrophobicContact CG1-CG 4.38Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 3.1Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 2.97Å; L17-R20 CarbonylContact O-C 3.52Å; L17-R20 PolarHBondContact O-N 2.96Å; L17-G21 PolarHBondContact O-N 3.41Å; L17-G21 VanDerWaalsContact O-N 3.09Å; L17-A22 HydrophobicContact CD2-CB 4.39Å; L17-A22 PolarHBondContact O-N 3.25Å; L17-A22 VanDerWaalsContact O-N 3.1Å; L17-V24 HydrophobicContact CD1-CB 3.88Å; L17-V24 HydrophobicContact CD1-CG1 3.48Å; L17-V24 VanDerWaalsContact CD1-CG1 3.48Å; L17-V24 HydrophobicContact CD2-CB 4.4Å; L17-W48 HydrophobicContact CB-CB 3.52Å; L17-W48 HydrophobicContact CB-CG 4.12Å; L17-W48 HydrophobicContact CD1-CB 3.9Å; L17-W48 HydrophobicContact CD1-CG 4.08Å; L17-W48 HydrophobicContact CG-CB 4.34Å; L17-Y98 HydrophobicContact CD2-CD2 3.68Å; L17-Y98 HydrophobicContact CD2-CE2 4.01Å; L17-I159 HydrophobicContact CD2-CD1 4.35Å; L17-I159 HydrophobicContact CG-CD1 4.18Å
18K88.8Confident89.3Confident141 Ų14144.4 Ų44.461%0.61324%0.243SC*.Hα-helixtrans-60.3-41.5177.2-174.7176.6-177.4177.50112.1G14 Q15 R20 G21 W48G14-K18 WeakPolarHBondContact O-CB 3.49Å; G14-K18 PolarHBondContact O-N 3.41Å; Q15-K18 PolarHBondContact O-N 3.37Å; K18-R20 PolarHBondContact O-N 3.35Å; K18-G21 PolarHBondContact O-N 3.2Å; K18-G21 VanDerWaalsContact O-N 3.14Å; K18-W48 HydrophobicContact CB-CE3 4.15Å; K18-W48 HydrophobicContact CB-CZ3 4.48Å; K18-W48 HydrophobicContact CD-CZ3 4.27Å
19A87.8Confident89.8Confident90 Ų9039.5 Ų39.574%0.74422%0.221SC*.Hα-helixtrans-61.2-26.1176.400000113.1Q15 L17Q15-A19 VanDerWaalsContact O-CB 3.31Å; Q15-A19 WeakPolarHBondContact O-CB 3.37Å; Q15-A19 PolarHBondContact O-N 3.38Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 2.97Å
20R84.9Confident90.3Very high104 Ų10438.7 Ų38.739%0.39222%0.217SC..Hα-helixtrans-93.7-9178.5-69.4174171.982.4-2.1113.8A16 L17 K18 A22 D160A16-R20 WeakPolarHBondContact O-CG 3.49Å; A16-R20 PolarHBondContact O-NH1 3.23Å; L17-R20 CarbonylContact O-C 3.52Å; L17-R20 PolarHBondContact O-N 2.96Å; K18-R20 PolarHBondContact O-N 3.35Å; R20-A22 HydrophobicContact CB-CB 3.82Å; R20-A22 PolarHBondContact O-N 3.24Å; R20-D160 IonicContact CZ-OD1 3.13Å; R20-D160 IonicContact NH2-OD1 2.87Å; R20-D160 PolarHBondContact NH2-OD1 3.39Å
21G90.1Very high90.7Very high66 Ų6638.7 Ų38.768%0.6822%0.217SC*.THydrogen-bonded Turntrans58.232.4-168.100000112.2L17 K18L17-G21 PolarHBondContact O-N 3.41Å; L17-G21 VanDerWaalsContact O-N 3.09Å; K18-G21 PolarHBondContact O-N 3.2Å; K18-G21 VanDerWaalsContact O-N 3.14Å
22A90.5Very high90.9Very high6 Ų636.1 Ų36.15%0.0521%0.214CC..  trans-110.2152.6-171.400000112.1L17 R20 D97 Y98L17-A22 HydrophobicContact CD2-CB 4.39Å; L17-A22 PolarHBondContact O-N 3.25Å; L17-A22 VanDerWaalsContact O-N 3.1Å; R20-A22 HydrophobicContact CB-CB 3.82Å; R20-A22 PolarHBondContact O-N 3.24Å; A22-D97 WeakPolarHBondContact CA-OD2 3.4Å; A22-D97 HydrophobicContact CB-CB 4.07Å; A22-Y98 HydrophobicContact CB-CD2 4.06Å; A22-Y98 HydrophobicContact CB-CE2 3.55Å
23T92.9Very high91.2Very high40 Ų4032.4 Ų32.425%0.24520%0.202CC..  trans-110.7147.3-17857.10000111.9W48 A96 D97 Y98T23-W48 CarbonylContact C-O 3.6Å; T23-W48 VanDerWaalsContact CA-O 3.24Å; T23-W48 WeakPolarHBondContact CA-O 3.39Å; T23-A96 VanDerWaalsContact OG1-CA 3.32Å; T23-A96 WeakPolarHBondContact OG1-CA 3.28Å; T23-D97 PolarHBondContact N-OD2 2.83Å; T23-D97 WeakPolarHBondContact O-CB 3.33Å; T23-D97 PolarHBondContact O-N 3.2Å; T23-D97 VanDerWaalsContact O-N 3.1Å; T23-D97 PolarHBondContact OG1-N 2.98Å; T23-D97 PolarHBondContact OG1-OD2 2.69Å; T23-Y98 PolarHBondContact O-N 3.07Å
24V93.8Very high91.6Very high7 Ų735.1 Ų35.14%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-125.5146.2176.972.60000110.9L17 I39 W48 F49 E50 Y98L17-V24 HydrophobicContact CD1-CB 3.88Å; L17-V24 HydrophobicContact CD1-CG1 3.48Å; L17-V24 VanDerWaalsContact CD1-CG1 3.48Å; L17-V24 HydrophobicContact CD2-CB 4.4Å; V24-I39 HydrophobicContact CG1-CD1 4.38Å; V24-I39 HydrophobicContact CG1-CG2 3.88Å; V24-W48 WeakPolarHBondContact CG1-O 3.29Å; V24-W48 PolarHBondContact N-O 2.74Å; V24-F49 HydrophobicContact CG1-CD2 4.05Å; V24-E50 PolarHBondContact O-N 2.85Å; V24-Y98 CarbonylContact C-O 3.55Å; V24-Y98 WeakPolarHBondContact CA-O 3.42Å
25T95.5Very high91.9Very high0 Ų035 Ų350%021%0.21CC..EExtended strand (participates in β ladder)trans-126154.2172-173.40000110.9R51 A90 A94 A96 Y98 A99 V100T25-R51 VanDerWaalsContact CA-O 3.28Å; T25-R51 WeakPolarHBondContact CA-O 3.38Å; T25-R51 PolarHBondContact OG1-O 2.8Å; T25-A90 HydrophobicContact CG2-CB 4.05Å; T25-A94 HydrophobicContact CG2-CB 3.85Å; T25-A94 WeakPolarHBondContact OG1-CB 3.35Å; T25-A96 HydrophobicContact CG2-CB 3.9Å; T25-Y98 WeakPolarHBondContact CG2-O 3.38Å; T25-Y98 PolarHBondContact N-O 3.44Å; T25-A99 HydrophobicContact CG2-CB 3.66Å; T25-A99 WeakPolarHBondContact O-CA 3.17Å; T25-V100 PolarHBondContact O-N 2.97Å
26T96.2Very high92.2Very high1 Ų129.6 Ų29.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-117.8146.6-18064.60000112.2V35 I39 F49 R51 G52 F53 V100T26-V35 HydrophobicContact CG2-CB 4.29Å; T26-V35 HydrophobicContact CG2-CG1 3.84Å; T26-I39 HydrophobicContact CG2-CD1 3.77Å; T26-F49 HydrophobicContact CG2-CE2 3.75Å; T26-F49 HydrophobicContact CG2-CZ 4.39Å; T26-R51 PolarHBondContact N-O 3.36Å; T26-G52 CarbonylContact O-C 3.56Å; T26-G52 VanDerWaalsContact OG1-CA 3.27Å; T26-G52 WeakPolarHBondContact OG1-CA 3.42Å; T26-F53 WeakPolarHBondContact O-CD2 3.23Å; T26-F53 PolarHBondContact O-N 2.83Å; T26-V100 CarbonylContact C-O 3.45Å; T26-V100 WeakPolarHBondContact CA-O 3.34Å; T26-V100 HydrophobicContact CG2-CG2 3.52Å
27A96.8Very high92.4Very high0 Ų033.8 Ų33.80%020%0.203CC..EExtended strand (participates in β ladder)trans-127.5105.9168.400000110.5F53 I65 M86 A90 V100 S101 I102A27-F53 CarbonylContact C-O 3.49Å; A27-F53 WeakPolarHBondContact CA-O 3.37Å; A27-I65 HydrophobicContact CB-CD1 3.91Å; A27-M86 HydrophobicContact CB-CB 4.06Å; A27-M86 HydrophobicContact CB-CE 3.93Å; A27-M86 WeakPolarHBondContact O-CE 3.19Å; A27-A90 HydrophobicContact CB-CB 3.96Å; A27-V100 PolarHBondContact N-O 3.21Å; A27-S101 CarbonylContact O-C 3.53Å; A27-S101 WeakPolarHBondContact O-CA 3.45Å; A27-I102 PolarHBondContact O-N 3.5Å
28E96.8Very high92.5Very high2 Ų233.9 Ų33.91%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-116.3129.4-166.7-64-171.6-117.700112.7T31 G33 W34 V35 A36 F53 V54 T55 I102E28-T31 WeakPolarHBondContact OE2-CB 3.38Å; E28-T31 PolarHBondContact OE2-OG1 2.9Å; E28-G33 VanDerWaalsContact CD-CA 3.41Å; E28-G33 VanDerWaalsContact OE1-CA 3.23Å; E28-G33 WeakPolarHBondContact OE1-CA 3.35Å; E28-G33 VanDerWaalsContact OE2-CA 3.24Å; E28-G33 WeakPolarHBondContact OE2-CA 2.9Å; E28-G33 PolarHBondContact OE2-N 3.43Å; E28-W34 PolarHBondContact OE2-N 3.4Å; E28-V35 VanDerWaalsContact CD-CB 3.43Å; E28-V35 HydrophobicContact CG-CB 4.08Å; E28-V35 HydrophobicContact CG-CG2 4.11Å; E28-V35 PolarHBondContact OE1-N 3.32Å; E28-V35 WeakPolarHBondContact OE2-CG2 3.1Å; E28-V35 PolarHBondContact OE2-N 3.2Å; E28-A36 WeakPolarHBondContact OE1-CB 3.22Å; E28-A36 PolarHBondContact OE1-N 2.98Å; E28-F53 PolarHBondContact N-O 3.39Å; E28-V54 CarbonylContact O-C 3.59Å; E28-V54 WeakPolarHBondContact O-CA 3.3Å; E28-T55 PolarHBondContact O-N 2.97Å; E28-I102 HydrophobicContact CB-CG2 4.16Å; E28-I102 HydrophobicContact CG-CG2 3.97Å
29S95.4Very high92.6Very high9 Ų927.4 Ų27.46%0.06318%0.175CC..SBendtrans-107-86169-178.50000110.1T31 G32 Y56 K61 I102S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 2.95Å; S29-T31 VanDerWaalsContact O-N 3.13Å; S29-G32 PolarHBondContact O-N 2.94Å; S29-G32 VanDerWaalsContact O-N 3.13Å; S29-Y56 WeakPolarHBondContact O-CD2 3.42Å; S29-Y56 WeakPolarHBondContact O-CE2 3.42Å; S29-K61 PolarHBondContact OG-NZ 3.49Å; S29-I102 WeakPolarHBondContact CB-O 3.3Å; S29-I102 PolarHBondContact N-O 2.86Å
30C93.2Very high92.8Very high3 Ų325.5 Ų25.52%0.0215%0.154CC..THydrogen-bonded Turntrans-65.4-21.8-170.758.70000115.2G104 R146C30-G104 WeakPolarHBondContact CB-O 3.31Å; C30-R146 WeakPolarHBondContact O-CD 3.32Å; C30-R146 WeakPolarHBondContact O-CG 3.46Å; C30-R146 PolarHBondContact O-NE 3.39Å
31T93.1Very high93.1Very high0 Ų024.2 Ų24.20%016%0.155CC..THydrogen-bonded Turntrans-83.9-21.3177.746.70000113.7E28 S29 G33 W34 V35 I102 R146 T150E28-T31 WeakPolarHBondContact OE2-CB 3.38Å; E28-T31 PolarHBondContact OE2-OG1 2.9Å; S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 2.95Å; S29-T31 VanDerWaalsContact O-N 3.13Å; T31-G33 PolarHBondContact O-N 3.43Å; T31-W34 VanDerWaalsContact O-CD1 3.29Å; T31-W34 PolarHBondContact O-N 3.23Å; T31-V35 HydrophobicContact CG2-CG2 4.39Å; T31-I102 HydrophobicContact CG2-CD1 3.52Å; T31-I102 WeakPolarHBondContact OG1-CG2 3.49Å; T31-R146 PolarHBondContact O-NE 3Å; T31-R146 PolarHBondContact O-NH2 3.22Å; T31-T150 WeakPolarHBondContact CG2-OG1 3.49Å
32G91.8Very high93Very high35 Ų3522.7 Ų22.736%0.36113%0.131SC..THydrogen-bonded Turntrans57.939.8174.100000114.9S29S29-G32 PolarHBondContact O-N 2.94Å; S29-G32 VanDerWaalsContact O-N 3.13Å
33G93.5Very high93Very high17 Ų1727 Ų2718%0.17517%0.167CC..THydrogen-bonded Turntrans98.53175.800000115.1E28 T31 K37E28-G33 VanDerWaalsContact CD-CA 3.41Å; E28-G33 VanDerWaalsContact OE1-CA 3.23Å; E28-G33 WeakPolarHBondContact OE1-CA 3.35Å; E28-G33 VanDerWaalsContact OE2-CA 3.24Å; E28-G33 WeakPolarHBondContact OE2-CA 2.9Å; E28-G33 PolarHBondContact OE2-N 3.43Å; T31-G33 PolarHBondContact O-N 3.43Å; G33-K37 WeakPolarHBondContact O-CB 3.38Å; G33-K37 PolarHBondContact O-N 3.4Å
34W92.8Very high92.9Very high64 Ų6427.2 Ų27.224%0.24218%0.177CC..Hα-helixtrans-71.2-29.9-178.8-75.622000113.1E28 T31 K37 V38 D143 R146 R147 T150E28-W34 PolarHBondContact OE2-N 3.4Å; T31-W34 VanDerWaalsContact O-CD1 3.29Å; T31-W34 PolarHBondContact O-N 3.23Å; W34-K37 WeakPolarHBondContact O-CB 3.37Å; W34-K37 PolarHBondContact O-N 3.45Å; W34-V38 WeakPolarHBondContact O-CG2 3.34Å; W34-V38 PolarHBondContact O-N 3.25Å; W34-D143 WeakPolarHBondContact CH2-OD1 3.44Å; W34-R146 HydrophobicContact CE3-CB 4.18Å; W34-R146 HydrophobicContact CZ3-CB 4.09Å; W34-R146 VanDerWaalsContact NE1-NH2 3.17Å; W34-R147 HydrophobicContact CH2-CG 4.33Å; W34-R147 HydrophobicContact CZ3-CG 3.58Å; W34-T150 HydrophobicContact CB-CG2 4.07Å
35V92.8Very high92.8Very high1 Ų127.9 Ų27.91%0.00618%0.182CC..Hα-helixtrans-67.5-47.3175.4-174.40000109.7T26 E28 T31 K37 V38 I39 V100 I102 T150 I153T26-V35 HydrophobicContact CG2-CB 4.29Å; T26-V35 HydrophobicContact CG2-CG1 3.84Å; E28-V35 VanDerWaalsContact CD-CB 3.43Å; E28-V35 HydrophobicContact CG-CB 4.08Å; E28-V35 HydrophobicContact CG-CG2 4.11Å; E28-V35 PolarHBondContact OE1-N 3.32Å; E28-V35 WeakPolarHBondContact OE2-CG2 3.1Å; E28-V35 PolarHBondContact OE2-N 3.2Å; T31-V35 HydrophobicContact CG2-CG2 4.39Å; V35-K37 VanDerWaalsContact C-N 3.29Å; V35-K37 PolarHBondContact O-N 2.98Å; V35-V38 PolarHBondContact O-N 3.09Å; V35-I39 HydrophobicContact CG1-CD1 3.88Å; V35-I39 WeakPolarHBondContact O-CG1 3.37Å; V35-I39 PolarHBondContact O-N 3.35Å; V35-V100 HydrophobicContact CG1-CG2 4.08Å; V35-I102 HydrophobicContact CG2-CG2 4.27Å; V35-T150 HydrophobicContact CG2-CG2 4.24Å; V35-I153 HydrophobicContact CB-CG2 4.25Å; V35-I153 HydrophobicContact CG1-CG2 3.77Å; V35-I153 HydrophobicContact CG2-CG2 3.4Å; V35-I153 VanDerWaalsContact CG2-CG2 3.4Å
36A93.8Very high92.7Very high17 Ų1733.3 Ų33.314%0.1422%0.22CC..Hα-helixtrans-56.4-45.1172.700000111.1E28 V38 I39 T40 F49E28-A36 WeakPolarHBondContact OE1-CB 3.22Å; E28-A36 PolarHBondContact OE1-N 2.98Å; A36-V38 PolarHBondContact O-N 3.22Å; A36-I39 PolarHBondContact O-N 3.48Å; A36-T40 WeakPolarHBondContact O-CB 3.39Å; A36-T40 WeakPolarHBondContact O-CG2 3.26Å; A36-T40 PolarHBondContact O-N 3.33Å; A36-T40 PolarHBondContact O-OG1 2.93Å; A36-F49 HydrophobicContact CB-CE2 4.21Å; A36-F49 HydrophobicContact CB-CZ 3.69Å
37K92.5Very high92.5Very high105 Ų10536 Ų3646%0.45724%0.242SC..Hα-helixtrans-56.6-47.9177.2-173.5-127.6170.7-151.80111.6G33 W34 V35 T40 D41G33-K37 WeakPolarHBondContact O-CB 3.38Å; G33-K37 PolarHBondContact O-N 3.4Å; W34-K37 WeakPolarHBondContact O-CB 3.37Å; W34-K37 PolarHBondContact O-N 3.45Å; V35-K37 VanDerWaalsContact C-N 3.29Å; V35-K37 PolarHBondContact O-N 2.98Å; K37-T40 PolarHBondContact O-N 2.99Å; K37-T40 PolarHBondContact O-OG1 3.03Å; K37-D41 IonicContact NZ-OD1 3.96Å; K37-D41 IonicContact NZ-OD2 3.76Å; K37-D41 WeakPolarHBondContact O-CB 3.07Å; K37-D41 PolarHBondContact O-N 2.96Å
38V90.4Very high92.3Very high4 Ų436.5 Ų36.52%0.02424%0.244CC..Hα-helixtrans-62.9-49.2178.2170.30000111.2L6 S10 W34 V35 A36 T40 D41 T150 A154L6-V38 HydrophobicContact CD2-CG2 4.1Å; S10-V38 WeakPolarHBondContact CB-O 3.4Å; S10-V38 WeakPolarHBondContact OG-CG1 3.24Å; S10-V38 PolarHBondContact OG-O 2.84Å; W34-V38 WeakPolarHBondContact O-CG2 3.34Å; W34-V38 PolarHBondContact O-N 3.25Å; V35-V38 PolarHBondContact O-N 3.09Å; A36-V38 PolarHBondContact O-N 3.22Å; V38-T40 PolarHBondContact O-N 2.92Å; V38-T40 VanDerWaalsContact O-N 3.16Å; V38-D41 PolarHBondContact O-N 3.25Å; V38-T150 HydrophobicContact CB-CG2 4.31Å; V38-T150 HydrophobicContact CG2-CG2 3.63Å; V38-A154 HydrophobicContact CG1-CB 3.84Å
39I90.2Very high92.2Very high5 Ų537.9 Ų37.93%0.02625%0.25CC..Hα-helixtrans-64.1-27.4-178.5-62.4170.4000112.4V13 V24 T26 V35 A36 W48 F49 V100V13-I39 HydrophobicContact CG1-CG1 4.45Å; V13-I39 HydrophobicContact CG1-CG2 4.31Å; V24-I39 HydrophobicContact CG1-CD1 4.38Å; V24-I39 HydrophobicContact CG1-CG2 3.88Å; T26-I39 HydrophobicContact CG2-CD1 3.77Å; V35-I39 HydrophobicContact CG1-CD1 3.88Å; V35-I39 WeakPolarHBondContact O-CG1 3.37Å; V35-I39 PolarHBondContact O-N 3.35Å; A36-I39 PolarHBondContact O-N 3.48Å; I39-W48 PolarHBondContact O-NE1 3.3Å; I39-F49 HydrophobicContact CB-CD2 4.14Å; I39-F49 HydrophobicContact CB-CE2 4.48Å; I39-F49 HydrophobicContact CG2-CB 4.35Å; I39-F49 HydrophobicContact CG2-CD2 3.64Å; I39-F49 HydrophobicContact CG2-CE2 4.41Å; I39-F49 HydrophobicContact CG2-CG 4.39Å; I39-V100 HydrophobicContact CD1-CG2 4.41Å
40T92.4Very high92.2Very high49 Ų4941.4 Ų41.430%0.30127%0.265SS..Hα-helixtrans-98.9-2.8-17859.10000114.8A36 K37 V38 I42 S45 F49A36-T40 WeakPolarHBondContact O-CB 3.39Å; A36-T40 WeakPolarHBondContact O-CG2 3.26Å; A36-T40 PolarHBondContact O-N 3.33Å; A36-T40 PolarHBondContact O-OG1 2.93Å; K37-T40 PolarHBondContact O-N 2.99Å; K37-T40 PolarHBondContact O-OG1 3.03Å; V38-T40 PolarHBondContact O-N 2.92Å; V38-T40 VanDerWaalsContact O-N 3.16Å; T40-I42 PolarHBondContact O-N 3.02Å; T40-S45 PolarHBondContact O-OG 3.22Å; T40-F49 HydrophobicContact CG2-CB 3.86Å; T40-F49 HydrophobicContact CG2-CD1 3.41Å; T40-F49 VanDerWaalsContact CG2-CD1 3.41Å; T40-F49 HydrophobicContact CG2-CD2 4Å; T40-F49 HydrophobicContact CG2-CE1 3.87Å; T40-F49 HydrophobicContact CG2-CE2 4.4Å; T40-F49 HydrophobicContact CG2-CG 3.46Å; T40-F49 VanDerWaalsContact CG2-CG 3.46Å; T40-F49 HydrophobicContact CG2-CZ 4.34Å
41D90Very high92.3Very high77 Ų7746.5 Ų46.541%0.41228%0.284SS..SBendtrans-64.5-22.8-175.4-135.632.4000112.2K37 V38K37-D41 IonicContact NZ-OD1 3.96Å; K37-D41 IonicContact NZ-OD2 3.76Å; K37-D41 WeakPolarHBondContact O-CB 3.07Å; K37-D41 PolarHBondContact O-N 2.96Å; V38-D41 PolarHBondContact O-N 3.25Å
42I89.1Confident92.4Very high35 Ų3548.3 Ų48.318%0.17930%0.303CS..SBendtrans-91.8131.6176.7-54.8-56.9000111.2M7 E11 T40 S45 W48M7-I42 HydrophobicContact CE-CD1 4.46Å; M7-I42 HydrophobicContact CG-CD1 4.42Å; E11-I42 HydrophobicContact CG-CD1 3.52Å; E11-I42 HydrophobicContact CG-CG1 3.93Å; T40-I42 PolarHBondContact O-N 3.02Å; I42-S45 WeakPolarHBondContact O-CB 3.3Å; I42-S45 PolarHBondContact O-N 3Å; I42-S45 PolarHBondContact O-OG 3.24Å; I42-W48 HydrophobicContact CB-CZ2 4.32Å; I42-W48 HydrophobicContact CG2-CH2 4.43Å
43A90.6Very high92.6Very high96 Ų9647.7 Ų47.779%0.79329%0.29SS*.THydrogen-bonded Turntrans-57138.9176.400000112.3
44G90.8Very high92.8Very high44 Ų4450.2 Ų50.245%0.45430%0.302SS..THydrogen-bonded Turntrans90.17.2-17500000114.3S46 A47 W48G44-S46 PolarHBondContact O-N 2.88Å; G44-A47 WeakPolarHBondContact O-CB 3.46Å; G44-A47 PolarHBondContact O-N 2.6Å; G44-W48 VanDerWaalsContact O-CZ3 3.29Å; G44-W48 WeakPolarHBondContact O-CZ3 3.47Å
45S92.3Very high92.9Very high22 Ų2247.2 Ų47.215%0.15429%0.291CS..G310 helixtrans-57.8-17.9179.850.90000115.5T40 I42 A47 W48 F49T40-S45 PolarHBondContact O-OG 3.22Å; I42-S45 WeakPolarHBondContact O-CB 3.3Å; I42-S45 PolarHBondContact O-N 3Å; I42-S45 PolarHBondContact O-OG 3.24Å; S45-A47 PolarHBondContact O-N 2.69Å; S45-W48 VanDerWaalsContact CA-CE2 3.43Å; S45-W48 VanDerWaalsContact CA-CZ2 3.41Å; S45-W48 PolarHBondContact O-N 3.07Å; S45-F49 WeakPolarHBondContact O-CB 3.46Å; S45-F49 PolarHBondContact O-N 3.21Å
46S93.1Very high92.9Very high114 Ų11453.1 Ų53.180%0.79731%0.314SS*.G310 helixtrans-59.3-16.5169.763.20000114.2G44G44-S46 PolarHBondContact O-N 2.88Å
47A92.1Very high92.9Very high56 Ų5655.1 Ų55.146%0.46333%0.327SS..G310 helixtrans-79.4-16.717600000113.4G44 S45G44-A47 WeakPolarHBondContact O-CB 3.46Å; G44-A47 PolarHBondContact O-N 2.6Å; S45-A47 PolarHBondContact O-N 2.69Å
48W92.7Very high93Very high11 Ų1154 Ų544%0.04233%0.325CS..THydrogen-bonded Turntrans-138.1-16.4-176.759.881.1000115G14 L17 K18 T23 V24 I39 I42 G44 S45G14-W48 VanDerWaalsContact CA-CE2 3.47Å; L17-W48 HydrophobicContact CB-CB 3.52Å; L17-W48 HydrophobicContact CB-CG 4.12Å; L17-W48 HydrophobicContact CD1-CB 3.9Å; L17-W48 HydrophobicContact CD1-CG 4.08Å; L17-W48 HydrophobicContact CG-CB 4.34Å; K18-W48 HydrophobicContact CB-CE3 4.15Å; K18-W48 HydrophobicContact CB-CZ3 4.48Å; K18-W48 HydrophobicContact CD-CZ3 4.27Å; T23-W48 CarbonylContact C-O 3.6Å; T23-W48 VanDerWaalsContact CA-O 3.24Å; T23-W48 WeakPolarHBondContact CA-O 3.39Å; V24-W48 WeakPolarHBondContact CG1-O 3.29Å; V24-W48 PolarHBondContact N-O 2.74Å; I39-W48 PolarHBondContact O-NE1 3.3Å; I42-W48 HydrophobicContact CB-CZ2 4.32Å; I42-W48 HydrophobicContact CG2-CH2 4.43Å; G44-W48 VanDerWaalsContact O-CZ3 3.29Å; G44-W48 WeakPolarHBondContact O-CZ3 3.47Å; S45-W48 VanDerWaalsContact CA-CE2 3.43Å; S45-W48 VanDerWaalsContact CA-CZ2 3.41Å; S45-W48 PolarHBondContact O-N 3.07Å
49F94.6Very high93.2Very high32 Ų3259.7 Ų59.714%0.1435%0.352CS..EExtended strand (participates in β ladder)trans-106.3119.2178-172.5-95.9000109.9V24 T26 A36 I39 T40 S45 R51V24-F49 HydrophobicContact CG1-CD2 4.05Å; T26-F49 HydrophobicContact CG2-CE2 3.75Å; T26-F49 HydrophobicContact CG2-CZ 4.39Å; A36-F49 HydrophobicContact CB-CE2 4.21Å; A36-F49 HydrophobicContact CB-CZ 3.69Å; I39-F49 HydrophobicContact CB-CD2 4.14Å; I39-F49 HydrophobicContact CB-CE2 4.48Å; I39-F49 HydrophobicContact CG2-CB 4.35Å; I39-F49 HydrophobicContact CG2-CD2 3.64Å; I39-F49 HydrophobicContact CG2-CE2 4.41Å; I39-F49 HydrophobicContact CG2-CG 4.39Å; T40-F49 HydrophobicContact CG2-CB 3.86Å; T40-F49 HydrophobicContact CG2-CD1 3.41Å; T40-F49 VanDerWaalsContact CG2-CD1 3.41Å; T40-F49 HydrophobicContact CG2-CD2 4Å; T40-F49 HydrophobicContact CG2-CE1 3.87Å; T40-F49 HydrophobicContact CG2-CE2 4.4Å; T40-F49 HydrophobicContact CG2-CG 3.46Å; T40-F49 VanDerWaalsContact CG2-CG 3.46Å; T40-F49 HydrophobicContact CG2-CZ 4.34Å; S45-F49 WeakPolarHBondContact O-CB 3.46Å; S45-F49 PolarHBondContact O-N 3.21Å; F49-R51 VanDerWaalsContact CE1-C 3.44Å; F49-R51 VanDerWaalsContact CZ-O 3.29Å; F49-R51 WeakPolarHBondContact CZ-O 3.36Å
50E94.2Very high93.5Very high82 Ų8260.2 Ų60.238%0.38336%0.357SS..EExtended strand (participates in β ladder)trans-89.5-55.9-177.4171.643.7-161.200112V24 A94V24-E50 PolarHBondContact O-N 2.85Å; E50-A94 HydrophobicContact CG-CB 4.09Å
51R95Very high93.7Very high111 Ų11157.9 Ų57.942%0.41934%0.343SS..EExtended strand (participates in β ladder)trans-164.2169.7175.862.8-169.967.7-170.3-0.7111.3T25 T26 F49 F53 A94T25-R51 VanDerWaalsContact CA-O 3.28Å; T25-R51 WeakPolarHBondContact CA-O 3.38Å; T25-R51 PolarHBondContact OG1-O 2.8Å; T26-R51 PolarHBondContact N-O 3.36Å; F49-R51 VanDerWaalsContact CE1-C 3.44Å; F49-R51 VanDerWaalsContact CZ-O 3.29Å; F49-R51 WeakPolarHBondContact CZ-O 3.36Å; R51-F53 HydrophobicContact CG-CE2 3.93Å; R51-F53 HydrophobicContact CG-CZ 3.98Å; R51-A94 HydrophobicContact CG-CB 3.72Å
52G95.5Very high93.9Very high38 Ų3855.3 Ų55.339%0.39233%0.332SS..EExtended strand (participates in β ladder)trans-127.2147.3171.800000111.6T26T26-G52 CarbonylContact O-C 3.56Å; T26-G52 VanDerWaalsContact OG1-CA 3.27Å; T26-G52 WeakPolarHBondContact OG1-CA 3.42Å
53F97.3Very high94.1Very high21 Ų2160.3 Ų60.39%0.09236%0.355CS..EExtended strand (participates in β ladder)trans-115.5111.2176.1-58.6-84.8000108.8T26 A27 E28 R51 T55 M64 I65 A90 A93 A94T26-F53 WeakPolarHBondContact O-CD2 3.23Å; T26-F53 PolarHBondContact O-N 2.83Å; A27-F53 CarbonylContact C-O 3.49Å; A27-F53 WeakPolarHBondContact CA-O 3.37Å; E28-F53 PolarHBondContact N-O 3.39Å; R51-F53 HydrophobicContact CG-CE2 3.93Å; R51-F53 HydrophobicContact CG-CZ 3.98Å; F53-T55 HydrophobicContact CB-CG2 4.04Å; F53-T55 PolarHBondContact O-N 2.96Å; F53-M64 HydrophobicContact CD1-CB 4.49Å; F53-M64 HydrophobicContact CD1-CE 4.19Å; F53-I65 HydrophobicContact CB-CG2 4.02Å; F53-I65 HydrophobicContact CD1-CG2 3.78Å; F53-I65 HydrophobicContact CD2-CG2 3.92Å; F53-I65 HydrophobicContact CE1-CG2 4.19Å; F53-I65 HydrophobicContact CE2-CG2 4.31Å; F53-I65 HydrophobicContact CG-CG2 3.64Å; F53-I65 HydrophobicContact CZ-CG2 4.44Å; F53-A90 HydrophobicContact CD2-CB 3.63Å; F53-A90 HydrophobicContact CE2-CB 3.81Å; F53-A93 HydrophobicContact CE1-CB 4.07Å; F53-A93 HydrophobicContact CE2-CB 4.21Å; F53-A93 HydrophobicContact CZ-CB 3.48Å; F53-A93 VanDerWaalsContact CZ-CB 3.48Å; F53-A94 HydrophobicContact CE2-CB 4.23Å
54V97.3Very high94.3Very high71 Ų7160.1 Ų60.143%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-90.2100.1169.9-179.10000108.3E28E28-V54 CarbonylContact O-C 3.59Å; E28-V54 WeakPolarHBondContact O-CA 3.3Å
55T95.4Very high94.4Very high0 Ų058.4 Ų58.40%032%0.319CS..  trans-113.267.1-174.758.80000111E28 F53 A60 K61 M64 I65 M86E28-T55 PolarHBondContact O-N 2.97Å; F53-T55 HydrophobicContact CB-CG2 4.04Å; F53-T55 PolarHBondContact O-N 2.96Å; T55-A60 HydrophobicContact CG2-CB 4.44Å; T55-K61 WeakPolarHBondContact O-CE 3.34Å; T55-K61 WeakPolarHBondContact O-CG 3.24Å; T55-K61 PolarHBondContact O-NZ 3.13Å; T55-M64 HydrophobicContact CG2-CB 4.14Å; T55-M64 HydrophobicContact CG2-SD 3.99Å; T55-I65 HydrophobicContact CG2-CD1 3.65Å; T55-I65 HydrophobicContact CG2-CG1 4.03Å; T55-M86 WeakPolarHBondContact OG1-CE 3.48Å
56Y92.7Very high94.4Very high126 Ų12660 Ų6049%0.49434%0.339SS..  trans-68.8-46.3-174.4-157.3-84.8000112.5S29 K61 R142S29-Y56 WeakPolarHBondContact O-CD2 3.42Å; S29-Y56 WeakPolarHBondContact O-CE2 3.42Å; Y56-K61 PolarHBondContact O-NZ 2.98Å; Y56-R142 PolarHBondContact OH-NH2 2.92Å
57S93.4Very high94.4Very high58 Ų5854.7 Ų54.741%0.40630%0.302SS..SBendtrans-81161.2177.867.90000112.5E59 A60 K61S57-E59 VanDerWaalsContact C-N 3.3Å; S57-A60 PolarHBondContact O-N 3.03Å; S57-A60 WeakPolarHBondContact OG-CB 3.43Å; S57-A60 PolarHBondContact OG-N 2.65Å; S57-K61 WeakPolarHBondContact O-CG 3.43Å; S57-K61 PolarHBondContact O-N 3.32Å; S57-K61 PolarHBondContact O-NZ 3.07Å
58N94.7Very high94.5Very high81 Ų8159 Ų5943%0.43331%0.306SS..Hα-helixtrans-62.3-40.6171.9-75.72.5000111.4A60 K61 A62 L72 A77N58-A60 PolarHBondContact O-N 2.96Å; N58-K61 WeakPolarHBondContact O-CB 3.39Å; N58-K61 PolarHBondContact O-N 3.36Å; N58-A62 PolarHBondContact O-N 3.03Å; N58-L72 HydrophobicContact CB-CD1 4.05Å; N58-A77 WeakPolarHBondContact OD1-CB 3.42Å
59E94.5Very high94.4Very high124 Ų12465.6 Ų65.658%0.57934%0.337SS*.Hα-helixtrans-59-45.4175.9-175.8179-174.800112S57 K61 A62 Q63S57-E59 VanDerWaalsContact C-N 3.3Å; E59-K61 VanDerWaalsContact C-N 3.33Å; E59-K61 PolarHBondContact O-N 2.98Å; E59-A62 PolarHBondContact O-N 2.78Å; E59-Q63 HydrophobicContact CG-CG 4.26Å; E59-Q63 VanDerWaalsContact CG-NE2 3.25Å; E59-Q63 WeakPolarHBondContact O-CB 3.49Å; E59-Q63 WeakPolarHBondContact O-CG 3.34Å; E59-Q63 PolarHBondContact O-N 2.94Å; E59-Q63 PolarHBondContact OE1-NE2 3.37Å
60A95.6Very high94.3Very high16 Ų1670.5 Ų70.513%0.13236%0.361CS..Hα-helixtrans-64.1-38177.700000112.2T55 S57 N58 A62 M64T55-A60 HydrophobicContact CG2-CB 4.44Å; S57-A60 PolarHBondContact O-N 3.03Å; S57-A60 WeakPolarHBondContact OG-CB 3.43Å; S57-A60 PolarHBondContact OG-N 2.65Å; N58-A60 PolarHBondContact O-N 2.96Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A60-M64 HydrophobicContact CB-SD 4.1Å; A60-M64 VanDerWaalsContact O-CB 3.26Å; A60-M64 WeakPolarHBondContact O-CB 3.47Å; A60-M64 WeakPolarHBondContact O-CG 3.37Å; A60-M64 PolarHBondContact O-N 3.16Å
61K96.6Very high94.1Very high0 Ų067 Ų670%035%0.345CS..Hα-helixtrans-61.6-43.2174.7-70.5177.5-175.465.80111.3S29 T55 Y56 S57 N58 E59 I65 G66 V67 L72 V82 M86S29-K61 PolarHBondContact OG-NZ 3.49Å; T55-K61 WeakPolarHBondContact O-CE 3.34Å; T55-K61 WeakPolarHBondContact O-CG 3.24Å; T55-K61 PolarHBondContact O-NZ 3.13Å; Y56-K61 PolarHBondContact O-NZ 2.98Å; S57-K61 WeakPolarHBondContact O-CG 3.43Å; S57-K61 PolarHBondContact O-N 3.32Å; S57-K61 PolarHBondContact O-NZ 3.07Å; N58-K61 WeakPolarHBondContact O-CB 3.39Å; N58-K61 PolarHBondContact O-N 3.36Å; E59-K61 VanDerWaalsContact C-N 3.33Å; E59-K61 PolarHBondContact O-N 2.98Å; K61-I65 CarbonylContact O-C 3.58Å; K61-I65 WeakPolarHBondContact O-CG1 3.42Å; K61-I65 PolarHBondContact O-N 2.77Å; K61-G66 PolarHBondContact O-N 3.39Å; K61-V67 HydrophobicContact CB-CB 3.91Å; K61-V67 HydrophobicContact CB-CG1 4.49Å; K61-V67 HydrophobicContact CB-CG2 3.87Å; K61-V67 PolarHBondContact O-N 2.85Å; K61-L72 HydrophobicContact CD-CD2 4.14Å; K61-V82 HydrophobicContact CD-CG1 4.03Å; K61-M86 HydrophobicContact CD-CG 4.48Å; K61-M86 HydrophobicContact CD-SD 4Å; K61-M86 HydrophobicContact CG-CG 4.46Å; K61-M86 HydrophobicContact CG-SD 4.32Å
62A94.5Very high94Very high24 Ų2462.3 Ų62.320%0.19833%0.328CS..Hα-helixtrans-70-49.2178.900000112.3N58 E59 A60 G66 V67N58-A62 PolarHBondContact O-N 3.03Å; E59-A62 PolarHBondContact O-N 2.78Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A62-G66 WeakPolarHBondContact O-CA 3.28Å; A62-G66 PolarHBondContact O-N 3.01Å; A62-V67 VanDerWaalsContact CA-O 3.32Å; A62-V67 WeakPolarHBondContact CA-O 3.35Å; A62-V67 WeakPolarHBondContact CB-O 3.47Å
63Q93.4Very high93.8Very high140 Ų14064.8 Ų64.865%0.65435%0.345SS*.Hα-helixtrans-74.5-40.4-173.1-70.5177.31.800113.7E59E59-Q63 HydrophobicContact CG-CG 4.26Å; E59-Q63 VanDerWaalsContact CG-NE2 3.25Å; E59-Q63 WeakPolarHBondContact O-CB 3.49Å; E59-Q63 WeakPolarHBondContact O-CG 3.34Å; E59-Q63 PolarHBondContact O-N 2.94Å; E59-Q63 PolarHBondContact OE1-NE2 3.37Å
64M94.1Very high93.5Very high92 Ų9270.9 Ų70.945%0.45337%0.374SS..Hα-helixtrans-87.7-36.2-171.4-60175.371.200112.8F53 T55 A60F53-M64 HydrophobicContact CD1-CB 4.49Å; F53-M64 HydrophobicContact CD1-CE 4.19Å; T55-M64 HydrophobicContact CG2-CB 4.14Å; T55-M64 HydrophobicContact CG2-SD 3.99Å; A60-M64 HydrophobicContact CB-SD 4.1Å; A60-M64 VanDerWaalsContact O-CB 3.26Å; A60-M64 WeakPolarHBondContact O-CB 3.47Å; A60-M64 WeakPolarHBondContact O-CG 3.37Å; A60-M64 PolarHBondContact O-N 3.16Å
65I93.9Very high93.3Very high7 Ų771 Ų714%0.03637%0.369CS..Hα-helixtrans-131.710.9-172.458.7-177.9000112.4A27 F53 T55 K61 V67 M86 G89 A90A27-I65 HydrophobicContact CB-CD1 3.91Å; F53-I65 HydrophobicContact CB-CG2 4.02Å; F53-I65 HydrophobicContact CD1-CG2 3.78Å; F53-I65 HydrophobicContact CD2-CG2 3.92Å; F53-I65 HydrophobicContact CE1-CG2 4.19Å; F53-I65 HydrophobicContact CE2-CG2 4.31Å; F53-I65 HydrophobicContact CG-CG2 3.64Å; F53-I65 HydrophobicContact CZ-CG2 4.44Å; T55-I65 HydrophobicContact CG2-CD1 3.65Å; T55-I65 HydrophobicContact CG2-CG1 4.03Å; K61-I65 CarbonylContact O-C 3.58Å; K61-I65 WeakPolarHBondContact O-CG1 3.42Å; K61-I65 PolarHBondContact O-N 2.77Å; I65-V67 VanDerWaalsContact C-N 3.34Å; I65-V67 HydrophobicContact CD1-CG2 4.49Å; I65-V67 HydrophobicContact CG1-CG2 4.2Å; I65-V67 PolarHBondContact O-N 3.5Å; I65-M86 HydrophobicContact CD1-CB 3.82Å; I65-M86 HydrophobicContact CD1-CE 4.48Å; I65-M86 HydrophobicContact CD1-CG 3.78Å; I65-G89 WeakPolarHBondContact O-CA 3.37Å; I65-A90 HydrophobicContact CG2-CB 4.2Å
66G92.1Very high93.2Very high55 Ų5572.3 Ų72.357%0.56738%0.383SS*.  trans67.528166.600000115.3K61 A62 R68K61-G66 PolarHBondContact O-N 3.39Å; A62-G66 WeakPolarHBondContact O-CA 3.28Å; A62-G66 PolarHBondContact O-N 3.01Å; G66-R68 PolarHBondContact O-N 2.67Å
67V93.7Very high93.2Very high4 Ų467.5 Ų67.52%0.02437%0.369CS..  trans-64.7130.3168.9178.80000108.7K61 A62 I65 L72 V82 E85 M86K61-V67 HydrophobicContact CB-CB 3.91Å; K61-V67 HydrophobicContact CB-CG1 4.49Å; K61-V67 HydrophobicContact CB-CG2 3.87Å; K61-V67 PolarHBondContact O-N 2.85Å; A62-V67 VanDerWaalsContact CA-O 3.32Å; A62-V67 WeakPolarHBondContact CA-O 3.35Å; A62-V67 WeakPolarHBondContact CB-O 3.47Å; I65-V67 VanDerWaalsContact C-N 3.34Å; I65-V67 HydrophobicContact CD1-CG2 4.49Å; I65-V67 HydrophobicContact CG1-CG2 4.2Å; I65-V67 PolarHBondContact O-N 3.5Å; V67-L72 HydrophobicContact CG1-CD1 4Å; V67-L72 HydrophobicContact CG1-CD2 4.15Å; V67-L72 HydrophobicContact CG1-CG 3.8Å; V67-V82 HydrophobicContact CG1-CG1 4.31Å; V67-E85 WeakPolarHBondContact CA-OE2 3.4Å; V67-E85 HydrophobicContact CB-CB 4.4Å; V67-E85 HydrophobicContact CG1-CB 4.24Å; V67-E85 WeakPolarHBondContact CG1-OE2 3.24Å; V67-E85 HydrophobicContact CG2-CB 4.01Å; V67-M86 HydrophobicContact CG2-CB 4.38Å; V67-M86 HydrophobicContact CG2-CG 3.62Å
68R93.1Very high93.3Very high147 Ų14765.6 Ų65.656%0.55536%0.355SS*.  trans-69.3137.6-175.6-69.3-179.5-69.2174.31.1111.1G66 E70 T71 L72 E85G66-R68 PolarHBondContact O-N 2.67Å; R68-E70 PolarHBondContact O-N 2.92Å; R68-T71 PolarHBondContact NE-OG1 3.28Å; R68-T71 PolarHBondContact O-N 3.14Å; R68-L72 PolarHBondContact O-N 3.04Å; R68-L72 VanDerWaalsContact O-N 3.13Å; R68-E85 IonicContact CZ-OE1 2.64Å; R68-E85 PolarHBondContact N-OE2 2.88Å; R68-E85 IonicContact NE-OE1 2.75Å; R68-E85 PolarHBondContact NE-OE1 3.24Å; R68-E85 IonicContact NE-OE2 3.09Å; R68-E85 IonicContact NH2-OE1 3.47Å; R68-E85 PolarHBondContact NH2-OE1 3.17Å
69E91.3Very high93.3Very high149 Ų14962.1 Ų62.170%0.69634%0.337SS*.Hα-helixtrans-62.2-35.1174.8-66.7-171.9172.600111.4T71 L72 A73E69-T71 PolarHBondContact O-N 3.09Å; E69-L72 PolarHBondContact O-N 3.3Å; E69-A73 WeakPolarHBondContact O-CB 3.11Å; E69-A73 PolarHBondContact O-N 2.97Å
70E91.5Very high93.2Very high135 Ų13559 Ų5963%0.63132%0.323SS*.Hα-helixtrans-63.4-42.8176.2-5694.8-178.700111.8R68 L72 A73 Q74R68-E70 PolarHBondContact O-N 2.92Å; E70-L72 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 2.84Å; E70-A73 PolarHBondContact O-N 3.06Å; E70-Q74 VanDerWaalsContact O-CB 3.32Å; E70-Q74 WeakPolarHBondContact O-CB 3.46Å; E70-Q74 PolarHBondContact O-N 2.78Å
71T91Very high93.1Very high8 Ų860.2 Ų60.25%0.04933%0.329CS..Hα-helixtrans-61.5-43.7177.4-58.60000111.2R68 E69 Q74 H75 P81 V82 E85R68-T71 PolarHBondContact NE-OG1 3.28Å; R68-T71 PolarHBondContact O-N 3.14Å; E69-T71 PolarHBondContact O-N 3.09Å; T71-Q74 PolarHBondContact O-N 3.23Å; T71-H75 PolarHBondContact O-N 3.1Å; T71-P81 HydrophobicContact CG2-CB 3.66Å; T71-V82 HydrophobicContact CG2-CG2 3.92Å; T71-E85 WeakPolarHBondContact CB-OE1 3.26Å; T71-E85 PolarHBondContact OG1-OE1 2.8Å; T71-E85 PolarHBondContact OG1-OE2 2.94Å
72L92.7Very high93Very high13 Ų1360.2 Ų60.27%0.06833%0.329CS..Hα-helixtrans-63.6-42.7177.1-73.9165.2000111.8N58 K61 V67 R68 E69 E70 G76 A77 V82N58-L72 HydrophobicContact CB-CD1 4.05Å; K61-L72 HydrophobicContact CD-CD2 4.14Å; V67-L72 HydrophobicContact CG1-CD1 4Å; V67-L72 HydrophobicContact CG1-CD2 4.15Å; V67-L72 HydrophobicContact CG1-CG 3.8Å; R68-L72 PolarHBondContact O-N 3.04Å; R68-L72 VanDerWaalsContact O-N 3.13Å; E69-L72 PolarHBondContact O-N 3.3Å; E70-L72 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 2.84Å; L72-G76 WeakPolarHBondContact O-CA 3.44Å; L72-G76 PolarHBondContact O-N 3.31Å; L72-A77 HydrophobicContact CD2-CB 4.28Å; L72-V82 HydrophobicContact CD2-CG1 4.15Å; L72-V82 HydrophobicContact CD2-CG2 3.91Å
73A91.4Very high93Very high90 Ų9059 Ų5974%0.74432%0.319SS*.Hα-helixtrans-66.8-40.6178.900000112.3E69 E70E69-A73 WeakPolarHBondContact O-CB 3.11Å; E69-A73 PolarHBondContact O-N 2.97Å; E70-A73 PolarHBondContact O-N 3.06Å
74Q91.5Very high93Very high149 Ų14953.4 Ų53.470%0.69629%0.294SS*.Hα-helixtrans-78-41.2-175.5-175.2176.60.600113.4E70 T71E70-Q74 VanDerWaalsContact O-CB 3.32Å; E70-Q74 WeakPolarHBondContact O-CB 3.46Å; E70-Q74 PolarHBondContact O-N 2.78Å; T71-Q74 PolarHBondContact O-N 3.23Å
75H92.1Very high93Very high73 Ų7350.1 Ų50.134%0.33828%0.278SS..Hα-helixtrans-111.8-15.1-170.3-60.8-75.1000114.2T71 S79 K115T71-H75 PolarHBondContact O-N 3.1Å; H75-S79 WeakPolarHBondContact CB-OG 3.46Å; H75-K115 PolarHBondContact O-NZ 2.85Å
76G92.8Very high93.1Very high28 Ų2849.8 Ų49.829%0.28928%0.276SS..  trans73.4159.7-170.900000112.9L72 V78 S79 V82L72-G76 WeakPolarHBondContact O-CA 3.44Å; L72-G76 PolarHBondContact O-N 3.31Å; G76-V78 PolarHBondContact O-N 3.35Å; G76-V78 VanDerWaalsContact O-N 3.08Å; G76-S79 WeakPolarHBondContact O-CB 3.35Å; G76-S79 PolarHBondContact O-OG 2.99Å; G76-V82 WeakPolarHBondContact O-CG2 3.39Å
77A93.8Very high93.2Very high25 Ų2547.1 Ų47.121%0.20725%0.249CC..SBendtrans-61.7-20.8-173.700000115.1N58 L72 V82 S103N58-A77 WeakPolarHBondContact OD1-CB 3.42Å; L72-A77 HydrophobicContact CD2-CB 4.28Å; A77-V82 WeakPolarHBondContact O-CG1 3.4Å; A77-S103 WeakPolarHBondContact O-CB 3.31Å; A77-S103 PolarHBondContact O-OG 2.83Å
78V94.9Very high93.1Very high18 Ų1848.6 Ų48.611%0.10926%0.256CS..SBendtrans-108.883.9179-178.60000107.9G76 I105 K115 T119G76-V78 PolarHBondContact O-N 3.35Å; G76-V78 VanDerWaalsContact O-N 3.08Å; V78-I105 HydrophobicContact CB-CG1 4.41Å; V78-I105 HydrophobicContact CG1-CD1 4.48Å; V78-I105 HydrophobicContact CG1-CG1 4.31Å; V78-I105 HydrophobicContact CG2-CG1 3.97Å; V78-K115 WeakPolarHBondContact O-CE 2.9Å; V78-K115 PolarHBondContact O-NZ 2.77Å; V78-T119 HydrophobicContact CG1-CG2 4.17Å
79S94.4Very high93.1Very high7 Ų742.1 Ų42.15%0.04924%0.235CC..SBendtrans-159.8158.9-176.362.50000110.7H75 G76 V82 V83H75-S79 WeakPolarHBondContact CB-OG 3.46Å; G76-S79 WeakPolarHBondContact O-CB 3.35Å; G76-S79 PolarHBondContact O-OG 2.99Å; S79-V82 PolarHBondContact O-N 3.32Å; S79-V82 VanDerWaalsContact OG-CG2 3.28Å; S79-V82 WeakPolarHBondContact OG-CG2 3.28Å; S79-V83 PolarHBondContact O-N 2.89Å
80E93.8Very high93.2Very high60 Ų6035 Ų3528%0.2820%0.202SC..Hα-helixtrans-56.7-49.3176-170.4177-158.500113.3V82 V83 V84 W121 T133E80-V82 VanDerWaalsContact C-N 3.25Å; E80-V82 PolarHBondContact O-N 3.43Å; E80-V83 WeakPolarHBondContact O-CG2 3.21Å; E80-V83 PolarHBondContact O-N 2.73Å; E80-V84 HydrophobicContact CG-CG2 4.48Å; E80-V84 WeakPolarHBondContact O-CB 3.48Å; E80-V84 WeakPolarHBondContact O-CG2 3.29Å; E80-V84 PolarHBondContact O-N 3.18Å; E80-W121 HydrophobicContact CB-CD2 4.22Å; E80-W121 HydrophobicContact CB-CE3 3.75Å; E80-W121 HydrophobicContact CB-CH2 3.72Å; E80-W121 HydrophobicContact CB-CZ2 4.18Å; E80-W121 HydrophobicContact CB-CZ3 3.5Å; E80-W121 VanDerWaalsContact CB-CZ3 3.5Å; E80-W121 HydrophobicContact CG-CE3 4.13Å; E80-W121 HydrophobicContact CG-CH2 4.29Å; E80-W121 HydrophobicContact CG-CZ3 3.73Å; E80-T133 HydrophobicContact CG-CG2 3.85Å; E80-T133 WeakPolarHBondContact OE1-CB 3.49Å; E80-T133 PolarHBondContact OE1-OG1 3.33Å
81P92.2Very high93.2Very high40 Ų4029.7 Ų29.726%0.2618%0.178SC..Hα-helixtrans-63.2-34.1-176.8-23.937.7000112.5T71 V84 E85T71-P81 HydrophobicContact CG2-CB 3.66Å; P81-V84 WeakPolarHBondContact O-CB 3.27Å; P81-E85 WeakPolarHBondContact O-CG 3.28Å; P81-E85 PolarHBondContact O-N 2.91Å
82V95.1Very high93.1Very high0 Ų035.4 Ų35.40%020%0.202CC..Hα-helixtrans-68.5-46.3178.9171.40000111.2K61 V67 T71 L72 G76 A77 S79 E80 V84 E85 M86K61-V82 HydrophobicContact CD-CG1 4.03Å; V67-V82 HydrophobicContact CG1-CG1 4.31Å; T71-V82 HydrophobicContact CG2-CG2 3.92Å; L72-V82 HydrophobicContact CD2-CG1 4.15Å; L72-V82 HydrophobicContact CD2-CG2 3.91Å; G76-V82 WeakPolarHBondContact O-CG2 3.39Å; A77-V82 WeakPolarHBondContact O-CG1 3.4Å; S79-V82 PolarHBondContact O-N 3.32Å; S79-V82 VanDerWaalsContact OG-CG2 3.28Å; S79-V82 WeakPolarHBondContact OG-CG2 3.28Å; E80-V82 VanDerWaalsContact C-N 3.25Å; E80-V82 PolarHBondContact O-N 3.43Å; V82-V84 VanDerWaalsContact C-N 3.29Å; V82-V84 PolarHBondContact O-N 2.99Å; V82-E85 PolarHBondContact O-N 2.82Å; V82-M86 HydrophobicContact CG1-CG 4.25Å; V82-M86 HydrophobicContact CG1-SD 3.92Å; V82-M86 WeakPolarHBondContact O-CB 3.48Å; V82-M86 WeakPolarHBondContact O-CG 3.11Å; V82-M86 PolarHBondContact O-N 3.44Å
83V95.2Very high93Very high0 Ų036.9 Ų36.90%022%0.216CC..Hα-helixtrans-66.6-34.8178.4-65.60000111.7S79 E80 M86 A87 S101 W121 A123S79-V83 PolarHBondContact O-N 2.89Å; E80-V83 WeakPolarHBondContact O-CG2 3.21Å; E80-V83 PolarHBondContact O-N 2.73Å; V83-M86 PolarHBondContact O-N 3.43Å; V83-A87 PolarHBondContact O-N 3.01Å; V83-S101 VanDerWaalsContact C-OG 3.31Å; V83-S101 WeakPolarHBondContact CB-OG 3.36Å; V83-S101 WeakPolarHBondContact O-CB 3.39Å; V83-S101 PolarHBondContact O-OG 3.1Å; V83-W121 HydrophobicContact CB-CB 4.45Å; V83-W121 HydrophobicContact CG1-CB 3.71Å; V83-W121 HydrophobicContact CG2-CB 3.88Å; V83-A123 HydrophobicContact CB-CB 4.08Å; V83-A123 HydrophobicContact CG2-CB 3.95Å
84V93.3Very high93.1Very high22 Ų2232.9 Ų32.913%0.13318%0.183CC..Hα-helixtrans-57.6-52.5171.6155.30000111.2E80 P81 V82 M86 A87 I88 A123 T133 M172E80-V84 HydrophobicContact CG-CG2 4.48Å; E80-V84 WeakPolarHBondContact O-CB 3.48Å; E80-V84 WeakPolarHBondContact O-CG2 3.29Å; E80-V84 PolarHBondContact O-N 3.18Å; P81-V84 WeakPolarHBondContact O-CB 3.27Å; V82-V84 VanDerWaalsContact C-N 3.29Å; V82-V84 PolarHBondContact O-N 2.99Å; V84-M86 VanDerWaalsContact C-N 3.34Å; V84-M86 PolarHBondContact O-N 2.8Å; V84-A87 PolarHBondContact O-N 3.11Å; V84-I88 HydrophobicContact CG1-CD1 4Å; V84-I88 WeakPolarHBondContact O-CG1 3.36Å; V84-I88 PolarHBondContact O-N 2.72Å; V84-A123 HydrophobicContact CG2-CB 4.47Å; V84-T133 HydrophobicContact CG2-CG2 3.51Å; V84-M172 HydrophobicContact CB-CE 3.82Å; V84-M172 HydrophobicContact CB-SD 4.3Å; V84-M172 HydrophobicContact CG1-CE 3.55Å; V84-M172 HydrophobicContact CG1-SD 3.68Å; V84-M172 HydrophobicContact CG2-CE 3.88Å; V84-M172 HydrophobicContact CG2-SD 4.01Å; V84-M172 WeakPolarHBondContact O-CE 3.4Å
85E93.7Very high92.9Very high22 Ų2236.8 Ų36.810%0.10319%0.191CC..Hα-helixtrans-65.1-37.2178.1-73.9-178.6-171.100112.4V67 R68 T71 P81 V82 A87 I88 G89V67-E85 WeakPolarHBondContact CA-OE2 3.4Å; V67-E85 HydrophobicContact CB-CB 4.4Å; V67-E85 HydrophobicContact CG1-CB 4.24Å; V67-E85 WeakPolarHBondContact CG1-OE2 3.24Å; V67-E85 HydrophobicContact CG2-CB 4.01Å; R68-E85 IonicContact CZ-OE1 2.64Å; R68-E85 PolarHBondContact N-OE2 2.88Å; R68-E85 IonicContact NE-OE1 2.75Å; R68-E85 PolarHBondContact NE-OE1 3.24Å; R68-E85 IonicContact NE-OE2 3.09Å; R68-E85 IonicContact NH2-OE1 3.47Å; R68-E85 PolarHBondContact NH2-OE1 3.17Å; T71-E85 WeakPolarHBondContact CB-OE1 3.26Å; T71-E85 PolarHBondContact OG1-OE1 2.8Å; T71-E85 PolarHBondContact OG1-OE2 2.94Å; P81-E85 WeakPolarHBondContact O-CG 3.28Å; P81-E85 PolarHBondContact O-N 2.91Å; V82-E85 PolarHBondContact O-N 2.82Å; E85-A87 VanDerWaalsContact C-N 3.35Å; E85-A87 PolarHBondContact O-N 2.7Å; E85-I88 PolarHBondContact O-N 2.87Å; E85-G89 PolarHBondContact O-N 2.91Å
86M95.8Very high92.8Very high0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-59.5-45174.5-73.1174.859.100111.5A27 T55 K61 I65 V67 V82 V83 V84 A90A27-M86 HydrophobicContact CB-CB 4.06Å; A27-M86 HydrophobicContact CB-CE 3.93Å; A27-M86 WeakPolarHBondContact O-CE 3.19Å; T55-M86 WeakPolarHBondContact OG1-CE 3.48Å; K61-M86 HydrophobicContact CD-CG 4.48Å; K61-M86 HydrophobicContact CD-SD 4Å; K61-M86 HydrophobicContact CG-CG 4.46Å; K61-M86 HydrophobicContact CG-SD 4.32Å; I65-M86 HydrophobicContact CD1-CB 3.82Å; I65-M86 HydrophobicContact CD1-CE 4.48Å; I65-M86 HydrophobicContact CD1-CG 3.78Å; V67-M86 HydrophobicContact CG2-CB 4.38Å; V67-M86 HydrophobicContact CG2-CG 3.62Å; V82-M86 HydrophobicContact CG1-CG 4.25Å; V82-M86 HydrophobicContact CG1-SD 3.92Å; V82-M86 WeakPolarHBondContact O-CB 3.48Å; V82-M86 WeakPolarHBondContact O-CG 3.11Å; V82-M86 PolarHBondContact O-N 3.44Å; V83-M86 PolarHBondContact O-N 3.43Å; V84-M86 VanDerWaalsContact C-N 3.34Å; V84-M86 PolarHBondContact O-N 2.8Å; M86-A90 VanDerWaalsContact O-CB 3.28Å; M86-A90 WeakPolarHBondContact O-CB 3.37Å; M86-A90 PolarHBondContact O-N 3.13Å
87A94Very high92.7Very high0 Ų035.4 Ų35.40%018%0.18CC..Hα-helixtrans-66-47.1179.400000111.6V83 V84 E85 G89 A90 L91 A99 A123 A125 M172V83-A87 PolarHBondContact O-N 3.01Å; V84-A87 PolarHBondContact O-N 3.11Å; E85-A87 VanDerWaalsContact C-N 3.35Å; E85-A87 PolarHBondContact O-N 2.7Å; A87-G89 VanDerWaalsContact C-N 3.32Å; A87-G89 PolarHBondContact O-N 3.13Å; A87-A90 PolarHBondContact O-N 2.8Å; A87-L91 VanDerWaalsContact O-CB 3.32Å; A87-L91 WeakPolarHBondContact O-CB 3.24Å; A87-L91 PolarHBondContact O-N 2.75Å; A87-A99 HydrophobicContact CB-CB 4.33Å; A87-A99 VanDerWaalsContact O-CB 3.27Å; A87-A99 WeakPolarHBondContact O-CB 3.45Å; A87-A123 HydrophobicContact CB-CB 4.2Å; A87-A125 HydrophobicContact CB-CB 3.82Å; A87-M172 HydrophobicContact CB-CE 4.48Å
88I90.9Very high92.6Very high34 Ų3436 Ų3617%0.17418%0.178CC..Hα-helixtrans-61-44.2177.5-67.2164000110.9V84 E85 L91 K92 M172V84-I88 HydrophobicContact CG1-CD1 4Å; V84-I88 WeakPolarHBondContact O-CG1 3.36Å; V84-I88 PolarHBondContact O-N 2.72Å; E85-I88 PolarHBondContact O-N 2.87Å; I88-L91 PolarHBondContact O-N 3Å; I88-K92 HydrophobicContact CG2-CD 4.17Å; I88-K92 WeakPolarHBondContact O-CG 3.34Å; I88-K92 PolarHBondContact O-N 2.73Å; I88-M172 HydrophobicContact CD1-CB 3.91Å; I88-M172 HydrophobicContact CD1-CE 3.78Å; I88-M172 HydrophobicContact CD1-SD 4.26Å; I88-M172 HydrophobicContact CG1-CB 4.08Å; I88-M172 HydrophobicContact CG1-CE 3.68Å
89G92.7Very high92.5Very high11 Ų1135.1 Ų35.111%0.11317%0.172CC..Hα-helixtrans-59.2-50.817800000113I65 E85 A87 L91 K92 A93I65-G89 WeakPolarHBondContact O-CA 3.37Å; E85-G89 PolarHBondContact O-N 2.91Å; A87-G89 VanDerWaalsContact C-N 3.32Å; A87-G89 PolarHBondContact O-N 3.13Å; G89-L91 VanDerWaalsContact C-N 3.34Å; G89-L91 PolarHBondContact O-N 3.25Å; G89-K92 PolarHBondContact O-N 3.37Å; G89-A93 WeakPolarHBondContact O-CB 3.37Å; G89-A93 PolarHBondContact O-N 3.02Å
90A94.5Very high92.5Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-62.5-41176.800000112T25 A27 F53 I65 M86 A87 K92 A93 A94T25-A90 HydrophobicContact CG2-CB 4.05Å; A27-A90 HydrophobicContact CB-CB 3.96Å; F53-A90 HydrophobicContact CD2-CB 3.63Å; F53-A90 HydrophobicContact CE2-CB 3.81Å; I65-A90 HydrophobicContact CG2-CB 4.2Å; M86-A90 VanDerWaalsContact O-CB 3.28Å; M86-A90 WeakPolarHBondContact O-CB 3.37Å; M86-A90 PolarHBondContact O-N 3.13Å; A87-A90 PolarHBondContact O-N 2.8Å; A90-K92 PolarHBondContact O-N 3.13Å; A90-A93 PolarHBondContact O-N 2.96Å; A90-A94 WeakPolarHBondContact O-CB 3.22Å; A90-A94 PolarHBondContact O-N 2.81Å
91L91.3Very high92.5Very high24 Ų2432.4 Ų32.413%0.12616%0.159CC..Hα-helixtrans-61-45.5177.3-163.3140.1000111.6A87 I88 G89 R95 A96 A99 A125 T126 A127A87-L91 VanDerWaalsContact O-CB 3.32Å; A87-L91 WeakPolarHBondContact O-CB 3.24Å; A87-L91 PolarHBondContact O-N 2.75Å; I88-L91 PolarHBondContact O-N 3Å; G89-L91 VanDerWaalsContact C-N 3.34Å; G89-L91 PolarHBondContact O-N 3.25Å; L91-R95 WeakPolarHBondContact O-CA 3.39Å; L91-R95 PolarHBondContact O-N 2.98Å; L91-A96 WeakPolarHBondContact CG-O 3.48Å; L91-A99 HydrophobicContact CB-CB 3.87Å; L91-A99 HydrophobicContact CD1-CB 4.05Å; L91-A99 HydrophobicContact CG-CB 4.43Å; L91-A125 HydrophobicContact CD1-CB 4.49Å; L91-T126 VanDerWaalsContact CD1-C 3.42Å; L91-A127 HydrophobicContact CD1-CB 4.5Å; L91-A127 HydrophobicContact CD2-CB 3.98Å
92K88.3Confident92.7Very high128 Ų12830.5 Ų30.556%0.55715%0.147SC*.Hα-helixtrans-64.3-44.9175.8-73.2174-178172.90112.5I88 G89 A90I88-K92 HydrophobicContact CG2-CD 4.17Å; I88-K92 WeakPolarHBondContact O-CG 3.34Å; I88-K92 PolarHBondContact O-N 2.73Å; G89-K92 PolarHBondContact O-N 3.37Å; A90-K92 PolarHBondContact O-N 3.13Å
93A91.6Very high92.8Very high44 Ų4430.5 Ų30.536%0.36415%0.147SC..Hα-helixtrans-70-33.2-176.900000112.6F53 G89 A90F53-A93 HydrophobicContact CE1-CB 4.07Å; F53-A93 HydrophobicContact CE2-CB 4.21Å; F53-A93 HydrophobicContact CZ-CB 3.48Å; F53-A93 VanDerWaalsContact CZ-CB 3.48Å; G89-A93 WeakPolarHBondContact O-CB 3.37Å; G89-A93 PolarHBondContact O-N 3.02Å; A90-A93 PolarHBondContact O-N 2.96Å
94A92.4Very high92.8Very high6 Ų631.1 Ų31.15%0.0515%0.153CC..Hα-helixtrans-90.6-22.7179.300000113.9T25 E50 R51 F53 A90 A96T25-A94 HydrophobicContact CG2-CB 3.85Å; T25-A94 WeakPolarHBondContact OG1-CB 3.35Å; E50-A94 HydrophobicContact CG-CB 4.09Å; R51-A94 HydrophobicContact CG-CB 3.72Å; F53-A94 HydrophobicContact CE2-CB 4.23Å; A90-A94 WeakPolarHBondContact O-CB 3.22Å; A90-A94 PolarHBondContact O-N 2.81Å; A94-A96 HydrophobicContact CB-CB 4.18Å; A94-A96 PolarHBondContact O-N 2.94Å
95R89.1Confident92.8Very high230 Ų23031 Ų3187%0.86815%0.152SC*.THydrogen-bonded Turntrans5637-167.6-52.7179.8179.5-173.2-0.6112.5L91L91-R95 WeakPolarHBondContact O-CA 3.39Å; L91-R95 PolarHBondContact O-N 2.98Å
96A89.1Confident92.6Very high3 Ų330.2 Ų30.23%0.02515%0.149CC..  trans-88.1162.5178.200000111.8T23 T25 L91 A94T23-A96 VanDerWaalsContact OG1-CA 3.32Å; T23-A96 WeakPolarHBondContact OG1-CA 3.28Å; T25-A96 HydrophobicContact CG2-CB 3.9Å; L91-A96 WeakPolarHBondContact CG-O 3.48Å; A94-A96 HydrophobicContact CB-CB 4.18Å; A94-A96 PolarHBondContact O-N 2.94Å
97D89.9Confident91.9Very high69 Ų6930.6 Ų30.637%0.36915%0.152SC..SBendtrans-74.5-34.3176.4-58.5-76.9000112.2A22 T23 T126 A127A22-D97 WeakPolarHBondContact CA-OD2 3.4Å; A22-D97 HydrophobicContact CB-CB 4.07Å; T23-D97 PolarHBondContact N-OD2 2.83Å; T23-D97 WeakPolarHBondContact O-CB 3.33Å; T23-D97 PolarHBondContact O-N 3.2Å; T23-D97 VanDerWaalsContact O-N 3.1Å; T23-D97 PolarHBondContact OG1-N 2.98Å; T23-D97 PolarHBondContact OG1-OD2 2.69Å; D97-T126 CarbonylContact O-C 3.51Å; D97-T126 WeakPolarHBondContact O-CA 3.49Å; D97-A127 PolarHBondContact O-N 3.3Å
98Y91.9Very high91.2Very high38 Ų3835.7 Ų35.715%0.14919%0.186CC..EExtended strand (participates in β ladder)trans-130.2148.8-177.6-58.2-72.7000111.8L17 A22 T23 V24 T25 F124 A125 T126L17-Y98 HydrophobicContact CD2-CD2 3.68Å; L17-Y98 HydrophobicContact CD2-CE2 4.01Å; A22-Y98 HydrophobicContact CB-CD2 4.06Å; A22-Y98 HydrophobicContact CB-CE2 3.55Å; T23-Y98 PolarHBondContact O-N 3.07Å; V24-Y98 CarbonylContact C-O 3.55Å; V24-Y98 WeakPolarHBondContact CA-O 3.42Å; T25-Y98 WeakPolarHBondContact CG2-O 3.38Å; T25-Y98 PolarHBondContact N-O 3.44Å; Y98-F124 AromaticContact CD1-CE1 3.89Å; Y98-F124 HydrophobicContact CD1-CE1 3.89Å; Y98-F124 AromaticContact CD1-CE2 3.96Å; Y98-F124 HydrophobicContact CD1-CE2 3.96Å; Y98-F124 AromaticContact CD1-CZ 3.21Å; Y98-F124 HydrophobicContact CD1-CZ 3.21Å; Y98-F124 HydrophobicContact CE1-CE1 4.29Å; Y98-F124 AromaticContact CE1-CZ 3.77Å; Y98-F124 HydrophobicContact CE1-CZ 3.77Å; Y98-F124 HydrophobicContact CG-CE2 4.24Å; Y98-F124 AromaticContact CG-CZ 3.92Å; Y98-F124 HydrophobicContact CG-CZ 3.92Å; Y98-A125 CarbonylContact C-O 3.45Å; Y98-A125 WeakPolarHBondContact CA-O 3.34Å; Y98-T126 HydrophobicContact CD1-CG2 3.92Å; Y98-T126 HydrophobicContact CE1-CG2 3.87Å
99A93.2Very high90.6Very high0 Ų040.4 Ų40.40%021%0.211CC..EExtended strand (participates in β ladder)trans-134.8135.9170.900000111.2T25 A87 L91 F124 A125T25-A99 HydrophobicContact CG2-CB 3.66Å; T25-A99 WeakPolarHBondContact O-CA 3.17Å; A87-A99 HydrophobicContact CB-CB 4.33Å; A87-A99 VanDerWaalsContact O-CB 3.27Å; A87-A99 WeakPolarHBondContact O-CB 3.45Å; L91-A99 HydrophobicContact CB-CB 3.87Å; L91-A99 HydrophobicContact CD1-CB 4.05Å; L91-A99 HydrophobicContact CG-CB 4.43Å; A99-F124 CarbonylContact O-C 3.48Å; A99-F124 WeakPolarHBondContact O-CA 3.32Å; A99-A125 PolarHBondContact N-O 2.77Å; A99-A125 PolarHBondContact O-N 3.34Å
100V93.9Very high89.8Confident9 Ų943.1 Ų43.16%0.05524%0.239CC..EExtended strand (participates in β ladder)trans-111.9137.4168.6-72.20000110T25 T26 A27 V35 I39 A123 F124 I153T25-V100 PolarHBondContact O-N 2.97Å; T26-V100 CarbonylContact C-O 3.45Å; T26-V100 WeakPolarHBondContact CA-O 3.34Å; T26-V100 HydrophobicContact CG2-CG2 3.52Å; A27-V100 PolarHBondContact N-O 3.21Å; V35-V100 HydrophobicContact CG1-CG2 4.08Å; I39-V100 HydrophobicContact CD1-CG2 4.41Å; V100-A123 CarbonylContact C-O 3.42Å; V100-A123 WeakPolarHBondContact CA-O 3.48Å; V100-F124 HydrophobicContact CG1-CD2 3.73Å; V100-F124 HydrophobicContact CG1-CE2 4.47Å; V100-I153 HydrophobicContact CB-CD1 3.87Å; V100-I153 HydrophobicContact CB-CG1 3.64Å; V100-I153 HydrophobicContact CG1-CD1 3.99Å; V100-I153 HydrophobicContact CG1-CG1 3.94Å; V100-I153 HydrophobicContact CG2-CG1 4.32Å
101S95.3Very high89Confident0 Ų045 Ų450%026%0.258CS..EExtended strand (participates in β ladder)trans-132.6150.8176.172.70000112.1A27 V83 F122 A123A27-S101 CarbonylContact O-C 3.53Å; A27-S101 WeakPolarHBondContact O-CA 3.45Å; V83-S101 VanDerWaalsContact C-OG 3.31Å; V83-S101 WeakPolarHBondContact CB-OG 3.36Å; V83-S101 WeakPolarHBondContact O-CB 3.39Å; V83-S101 PolarHBondContact O-OG 3.1Å; S101-F122 WeakPolarHBondContact O-CA 3.41Å; S101-A123 PolarHBondContact N-O 3.38Å; S101-A123 PolarHBondContact O-N 2.96Å; S101-A123 WeakPolarHBondContact OG-CB 3.08Å
102I96.4Very high88.6Confident1 Ų146.7 Ų46.71%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-147.9130.7-175.6-174.9178.7000112.1A27 E28 S29 T31 V35 V120 W121 F122 A149 I153A27-I102 PolarHBondContact O-N 3.5Å; E28-I102 HydrophobicContact CB-CG2 4.16Å; E28-I102 HydrophobicContact CG-CG2 3.97Å; S29-I102 WeakPolarHBondContact CB-O 3.3Å; S29-I102 PolarHBondContact N-O 2.86Å; T31-I102 HydrophobicContact CG2-CD1 3.52Å; T31-I102 WeakPolarHBondContact OG1-CG2 3.49Å; V35-I102 HydrophobicContact CG2-CG2 4.27Å; I102-V120 HydrophobicContact CD1-CG1 3.88Å; I102-V120 HydrophobicContact CG1-CG1 3.57Å; I102-W121 WeakPolarHBondContact CA-O 3.47Å; I102-F122 HydrophobicContact CB-CD1 4.29Å; I102-F122 HydrophobicContact CD1-CD1 4Å; I102-F122 HydrophobicContact CD1-CE1 3.51Å; I102-F122 HydrophobicContact CD1-CZ 4.47Å; I102-F122 HydrophobicContact CG1-CD1 3.87Å; I102-F122 HydrophobicContact CG1-CE1 3.81Å; I102-A149 HydrophobicContact CD1-CB 3.8Å; I102-I153 HydrophobicContact CD1-CG2 4.49Å
103S95.9Very high88.2Confident0 Ų050.2 Ų50.20%029%0.291CS..EExtended strand (participates in β ladder)trans-144.7135173.1-168.10000111.5A77 W121A77-S103 WeakPolarHBondContact O-CB 3.31Å; A77-S103 PolarHBondContact O-OG 2.83Å; S103-W121 PolarHBondContact N-O 2.94Å; S103-W121 PolarHBondContact O-N 3.37Å
104G95Very high87.8Confident12 Ų1255.8 Ų55.812%0.12431%0.309CS..EExtended strand (participates in β ladder)trans-168.1176.1-173.100000114.6C30 T119C30-G104 WeakPolarHBondContact CB-O 3.31Å; G104-T119 CarbonylContact C-O 3.53Å; G104-T119 WeakPolarHBondContact CA-O 3.37Å
105I94Very high87.6Confident20 Ų2058 Ų5810%0.10332%0.318CS..  trans-110.696.5-179.3-56.3162.7000107.9V78 G107 G110 K115 V117 G118 T119V78-I105 HydrophobicContact CB-CG1 4.41Å; V78-I105 HydrophobicContact CG1-CD1 4.48Å; V78-I105 HydrophobicContact CG1-CG1 4.31Å; V78-I105 HydrophobicContact CG2-CG1 3.97Å; I105-G107 VanDerWaalsContact C-N 3.32Å; I105-G110 WeakPolarHBondContact CD1-O 3.26Å; I105-K115 HydrophobicContact CD1-CB 3.88Å; I105-K115 VanDerWaalsContact CD1-O 3.3Å; I105-K115 WeakPolarHBondContact CD1-O 3.43Å; I105-V117 HydrophobicContact CG2-CG2 4.12Å; I105-G118 WeakPolarHBondContact O-CA 3.34Å; I105-G118 PolarHBondContact O-N 3.02Å; I105-T119 PolarHBondContact N-O 3.04Å
106A90Very high87.7Confident6 Ų649.5 Ų49.55%0.0529%0.293CS..  trans-83.5-4.5179.800000113.9R142 V145 R146A106-R142 HydrophobicContact CB-CG 3.83Å; A106-R142 WeakPolarHBondContact O-CA 3.46Å; A106-R142 WeakPolarHBondContact O-CB 3.32Å; A106-V145 HydrophobicContact CB-CB 4.34Å; A106-V145 HydrophobicContact CB-CG1 4.08Å; A106-R146 HydrophobicContact CB-CG 4.18Å
107G81.6Confident87.8Confident7 Ų752 Ų527%0.07231%0.307CS..SBendtrans84.2-177175.300000115.8I105 D109 V117 R142I105-G107 VanDerWaalsContact C-N 3.32Å; G107-D109 VanDerWaalsContact C-N 3.3Å; G107-V117 VanDerWaalsContact CA-CG1 3.47Å; G107-R142 PolarHBondContact O-NH1 3.32Å
108P78.2Confident88Confident108 Ų10848.7 Ų48.770%0.70129%0.29SS*.SBendcis-75.1-17.6-3.932.3-34.8000113.2V117P108-V117 WeakPolarHBondContact O-CG2 3.5Å
109D78.5Confident88.2Confident132 Ų13246.9 Ų46.971%0.70628%0.283SS*.SBendtrans-100.8170.9-177.3-52.8-56.1000112.3G107G107-D109 VanDerWaalsContact C-N 3.3Å
110G76.5Confident88.3Confident68 Ų6846.9 Ų46.970%0.70128%0.283SS*.SBendtrans891.6173.600000115.3I105I105-G110 WeakPolarHBondContact CD1-O 3.26Å
111G77.7Confident88.4Confident39 Ų3948.3 Ų48.340%0.40229%0.287SS..  trans-75.2152.7169.300000112.7K115G111-K115 VanDerWaalsContact CA-O 3.31Å; G111-K115 WeakPolarHBondContact CA-O 3.36Å
112S83.2Confident88.3Confident60 Ų6048.6 Ų48.642%0.4229%0.288SS..  trans-125.3172165.168.60000109.9E114 K115 P116S112-E114 PolarHBondContact O-N 2.8Å; S112-E114 PolarHBondContact OG-N 3.31Å; S112-K115 PolarHBondContact N-O 2.87Å; S112-K115 CarbonylContact O-C 3.54Å; S112-K115 PolarHBondContact O-N 2.94Å; S112-K115 PolarHBondContact OG-N 3.21Å; S112-K115 VanDerWaalsContact OG-N 3.11Å; S112-P116 WeakPolarHBondContact O-CA 3.41Å; S112-P116 VanDerWaalsContact O-N 3.07Å
113E79.1Confident88.1Confident203 Ų20348.6 Ų48.695%0.94929%0.288SS*.SBendtrans-57.2-37.4172.8-72-171.9163.900112
114E82.3Confident87.9Confident160 Ų16048.9 Ų48.975%0.74829%0.29SS*.SBendtrans-75.9-29.9179.2-61.3-178.6170.800113.2S112 R135S112-E114 PolarHBondContact O-N 2.8Å; S112-E114 PolarHBondContact OG-N 3.31Å; E114-R135 PolarHBondContact O-NH2 3.35Å; E114-R135 VanDerWaalsContact O-NH2 3.13Å
115K88.2Confident87.6Confident53 Ų5348.4 Ų48.423%0.2329%0.285CS..SBendtrans-134.975-176.8-60.3-179-170.4178.80109.1H75 V78 I105 G111 S112H75-K115 PolarHBondContact O-NZ 2.85Å; V78-K115 WeakPolarHBondContact O-CE 2.9Å; V78-K115 PolarHBondContact O-NZ 2.77Å; I105-K115 HydrophobicContact CD1-CB 3.88Å; I105-K115 VanDerWaalsContact CD1-O 3.3Å; I105-K115 WeakPolarHBondContact CD1-O 3.43Å; G111-K115 VanDerWaalsContact CA-O 3.31Å; G111-K115 WeakPolarHBondContact CA-O 3.36Å; S112-K115 PolarHBondContact N-O 2.87Å; S112-K115 CarbonylContact O-C 3.54Å; S112-K115 PolarHBondContact O-N 2.94Å; S112-K115 PolarHBondContact OG-N 3.21Å; S112-K115 VanDerWaalsContact OG-N 3.11Å
116P91.7Very high87.3Confident52 Ų5248 Ų4834%0.33828%0.283SS..  trans-62.9159.8-17926.4-35.6000111.1S112 G118 T119S112-P116 WeakPolarHBondContact O-CA 3.41Å; S112-P116 VanDerWaalsContact O-N 3.07Å; P116-G118 PolarHBondContact O-N 3.13Å; P116-T119 WeakPolarHBondContact CD-OG1 3.3Å; P116-T119 VanDerWaalsContact O-CB 3.28Å; P116-T119 WeakPolarHBondContact O-CB 3.22Å; P116-T119 PolarHBondContact O-N 3.18Å; P116-T119 PolarHBondContact O-OG1 3.03Å
117V92.3Very high86.9Confident55 Ų5550.6 Ų50.633%0.33330%0.304SS..THydrogen-bonded Turntrans-51.4133.2167.91750000109.2I105 G107 P108I105-V117 HydrophobicContact CG2-CG2 4.12Å; G107-V117 VanDerWaalsContact CA-CG1 3.47Å; P108-V117 WeakPolarHBondContact O-CG2 3.5Å
118G93.3Very high86.6Confident0 Ų060.8 Ų60.80%034%0.341CS..THydrogen-bonded Turntrans101.2-14.1-170.400000114.1I105 P116 V120 C137 F138I105-G118 WeakPolarHBondContact O-CA 3.34Å; I105-G118 PolarHBondContact O-N 3.02Å; P116-G118 PolarHBondContact O-N 3.13Å; G118-V120 PolarHBondContact O-N 2.92Å; G118-C137 WeakPolarHBondContact O-CA 3.42Å; G118-F138 WeakPolarHBondContact CA-O 3.42Å; G118-F138 PolarHBondContact O-N 2.86Å
119T95.6Very high86.3Confident0 Ų056.6 Ų56.60%032%0.317CS..EExtended strand (participates in β ladder)trans-67121.6177.5-60.50000110.9V78 G104 I105 P116 R135 E136V78-T119 HydrophobicContact CG1-CG2 4.17Å; G104-T119 CarbonylContact C-O 3.53Å; G104-T119 WeakPolarHBondContact CA-O 3.37Å; I105-T119 PolarHBondContact N-O 3.04Å; P116-T119 WeakPolarHBondContact CD-OG1 3.3Å; P116-T119 VanDerWaalsContact O-CB 3.28Å; P116-T119 WeakPolarHBondContact O-CB 3.22Å; P116-T119 PolarHBondContact O-N 3.18Å; P116-T119 PolarHBondContact O-OG1 3.03Å; T119-R135 HydrophobicContact CG2-CG 4.47Å; T119-E136 CarbonylContact C-O 3.48Å; T119-E136 WeakPolarHBondContact CA-O 3.46Å
120V95.3Very high86.3Confident0 Ų054.5 Ų54.50%030%0.303CS..EExtended strand (participates in β ladder)trans-132.8136176.2-174.70000110I102 G118 F122 R135 E136 F138 V145 A149I102-V120 HydrophobicContact CD1-CG1 3.88Å; I102-V120 HydrophobicContact CG1-CG1 3.57Å; G118-V120 PolarHBondContact O-N 2.92Å; V120-F122 HydrophobicContact CB-CE2 4.09Å; V120-F122 HydrophobicContact CB-CZ 3.95Å; V120-F122 HydrophobicContact CG1-CD1 4.24Å; V120-F122 HydrophobicContact CG1-CD2 4.46Å; V120-F122 HydrophobicContact CG1-CE1 3.66Å; V120-F122 HydrophobicContact CG1-CE2 3.86Å; V120-F122 HydrophobicContact CG1-CZ 3.44Å; V120-F122 VanDerWaalsContact CG1-CZ 3.44Å; V120-R135 CarbonylContact O-C 3.54Å; V120-R135 WeakPolarHBondContact O-CA 3.33Å; V120-E136 PolarHBondContact N-O 3.23Å; V120-E136 PolarHBondContact O-N 3.39Å; V120-F138 HydrophobicContact CB-CD2 4.26Å; V120-F138 HydrophobicContact CB-CE2 3.88Å; V120-F138 HydrophobicContact CG2-CD2 3.7Å; V120-F138 HydrophobicContact CG2-CE2 3.74Å; V120-V145 HydrophobicContact CG2-CG1 4.14Å; V120-A149 HydrophobicContact CG1-CB 4.18Å; V120-A149 HydrophobicContact CG2-CB 4.2Å
121W95.6Very high86.6Confident39 Ų3951.5 Ų51.515%0.14827%0.272CS..EExtended strand (participates in β ladder)trans-107145170.3-79.495.3000110.5E80 V83 I102 S103 R134 R135E80-W121 HydrophobicContact CB-CD2 4.22Å; E80-W121 HydrophobicContact CB-CE3 3.75Å; E80-W121 HydrophobicContact CB-CH2 3.72Å; E80-W121 HydrophobicContact CB-CZ2 4.18Å; E80-W121 HydrophobicContact CB-CZ3 3.5Å; E80-W121 VanDerWaalsContact CB-CZ3 3.5Å; E80-W121 HydrophobicContact CG-CE3 4.13Å; E80-W121 HydrophobicContact CG-CH2 4.29Å; E80-W121 HydrophobicContact CG-CZ3 3.73Å; V83-W121 HydrophobicContact CB-CB 4.45Å; V83-W121 HydrophobicContact CG1-CB 3.71Å; V83-W121 HydrophobicContact CG2-CB 3.88Å; I102-W121 WeakPolarHBondContact CA-O 3.47Å; S103-W121 PolarHBondContact N-O 2.94Å; S103-W121 PolarHBondContact O-N 3.37Å; W121-R134 WeakPolarHBondContact CA-O 3.33Å; W121-R135 HydrophobicContact CD2-CB 3.88Å; W121-R135 HydrophobicContact CD2-CG 4.15Å; W121-R135 HydrophobicContact CE3-CB 3.84Å; W121-R135 HydrophobicContact CH2-CB 3.78Å; W121-R135 HydrophobicContact CH2-CG 4.43Å; W121-R135 HydrophobicContact CZ2-CB 3.81Å; W121-R135 HydrophobicContact CZ2-CG 3.95Å; W121-R135 HydrophobicContact CZ3-CB 3.78Å
122F94.5Very high87Confident5 Ų550.6 Ų50.62%0.02226%0.258CS..EExtended strand (participates in β ladder)trans-129.6142.8-179.2-55.4-79.3000109.3S101 I102 V120 T133 R134 E136 F138 A149 I152 I153S101-F122 WeakPolarHBondContact O-CA 3.41Å; I102-F122 HydrophobicContact CB-CD1 4.29Å; I102-F122 HydrophobicContact CD1-CD1 4Å; I102-F122 HydrophobicContact CD1-CE1 3.51Å; I102-F122 HydrophobicContact CD1-CZ 4.47Å; I102-F122 HydrophobicContact CG1-CD1 3.87Å; I102-F122 HydrophobicContact CG1-CE1 3.81Å; V120-F122 HydrophobicContact CB-CE2 4.09Å; V120-F122 HydrophobicContact CB-CZ 3.95Å; V120-F122 HydrophobicContact CG1-CD1 4.24Å; V120-F122 HydrophobicContact CG1-CD2 4.46Å; V120-F122 HydrophobicContact CG1-CE1 3.66Å; V120-F122 HydrophobicContact CG1-CE2 3.86Å; V120-F122 HydrophobicContact CG1-CZ 3.44Å; V120-F122 VanDerWaalsContact CG1-CZ 3.44Å; F122-T133 VanDerWaalsContact O-CA 3.26Å; F122-T133 WeakPolarHBondContact O-CA 3.25Å; F122-R134 HydrophobicContact CB-CB 4.3Å; F122-R134 HydrophobicContact CD2-CB 4.18Å; F122-R134 HydrophobicContact CD2-CG 4.4Å; F122-R134 WeakPolarHBondContact CD2-O 3.29Å; F122-R134 PolarHBondContact N-O 3Å; F122-R134 PolarHBondContact O-N 3.37Å; F122-E136 HydrophobicContact CE2-CB 4.02Å; F122-E136 HydrophobicContact CE2-CG 3.98Å; F122-F138 HydrophobicContact CE2-CE2 4.32Å; F122-F138 HydrophobicContact CE2-CZ 4.35Å; F122-F138 AromaticContact CZ-CE2 3.89Å; F122-F138 HydrophobicContact CZ-CE2 3.89Å; F122-F138 AromaticContact CZ-CZ 3.97Å; F122-F138 HydrophobicContact CZ-CZ 3.97Å; F122-A149 HydrophobicContact CE1-CB 4.08Å; F122-A149 WeakPolarHBondContact CE1-O 3.48Å; F122-A149 HydrophobicContact CZ-CB 3.95Å; F122-I152 HydrophobicContact CD2-CG2 4.42Å; F122-I152 HydrophobicContact CE1-CG2 4.49Å; F122-I152 HydrophobicContact CE2-CG2 4.16Å; F122-I152 HydrophobicContact CZ-CB 4.24Å; F122-I152 HydrophobicContact CZ-CG2 4.18Å; F122-I153 HydrophobicContact CB-CD1 3.88Å; F122-I153 HydrophobicContact CD1-CB 3.76Å; F122-I153 HydrophobicContact CD1-CD1 3.91Å; F122-I153 HydrophobicContact CD1-CG1 4.22Å; F122-I153 HydrophobicContact CE1-CB 4.07Å; F122-I153 HydrophobicContact CG-CD1 4.32Å
123A92.3Very high87.3Confident1 Ų147.8 Ų47.81%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-134.3144.4161.800000111V83 V84 A87 V100 S101 I132 T133V83-A123 HydrophobicContact CB-CB 4.08Å; V83-A123 HydrophobicContact CG2-CB 3.95Å; V84-A123 HydrophobicContact CG2-CB 4.47Å; A87-A123 HydrophobicContact CB-CB 4.2Å; V100-A123 CarbonylContact C-O 3.42Å; V100-A123 WeakPolarHBondContact CA-O 3.48Å; S101-A123 PolarHBondContact N-O 3.38Å; S101-A123 PolarHBondContact O-N 2.96Å; S101-A123 WeakPolarHBondContact OG-CB 3.08Å; A123-I132 CarbonylContact C-O 3.6Å; A123-I132 WeakPolarHBondContact CA-O 3.29Å; A123-T133 HydrophobicContact CB-CG2 4.07Å
124F91Very high87.9Confident7 Ų740.7 Ų40.73%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-119133.7167.3175-91.7000108.1Y98 A99 V100 T126 G131 I132 H158 Y161Y98-F124 AromaticContact CD1-CE1 3.89Å; Y98-F124 HydrophobicContact CD1-CE1 3.89Å; Y98-F124 AromaticContact CD1-CE2 3.96Å; Y98-F124 HydrophobicContact CD1-CE2 3.96Å; Y98-F124 AromaticContact CD1-CZ 3.21Å; Y98-F124 HydrophobicContact CD1-CZ 3.21Å; Y98-F124 HydrophobicContact CE1-CE1 4.29Å; Y98-F124 AromaticContact CE1-CZ 3.77Å; Y98-F124 HydrophobicContact CE1-CZ 3.77Å; Y98-F124 HydrophobicContact CG-CE2 4.24Å; Y98-F124 AromaticContact CG-CZ 3.92Å; Y98-F124 HydrophobicContact CG-CZ 3.92Å; A99-F124 CarbonylContact O-C 3.48Å; A99-F124 WeakPolarHBondContact O-CA 3.32Å; V100-F124 HydrophobicContact CG1-CD2 3.73Å; V100-F124 HydrophobicContact CG1-CE2 4.47Å; F124-T126 HydrophobicContact CE1-CG2 3.92Å; F124-G131 CarbonylContact O-C 3.56Å; F124-G131 WeakPolarHBondContact O-CA 3.45Å; F124-I132 HydrophobicContact CB-CD1 4.37Å; F124-I132 HydrophobicContact CB-CG1 3.8Å; F124-I132 HydrophobicContact CD1-CD1 4.37Å; F124-I132 HydrophobicContact CD1-CG1 4.24Å; F124-I132 HydrophobicContact CG-CG1 4.45Å; F124-I132 PolarHBondContact N-O 3.39Å; F124-I132 PolarHBondContact O-N 3.37Å; F124-H158 HydrophobicContact CB-CB 4.25Å; F124-H158 HydrophobicContact CD1-CB 4.24Å; F124-H158 HydrophobicContact CD2-CB 3.81Å; F124-H158 WeakPolarHBondContact CE1-O 3.32Å; F124-H158 HydrophobicContact CE2-CB 4.13Å; F124-H158 HydrophobicContact CG-CB 3.85Å; F124-H158 HydrophobicContact CZ-CB 4.46Å; F124-H158 VanDerWaalsContact CZ-O 3.24Å; F124-H158 WeakPolarHBondContact CZ-O 3.41Å; F124-Y161 HydrophobicContact CE1-CE2 4.5Å
125A89Confident88.4Confident2 Ų238.5 Ų38.52%0.01719%0.187CC..EExtended strand (participates in β ladder)trans-133.7148.6-17800000111.1A87 L91 Y98 A99 E130 M172A87-A125 HydrophobicContact CB-CB 3.82Å; L91-A125 HydrophobicContact CD1-CB 4.49Å; Y98-A125 CarbonylContact C-O 3.45Å; Y98-A125 WeakPolarHBondContact CA-O 3.34Å; A99-A125 PolarHBondContact N-O 2.77Å; A99-A125 PolarHBondContact O-N 3.34Å; A125-E130 CarbonylContact C-O 3.56Å; A125-E130 WeakPolarHBondContact CA-O 3.36Å; A125-M172 HydrophobicContact CB-CE 4.07Å
126T87.7Confident88.6Confident12 Ų1238.7 Ų38.77%0.07419%0.189CC..EExtended strand (participates in β ladder)trans-111.4156.217475.90000111.1L91 D97 Y98 F124 R128 G129 E130 Y161L91-T126 VanDerWaalsContact CD1-C 3.42Å; D97-T126 CarbonylContact O-C 3.51Å; D97-T126 WeakPolarHBondContact O-CA 3.49Å; Y98-T126 HydrophobicContact CD1-CG2 3.92Å; Y98-T126 HydrophobicContact CE1-CG2 3.87Å; F124-T126 HydrophobicContact CE1-CG2 3.92Å; T126-R128 PolarHBondContact O-N 2.89Å; T126-R128 PolarHBondContact OG1-N 2.99Å; T126-G129 PolarHBondContact O-N 2.87Å; T126-E130 PolarHBondContact N-O 2.86Å; T126-E130 PolarHBondContact OG1-O 3.13Å; T126-Y161 HydrophobicContact CG2-CE2 3.75Å
127A81.3Confident88.7Confident59 Ų5939.7 Ų39.749%0.48820%0.197SC..THydrogen-bonded Turntrans-61.3-12.6174.100000113.4L91 D97 G129L91-A127 HydrophobicContact CD1-CB 4.5Å; L91-A127 HydrophobicContact CD2-CB 3.98Å; D97-A127 PolarHBondContact O-N 3.3Å; A127-G129 VanDerWaalsContact C-N 3.3Å
128R75.6Confident88.7Confident222 Ų22238.3 Ų38.384%0.83819%0.186SC*.THydrogen-bonded Turntrans-84.90.2177.2-58.9-178.6-176.8-179.60.8113.4T126T126-R128 PolarHBondContact O-N 2.89Å; T126-R128 PolarHBondContact OG1-N 2.99Å
129G72.6Confident88.5Confident20 Ų2042.9 Ų42.921%0.20622%0.218CC..SBendtrans82.322.817800000113.6T126 A127 M172T126-G129 PolarHBondContact O-N 2.87Å; A127-G129 VanDerWaalsContact C-N 3.3Å; G129-M172 PolarHBondContact O-N 3.06Å
130E78.6Confident88.1Confident88 Ų8845.6 Ų45.641%0.41125%0.246SC..EExtended strand (participates in β ladder)trans-114.4152.1177.9-58.7173.5166.700109.4A125 T126 Y161A125-E130 CarbonylContact C-O 3.56Å; A125-E130 WeakPolarHBondContact CA-O 3.36Å; T126-E130 PolarHBondContact N-O 2.86Å; T126-E130 PolarHBondContact OG1-O 3.13Å; E130-Y161 WeakPolarHBondContact CB-OH 3.43Å; E130-Y161 VanDerWaalsContact OE2-CE1 3.25Å; E130-Y161 WeakPolarHBondContact OE2-CE1 3.34Å; E130-Y161 PolarHBondContact OE2-OH 3.22Å
131G80.8Confident87.9Confident5 Ų550.7 Ų50.75%0.05227%0.273CS..EExtended strand (participates in β ladder)trans-168.2172.4179.900000114F124 V170F124-G131 CarbonylContact O-C 3.56Å; F124-G131 WeakPolarHBondContact O-CA 3.45Å; G131-V170 PolarHBondContact N-O 3.18Å; G131-V170 VanDerWaalsContact N-O 3.07Å; G131-V170 PolarHBondContact O-N 3.27Å
132I87.3Confident87.7Confident20 Ų2053.5 Ų53.510%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-136.8145.4179.255.9-171.6000109.6A123 F124 H158 M167 T168A123-I132 CarbonylContact C-O 3.6Å; A123-I132 WeakPolarHBondContact CA-O 3.29Å; F124-I132 HydrophobicContact CB-CD1 4.37Å; F124-I132 HydrophobicContact CB-CG1 3.8Å; F124-I132 HydrophobicContact CD1-CD1 4.37Å; F124-I132 HydrophobicContact CD1-CG1 4.24Å; F124-I132 HydrophobicContact CG-CG1 4.45Å; F124-I132 PolarHBondContact N-O 3.39Å; F124-I132 PolarHBondContact O-N 3.37Å; I132-H158 HydrophobicContact CD1-CB 4.1Å; I132-M167 HydrophobicContact CB-CB 4.49Å; I132-M167 HydrophobicContact CB-CE 3.88Å; I132-M167 HydrophobicContact CD1-CE 3.29Å; I132-M167 HydrophobicContact CD1-SD 3.67Å; I132-M167 HydrophobicContact CG1-CE 3.46Å; I132-M167 VanDerWaalsContact CG1-CE 3.46Å; I132-M167 HydrophobicContact CG1-SD 4.38Å; I132-T168 VanDerWaalsContact CA-O 3.29Å; I132-T168 WeakPolarHBondContact CA-O 3.43Å
133T89.9Confident87.5Confident1 Ų156.1 Ų56.11%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-122154.5177.459.60000110.6E80 V84 F122 A123 M167 T168 V170E80-T133 HydrophobicContact CG-CG2 3.85Å; E80-T133 WeakPolarHBondContact OE1-CB 3.49Å; E80-T133 PolarHBondContact OE1-OG1 3.33Å; V84-T133 HydrophobicContact CG2-CG2 3.51Å; F122-T133 VanDerWaalsContact O-CA 3.26Å; F122-T133 WeakPolarHBondContact O-CA 3.25Å; A123-T133 HydrophobicContact CB-CG2 4.07Å; T133-M167 WeakPolarHBondContact O-CA 3.38Å; T133-T168 PolarHBondContact N-O 3.46Å; T133-T168 PolarHBondContact O-N 2.58Å; T133-V170 HydrophobicContact CG2-CG2 3.86Å
134R90.5Very high87.4Confident54 Ų5457.4 Ų57.420%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-146.7145175.7-174.9174.9176.8171.3-0.3110.3W121 F122 E136 M167W121-R134 WeakPolarHBondContact CA-O 3.33Å; F122-R134 HydrophobicContact CB-CB 4.3Å; F122-R134 HydrophobicContact CD2-CB 4.18Å; F122-R134 HydrophobicContact CD2-CG 4.4Å; F122-R134 WeakPolarHBondContact CD2-O 3.29Å; F122-R134 PolarHBondContact N-O 3Å; F122-R134 PolarHBondContact O-N 3.37Å; R134-E136 HydrophobicContact CG-CG 4.39Å; R134-E136 IonicContact CZ-OE1 2.74Å; R134-E136 IonicContact NE-OE1 2.81Å; R134-E136 PolarHBondContact NE-OE1 3.22Å; R134-E136 IonicContact NH2-OE1 2.6Å; R134-E136 PolarHBondContact NH2-OE1 2.86Å; R134-M167 HydrophobicContact CB-CE 4.29Å
135R93.6Very high87.5Confident114 Ų11457.2 Ų57.243%0.4331%0.308SS..EExtended strand (participates in β ladder)trans-117.1135.6169.7-177.4-171.2172.5-176.12.3109E114 T119 V120 W121E114-R135 PolarHBondContact O-NH2 3.35Å; E114-R135 VanDerWaalsContact O-NH2 3.13Å; T119-R135 HydrophobicContact CG2-CG 4.47Å; V120-R135 CarbonylContact O-C 3.54Å; V120-R135 WeakPolarHBondContact O-CA 3.33Å; W121-R135 HydrophobicContact CD2-CB 3.88Å; W121-R135 HydrophobicContact CD2-CG 4.15Å; W121-R135 HydrophobicContact CE3-CB 3.84Å; W121-R135 HydrophobicContact CH2-CB 3.78Å; W121-R135 HydrophobicContact CH2-CG 4.43Å; W121-R135 HydrophobicContact CZ2-CB 3.81Å; W121-R135 HydrophobicContact CZ2-CG 3.95Å; W121-R135 HydrophobicContact CZ3-CB 3.78Å
136E92.7Very high87.6Confident57 Ų5759.3 Ų59.327%0.26632%0.316SS..EExtended strand (participates in β ladder)trans-129.8155.5170.1-69.8-64.9163.100110.9T119 V120 F122 R134 F138 I152T119-E136 CarbonylContact C-O 3.48Å; T119-E136 WeakPolarHBondContact CA-O 3.46Å; V120-E136 PolarHBondContact N-O 3.23Å; V120-E136 PolarHBondContact O-N 3.39Å; F122-E136 HydrophobicContact CE2-CB 4.02Å; F122-E136 HydrophobicContact CE2-CG 3.98Å; R134-E136 HydrophobicContact CG-CG 4.39Å; R134-E136 IonicContact CZ-OE1 2.74Å; R134-E136 IonicContact NE-OE1 2.81Å; R134-E136 PolarHBondContact NE-OE1 3.22Å; R134-E136 IonicContact NH2-OE1 2.6Å; R134-E136 PolarHBondContact NH2-OE1 2.86Å; E136-F138 HydrophobicContact CB-CD2 4.39Å; E136-F138 HydrophobicContact CB-CE1 4.08Å; E136-F138 HydrophobicContact CB-CE2 3.81Å; E136-F138 HydrophobicContact CB-CZ 3.66Å; E136-F138 HydrophobicContact CG-CZ 4.16Å; E136-I152 HydrophobicContact CG-CD1 3.92Å
137C93.2Very high87.7Confident73 Ų7362.3 Ų62.349%0.49333%0.325SS..EExtended strand (participates in β ladder)trans-125100.1171.6-1700000109.1G118G118-C137 WeakPolarHBondContact O-CA 3.42Å
138F92.1Very high88.2Confident26 Ų2662.7 Ų62.711%0.11432%0.317CS..  trans-82.6151.3-176.3-63.3-66.3000112.6G118 V120 F122 E136 V145 Q148 A149 I152G118-F138 WeakPolarHBondContact CA-O 3.42Å; G118-F138 PolarHBondContact O-N 2.86Å; V120-F138 HydrophobicContact CB-CD2 4.26Å; V120-F138 HydrophobicContact CB-CE2 3.88Å; V120-F138 HydrophobicContact CG2-CD2 3.7Å; V120-F138 HydrophobicContact CG2-CE2 3.74Å; F122-F138 HydrophobicContact CE2-CE2 4.32Å; F122-F138 HydrophobicContact CE2-CZ 4.35Å; F122-F138 AromaticContact CZ-CE2 3.89Å; F122-F138 HydrophobicContact CZ-CE2 3.89Å; F122-F138 AromaticContact CZ-CZ 3.97Å; F122-F138 HydrophobicContact CZ-CZ 3.97Å; E136-F138 HydrophobicContact CB-CD2 4.39Å; E136-F138 HydrophobicContact CB-CE1 4.08Å; E136-F138 HydrophobicContact CB-CE2 3.81Å; E136-F138 HydrophobicContact CB-CZ 3.66Å; E136-F138 HydrophobicContact CG-CZ 4.16Å; F138-V145 HydrophobicContact CB-CB 4.38Å; F138-V145 HydrophobicContact CB-CG1 4.2Å; F138-V145 HydrophobicContact CB-CG2 3.98Å; F138-V145 HydrophobicContact CD2-CG1 4.1Å; F138-Q148 VanDerWaalsContact CB-OE1 3.29Å; F138-Q148 HydrophobicContact CD1-CB 3.6Å; F138-Q148 HydrophobicContact CD1-CG 4.37Å; F138-Q148 HydrophobicContact CE1-CB 3.65Å; F138-Q148 HydrophobicContact CG-CB 4.17Å; F138-Q148 HydrophobicContact CZ-CB 4.24Å; F138-A149 HydrophobicContact CD2-CB 4.31Å; F138-A149 HydrophobicContact CE2-CB 3.63Å; F138-A149 HydrophobicContact CZ-CB 4.16Å; F138-I152 HydrophobicContact CE1-CD1 3.72Å; F138-I152 HydrophobicContact CZ-CD1 3.63Å; F138-I152 HydrophobicContact CZ-CG1 4.34Å
139S88.5Confident88.9Confident96 Ų9652.1 Ų52.167%0.67128%0.277SS*.  trans-105.8152.7170.860.80000110.8
140G89Confident89.8Confident57 Ų5751.2 Ų51.259%0.58827%0.268SS*.SBendtrans118.1-171.5179.300000112.7
141D90.6Very high90.1Very high107 Ų10747.3 Ų47.357%0.57225%0.251SS*.  trans-79.1179.6175.767.715.5000111.9D143 A144 V145D141-D143 PolarHBondContact O-N 3.37Å; D141-D143 PolarHBondContact OD1-N 3.21Å; D141-D143 VanDerWaalsContact OD1-N 3.08Å; D141-A144 PolarHBondContact O-N 3.49Å; D141-A144 WeakPolarHBondContact OD1-CB 3.39Å; D141-A144 PolarHBondContact OD1-N 3.37Å; D141-V145 WeakPolarHBondContact O-CG2 3.42Å; D141-V145 PolarHBondContact O-N 3.48Å
142R91.2Very high90.3Very high97 Ų9748.7 Ų48.737%0.36626%0.256SS..Hα-helixtrans-55.7-35.5179.9-175.8-179177.988.43.5113.4Y56 A106 G107 R146Y56-R142 PolarHBondContact OH-NH2 2.92Å; A106-R142 HydrophobicContact CB-CG 3.83Å; A106-R142 WeakPolarHBondContact O-CA 3.46Å; A106-R142 WeakPolarHBondContact O-CB 3.32Å; G107-R142 PolarHBondContact O-NH1 3.32Å; R142-R146 VanDerWaalsContact O-CG 3.28Å; R142-R146 WeakPolarHBondContact O-CG 3.07Å; R142-R146 PolarHBondContact O-N 3Å
143D90.7Very high90.1Very high61 Ų6148 Ų4833%0.32625%0.253SS..Hα-helixtrans-73.7-45.1-179.4-16267.6000110.6W34 D141 V145 R146 R147W34-D143 WeakPolarHBondContact CH2-OD1 3.44Å; D141-D143 PolarHBondContact O-N 3.37Å; D141-D143 PolarHBondContact OD1-N 3.21Å; D141-D143 VanDerWaalsContact OD1-N 3.08Å; D143-V145 PolarHBondContact O-N 2.92Å; D143-R146 PolarHBondContact O-N 3.08Å; D143-R147 WeakPolarHBondContact O-CG 3.2Å; D143-R147 PolarHBondContact O-N 2.83Å; D143-R147 IonicContact OD2-CZ 3.99Å; D143-R147 IonicContact OD2-NE 3.18Å; D143-R147 PolarHBondContact OD2-NE 3.17Å; D143-R147 IonicContact OD2-NH2 3.46Å; D143-R147 PolarHBondContact OD2-NH2 2.8Å
144A90.3Very high89.6Confident28 Ų2848.1 Ų48.123%0.23125%0.254CS..Hα-helixtrans-57.2-47.8176.200000111.8D141 R146 R147 Q148D141-A144 PolarHBondContact O-N 3.49Å; D141-A144 WeakPolarHBondContact OD1-CB 3.39Å; D141-A144 PolarHBondContact OD1-N 3.37Å; A144-R146 VanDerWaalsContact C-N 3.35Å; A144-R146 PolarHBondContact O-N 3.33Å; A144-R147 PolarHBondContact O-N 2.99Å; A144-Q148 WeakPolarHBondContact O-CB 3.42Å; A144-Q148 VanDerWaalsContact O-CG 3.3Å; A144-Q148 WeakPolarHBondContact O-CG 3.46Å; A144-Q148 PolarHBondContact O-N 2.98Å
145V91.8Very high89Confident2 Ų246.4 Ų46.41%0.01225%0.25CS..Hα-helixtrans-59.4-45.2177.5174.90000110.9A106 V120 F138 D141 D143 A149A106-V145 HydrophobicContact CB-CB 4.34Å; A106-V145 HydrophobicContact CB-CG1 4.08Å; V120-V145 HydrophobicContact CG2-CG1 4.14Å; F138-V145 HydrophobicContact CB-CB 4.38Å; F138-V145 HydrophobicContact CB-CG1 4.2Å; F138-V145 HydrophobicContact CB-CG2 3.98Å; F138-V145 HydrophobicContact CD2-CG1 4.1Å; D141-V145 WeakPolarHBondContact O-CG2 3.42Å; D141-V145 PolarHBondContact O-N 3.48Å; D143-V145 PolarHBondContact O-N 2.92Å; V145-A149 WeakPolarHBondContact O-CB 3.35Å; V145-A149 PolarHBondContact O-N 3.4Å
146R92.4Very high87.5Confident47 Ų4742.5 Ų42.518%0.17724%0.239CC..Hα-helixtrans-66.2-40.8179.5-72.9173.870.2-162.15.4112.6C30 T31 W34 A106 R142 D143 A144 T150C30-R146 WeakPolarHBondContact O-CD 3.32Å; C30-R146 WeakPolarHBondContact O-CG 3.46Å; C30-R146 PolarHBondContact O-NE 3.39Å; T31-R146 PolarHBondContact O-NE 3Å; T31-R146 PolarHBondContact O-NH2 3.22Å; W34-R146 HydrophobicContact CE3-CB 4.18Å; W34-R146 HydrophobicContact CZ3-CB 4.09Å; W34-R146 VanDerWaalsContact NE1-NH2 3.17Å; A106-R146 HydrophobicContact CB-CG 4.18Å; R142-R146 VanDerWaalsContact O-CG 3.28Å; R142-R146 WeakPolarHBondContact O-CG 3.07Å; R142-R146 PolarHBondContact O-N 3Å; D143-R146 PolarHBondContact O-N 3.08Å; A144-R146 VanDerWaalsContact C-N 3.35Å; A144-R146 PolarHBondContact O-N 3.33Å; R146-T150 WeakPolarHBondContact O-CB 3.28Å; R146-T150 PolarHBondContact O-N 3.29Å; R146-T150 PolarHBondContact O-OG1 3.33Å
147R89.8Confident86.1Confident74 Ų7444.5 Ų44.528%0.27925%0.249SC..Hα-helixtrans-62.5-50.3176.5-73.2-175.2-171.6-91.9-5111.5D3 W34 D143 A144 A149 T150 A151D3-R147 IonicContact OD1-NH1 3.27Å; D3-R147 PolarHBondContact OD1-NH1 3.24Å; W34-R147 HydrophobicContact CH2-CG 4.33Å; W34-R147 HydrophobicContact CZ3-CG 3.58Å; D143-R147 WeakPolarHBondContact O-CG 3.2Å; D143-R147 PolarHBondContact O-N 2.83Å; D143-R147 IonicContact OD2-CZ 3.99Å; D143-R147 IonicContact OD2-NE 3.18Å; D143-R147 PolarHBondContact OD2-NE 3.17Å; D143-R147 IonicContact OD2-NH2 3.46Å; D143-R147 PolarHBondContact OD2-NH2 2.8Å; A144-R147 PolarHBondContact O-N 2.99Å; R147-A149 PolarHBondContact O-N 3.31Å; R147-T150 PolarHBondContact O-N 3.24Å; R147-A151 PolarHBondContact O-N 3.44Å
148Q90.4Very high84.8Confident67 Ų6741.4 Ų41.431%0.31323%0.227SC..Hα-helixtrans-62.8-43.9-179.6-70171.8-14.700111.1F138 A144 A151 I152F138-Q148 VanDerWaalsContact CB-OE1 3.29Å; F138-Q148 HydrophobicContact CD1-CB 3.6Å; F138-Q148 HydrophobicContact CD1-CG 4.37Å; F138-Q148 HydrophobicContact CE1-CB 3.65Å; F138-Q148 HydrophobicContact CG-CB 4.17Å; F138-Q148 HydrophobicContact CZ-CB 4.24Å; A144-Q148 WeakPolarHBondContact O-CB 3.42Å; A144-Q148 VanDerWaalsContact O-CG 3.3Å; A144-Q148 WeakPolarHBondContact O-CG 3.46Å; A144-Q148 PolarHBondContact O-N 2.98Å; Q148-A151 PolarHBondContact O-N 3.13Å; Q148-I152 PolarHBondContact O-N 3.09Å
149A91.9Very high83.4Confident0 Ų040.9 Ų40.90%023%0.225CC..Hα-helixtrans-66.3-41.2179.700000113I102 V120 F122 F138 V145 R147 A151 I152 I153I102-A149 HydrophobicContact CD1-CB 3.8Å; V120-A149 HydrophobicContact CG1-CB 4.18Å; V120-A149 HydrophobicContact CG2-CB 4.2Å; F122-A149 HydrophobicContact CE1-CB 4.08Å; F122-A149 WeakPolarHBondContact CE1-O 3.48Å; F122-A149 HydrophobicContact CZ-CB 3.95Å; F138-A149 HydrophobicContact CD2-CB 4.31Å; F138-A149 HydrophobicContact CE2-CB 3.63Å; F138-A149 HydrophobicContact CZ-CB 4.16Å; V145-A149 WeakPolarHBondContact O-CB 3.35Å; V145-A149 PolarHBondContact O-N 3.4Å; R147-A149 PolarHBondContact O-N 3.31Å; A149-A151 PolarHBondContact O-N 3.19Å; A149-I152 PolarHBondContact O-N 3.49Å; A149-I153 WeakPolarHBondContact O-CG2 3.18Å; A149-I153 PolarHBondContact O-N 3.43Å
150T90.3Very high81.9Confident1 Ų140.4 Ų40.41%0.00622%0.215CC..Hα-helixtrans-57.8-40.3175.8-590000111.2T31 W34 V35 V38 R146 R147 I153 A154T31-T150 WeakPolarHBondContact CG2-OG1 3.49Å; W34-T150 HydrophobicContact CB-CG2 4.07Å; V35-T150 HydrophobicContact CG2-CG2 4.24Å; V38-T150 HydrophobicContact CB-CG2 4.31Å; V38-T150 HydrophobicContact CG2-CG2 3.63Å; R146-T150 WeakPolarHBondContact O-CB 3.28Å; R146-T150 PolarHBondContact O-N 3.29Å; R146-T150 PolarHBondContact O-OG1 3.33Å; R147-T150 PolarHBondContact O-N 3.24Å; T150-I153 WeakPolarHBondContact O-CG2 3.39Å; T150-A154 VanDerWaalsContact O-CB 3.22Å; T150-A154 WeakPolarHBondContact O-CB 3.4Å; T150-A154 PolarHBondContact O-N 3.06Å; T150-A154 VanDerWaalsContact O-N 3.09Å
151A85.6Confident80.2Confident7 Ų743.4 Ų43.46%0.05821%0.21CC..Hα-helixtrans-70.6-38.3-178.300000114.5M1 L6 L9 R147 Q148 A149 S155M1-A151 HydrophobicContact CE-CB 3.06Å; M1-A151 HydrophobicContact SD-CB 3.15Å; M1-A151 WeakPolarHBondContact SD-CB 3.04Å; L6-A151 HydrophobicContact CD2-CB 4.23Å; L9-A151 HydrophobicContact CD2-CB 4.43Å; L9-A151 WeakPolarHBondContact CD2-O 3.48Å; R147-A151 PolarHBondContact O-N 3.44Å; Q148-A151 PolarHBondContact O-N 3.13Å; A149-A151 PolarHBondContact O-N 3.19Å; A151-S155 PolarHBondContact O-N 2.77Å
152I84.9Confident78.2Confident33 Ų3342 Ų4217%0.16921%0.206CC..Hα-helixtrans-65.2-42.3178.8-70.1-166.3000111.1F122 E136 F138 Q148 A149 S155 H158F122-I152 HydrophobicContact CD2-CG2 4.42Å; F122-I152 HydrophobicContact CE1-CG2 4.49Å; F122-I152 HydrophobicContact CE2-CG2 4.16Å; F122-I152 HydrophobicContact CZ-CB 4.24Å; F122-I152 HydrophobicContact CZ-CG2 4.18Å; E136-I152 HydrophobicContact CG-CD1 3.92Å; F138-I152 HydrophobicContact CE1-CD1 3.72Å; F138-I152 HydrophobicContact CZ-CD1 3.63Å; F138-I152 HydrophobicContact CZ-CG1 4.34Å; Q148-I152 PolarHBondContact O-N 3.09Å; A149-I152 PolarHBondContact O-N 3.49Å; I152-S155 PolarHBondContact O-OG 2.93Å; I152-H158 PolarHBondContact O-NE2 2.76Å
153I83Confident76.3Confident6 Ų642 Ų423%0.03122%0.216CC..Hα-helixtrans-77.8-27.5-177.9-167.671.4000112.5V35 V100 I102 F122 A149 T150 S155V35-I153 HydrophobicContact CB-CG2 4.25Å; V35-I153 HydrophobicContact CG1-CG2 3.77Å; V35-I153 HydrophobicContact CG2-CG2 3.4Å; V35-I153 VanDerWaalsContact CG2-CG2 3.4Å; V100-I153 HydrophobicContact CB-CD1 3.87Å; V100-I153 HydrophobicContact CB-CG1 3.64Å; V100-I153 HydrophobicContact CG1-CD1 3.99Å; V100-I153 HydrophobicContact CG1-CG1 3.94Å; V100-I153 HydrophobicContact CG2-CG1 4.32Å; I102-I153 HydrophobicContact CD1-CG2 4.49Å; F122-I153 HydrophobicContact CB-CD1 3.88Å; F122-I153 HydrophobicContact CD1-CB 3.76Å; F122-I153 HydrophobicContact CD1-CD1 3.91Å; F122-I153 HydrophobicContact CD1-CG1 4.22Å; F122-I153 HydrophobicContact CE1-CB 4.07Å; F122-I153 HydrophobicContact CG-CD1 4.32Å; A149-I153 WeakPolarHBondContact O-CG2 3.18Å; A149-I153 PolarHBondContact O-N 3.43Å; T150-I153 WeakPolarHBondContact O-CG2 3.39Å; I153-S155 VanDerWaalsContact C-N 3.3Å
154A79.2Confident74.3Confident3 Ų341.2 Ų41.23%0.02521%0.212CC..THydrogen-bonded Turntrans-83.81175.700000113.2L9 V13 V38 T150L9-A154 HydrophobicContact CD2-CB 3.56Å; L9-A154 HydrophobicContact CG-CB 4.22Å; L9-A154 WeakPolarHBondContact CG-O 3.46Å; V13-A154 WeakPolarHBondContact CG2-O 3.27Å; V38-A154 HydrophobicContact CG1-CB 3.84Å; T150-A154 VanDerWaalsContact O-CB 3.22Å; T150-A154 WeakPolarHBondContact O-CB 3.4Å; T150-A154 PolarHBondContact O-N 3.06Å; T150-A154 VanDerWaalsContact O-N 3.09Å
155S77.4Confident72.1Confident18 Ų1845.9 Ų45.913%0.12624%0.24CC..  trans-71.4144.8177.469.30000112.8A151 I152 I153 E157 H158A151-S155 PolarHBondContact O-N 2.77Å; I152-S155 PolarHBondContact O-OG 2.93Å; I153-S155 VanDerWaalsContact C-N 3.3Å; S155-E157 PolarHBondContact O-N 2.65Å; S155-H158 PolarHBondContact O-CD2 2.77Å; S155-H158 VanDerWaalsContact O-CD2 3.25Å; S155-H158 PolarHBondContact OG-NE2 2.85Å
156T62.1Low70.4Confident32 Ų3249 Ų4920%0.19627%0.272CS..G310 helixtrans-69.6-11.4178.651.80000113.8Q12 V13 A16 H158 I159Q12-T156 VanDerWaalsContact C-CG2 3.42Å; Q12-T156 HydrophobicContact CB-CG2 3.61Å; V13-T156 HydrophobicContact CB-CG2 4.39Å; V13-T156 HydrophobicContact CG2-CG2 3.79Å; A16-T156 HydrophobicContact CB-CG2 4.36Å; T156-H158 PolarHBondContact O-N 3.17Å; T156-I159 HydrophobicContact CG2-CD1 4.36Å; T156-I159 PolarHBondContact O-N 3.43Å
157E64.4Low68.8Low100 Ų10047.6 Ų47.647%0.46727%0.268SS..G310 helixtrans-49.5-22.9176.5-84.8-177.4177.900114.2S155 D160 L164S155-E157 PolarHBondContact O-N 2.65Å; E157-D160 VanDerWaalsContact O-O 3.13Å; E157-L164 HydrophobicContact CB-CD1 3.4Å; E157-L164 VanDerWaalsContact CB-CD1 3.4Å; E157-L164 HydrophobicContact CG-CD1 3.66Å
158H64.6Low67.7Low8 Ų847.8 Ų47.84%0.03728%0.277CS..G310 helixtrans-94.7-17.8-179.7-46.9-56000113.9F124 I132 I152 S155 T156 M167F124-H158 HydrophobicContact CB-CB 4.25Å; F124-H158 HydrophobicContact CD1-CB 4.24Å; F124-H158 HydrophobicContact CD2-CB 3.81Å; F124-H158 WeakPolarHBondContact CE1-O 3.32Å; F124-H158 HydrophobicContact CE2-CB 4.13Å; F124-H158 HydrophobicContact CG-CB 3.85Å; F124-H158 HydrophobicContact CZ-CB 4.46Å; F124-H158 VanDerWaalsContact CZ-O 3.24Å; F124-H158 WeakPolarHBondContact CZ-O 3.41Å; I132-H158 HydrophobicContact CD1-CB 4.1Å; I152-H158 PolarHBondContact O-NE2 2.76Å; S155-H158 PolarHBondContact O-CD2 2.77Å; S155-H158 VanDerWaalsContact O-CD2 3.25Å; S155-H158 PolarHBondContact OG-NE2 2.85Å; T156-H158 PolarHBondContact O-N 3.17Å; H158-M167 VanDerWaalsContact CE1-CE 3.46Å; H158-M167 WeakPolarHBondContact CE1-CE 3.45Å; H158-M167 VanDerWaalsContact ND1-CE 3.26Å; H158-M167 WeakPolarHBondContact ND1-CE 3.49Å
159I62.8Low66.5Low14 Ų1447 Ų477%0.07229%0.288CS..THydrogen-bonded Turntrans-81.6-34.2-177.6-59173.6000110.3V13 A16 L17 T156V13-I159 HydrophobicContact CG1-CD1 4.23Å; A16-I159 HydrophobicContact CB-CD1 4Å; A16-I159 HydrophobicContact CB-CG2 4.26Å; L17-I159 HydrophobicContact CD2-CD1 4.35Å; L17-I159 HydrophobicContact CG-CD1 4.18Å; T156-I159 HydrophobicContact CG2-CD1 4.36Å; T156-I159 PolarHBondContact O-N 3.43Å
160D56.8Low65Low87 Ų8748.9 Ų48.947%0.46530%0.299SS..SBendtrans-88.4134.4166.9-68.5-43.6000108.2R20 E157 P162R20-D160 IonicContact CZ-OD1 3.13Å; R20-D160 IonicContact NH2-OD1 2.87Å; R20-D160 PolarHBondContact NH2-OD1 3.39Å; E157-D160 VanDerWaalsContact O-O 3.13Å; D160-P162 WeakPolarHBondContact O-CD 3.43Å
161Y54.8Low63.5Low120 Ų12058.1 Ų58.147%0.47134%0.339SS..  trans-95.538.9-158.8-134.6-104.8000117.2F124 T126 E130F124-Y161 HydrophobicContact CE1-CE2 4.5Å; T126-Y161 HydrophobicContact CG2-CE2 3.75Å; E130-Y161 WeakPolarHBondContact CB-OH 3.43Å; E130-Y161 VanDerWaalsContact OE2-CE1 3.25Å; E130-Y161 WeakPolarHBondContact OE2-CE1 3.34Å; E130-Y161 PolarHBondContact OE2-OH 3.22Å
162P46.9Very low62.2Low78 Ų7858.2 Ų58.251%0.50634%0.338SS..  trans-91.4125.9164.130.1-17.2000108.8D160 L164D160-P162 WeakPolarHBondContact O-CD 3.43Å; P162-L164 HydrophobicContact CG-CD2 4.46Å; P162-L164 PolarHBondContact O-N 2.86Å
163V51.6Low60.7Low95 Ų9559 Ų5958%0.57635%0.35SS*.  trans-51.4104.2165.4178.50000107.6M167V163-M167 HydrophobicContact CG1-CB 4.36Å; V163-M167 WeakPolarHBondContact CG1-O 3.4Å
164L48.6Very low59.3Low46 Ų4663.6 Ų63.624%0.24137%0.374CS..  trans-74.3154.4-178.4-71.3170.1000110E157 P162 G166 M167E157-L164 HydrophobicContact CB-CD1 3.4Å; E157-L164 VanDerWaalsContact CB-CD1 3.4Å; E157-L164 HydrophobicContact CG-CD1 3.66Å; P162-L164 HydrophobicContact CG-CD2 4.46Å; P162-L164 PolarHBondContact O-N 2.86Å; L164-G166 PolarHBondContact O-N 2.92Å; L164-G166 VanDerWaalsContact O-N 3.11Å; L164-M167 HydrophobicContact CB-CG 4.24Å; L164-M167 HydrophobicContact CB-SD 4.08Å; L164-M167 PolarHBondContact O-N 3.44Å
165P44.7Very low58.6Low126 Ų12666.8 Ų66.882%0.81839%0.39SS*.THydrogen-bonded Turntrans-52.7120.8176.4-23.732.9000111.2
166G55.3Low57.8Low66 Ų6672.8 Ų72.868%0.6842%0.416SS*.THydrogen-bonded Turntrans96.91.5-178.600000115.8L164L164-G166 PolarHBondContact O-N 2.92Å; L164-G166 VanDerWaalsContact O-N 3.11Å
167M60.1Low58.2Low18 Ų1877.4 Ų77.49%0.08944%0.44CS..PPolyproline II helixtrans-101.3139.3173.8-55.9-164.181.900111.8I132 T133 R134 H158 V163 L164I132-M167 HydrophobicContact CB-CB 4.49Å; I132-M167 HydrophobicContact CB-CE 3.88Å; I132-M167 HydrophobicContact CD1-CE 3.29Å; I132-M167 HydrophobicContact CD1-SD 3.67Å; I132-M167 HydrophobicContact CG1-CE 3.46Å; I132-M167 VanDerWaalsContact CG1-CE 3.46Å; I132-M167 HydrophobicContact CG1-SD 4.38Å; T133-M167 WeakPolarHBondContact O-CA 3.38Å; R134-M167 HydrophobicContact CB-CE 4.29Å; H158-M167 VanDerWaalsContact CE1-CE 3.46Å; H158-M167 WeakPolarHBondContact CE1-CE 3.45Å; H158-M167 VanDerWaalsContact ND1-CE 3.26Å; H158-M167 WeakPolarHBondContact ND1-CE 3.49Å; V163-M167 HydrophobicContact CG1-CB 4.36Å; V163-M167 WeakPolarHBondContact CG1-O 3.4Å; L164-M167 HydrophobicContact CB-CG 4.24Å; L164-M167 HydrophobicContact CB-SD 4.08Å; L164-M167 PolarHBondContact O-N 3.44Å
168T66.1Low58.4Low78 Ų7879.4 Ų79.448%0.47945%0.447SS..EExtended strand (participates in β ladder)trans-98.9122.3175.3-48.10000108.9I132 T133I132-T168 VanDerWaalsContact CA-O 3.29Å; I132-T168 WeakPolarHBondContact CA-O 3.43Å; T133-T168 PolarHBondContact N-O 3.46Å; T133-T168 PolarHBondContact O-N 2.58Å
169G64.4Low58.9Low51 Ų5184.4 Ų84.453%0.52647%0.47SS..EExtended strand (participates in β ladder)trans-72.2130172.300000111.1
170V61.3Low59.6Low40 Ų4091.5 Ų91.524%0.24250%0.5CS..EExtended strand (participates in β ladder)trans-126.5126.6-179-172.70000109.4G131 T133 M172G131-V170 PolarHBondContact N-O 3.18Å; G131-V170 VanDerWaalsContact N-O 3.07Å; G131-V170 PolarHBondContact O-N 3.27Å; T133-V170 HydrophobicContact CG2-CG2 3.86Å; V170-M172 HydrophobicContact CB-SD 3.97Å; V170-M172 HydrophobicContact CG1-SD 3.69Å; V170-M172 PolarHBondContact O-N 2.95Å
171K59.5Low60.8Low194 Ų19490.4 Ų90.484%0.84350%0.503SS*.EExtended strand (participates in β ladder)trans-74.7111.2163.6-96.1-172.5174.5-179.60107.8A173K171-A173 VanDerWaalsContact C-N 3.25Å; K171-A173 PolarHBondContact O-N 3.27Å
172M56.7Low62.1Low9 Ų989.1 Ų89.14%0.04450%0.504CS..  trans-82.676.3-177.9-56.5-65-9400107.9V84 A87 I88 A125 G129 V170 I174V84-M172 HydrophobicContact CB-CE 3.82Å; V84-M172 HydrophobicContact CB-SD 4.3Å; V84-M172 HydrophobicContact CG1-CE 3.55Å; V84-M172 HydrophobicContact CG1-SD 3.68Å; V84-M172 HydrophobicContact CG2-CE 3.88Å; V84-M172 HydrophobicContact CG2-SD 4.01Å; V84-M172 WeakPolarHBondContact O-CE 3.4Å; A87-M172 HydrophobicContact CB-CE 4.48Å; I88-M172 HydrophobicContact CD1-CB 3.91Å; I88-M172 HydrophobicContact CD1-CE 3.78Å; I88-M172 HydrophobicContact CD1-SD 4.26Å; I88-M172 HydrophobicContact CG1-CB 4.08Å; I88-M172 HydrophobicContact CG1-CE 3.68Å; A125-M172 HydrophobicContact CB-CE 4.07Å; G129-M172 PolarHBondContact O-N 3.06Å; V170-M172 HydrophobicContact CB-SD 3.97Å; V170-M172 HydrophobicContact CG1-SD 3.69Å; V170-M172 PolarHBondContact O-N 2.95Å; M172-I174 PolarHBondContact O-N 3.34Å
173A54.2Low63.9Low50 Ų5088.4 Ų88.441%0.41351%0.505SS..  trans-69.2118.9-173.200000111.9K171 D175 E176K171-A173 VanDerWaalsContact C-N 3.25Å; K171-A173 PolarHBondContact O-N 3.27Å; A173-D175 PolarHBondContact O-N 3.26Å; A173-E176 HydrophobicContact CB-CG 4.22Å
174I53.4Low65.7Low103 Ų10387 Ų8753%0.52850%0.503SS..SBendtrans-67.5106164.5-57.1167.6000107.5M172 Q179M172-I174 PolarHBondContact O-N 3.34Å; I174-Q179 PolarHBondContact O-NE2 3.05Å
175D63.8Low67.6Low69 Ų6987 Ų8737%0.36951%0.51SS..  trans37.985.6167-165.6-14.6000115.6A173 N177 K178 Q179A173-D175 PolarHBondContact O-N 3.26Å; D175-N177 PolarHBondContact O-N 2.82Å; D175-N177 VanDerWaalsContact O-N 3.17Å; D175-N177 WeakPolarHBondContact OD1-CB 2.97Å; D175-N177 PolarHBondContact OD1-N 3.46Å; D175-K178 HydrophobicContact CB-CB 4.11Å; D175-K178 HydrophobicContact CB-CD 4.05Å; D175-K178 HydrophobicContact CB-CG 4.15Å; D175-K178 WeakPolarHBondContact O-CB 3.29Å; D175-K178 PolarHBondContact O-N 3.08Å; D175-K178 PolarHBondContact OD1-N 3.01Å; D175-K178 VanDerWaalsContact OD2-CD 3.3Å; D175-K178 WeakPolarHBondContact OD2-CD 3.16Å; D175-K178 WeakPolarHBondContact OD2-CE 3.45Å; D175-K178 VanDerWaalsContact OD2-CG 3.29Å; D175-K178 WeakPolarHBondContact OD2-CG 3.37Å; D175-Q179 PolarHBondContact O-N 3.11Å
176E62.4Low69.7Low144 Ų14483.6 Ų83.667%0.67348%0.484SS*.Hα-helixtrans-55.6-31.8179-64.2178.3173.700113.4A173 Q179 K180A173-E176 HydrophobicContact CB-CG 4.22Å; E176-Q179 PolarHBondContact O-N 3.31Å; E176-K180 PolarHBondContact O-N 2.87Å
177N68.8Low71.2Confident129 Ų12982.2 Ų82.269%0.6947%0.471SS*.Hα-helixtrans-67-39.6177.2-74.3-34.2000111.2D175 K180 A181D175-N177 PolarHBondContact O-N 2.82Å; D175-N177 VanDerWaalsContact O-N 3.17Å; D175-N177 WeakPolarHBondContact OD1-CB 2.97Å; D175-N177 PolarHBondContact OD1-N 3.46Å; N177-K180 PolarHBondContact O-N 2.85Å; N177-A181 WeakPolarHBondContact O-CB 3.5Å; N177-A181 PolarHBondContact O-N 3.03Å
178K70.1Confident72.6Confident143 Ų14387 Ų8762%0.62249%0.492SS*.Hα-helixtrans-62.8-42172.7-79.6-178-179-1740111.9D175 A181 L182D175-K178 HydrophobicContact CB-CB 4.11Å; D175-K178 HydrophobicContact CB-CD 4.05Å; D175-K178 HydrophobicContact CB-CG 4.15Å; D175-K178 WeakPolarHBondContact O-CB 3.29Å; D175-K178 PolarHBondContact O-N 3.08Å; D175-K178 PolarHBondContact OD1-N 3.01Å; D175-K178 VanDerWaalsContact OD2-CD 3.3Å; D175-K178 WeakPolarHBondContact OD2-CD 3.16Å; D175-K178 WeakPolarHBondContact OD2-CE 3.45Å; D175-K178 VanDerWaalsContact OD2-CG 3.29Å; D175-K178 WeakPolarHBondContact OD2-CG 3.37Å; K178-A181 PolarHBondContact O-N 3.25Å; K178-L182 WeakPolarHBondContact O-CB 3.43Å; K178-L182 PolarHBondContact O-N 2.58Å
179Q74.7Confident73.7Confident112 Ų11285.8 Ų85.852%0.52348%0.483SS..Hα-helixtrans-64.5-41.5179.3-65.6-172.83.200111.9I174 D175 E176 L182 A183I174-Q179 PolarHBondContact O-NE2 3.05Å; D175-Q179 PolarHBondContact O-N 3.11Å; E176-Q179 PolarHBondContact O-N 3.31Å; Q179-L182 PolarHBondContact O-N 3.37Å; Q179-A183 WeakPolarHBondContact O-CB 3.41Å; Q179-A183 PolarHBondContact O-N 3.35Å
180K77.2Confident74.7Confident163 Ų16387.3 Ų87.371%0.70948%0.476SS*.Hα-helixtrans-64.2-45.6175.9-172.4178.5179.7-179.70112.2E176 N177 A183 A184E176-K180 PolarHBondContact O-N 2.87Å; N177-K180 PolarHBondContact O-N 2.85Å; K180-A183 PolarHBondContact O-N 2.94Å; K180-A184 PolarHBondContact O-N 2.91Å; K180-A184 VanDerWaalsContact O-N 3.07Å
181A81.5Confident76Confident64 Ų6494.5 Ų94.553%0.52950%0.504SS..Hα-helixtrans-64-42.117700000111.9N177 K178 A184 A185N177-A181 WeakPolarHBondContact O-CB 3.5Å; N177-A181 PolarHBondContact O-N 3.03Å; K178-A181 PolarHBondContact O-N 3.25Å; A181-A184 PolarHBondContact O-N 3.43Å; A181-A185 WeakPolarHBondContact O-CB 3.4Å; A181-A185 PolarHBondContact O-N 2.89Å
182L81.9Confident77.4Confident94 Ų9491.1 Ų91.149%0.49249%0.491SS..Hα-helixtrans-61.9-46.3175.9178.462.1000111.5K178 Q179 A184 A185 L186K178-L182 WeakPolarHBondContact O-CB 3.43Å; K178-L182 PolarHBondContact O-N 2.58Å; Q179-L182 PolarHBondContact O-N 3.37Å; L182-A184 VanDerWaalsContact C-N 3.33Å; L182-A184 PolarHBondContact O-N 3.44Å; L182-A185 PolarHBondContact O-N 3.03Å; L182-L186 HydrophobicContact CD1-CD1 4.17Å; L182-L186 HydrophobicContact CD1-CG 4.26Å; L182-L186 HydrophobicContact CG-CD1 3.89Å; L182-L186 HydrophobicContact CG-CG 4.45Å; L182-L186 WeakPolarHBondContact O-CB 3.29Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.24Å; L182-L186 PolarHBondContact O-N 3.39Å
183A86.2Confident79Confident62 Ų6297.9 Ų97.951%0.51252%0.521SS..Hα-helixtrans-62.2-39.9178.200000112.3Q179 K180 G187Q179-A183 WeakPolarHBondContact O-CB 3.41Å; Q179-A183 PolarHBondContact O-N 3.35Å; K180-A183 PolarHBondContact O-N 2.94Å; A183-G187 PolarHBondContact O-N 2.95Å
184A88.5Confident80.2Confident66 Ų6697 Ų9755%0.54552%0.517SS..Hα-helixtrans-64.8-43.417500000112.1K180 A181 L182 G187 Q188K180-A184 PolarHBondContact O-N 2.91Å; K180-A184 VanDerWaalsContact O-N 3.07Å; A181-A184 PolarHBondContact O-N 3.43Å; L182-A184 VanDerWaalsContact C-N 3.33Å; L182-A184 PolarHBondContact O-N 3.44Å; A184-G187 PolarHBondContact O-N 2.97Å; A184-Q188 PolarHBondContact O-N 2.55Å
185A89.5Confident81.3Confident46 Ų46101.9 Ų101.938%0.3853%0.534SS..Hα-helixtrans-63.6-45.8176.700000112A181 L182 G187 Q188 I189A181-A185 WeakPolarHBondContact O-CB 3.4Å; A181-A185 PolarHBondContact O-N 2.89Å; L182-A185 PolarHBondContact O-N 3.03Å; A185-G187 PolarHBondContact O-N 2.98Å; A185-Q188 PolarHBondContact O-N 3.42Å; A185-I189 VanDerWaalsContact O-CG1 3.3Å; A185-I189 WeakPolarHBondContact O-CG1 3.41Å; A185-I189 PolarHBondContact O-N 3.07Å
186L87.5Confident81.6Confident54 Ų54100.4 Ų100.428%0.28354%0.535SS..Hα-helixtrans-55.9-49.4174.9-75164.2000111.2L182 Q188 I189 E190 I198L182-L186 HydrophobicContact CD1-CD1 4.17Å; L182-L186 HydrophobicContact CD1-CG 4.26Å; L182-L186 HydrophobicContact CG-CD1 3.89Å; L182-L186 HydrophobicContact CG-CG 4.45Å; L182-L186 WeakPolarHBondContact O-CB 3.29Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.24Å; L182-L186 PolarHBondContact O-N 3.39Å; L186-Q188 VanDerWaalsContact C-N 3.32Å; L186-Q188 PolarHBondContact O-N 3.31Å; L186-I189 PolarHBondContact O-N 2.86Å; L186-E190 PolarHBondContact O-N 2.6Å; L186-I198 HydrophobicContact CD2-CB 4.39Å; L186-I198 HydrophobicContact CD2-CD1 3.97Å; L186-I198 HydrophobicContact CD2-CG1 3.91Å; L186-I198 HydrophobicContact CD2-CG2 3.64Å
187G87.3Confident82.3Confident38 Ų3896 Ų9639%0.39252%0.52SS..Hα-helixtrans-64.2-33.1178.800000113.8A183 A184 A185 K191A183-G187 PolarHBondContact O-N 2.95Å; A184-G187 PolarHBondContact O-N 2.97Å; A185-G187 PolarHBondContact O-N 2.98Å; G187-K191 WeakPolarHBondContact O-CB 2.8Å; G187-K191 PolarHBondContact O-N 3.38Å; G187-K191 VanDerWaalsContact O-N 3.09Å
188Q90.1Very high82.8Confident117 Ų11793 Ų9355%0.54750%0.504SS..Hα-helixtrans-68.3-42.7174.3-177.7176.5-20.600111.9A184 A185 L186 K191 Q192A184-Q188 PolarHBondContact O-N 2.55Å; A185-Q188 PolarHBondContact O-N 3.42Å; L186-Q188 VanDerWaalsContact C-N 3.32Å; L186-Q188 PolarHBondContact O-N 3.31Å; Q188-K191 PolarHBondContact O-N 2.99Å; Q188-Q192 WeakPolarHBondContact O-CG 3.47Å; Q188-Q192 PolarHBondContact O-N 3.35Å
189I87.7Confident83.2Confident54 Ų5489.9 Ų89.928%0.27749%0.492SS..Hα-helixtrans-62.5-49177.5-67165.8000109.9A185 L186 K191 Q192 F193 I198A185-I189 VanDerWaalsContact O-CG1 3.3Å; A185-I189 WeakPolarHBondContact O-CG1 3.41Å; A185-I189 PolarHBondContact O-N 3.07Å; L186-I189 PolarHBondContact O-N 2.86Å; I189-K191 VanDerWaalsContact C-N 3.28Å; I189-K191 PolarHBondContact O-N 2.97Å; I189-Q192 PolarHBondContact O-N 3.16Å; I189-Q192 VanDerWaalsContact O-N 3.1Å; I189-F193 HydrophobicContact CG2-CD2 3.94Å; I189-F193 WeakPolarHBondContact O-CD2 3.45Å; I189-F193 PolarHBondContact O-N 3.12Å; I189-I198 HydrophobicContact CB-CG2 3.92Å; I189-I198 HydrophobicContact CD1-CD1 4.07Å; I189-I198 HydrophobicContact CD1-CG2 4.4Å; I189-I198 HydrophobicContact CG2-CB 4.06Å; I189-I198 HydrophobicContact CG2-CG2 3.53Å
190E87.1Confident83.2Confident82 Ų8292.9 Ų92.938%0.38350%0.499SS..Hα-helixtrans-59.8-37.2177.2-72.5-165.7142.700112.9L186 G194 S197 I198L186-E190 PolarHBondContact O-N 2.6Å; E190-G194 WeakPolarHBondContact CA-O 3.41Å; E190-G194 CarbonylContact O-C 3.56Å; E190-G194 WeakPolarHBondContact O-CA 3.39Å; E190-G194 PolarHBondContact O-N 2.85Å; E190-S197 WeakPolarHBondContact CA-OG 3.32Å; E190-I198 HydrophobicContact CG-CG2 4.45Å
191K88.1Confident82.8Confident191 Ų19190.3 Ų90.383%0.8349%0.493SS*.Hα-helixtrans-67.4-34.8176.6-174.5179.2177.9-177.80112.6G187 Q188 I189G187-K191 WeakPolarHBondContact O-CB 2.8Å; G187-K191 PolarHBondContact O-N 3.38Å; G187-K191 VanDerWaalsContact O-N 3.09Å; Q188-K191 PolarHBondContact O-N 2.99Å; I189-K191 VanDerWaalsContact C-N 3.28Å; I189-K191 PolarHBondContact O-N 2.97Å
192Q89.7Confident82Confident123 Ų12390.9 Ų90.958%0.57550%0.504SS*.Hα-helixtrans-81.9-40-178-74.7-178.9-1900112.8Q188 I189Q188-Q192 WeakPolarHBondContact O-CG 3.47Å; Q188-Q192 PolarHBondContact O-N 3.35Å; I189-Q192 PolarHBondContact O-N 3.16Å; I189-Q192 VanDerWaalsContact O-N 3.1Å
193F88.3Confident81.3Confident151 Ų15192.7 Ų92.766%0.66251%0.51SS*.Hα-helixtrans-114.6-1.7-169.9-57.4-72000114I189I189-F193 HydrophobicContact CG2-CD2 3.94Å; I189-F193 WeakPolarHBondContact O-CD2 3.45Å; I189-F193 PolarHBondContact O-N 3.12Å
194G79.9Confident80.3Confident33 Ų3391 Ų9134%0.3449%0.493SS..  trans98.1166.1179.700000113.6E190 S197E190-G194 WeakPolarHBondContact CA-O 3.41Å; E190-G194 CarbonylContact O-C 3.56Å; E190-G194 WeakPolarHBondContact O-CA 3.39Å; E190-G194 PolarHBondContact O-N 2.85Å; G194-S197 VanDerWaalsContact O-CB 3.29Å; G194-S197 WeakPolarHBondContact O-CB 3.5Å; G194-S197 PolarHBondContact O-N 3.4Å; G194-S197 PolarHBondContact O-OG 3.1Å
195K76.9Confident79.1Confident204 Ų20496.8 Ų96.889%0.88750%0.5SS*.THydrogen-bonded Turntrans-60.9137.4175.6-71-171.8174.6-174.80110.3S197K195-S197 VanDerWaalsContact C-N 3.28Å; K195-S197 PolarHBondContact O-N 3.08Å
196G70Confident77.7Confident38 Ų3898 Ų9839%0.39251%0.506SS..THydrogen-bonded Turntrans78.95-179.100000114.8I198 M199G196-I198 PolarHBondContact O-N 3.46Å; G196-M199 WeakPolarHBondContact O-CE 3.34Å
197S77.9Confident76.6Confident51 Ų5196.7 Ų96.736%0.35750%0.499SS..SBendtrans-64.5-25.5172.9520000113.3E190 G194 K195E190-S197 WeakPolarHBondContact CA-OG 3.32Å; G194-S197 VanDerWaalsContact O-CB 3.29Å; G194-S197 WeakPolarHBondContact O-CB 3.5Å; G194-S197 PolarHBondContact O-N 3.4Å; G194-S197 PolarHBondContact O-OG 3.1Å; K195-S197 VanDerWaalsContact C-N 3.28Å; K195-S197 PolarHBondContact O-N 3.08Å
198I79.3Confident75.8Confident67 Ų6798.8 Ų98.834%0.34450%0.501SS..SBendtrans-150.5134171.3-169.5164.1000109.4L186 I189 E190 G196L186-I198 HydrophobicContact CD2-CB 4.39Å; L186-I198 HydrophobicContact CD2-CD1 3.97Å; L186-I198 HydrophobicContact CD2-CG1 3.91Å; L186-I198 HydrophobicContact CD2-CG2 3.64Å; I189-I198 HydrophobicContact CB-CG2 3.92Å; I189-I198 HydrophobicContact CD1-CD1 4.07Å; I189-I198 HydrophobicContact CD1-CG2 4.4Å; I189-I198 HydrophobicContact CG2-CB 4.06Å; I189-I198 HydrophobicContact CG2-CG2 3.53Å; E190-I198 HydrophobicContact CG-CG2 4.45Å; G196-I198 PolarHBondContact O-N 3.46Å
199M77.3Confident75.1Confident77 Ų7794.7 Ų94.738%0.37948%0.484SS..  trans-154.4165.3178.245.3-176.314800110.3G196 D204G196-M199 WeakPolarHBondContact O-CE 3.34Å; M199-D204 HydrophobicContact CE-CB 3.93Å; M199-D204 WeakPolarHBondContact CE-OD1 3.38Å; M199-D204 WeakPolarHBondContact CE-OD2 3.39Å; M199-D204 HydrophobicContact CG-CB 3.91Å; M199-D204 HydrophobicContact SD-CB 3.5Å; M199-D204 VanDerWaalsContact SD-CB 3.5Å
200R74.7Confident75.2Confident175 Ų17596.1 Ų96.166%0.6649%0.489SS*.  trans-69.4133.3173.1-66.2178.7178.9-130.80.2108.4G202 E203 D204R200-G202 PolarHBondContact O-N 3.45Å; R200-G202 VanDerWaalsContact O-N 3.1Å; R200-E203 HydrophobicContact CB-CG 4.34Å; R200-E203 PolarHBondContact O-N 2.94Å; R200-D204 PolarHBondContact O-N 2.91Å
201L69.5Low75.6Confident110 Ų11094 Ų9458%0.57648%0.482SS*.G310 helixtrans-53.2-38.1-174.3-171.568.9000113.4E203 D204 M207L201-E203 PolarHBondContact O-N 2.95Å; L201-D204 PolarHBondContact O-N 3.42Å; L201-M207 HydrophobicContact CD1-CG 4.08Å; L201-M207 HydrophobicContact CD1-SD 3.51Å; L201-M207 VanDerWaalsContact CD1-SD 3.51Å
202G64Low76Confident75 Ų7585 Ų8577%0.77344%0.443SS*.G310 helixtrans-73-10.2179.500000115.3R200R200-G202 PolarHBondContact O-N 3.45Å; R200-G202 VanDerWaalsContact O-N 3.1Å
203E68.4Low76.4Confident132 Ų13280 Ų8062%0.61742%0.422SS*.G310 helixtrans-103.1-12.2179-64.7171.1-172.300112R200 L201 R205R200-E203 HydrophobicContact CB-CG 4.34Å; R200-E203 PolarHBondContact O-N 2.94Å; L201-E203 PolarHBondContact O-N 2.95Å; E203-R205 PolarHBondContact O-N 3Å; E203-R205 VanDerWaalsContact O-N 3.17Å
204D64.6Low76.9Confident27 Ų2772.9 Ų72.914%0.14439%0.39CS..  trans-80.895.9-178.2-171-7.6000111.5M199 R200 L201 S206 M207M199-D204 HydrophobicContact CE-CB 3.93Å; M199-D204 WeakPolarHBondContact CE-OD1 3.38Å; M199-D204 WeakPolarHBondContact CE-OD2 3.39Å; M199-D204 HydrophobicContact CG-CB 3.91Å; M199-D204 HydrophobicContact SD-CB 3.5Å; M199-D204 VanDerWaalsContact SD-CB 3.5Å; R200-D204 PolarHBondContact O-N 2.91Å; L201-D204 PolarHBondContact O-N 3.42Å; D204-S206 PolarHBondContact O-N 3.23Å; D204-S206 WeakPolarHBondContact OD1-CA 3.26Å; D204-S206 VanDerWaalsContact OD1-CB 3.25Å; D204-S206 WeakPolarHBondContact OD1-CB 3.33Å; D204-S206 PolarHBondContact OD1-N 3.47Å; D204-S206 PolarHBondContact OD1-OG 3.43Å; D204-S206 PolarHBondContact OD2-OG 3.19Å; D204-M207 HydrophobicContact CB-CB 4.16Å; D204-M207 HydrophobicContact CB-CG 3.86Å; D204-M207 WeakPolarHBondContact O-CB 3.43Å; D204-M207 PolarHBondContact O-N 3.04Å; D204-M207 PolarHBondContact OD1-N 3.49Å; D204-M207 WeakPolarHBondContact OD2-CG 3.36Å
205R64.4Low77.7Confident188 Ų18871.4 Ų71.471%0.70938%0.376SS*.G310 helixtrans-64.1-24.4174.8-65.8-70.9160.8-169.6-3.6113.2E203 M207 D208E203-R205 PolarHBondContact O-N 3Å; E203-R205 VanDerWaalsContact O-N 3.17Å; R205-M207 PolarHBondContact O-N 2.87Å; R205-D208 IonicContact NH1-OD2 3.47Å; R205-D208 PolarHBondContact NH1-OD2 3.35Å; R205-D208 WeakPolarHBondContact O-CB 3.32Å; R205-D208 PolarHBondContact O-N 2.88Å
206S60Low78.7Confident70 Ų7061.7 Ų61.749%0.4933%0.333SS..G310 helixtrans-71.3-15.9175.481.80000111.8D204 K355D204-S206 PolarHBondContact O-N 3.23Å; D204-S206 WeakPolarHBondContact OD1-CA 3.26Å; D204-S206 VanDerWaalsContact OD1-CB 3.25Å; D204-S206 WeakPolarHBondContact OD1-CB 3.33Å; D204-S206 PolarHBondContact OD1-N 3.47Å; D204-S206 PolarHBondContact OD1-OG 3.43Å; D204-S206 PolarHBondContact OD2-OG 3.19Å; S206-K355 WeakPolarHBondContact O-CE 3.46Å; S206-K355 PolarHBondContact O-NZ 3.04Å
207M64.3Low80Confident28 Ų2859.9 Ų59.914%0.13832%0.315CS..G310 helixtrans-81.5-12.8175.1-75.8-105.557.200113.9L201 D204 R205 V209 P507L201-M207 HydrophobicContact CD1-CG 4.08Å; L201-M207 HydrophobicContact CD1-SD 3.51Å; L201-M207 VanDerWaalsContact CD1-SD 3.51Å; D204-M207 HydrophobicContact CB-CB 4.16Å; D204-M207 HydrophobicContact CB-CG 3.86Å; D204-M207 WeakPolarHBondContact O-CB 3.43Å; D204-M207 PolarHBondContact O-N 3.04Å; D204-M207 PolarHBondContact OD1-N 3.49Å; D204-M207 WeakPolarHBondContact OD2-CG 3.36Å; R205-M207 PolarHBondContact O-N 2.87Å; M207-V209 PolarHBondContact O-N 2.92Å; M207-P507 HydrophobicContact CE-CG 3.65Å
208D68.9Low80.9Confident81 Ų8158.3 Ų58.343%0.43330%0.303SS..SBendtrans-58.1128.5174.7-70.1-18.7000109R205 E210R205-D208 IonicContact NH1-OD2 3.47Å; R205-D208 PolarHBondContact NH1-OD2 3.35Å; R205-D208 WeakPolarHBondContact O-CB 3.32Å; R205-D208 PolarHBondContact O-N 2.88Å; D208-E210 PolarHBondContact O-N 3.49Å
209V75.3Confident81.8Confident32 Ų3255.1 Ų55.119%0.19429%0.287CS..  trans-83.885.9-175.6-175.70000109M207 T211 P229 I423 S505M207-V209 PolarHBondContact O-N 2.92Å; V209-T211 HydrophobicContact CG1-CG2 4.13Å; V209-P229 HydrophobicContact CG1-CB 4.02Å; V209-I423 HydrophobicContact CG1-CB 4.17Å; V209-I423 HydrophobicContact CG1-CG2 3.84Å; V209-S505 VanDerWaalsContact CG2-O 3.31Å; V209-S505 WeakPolarHBondContact CG2-O 2.77Å
210E91.3Very high82.8Confident84 Ų8451.4 Ų51.439%0.39327%0.269SS..  trans-65.6137165.8-174.6-175.5164.700109.7D208 P229 M230 K260 N358D208-E210 PolarHBondContact O-N 3.49Å; E210-P229 WeakPolarHBondContact O-CA 3.37Å; E210-M230 HydrophobicContact CB-CB 4.14Å; E210-M230 HydrophobicContact CB-CG 4.07Å; E210-M230 HydrophobicContact CG-CB 4.39Å; E210-M230 HydrophobicContact CG-CG 3.8Å; E210-M230 PolarHBondContact O-N 2.95Å; E210-K260 IonicContact OE1-NZ 3.87Å; E210-N358 PolarHBondContact OE2-ND2 3.42Å
211T95.3Very high83.7Confident38 Ų3844.1 Ų44.123%0.23324%0.243CC..EExtended strand (participates in β ladder)trans-125.1151.1177.165.70000111.9V209 A225 L228 I423V209-T211 HydrophobicContact CG1-CG2 4.13Å; T211-A225 HydrophobicContact CG2-CB 3.99Å; T211-A225 PolarHBondContact OG1-O 2.64Å; T211-L228 CarbonylContact C-O 3.51Å; T211-L228 WeakPolarHBondContact CA-O 3.2Å; T211-I423 HydrophobicContact CG2-CD1 4.3Å
212I96.4Very high85Confident0 Ų039 Ų390%022%0.217CC..EExtended strand (participates in β ladder)trans-112.5137.9172.9-161.361.3000110.6G227 L228 M230 V251 A255 E258 K260 L360I212-G227 CarbonylContact O-C 3.51Å; I212-G227 WeakPolarHBondContact O-CA 3.44Å; I212-L228 HydrophobicContact CG2-CB 4.05Å; I212-L228 PolarHBondContact N-O 2.95Å; I212-L228 PolarHBondContact O-N 3.45Å; I212-M230 HydrophobicContact CB-SD 4.18Å; I212-M230 HydrophobicContact CG2-SD 4.4Å; I212-V251 HydrophobicContact CG2-CG1 3.99Å; I212-A255 HydrophobicContact CD1-CB 4.26Å; I212-A255 HydrophobicContact CG1-CB 4Å; I212-E258 WeakPolarHBondContact CD1-OE2 3.02Å; I212-K260 HydrophobicContact CD1-CD 3.83Å; I212-L360 HydrophobicContact CG2-CD2 3.43Å; I212-L360 VanDerWaalsContact CG2-CD2 3.43Å
213S97.4Very high86.5Confident20 Ų2035.5 Ų35.514%0.1418%0.18CC..  trans-61.9143.5-179.7-179.40000111.4G215 D220S213-G215 VanDerWaalsContact C-N 3.26Å; S213-G215 PolarHBondContact O-N 3.34Å; S213-G215 PolarHBondContact OG-N 3.48Å; S213-D220 WeakPolarHBondContact CB-OD2 3.28Å; S213-D220 PolarHBondContact OG-OD2 2.77Å
214T98.3Very high87.6Confident0 Ų029.2 Ų29.20%015%0.151CC..  trans-79.7-7.7174.359.10000114.1S216 L219 D220 L223 L228T214-S216 PolarHBondContact O-N 3.31Å; T214-S216 PolarHBondContact OG1-N 3.49Å; T214-S216 PolarHBondContact OG1-O 3.06Å; T214-S216 VanDerWaalsContact OG1-O 3.06Å; T214-L219 HydrophobicContact CG2-CD2 3.87Å; T214-L219 HydrophobicContact CG2-CG 4.04Å; T214-D220 WeakPolarHBondContact CB-OD1 3.35Å; T214-D220 PolarHBondContact N-OD1 2.97Å; T214-D220 PolarHBondContact OG1-OD1 3.43Å; T214-L223 HydrophobicContact CG2-CD1 3.61Å; T214-L228 HydrophobicContact CG2-CD1 4.29Å; T214-L228 HydrophobicContact CG2-CD2 4.07Å; T214-L228 HydrophobicContact CG2-CG 3.77Å
215G96.7Very high88.7Confident3 Ų328.5 Ų28.53%0.03115%0.149CC..SBendtrans77.2-4.2-166.500000113.9S213 I440S213-G215 VanDerWaalsContact C-N 3.26Å; S213-G215 PolarHBondContact O-N 3.34Å; S213-G215 PolarHBondContact OG-N 3.48Å; G215-I440 WeakPolarHBondContact O-CG2 3.46Å
216S98Very high90.1Very high0 Ų019.9 Ų19.90%012%0.119CC..  trans-114.8120.5169.8161.60000110T214 S218 L219 D220 F432 E445T214-S216 PolarHBondContact O-N 3.31Å; T214-S216 PolarHBondContact OG1-N 3.49Å; T214-S216 PolarHBondContact OG1-O 3.06Å; T214-S216 VanDerWaalsContact OG1-O 3.06Å; S216-S218 PolarHBondContact OG-OG 2.84Å; S216-L219 PolarHBondContact O-N 3.44Å; S216-L219 VanDerWaalsContact OG-CB 3.28Å; S216-L219 WeakPolarHBondContact OG-CB 3.27Å; S216-L219 PolarHBondContact OG-N 3.06Å; S216-L219 VanDerWaalsContact OG-N 3.11Å; S216-D220 VanDerWaalsContact O-CG 3.28Å; S216-D220 PolarHBondContact O-N 3.45Å; S216-F432 VanDerWaalsContact OG-CD1 3.29Å; S216-F432 WeakPolarHBondContact OG-CD1 3.28Å; S216-E445 VanDerWaalsContact CA-OE2 3.28Å; S216-E445 WeakPolarHBondContact CA-OE2 3.39Å; S216-E445 PolarHBondContact OG-OE1 2.78Å; S216-E445 PolarHBondContact OG-OE2 3.18Å
217L97.3Very high91.8Very high0 Ų016.6 Ų16.60%010%0.095CC..Hα-helixtrans-66.8-40.6-179.5-178.458.4000111.5L219 D220 I221 F442 E445 L446 L449 E492 V495 R496L217-L219 VanDerWaalsContact C-N 3.28Å; L217-L219 PolarHBondContact O-N 2.85Å; L217-D220 PolarHBondContact O-N 2.7Å; L217-I221 HydrophobicContact CD1-CD1 4.29Å; L217-I221 HydrophobicContact CG-CD1 4.05Å; L217-I221 WeakPolarHBondContact O-CD1 3.22Å; L217-I221 VanDerWaalsContact O-CG1 3.29Å; L217-I221 WeakPolarHBondContact O-CG1 3.47Å; L217-I221 PolarHBondContact O-N 2.76Å; L217-F442 HydrophobicContact CB-CD2 4.16Å; L217-F442 HydrophobicContact CB-CE2 3.68Å; L217-F442 HydrophobicContact CB-CZ 4.15Å; L217-F442 HydrophobicContact CD2-CZ 4.46Å; L217-E445 HydrophobicContact CB-CB 4.47Å; L217-E445 PolarHBondContact N-OE1 3.38Å; L217-E445 PolarHBondContact N-OE2 3.31Å; L217-E445 VanDerWaalsContact N-OE2 3.16Å; L217-L446 HydrophobicContact CD2-CB 4.37Å; L217-L446 HydrophobicContact CD2-CD1 3.57Å; L217-L449 HydrophobicContact CB-CD1 4.3Å; L217-L449 HydrophobicContact CD2-CD1 3.76Å; L217-L449 HydrophobicContact CG-CD1 3.76Å; L217-E492 HydrophobicContact CD1-CG 4.06Å; L217-E492 HydrophobicContact CD2-CG 4.28Å; L217-V495 HydrophobicContact CD2-CG1 4.21Å; L217-R496 HydrophobicContact CD1-CG 4.02Å
218S97.7Very high93.4Very high17 Ų1715.2 Ų15.212%0.1199%0.089CC..Hα-helixtrans-67.5-32.117969.40000111.9S216 I221 A222 A430 E445S216-S218 PolarHBondContact OG-OG 2.84Å; S218-I221 PolarHBondContact O-N 3Å; S218-A222 WeakPolarHBondContact O-CB 3.35Å; S218-A222 PolarHBondContact O-N 3.39Å; S218-A430 WeakPolarHBondContact OG-CB 3.4Å; S218-E445 WeakPolarHBondContact CB-OE1 3.24Å; S218-E445 PolarHBondContact N-OE1 3.14Å; S218-E445 PolarHBondContact OG-OE1 2.59Å
219L98.2Very high94.7Very high0 Ų011.4 Ų11.40%07%0.068CC..Hα-helixtrans-72.3-42.2174.4-175.456.5000112.2T214 S216 L217 I221 A222 L223 L247 L395 V416 V418 A430T214-L219 HydrophobicContact CG2-CD2 3.87Å; T214-L219 HydrophobicContact CG2-CG 4.04Å; S216-L219 PolarHBondContact O-N 3.44Å; S216-L219 VanDerWaalsContact OG-CB 3.28Å; S216-L219 WeakPolarHBondContact OG-CB 3.27Å; S216-L219 PolarHBondContact OG-N 3.06Å; S216-L219 VanDerWaalsContact OG-N 3.11Å; L217-L219 VanDerWaalsContact C-N 3.28Å; L217-L219 PolarHBondContact O-N 2.85Å; L219-I221 PolarHBondContact O-N 3Å; L219-A222 PolarHBondContact O-N 2.96Å; L219-A222 VanDerWaalsContact O-N 3.13Å; L219-L223 HydrophobicContact CD1-CG 4.42Å; L219-L223 HydrophobicContact CG-CD1 4.16Å; L219-L223 WeakPolarHBondContact O-CB 3.41Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 3.47Å; L219-L247 HydrophobicContact CD2-CD1 3.89Å; L219-L247 HydrophobicContact CD2-CD2 3.95Å; L219-L395 HydrophobicContact CD1-CD2 4.23Å; L219-L395 HydrophobicContact CD2-CD1 4.22Å; L219-V416 HydrophobicContact CD1-CB 4Å; L219-V416 HydrophobicContact CD1-CG1 3.67Å; L219-V416 HydrophobicContact CD2-CB 4.48Å; L219-V416 HydrophobicContact CD2-CG1 4.18Å; L219-V418 HydrophobicContact CD1-CG2 4.41Å; L219-A430 HydrophobicContact CB-CB 3.89Å; L219-A430 HydrophobicContact CD1-CB 4.1Å
220D97.2Very high95.8Very high0 Ų010.1 Ų10.10%06%0.06CC..Hα-helixtrans-56-39.9172.3-72-3.7000111.3S213 T214 S216 L217 G224 G226 R496S213-D220 WeakPolarHBondContact CB-OD2 3.28Å; S213-D220 PolarHBondContact OG-OD2 2.77Å; T214-D220 WeakPolarHBondContact CB-OD1 3.35Å; T214-D220 PolarHBondContact N-OD1 2.97Å; T214-D220 PolarHBondContact OG1-OD1 3.43Å; S216-D220 VanDerWaalsContact O-CG 3.28Å; S216-D220 PolarHBondContact O-N 3.45Å; L217-D220 PolarHBondContact O-N 2.7Å; D220-G224 PolarHBondContact O-N 3.24Å; D220-G226 VanDerWaalsContact CB-O 3.3Å; D220-G226 WeakPolarHBondContact CB-O 3.38Å; D220-G226 VanDerWaalsContact CG-O 3.23Å; D220-G226 WeakPolarHBondContact O-CA 3.41Å; D220-G226 PolarHBondContact O-N 3.3Å; D220-R496 IonicContact OD2-CZ 3.75Å; D220-R496 IonicContact OD2-NH1 3.18Å; D220-R496 PolarHBondContact OD2-NH1 2.84Å; D220-R496 IonicContact OD2-NH2 2.72Å; D220-R496 PolarHBondContact OD2-NH2 3.45Å
221I95.5Very high96Very high21 Ų216.2 Ų6.211%0.1084%0.042CC..Hα-helixtrans-68.9-44.5174.5-68.6161.1000112L217 S218 L219 L223 G224 L449 V495 L499 L500L217-I221 HydrophobicContact CD1-CD1 4.29Å; L217-I221 HydrophobicContact CG-CD1 4.05Å; L217-I221 WeakPolarHBondContact O-CD1 3.22Å; L217-I221 VanDerWaalsContact O-CG1 3.29Å; L217-I221 WeakPolarHBondContact O-CG1 3.47Å; L217-I221 PolarHBondContact O-N 2.76Å; S218-I221 PolarHBondContact O-N 3Å; L219-I221 PolarHBondContact O-N 3Å; I221-L223 PolarHBondContact O-N 2.95Å; I221-G224 WeakPolarHBondContact O-CA 3.38Å; I221-G224 PolarHBondContact O-N 3.15Å; I221-L449 HydrophobicContact CD1-CD1 3.63Å; I221-L449 HydrophobicContact CD1-CD2 4.15Å; I221-V495 HydrophobicContact CD1-CG1 3.79Å; I221-L499 HydrophobicContact CD1-CB 4.3Å; I221-L499 HydrophobicContact CD1-CD1 3.96Å; I221-L499 HydrophobicContact CG1-CB 4.28Å; I221-L499 HydrophobicContact CG2-CB 3.77Å; I221-L499 HydrophobicContact CG2-CD1 4.38Å; I221-L500 HydrophobicContact CG1-CD2 4.35Å
222A95.6Very high96.1Very high4 Ų45.9 Ų5.93%0.0334%0.037CC..Hα-helixtrans-63.2-32.2177.700000112S218 L219 G224 V418 K428 A430S218-A222 WeakPolarHBondContact O-CB 3.35Å; S218-A222 PolarHBondContact O-N 3.39Å; L219-A222 PolarHBondContact O-N 2.96Å; L219-A222 VanDerWaalsContact O-N 3.13Å; A222-G224 PolarHBondContact O-N 2.85Å; A222-V418 HydrophobicContact CB-CG2 4.18Å; A222-K428 HydrophobicContact CB-CB 3.95Å; A222-K428 WeakPolarHBondContact O-CB 3.27Å; A222-K428 WeakPolarHBondContact O-CD 3.43Å; A222-A430 HydrophobicContact CB-CB 4.15Å
223L95.8Very high96.2Very high0 Ų06.1 Ų6.10%04%0.038CC..Hα-helixtrans-68.6-20.2172.7-73.8164000112.8T214 L219 I221 A225 L228 V393 L395 V418 N421 A424T214-L223 HydrophobicContact CG2-CD1 3.61Å; L219-L223 HydrophobicContact CD1-CG 4.42Å; L219-L223 HydrophobicContact CG-CD1 4.16Å; L219-L223 WeakPolarHBondContact O-CB 3.41Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 3.47Å; I221-L223 PolarHBondContact O-N 2.95Å; L223-A225 PolarHBondContact O-N 2.54Å; L223-L228 HydrophobicContact CD1-CD2 3.8Å; L223-L228 HydrophobicContact CD2-CD2 4.27Å; L223-V393 HydrophobicContact CD2-CG1 3.53Å; L223-V393 HydrophobicContact CD2-CG2 4.21Å; L223-L395 HydrophobicContact CD2-CD2 4.22Å; L223-V418 HydrophobicContact CD2-CG1 4.24Å; L223-V418 HydrophobicContact CD2-CG2 4.16Å; L223-V418 HydrophobicContact CG-CG2 4.44Å; L223-N421 PolarHBondContact O-ND2 3.37Å; L223-A424 WeakPolarHBondContact O-CB 3.34Å
224G90.6Very high96.3Very high0 Ų05.1 Ų5.10%03%0.031CC..SBendtrans78.6-31.517200000115.5D220 I221 A222 N502D220-G224 PolarHBondContact O-N 3.24Å; I221-G224 WeakPolarHBondContact O-CA 3.38Å; I221-G224 PolarHBondContact O-N 3.15Å; A222-G224 PolarHBondContact O-N 2.85Å; G224-N502 PolarHBondContact O-N 2.96Å
225A89.6Confident96.3Very high13 Ų135.1 Ų5.111%0.1073%0.031CC..SBendtrans-95.70.7175.500000113.4T211 L223 I423T211-A225 HydrophobicContact CG2-CB 3.99Å; T211-A225 PolarHBondContact OG1-O 2.64Å; L223-A225 PolarHBondContact O-N 2.54Å; A225-I423 HydrophobicContact CB-CB 4.42Å; A225-I423 HydrophobicContact CB-CD1 3.68Å; A225-I423 HydrophobicContact CB-CG1 4.07Å
226G92.7Very high96.4Very high7 Ų75 Ų57%0.0723%0.03CC..SBendtrans93.8-0.1174.600000116.1D220 R496D220-G226 VanDerWaalsContact CB-O 3.3Å; D220-G226 WeakPolarHBondContact CB-O 3.38Å; D220-G226 VanDerWaalsContact CG-O 3.23Å; D220-G226 WeakPolarHBondContact O-CA 3.41Å; D220-G226 PolarHBondContact O-N 3.3Å; G226-R496 PolarHBondContact O-NH1 3.32Å
227G96.5Very high96.4Very high0 Ų06.1 Ų6.10%03%0.034CC..SBendtrans171.4-168.1179.400000113.6I212I212-G227 CarbonylContact O-C 3.51Å; I212-G227 WeakPolarHBondContact O-CA 3.44Å
228L97.7Very high96.4Very high0 Ų06.2 Ų6.20%04%0.035CC..EExtended strand (participates in β ladder)trans-83.3137.3175.4-59.7-179.2000110.8T211 I212 T214 L223 V234 V251 L360 I362 V393 L395T211-L228 CarbonylContact C-O 3.51Å; T211-L228 WeakPolarHBondContact CA-O 3.2Å; I212-L228 HydrophobicContact CG2-CB 4.05Å; I212-L228 PolarHBondContact N-O 2.95Å; I212-L228 PolarHBondContact O-N 3.45Å; T214-L228 HydrophobicContact CG2-CD1 4.29Å; T214-L228 HydrophobicContact CG2-CD2 4.07Å; T214-L228 HydrophobicContact CG2-CG 3.77Å; L223-L228 HydrophobicContact CD1-CD2 3.8Å; L223-L228 HydrophobicContact CD2-CD2 4.27Å; L228-V234 HydrophobicContact CB-CG2 4.39Å; L228-V234 HydrophobicContact CD1-CG1 4.38Å; L228-V234 HydrophobicContact CD2-CG1 4.05Å; L228-V234 HydrophobicContact CD2-CG2 4.26Å; L228-V251 HydrophobicContact CD1-CG1 4.25Å; L228-V251 HydrophobicContact CD1-CG2 3.96Å; L228-L360 HydrophobicContact CB-CD1 4.33Å; L228-L360 HydrophobicContact CB-CD2 3.83Å; L228-L360 HydrophobicContact CD1-CD2 4.23Å; L228-I362 HydrophobicContact CD1-CD1 3.71Å; L228-I362 HydrophobicContact CD1-CG1 4.39Å; L228-V393 HydrophobicContact CD2-CG1 4.33Å; L228-L395 HydrophobicContact CD2-CD1 4.3Å
229P96.6Very high96.3Very high0 Ų07.7 Ų7.70%04%0.044CC..EExtended strand (participates in β ladder)trans-79.3128.4-171.729.5-31000112.9V209 E210 R232 V393 I423V209-P229 HydrophobicContact CG1-CB 4.02Å; E210-P229 WeakPolarHBondContact O-CA 3.37Å; P229-R232 HydrophobicContact CB-CB 4.33Å; P229-R232 HydrophobicContact CB-CG 3.9Å; P229-R232 HydrophobicContact CG-CB 3.94Å; P229-R232 HydrophobicContact CG-CG 3.95Å; P229-R232 WeakPolarHBondContact O-CB 3.4Å; P229-V393 HydrophobicContact CG-CG2 4.13Å; P229-I423 HydrophobicContact CB-CD1 3.98Å; P229-I423 HydrophobicContact CB-CG2 3.85Å; P229-I423 HydrophobicContact CG-CD1 3.91Å; P229-I423 HydrophobicContact CG-CG2 3.95Å
230M97.2Very high96.1Very high5 Ų516.1 Ų16.13%0.0258%0.083CC..THydrogen-bonded Turntrans-64.8151.2174.5-62.6-63.3-7200111.6E210 I212 R232 K260 D311 N358 L360E210-M230 HydrophobicContact CB-CB 4.14Å; E210-M230 HydrophobicContact CB-CG 4.07Å; E210-M230 HydrophobicContact CG-CB 4.39Å; E210-M230 HydrophobicContact CG-CG 3.8Å; E210-M230 PolarHBondContact O-N 2.95Å; I212-M230 HydrophobicContact CB-SD 4.18Å; I212-M230 HydrophobicContact CG2-SD 4.4Å; M230-R232 PolarHBondContact O-N 3.33Å; M230-K260 HydrophobicContact CE-CD 4.34Å; M230-D311 HydrophobicContact CE-CB 3.99Å; M230-D311 WeakPolarHBondContact CE-O 3.47Å; M230-N358 VanDerWaalsContact CB-OD1 3.28Å; M230-N358 WeakPolarHBondContact CB-OD1 3.35Å; M230-N358 WeakPolarHBondContact CE-O 3.4Å; M230-L360 HydrophobicContact SD-CB 3.97Å
231G96Very high95.9Very high2 Ų221.2 Ų21.22%0.02112%0.119CC..THydrogen-bonded Turntrans66.220.2-177.100000115L354 N358 T359G231-L354 VanDerWaalsContact CA-O 3.24Å; G231-L354 WeakPolarHBondContact CA-O 3.33Å; G231-N358 VanDerWaalsContact N-C 3.32Å; G231-N358 PolarHBondContact N-O 3.4Å; G231-N358 VanDerWaalsContact N-O 3.14Å; G231-T359 CarbonylContact C-O 3.56Å; G231-T359 WeakPolarHBondContact CA-O 3.35Å; G231-T359 PolarHBondContact N-O 3.44Å
232R97.1Very high95.9Very high31 Ų3120.2 Ų20.212%0.11711%0.114CC..SBendtrans-131.8167.1-176.7-57.2-61.6-174.977.35.6112P229 M230 L361 S392P229-R232 HydrophobicContact CB-CB 4.33Å; P229-R232 HydrophobicContact CB-CG 3.9Å; P229-R232 HydrophobicContact CG-CB 3.94Å; P229-R232 HydrophobicContact CG-CG 3.95Å; P229-R232 WeakPolarHBondContact O-CB 3.4Å; M230-R232 PolarHBondContact O-N 3.33Å; R232-L361 PolarHBondContact O-N 3.11Å; R232-S392 WeakPolarHBondContact CD-OG 3.21Å; R232-S392 PolarHBondContact NH1-OG 3.5Å
233I98.5Very high95.9Very high5 Ų520.6 Ų20.63%0.02612%0.119CC..EExtended strand (participates in β ladder)trans-96.4136.6173.7-61.5161.4000109.4M347 A351 L354 L361 F363 L387 A391 S392I233-M347 HydrophobicContact CD1-SD 3.85Å; I233-A351 HydrophobicContact CD1-CB 4.41Å; I233-L354 HydrophobicContact CD1-CD1 4.04Å; I233-L354 HydrophobicContact CG1-CD1 3.49Å; I233-L354 VanDerWaalsContact CG1-CD1 3.49Å; I233-L361 CarbonylContact C-O 3.57Å; I233-L361 VanDerWaalsContact CA-O 3.31Å; I233-L361 WeakPolarHBondContact CA-O 3.42Å; I233-L361 HydrophobicContact CG1-CB 4.41Å; I233-L361 HydrophobicContact CG1-CD2 4.47Å; I233-F363 HydrophobicContact CG2-CD2 3.96Å; I233-F363 HydrophobicContact CG2-CE2 4.26Å; I233-L387 HydrophobicContact CG2-CD1 3.61Å; I233-A391 HydrophobicContact CG2-CB 4.49Å; I233-A391 CarbonylContact O-C 3.56Å; I233-A391 VanDerWaalsContact O-CA 3.31Å; I233-A391 WeakPolarHBondContact O-CA 3.39Å; I233-S392 PolarHBondContact O-N 3.47Å
234V98.7Very high96Very high0 Ų021.6 Ų21.60%012%0.123CC..EExtended strand (participates in β ladder)trans-124.8139.6173.7176.90000108.9L228 I236 L360 L361 I362 F363 V393L228-V234 HydrophobicContact CB-CG2 4.39Å; L228-V234 HydrophobicContact CD1-CG1 4.38Å; L228-V234 HydrophobicContact CD2-CG1 4.05Å; L228-V234 HydrophobicContact CD2-CG2 4.26Å; V234-I236 HydrophobicContact CG1-CG1 4.18Å; V234-L360 HydrophobicContact CB-CD1 4.33Å; V234-L360 HydrophobicContact CG2-CD1 3.59Å; V234-L361 PolarHBondContact N-O 2.89Å; V234-I362 HydrophobicContact CB-CG1 4.38Å; V234-I362 CarbonylContact O-C 3.47Å; V234-I362 WeakPolarHBondContact O-CA 3.24Å; V234-F363 PolarHBondContact O-N 3.14Å; V234-V393 WeakPolarHBondContact CA-O 3.43Å; V234-V393 HydrophobicContact CG1-CB 4.19Å; V234-V393 HydrophobicContact CG1-CG1 4.34Å; V234-V393 HydrophobicContact CG2-CB 4.1Å
235E98.7Very high96.3Very high0 Ų023.6 Ų23.60%014%0.135CC..EExtended strand (participates in β ladder)trans-114.9127.7171.6-175.3-176.7-168.600110.1Y237 F363 N365 T381 L387 A391 V393 R394 L395E235-Y237 HydrophobicContact CG-CD1 4.48Å; E235-F363 CarbonylContact C-O 3.57Å; E235-F363 WeakPolarHBondContact CA-O 3.49Å; E235-N365 HydrophobicContact CG-CB 4.19Å; E235-N365 PolarHBondContact OE1-ND2 2.9Å; E235-T381 WeakPolarHBondContact OE1-CB 3.48Å; E235-T381 PolarHBondContact OE1-OG1 3.16Å; E235-T381 VanDerWaalsContact OE1-OG1 3.14Å; E235-L387 HydrophobicContact CB-CD1 4.49Å; E235-L387 HydrophobicContact CB-CD2 4.15Å; E235-L387 HydrophobicContact CB-CG 4.16Å; E235-L387 VanDerWaalsContact CD-CD2 3.49Å; E235-L387 HydrophobicContact CG-CD2 3.71Å; E235-L387 HydrophobicContact CG-CG 4.17Å; E235-A391 HydrophobicContact CB-CB 4.29Å; E235-V393 PolarHBondContact N-O 3.19Å; E235-R394 HydrophobicContact CB-CG 4.25Å; E235-R394 CarbonylContact O-C 3.53Å; E235-R394 VanDerWaalsContact O-CA 3.3Å; E235-R394 WeakPolarHBondContact O-CA 3.43Å; E235-R394 IonicContact OE1-NH2 3.52Å; E235-R394 PolarHBondContact OE1-NH2 2.87Å; E235-R394 IonicContact OE2-CZ 2.78Å; E235-R394 IonicContact OE2-NE 3.48Å; E235-R394 PolarHBondContact OE2-NE 3.33Å; E235-R394 IonicContact OE2-NH2 3.66Å; E235-R394 PolarHBondContact OE2-NH2 2.84Å; E235-L395 PolarHBondContact O-N 2.81Å
236I98.6Very high96.7Very high0 Ų023.7 Ų23.70%014%0.135CC..EExtended strand (participates in β ladder)trans-115.3113.5174-51.8-173.6000107.9V234 K244 L247 T248 I362 F363 I364 N365 L395 I397V234-I236 HydrophobicContact CG1-CG1 4.18Å; I236-K244 HydrophobicContact CG2-CG 4.42Å; I236-L247 HydrophobicContact CD1-CD2 3.97Å; I236-L247 HydrophobicContact CD1-CG 4.29Å; I236-L247 HydrophobicContact CG2-CD2 4.22Å; I236-T248 HydrophobicContact CD1-CG2 3.9Å; I236-I362 HydrophobicContact CD1-CG2 3.72Å; I236-I362 HydrophobicContact CG1-CG2 3.85Å; I236-F363 PolarHBondContact N-O 3.49Å; I236-I364 CarbonylContact O-C 3.57Å; I236-I364 WeakPolarHBondContact O-CA 3.27Å; I236-N365 PolarHBondContact O-N 3.39Å; I236-L395 HydrophobicContact CD1-CD1 4.13Å; I236-L395 HydrophobicContact CG1-CB 4.28Å; I236-L395 HydrophobicContact CG1-CD1 4.07Å; I236-L395 HydrophobicContact CG1-CG 4.5Å; I236-L395 HydrophobicContact CG2-CB 4.34Å; I236-I397 HydrophobicContact CG2-CG2 3.73Å
237Y98.4Very high97Very high24 Ų2423.4 Ų23.49%0.09413%0.131CC..EExtended strand (participates in β ladder)trans-128.3157.2-178.573.8-92.8000111.8E235 N365 I367 T381 L395 D396 I397 V419E235-Y237 HydrophobicContact CG-CD1 4.48Å; Y237-N365 VanDerWaalsContact CA-O 3.29Å; Y237-N365 WeakPolarHBondContact CA-O 3.44Å; Y237-I367 HydrophobicContact CD2-CD1 4.29Å; Y237-I367 HydrophobicContact CD2-CG1 4.01Å; Y237-T381 HydrophobicContact CD1-CG2 3.95Å; Y237-T381 HydrophobicContact CD2-CG2 3.83Å; Y237-T381 HydrophobicContact CE2-CG2 4.47Å; Y237-T381 HydrophobicContact CG-CG2 3.53Å; Y237-L395 WeakPolarHBondContact CD1-O 3.18Å; Y237-L395 PolarHBondContact N-O 3.41Å; Y237-D396 HydrophobicContact CE1-CB 4.33Å; Y237-D396 HydrophobicContact CE2-CB 3.85Å; Y237-D396 WeakPolarHBondContact CE2-OD2 3.33Å; Y237-D396 WeakPolarHBondContact O-CA 3.37Å; Y237-D396 PolarHBondContact OH-OD2 3.28Å; Y237-I397 WeakPolarHBondContact O-CG2 3.49Å; Y237-I397 PolarHBondContact O-N 3.14Å; Y237-V419 HydrophobicContact CE1-CG2 3.75Å; Y237-V419 WeakPolarHBondContact OH-CG2 3.39Å
238G97.7Very high97Very high1 Ų123.4 Ų23.41%0.0113%0.131CC..EExtended strand (participates in β ladder)trans167.2171.1-174.800000113K244 I397G238-K244 PolarHBondContact O-NZ 3.04Å; G238-I397 WeakPolarHBondContact CA-O 3.42Å
239P96.3Very high97.1Very high49 Ų4923.4 Ų23.432%0.31813%0.131SC..SBendtrans-56.6166.2175.9-23.534.5000113.2S242 K244 I367 I397 R398P239-S242 WeakPolarHBondContact O-CB 3.4Å; P239-S242 PolarHBondContact O-N 3.36Å; P239-S242 PolarHBondContact O-OG 3.31Å; P239-K244 PolarHBondContact O-NZ 2.97Å; P239-I367 HydrophobicContact CG-CD1 4.24Å; P239-I397 WeakPolarHBondContact CD-O 3.42Å; P239-R398 HydrophobicContact CG-CG 4.43Å
240E94Very high97.2Very high176 Ų17624.3 Ų24.382%0.82214%0.135SC*.THydrogen-bonded Turntrans-55.3147.4164.962.2-168.3-157.800111.3S242E240-S242 PolarHBondContact O-N 3.41Å
241S93.1Very high97.2Very high107 Ų10724 Ų2475%0.74813%0.134SC*.THydrogen-bonded Turntrans53.819.6-179.4-53.20000115.7G243S241-G243 VanDerWaalsContact C-N 3.3Å; S241-G243 PolarHBondContact O-N 3.13Å
242S94.9Very high97.3Very high1 Ų124 Ų241%0.00713%0.133CC..SBendtrans-77.2-15.4178.270.20000114.1P239 E240 I397P239-S242 WeakPolarHBondContact O-CB 3.4Å; P239-S242 PolarHBondContact O-N 3.36Å; P239-S242 PolarHBondContact O-OG 3.31Å; E240-S242 PolarHBondContact O-N 3.41Å; S242-I397 VanDerWaalsContact CB-O 3.25Å; S242-I397 WeakPolarHBondContact CB-O 3.32Å; S242-I397 WeakPolarHBondContact O-CG1 3.27Å; S242-I397 PolarHBondContact OG-O 3.43Å
243G96.3Very high97.4Very high12 Ų1222.6 Ų22.612%0.12413%0.128CC..SBendtrans106.512-179.500000115.4S241 T245 T246 L247S241-G243 VanDerWaalsContact C-N 3.3Å; S241-G243 PolarHBondContact O-N 3.13Å; G243-T245 PolarHBondContact O-N 3.38Å; G243-T246 PolarHBondContact O-N 3Å; G243-T246 VanDerWaalsContact O-N 3.14Å; G243-L247 WeakPolarHBondContact O-CB 3.28Å; G243-L247 PolarHBondContact O-N 3.23Å
244K97.6Very high97.3Very high21 Ų2122.3 Ų22.39%0.09113%0.127CC..Hα-helixtrans-49.6-60.6179.9-61-175.4-60.4-77.10113.2I236 G238 P239 T246 L247 T248 I364 N365 I397I236-K244 HydrophobicContact CG2-CG 4.42Å; G238-K244 PolarHBondContact O-NZ 3.04Å; P239-K244 PolarHBondContact O-NZ 2.97Å; K244-T246 VanDerWaalsContact C-N 3.29Å; K244-T246 PolarHBondContact O-N 3.07Å; K244-L247 PolarHBondContact O-N 3.29Å; K244-T248 PolarHBondContact O-N 2.88Å; K244-T248 PolarHBondContact O-OG1 2.95Å; K244-I364 HydrophobicContact CB-CG1 4.5Å; K244-I364 HydrophobicContact CB-CG2 3.83Å; K244-I364 HydrophobicContact CD-CG2 3.82Å; K244-I364 HydrophobicContact CG-CG2 4.41Å; K244-N365 VanDerWaalsContact CD-O 3.25Å; K244-N365 WeakPolarHBondContact CD-O 3.3Å; K244-N365 WeakPolarHBondContact CE-O 3.3Å; K244-I397 HydrophobicContact CD-CG2 4.49Å; K244-I397 HydrophobicContact CG-CG2 3.55Å
245T96.6Very high97.2Very high42 Ų4222.3 Ų22.326%0.25813%0.127SC..Hα-helixtrans-62.1-35.5177.7-46.20000111.8G243 T248 L249 F264 D316G243-T245 PolarHBondContact O-N 3.38Å; T245-T248 WeakPolarHBondContact CA-OG1 3.43Å; T245-T248 PolarHBondContact O-N 3.16Å; T245-T248 PolarHBondContact O-OG1 2.96Å; T245-L249 HydrophobicContact CG2-CD1 4.02Å; T245-L249 HydrophobicContact CG2-CG 4.44Å; T245-L249 WeakPolarHBondContact O-CB 3.42Å; T245-L249 WeakPolarHBondContact O-CG 3.18Å; T245-L249 PolarHBondContact O-N 3.35Å; T245-F264 HydrophobicContact CG2-CZ 4.31Å; T245-D316 WeakPolarHBondContact CB-OD2 3.44Å; T245-D316 VanDerWaalsContact CG2-OD2 3.32Å; T245-D316 WeakPolarHBondContact CG2-OD2 3.41Å; T245-D316 PolarHBondContact OG1-OD2 2.86Å
246T97.6Very high97.2Very high15 Ų1523.7 Ų23.79%0.09213%0.134CC..Hα-helixtrans-66.2-42.4176.6-61.60000111.6G243 K244 L249 Q250 Y275 L279 I434G243-T246 PolarHBondContact O-N 3Å; G243-T246 VanDerWaalsContact O-N 3.14Å; K244-T246 VanDerWaalsContact C-N 3.29Å; K244-T246 PolarHBondContact O-N 3.07Å; T246-L249 PolarHBondContact O-N 3.34Å; T246-Q250 VanDerWaalsContact O-CG 3.24Å; T246-Q250 WeakPolarHBondContact O-CG 3.23Å; T246-Q250 PolarHBondContact O-N 2.81Å; T246-Y275 PolarHBondContact OG1-OH 2.78Å; T246-L279 HydrophobicContact CG2-CD1 3.95Å; T246-L279 HydrophobicContact CG2-CD2 4.33Å; T246-I434 HydrophobicContact CG2-CD1 4.47Å; T246-I434 HydrophobicContact CG2-CG2 3.73Å
247L98.3Very high97.1Very high1 Ų131.6 Ų31.61%0.00516%0.163CC..Hα-helixtrans-63.7-41.8176.4177.960.8000111.4L219 I236 G243 K244 Q250 V251 L395 I397 I440L219-L247 HydrophobicContact CD2-CD1 3.89Å; L219-L247 HydrophobicContact CD2-CD2 3.95Å; I236-L247 HydrophobicContact CD1-CD2 3.97Å; I236-L247 HydrophobicContact CD1-CG 4.29Å; I236-L247 HydrophobicContact CG2-CD2 4.22Å; G243-L247 WeakPolarHBondContact O-CB 3.28Å; G243-L247 PolarHBondContact O-N 3.23Å; K244-L247 PolarHBondContact O-N 3.29Å; L247-Q250 PolarHBondContact O-N 2.66Å; L247-V251 WeakPolarHBondContact O-CG2 3.48Å; L247-V251 PolarHBondContact O-N 3.46Å; L247-L395 HydrophobicContact CD2-CD1 4.35Å; L247-I397 HydrophobicContact CB-CD1 4.29Å; L247-I397 HydrophobicContact CD2-CD1 4.11Å; L247-I440 HydrophobicContact CD1-CD1 3.73Å
248T98.1Very high96.9Very high0 Ų035.5 Ų35.50%018%0.182CC..Hα-helixtrans-67.5-38.9177.655.50000112.7I236 K244 T245 Q250 V251 I252 V314 I362 I364I236-T248 HydrophobicContact CD1-CG2 3.9Å; K244-T248 PolarHBondContact O-N 2.88Å; K244-T248 PolarHBondContact O-OG1 2.95Å; T245-T248 WeakPolarHBondContact CA-OG1 3.43Å; T245-T248 PolarHBondContact O-N 3.16Å; T245-T248 PolarHBondContact O-OG1 2.96Å; T248-Q250 VanDerWaalsContact C-N 3.28Å; T248-Q250 PolarHBondContact O-N 2.86Å; T248-V251 WeakPolarHBondContact O-CB 3.47Å; T248-V251 PolarHBondContact O-N 3.22Å; T248-I252 WeakPolarHBondContact O-CG1 3.32Å; T248-I252 PolarHBondContact O-N 2.87Å; T248-V314 HydrophobicContact CG2-CG1 3.92Å; T248-I362 HydrophobicContact CG2-CG2 3.88Å; T248-I364 HydrophobicContact CG2-CD1 3.62Å; T248-I364 HydrophobicContact CG2-CG1 3.68Å
249L98.3Very high96.9Very high0 Ų038.6 Ų38.60%022%0.215CC..Hα-helixtrans-65-32.4174-68.7170000112T245 T246 I252 A253 F264 L271 Y275 A276 L279 V281T245-L249 HydrophobicContact CG2-CD1 4.02Å; T245-L249 HydrophobicContact CG2-CG 4.44Å; T245-L249 WeakPolarHBondContact O-CB 3.42Å; T245-L249 WeakPolarHBondContact O-CG 3.18Å; T245-L249 PolarHBondContact O-N 3.35Å; T246-L249 PolarHBondContact O-N 3.34Å; L249-I252 HydrophobicContact CD2-CD1 4.4Å; L249-I252 PolarHBondContact O-N 3.39Å; L249-A253 WeakPolarHBondContact O-CB 3.4Å; L249-A253 PolarHBondContact O-N 3.27Å; L249-F264 HydrophobicContact CD2-CD2 4.28Å; L249-F264 HydrophobicContact CD2-CE2 4.1Å; L249-L271 HydrophobicContact CD1-CD1 3.95Å; L249-L271 HydrophobicContact CD2-CD1 3.96Å; L249-L271 HydrophobicContact CG-CD1 4.48Å; L249-Y275 HydrophobicContact CD1-CD1 4.42Å; L249-A276 HydrophobicContact CD1-CB 4.1Å; L249-A276 HydrophobicContact CD2-CB 4.03Å; L249-L279 HydrophobicContact CB-CD1 3.68Å; L249-L279 HydrophobicContact CD1-CD1 3.82Å; L249-L279 HydrophobicContact CG-CD1 4.42Å; L249-V281 HydrophobicContact CB-CG2 4.07Å; L249-V281 HydrophobicContact CD2-CG2 4.12Å; L249-V281 WeakPolarHBondContact O-CG2 3.3Å
250Q98.3Very high97Very high18 Ų1837.8 Ų37.88%0.08421%0.206CC..Hα-helixtrans-69-38.4173.1-72.3-74.7-41.400112.5T246 L247 T248 A253 A254 L279 I440T246-Q250 VanDerWaalsContact O-CG 3.24Å; T246-Q250 WeakPolarHBondContact O-CG 3.23Å; T246-Q250 PolarHBondContact O-N 2.81Å; L247-Q250 PolarHBondContact O-N 2.66Å; T248-Q250 VanDerWaalsContact C-N 3.28Å; T248-Q250 PolarHBondContact O-N 2.86Å; Q250-A253 PolarHBondContact O-N 2.8Å; Q250-A254 WeakPolarHBondContact O-CB 3.48Å; Q250-A254 PolarHBondContact O-N 2.85Å; Q250-L279 PolarHBondContact NE2-O 3.33Å; Q250-I440 HydrophobicContact CB-CD1 4Å; Q250-I440 HydrophobicContact CG-CB 4.46Å; Q250-I440 HydrophobicContact CG-CD1 3.89Å; Q250-I440 HydrophobicContact CG-CG1 4.01Å
251V98.5Very high97.2Very high0 Ų032.2 Ų32.20%018%0.184CC..Hα-helixtrans-61.5-45.7170.7178.60000110.4I212 L228 L247 T248 A254 A255 I362I212-V251 HydrophobicContact CG2-CG1 3.99Å; L228-V251 HydrophobicContact CD1-CG1 4.25Å; L228-V251 HydrophobicContact CD1-CG2 3.96Å; L247-V251 WeakPolarHBondContact O-CG2 3.48Å; L247-V251 PolarHBondContact O-N 3.46Å; T248-V251 WeakPolarHBondContact O-CB 3.47Å; T248-V251 PolarHBondContact O-N 3.22Å; V251-A254 WeakPolarHBondContact O-CB 3.44Å; V251-A254 PolarHBondContact O-N 2.95Å; V251-A255 WeakPolarHBondContact O-CB 3.5Å; V251-A255 PolarHBondContact O-N 3.08Å; V251-I362 HydrophobicContact CB-CD1 4.31Å; V251-I362 HydrophobicContact CG1-CD1 3.89Å; V251-I362 HydrophobicContact CG2-CD1 4.4Å
252I98.6Very high97.4Very high0 Ų027.1 Ų27.10%015%0.148CC..Hα-helixtrans-59.3-48.8176.3-73.9171.3000110.6T248 L249 A254 A255 Q256 C262 F264 V281 L286 V314T248-I252 WeakPolarHBondContact O-CG1 3.32Å; T248-I252 PolarHBondContact O-N 2.87Å; L249-I252 HydrophobicContact CD2-CD1 4.4Å; L249-I252 PolarHBondContact O-N 3.39Å; I252-A254 VanDerWaalsContact C-N 3.26Å; I252-A254 PolarHBondContact O-N 2.83Å; I252-A255 PolarHBondContact O-N 2.75Å; I252-Q256 HydrophobicContact CG2-CG 4.32Å; I252-Q256 WeakPolarHBondContact O-CG 3.32Å; I252-Q256 PolarHBondContact O-N 3.03Å; I252-C262 HydrophobicContact CG1-CB 4.22Å; I252-C262 HydrophobicContact CG2-CB 3.88Å; I252-F264 HydrophobicContact CD1-CD2 3.76Å; I252-V281 HydrophobicContact CG2-CG1 3.85Å; I252-V281 HydrophobicContact CG2-CG2 4.18Å; I252-L286 HydrophobicContact CD1-CD1 4.24Å; I252-L286 HydrophobicContact CG2-CD1 4Å; I252-V314 HydrophobicContact CD1-CB 4.3Å; I252-V314 HydrophobicContact CD1-CG2 3.69Å; I252-V314 HydrophobicContact CG1-CG2 4.01Å
253A98Very high97.6Very high2 Ų227.1 Ų27.12%0.01715%0.149CC..Hα-helixtrans-60.3-37.1177.700000111.8L249 Q250 R257 V281L249-A253 WeakPolarHBondContact O-CB 3.4Å; L249-A253 PolarHBondContact O-N 3.27Å; Q250-A253 PolarHBondContact O-N 2.8Å; A253-R257 WeakPolarHBondContact O-CB 3.47Å; A253-R257 VanDerWaalsContact O-CG 3.28Å; A253-R257 WeakPolarHBondContact O-CG 3.5Å; A253-R257 PolarHBondContact O-N 2.81Å; A253-R257 VanDerWaalsContact O-N 3.13Å; A253-R257 PolarHBondContact O-NE 3.34Å; A253-V281 HydrophobicContact CB-CG2 4.11Å
254A96.6Very high97.7Very high0 Ų026.5 Ų26.50%014%0.143CC..Hα-helixtrans-65.8-44.9173.700000113Q250 V251 I252 R257 E258Q250-A254 WeakPolarHBondContact O-CB 3.48Å; Q250-A254 PolarHBondContact O-N 2.85Å; V251-A254 WeakPolarHBondContact O-CB 3.44Å; V251-A254 PolarHBondContact O-N 2.95Å; I252-A254 VanDerWaalsContact C-N 3.26Å; I252-A254 PolarHBondContact O-N 2.83Å; A254-R257 VanDerWaalsContact CB-NH2 3.33Å; A254-R257 PolarHBondContact O-N 3.42Å; A254-E258 PolarHBondContact O-N 3.13Å
255A97.9Very high97.8Very high0 Ų025.6 Ų25.60%014%0.139CC..Hα-helixtrans-62.3-48.6176.500000112.1I212 V251 I252 R257 E258 G259 K260 V312I212-A255 HydrophobicContact CD1-CB 4.26Å; I212-A255 HydrophobicContact CG1-CB 4Å; V251-A255 WeakPolarHBondContact O-CB 3.5Å; V251-A255 PolarHBondContact O-N 3.08Å; I252-A255 PolarHBondContact O-N 2.75Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.46Å; A255-E258 CarbonylContact O-C 3.56Å; A255-E258 WeakPolarHBondContact O-CA 3.27Å; A255-E258 WeakPolarHBondContact O-CB 3.34Å; A255-E258 PolarHBondContact O-N 3Å; A255-G259 PolarHBondContact O-N 3.5Å; A255-K260 HydrophobicContact CB-CB 4.01Å; A255-K260 HydrophobicContact CB-CD 4.25Å; A255-K260 VanDerWaalsContact O-CB 3.3Å; A255-K260 WeakPolarHBondContact O-CB 3.49Å; A255-K260 PolarHBondContact O-N 3.24Å; A255-V312 HydrophobicContact CB-CG2 3.92Å
256Q97.8Very high97.8Very high29 Ų2923.7 Ų23.714%0.13613%0.127CC..Hα-helixtrans-62.4-35.6179-72.1179.9-46.100112.5I252 E258 G259 C262 D282I252-Q256 HydrophobicContact CG2-CG 4.32Å; I252-Q256 WeakPolarHBondContact O-CG 3.32Å; I252-Q256 PolarHBondContact O-N 3.03Å; Q256-E258 PolarHBondContact O-N 3.48Å; Q256-G259 WeakPolarHBondContact O-CA 3.31Å; Q256-G259 PolarHBondContact O-N 3.45Å; Q256-C262 HydrophobicContact CG-CB 4.46Å; Q256-D282 PolarHBondContact NE2-O 2.92Å
257R95.9Very high97.8Very high166 Ų16623.4 Ų23.463%0.62613%0.126SC*.Hα-helixtrans-61.6-25.4172.8-80.5-178-69.2110.8-13.9113.4A253 A254 A255 G259A253-R257 WeakPolarHBondContact O-CB 3.47Å; A253-R257 VanDerWaalsContact O-CG 3.28Å; A253-R257 WeakPolarHBondContact O-CG 3.5Å; A253-R257 PolarHBondContact O-N 2.81Å; A253-R257 VanDerWaalsContact O-N 3.13Å; A253-R257 PolarHBondContact O-NE 3.34Å; A254-R257 VanDerWaalsContact CB-NH2 3.33Å; A254-R257 PolarHBondContact O-N 3.42Å; A255-R257 VanDerWaalsContact C-N 3.3Å; A255-R257 PolarHBondContact O-N 3.46Å; R257-G259 VanDerWaalsContact C-N 3.32Å
258E95.7Very high97.5Very high105 Ų10526.6 Ų26.649%0.49114%0.141SC..THydrogen-bonded Turntrans-91.69.3173.5-64.4177.5-168.700112.8I212 A254 A255 Q256 K260I212-E258 WeakPolarHBondContact CD1-OE2 3.02Å; A254-E258 PolarHBondContact O-N 3.13Å; A255-E258 CarbonylContact O-C 3.56Å; A255-E258 WeakPolarHBondContact O-CA 3.27Å; A255-E258 WeakPolarHBondContact O-CB 3.34Å; A255-E258 PolarHBondContact O-N 3Å; Q256-E258 PolarHBondContact O-N 3.48Å; E258-K260 VanDerWaalsContact C-N 3.34Å; E258-K260 IonicContact OE2-NZ 3.13Å; E258-K260 PolarHBondContact OE2-NZ 3.49Å
259G96.2Very high97.3Very high67 Ų6731.7 Ų31.769%0.69116%0.164SC*.THydrogen-bonded Turntrans78.114.5179.700000114.6A255 Q256 R257A255-G259 PolarHBondContact O-N 3.5Å; Q256-G259 WeakPolarHBondContact O-CA 3.31Å; Q256-G259 PolarHBondContact O-N 3.45Å; R257-G259 VanDerWaalsContact C-N 3.32Å
260K98Very high97.1Very high31 Ų3135.2 Ų35.214%0.13519%0.193CC..  trans-83144.2178.8-66.8-177.2170.473.60112E210 I212 M230 A255 E258 D311E210-K260 IonicContact OE1-NZ 3.87Å; I212-K260 HydrophobicContact CD1-CD 3.83Å; M230-K260 HydrophobicContact CE-CD 4.34Å; A255-K260 HydrophobicContact CB-CB 4.01Å; A255-K260 HydrophobicContact CB-CD 4.25Å; A255-K260 VanDerWaalsContact O-CB 3.3Å; A255-K260 WeakPolarHBondContact O-CB 3.49Å; A255-K260 PolarHBondContact O-N 3.24Å; E258-K260 VanDerWaalsContact C-N 3.34Å; E258-K260 IonicContact OE2-NZ 3.13Å; E258-K260 PolarHBondContact OE2-NZ 3.49Å; K260-D311 VanDerWaalsContact CA-OD2 3.25Å; K260-D311 WeakPolarHBondContact CA-OD2 3.37Å; K260-D311 HydrophobicContact CB-CB 3.71Å; K260-D311 WeakPolarHBondContact CB-OD2 3.43Å; K260-D311 HydrophobicContact CD-CB 4.03Å; K260-D311 HydrophobicContact CG-CB 4.05Å
261T98.4Very high96.8Very high59 Ų5936 Ų3636%0.36220%0.198SC..  trans-88.3130.5178.4-58.30000110.4A309 V310 D311 V312T261-A309 WeakPolarHBondContact CB-O 3.32Å; T261-V310 HydrophobicContact CG2-CG2 4.46Å; T261-D311 PolarHBondContact N-OD2 2.88Å; T261-D311 PolarHBondContact O-N 2.91Å; T261-V312 PolarHBondContact O-N 3.05Å
262C98.7Very high96.7Very high0 Ų039.7 Ų39.70%022%0.218CC..EExtended strand (participates in β ladder)trans-119.2149.2-175.7-61.60000112.1I252 Q256 L286 L287 V312I252-C262 HydrophobicContact CG1-CB 4.22Å; I252-C262 HydrophobicContact CG2-CB 3.88Å; Q256-C262 HydrophobicContact CG-CB 4.46Å; C262-L286 HydrophobicContact CB-CD1 3.76Å; C262-L287 PolarHBondContact O-N 3.4Å; C262-L287 VanDerWaalsContact O-N 3.1Å; C262-V312 CarbonylContact C-O 3.51Å; C262-V312 VanDerWaalsContact CA-O 3.27Å; C262-V312 WeakPolarHBondContact CA-O 3.16Å
263A98.7Very high96.5Very high1 Ų143 Ų431%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-128.7143.517100000111.8L287 L304 V310 V312 I313 V314A263-L287 CarbonylContact C-O 3.49Å; A263-L287 VanDerWaalsContact CA-O 3.27Å; A263-L287 WeakPolarHBondContact CA-O 3.04Å; A263-L287 HydrophobicContact CB-CB 3.92Å; A263-L287 HydrophobicContact CB-CD1 4.5Å; A263-L304 HydrophobicContact CB-CD1 3.65Å; A263-V310 HydrophobicContact CB-CG1 3.98Å; A263-V312 PolarHBondContact N-O 3.29Å; A263-I313 HydrophobicContact CB-CG1 4.35Å; A263-I313 CarbonylContact O-C 3.2Å; A263-I313 WeakPolarHBondContact O-CA 3.07Å; A263-V314 PolarHBondContact O-N 3.3Å
264F98.7Very high96.4Very high0 Ų048.3 Ų48.30%027%0.266CS..EExtended strand (participates in β ladder)trans-124.1122.2178.2-161.3-76.5000110.1T245 L249 I252 D266 L271 L286 L287 C288 S289 V314 D316T245-F264 HydrophobicContact CG2-CZ 4.31Å; L249-F264 HydrophobicContact CD2-CD2 4.28Å; L249-F264 HydrophobicContact CD2-CE2 4.1Å; I252-F264 HydrophobicContact CD1-CD2 3.76Å; F264-D266 HydrophobicContact CD1-CB 3.84Å; F264-D266 HydrophobicContact CE1-CB 3.82Å; F264-L271 HydrophobicContact CD1-CD2 3.81Å; F264-L271 HydrophobicContact CD2-CD2 4.46Å; F264-L271 HydrophobicContact CE1-CB 4.29Å; F264-L271 HydrophobicContact CE1-CD1 4.46Å; F264-L271 HydrophobicContact CE1-CD2 4.04Å; F264-L271 HydrophobicContact CE1-CG 4.5Å; F264-L271 HydrophobicContact CE2-CD1 4.44Å; F264-L271 HydrophobicContact CG-CD2 4.03Å; F264-L271 HydrophobicContact CZ-CD1 4.21Å; F264-L271 HydrophobicContact CZ-CD2 4.47Å; F264-L286 HydrophobicContact CB-CD1 4.34Å; F264-L286 HydrophobicContact CB-CD2 4.27Å; F264-L286 HydrophobicContact CB-CG 4.48Å; F264-L287 PolarHBondContact N-O 2.92Å; F264-C288 CarbonylContact O-C 3.56Å; F264-C288 WeakPolarHBondContact O-CA 3.4Å; F264-S289 PolarHBondContact O-N 3.2Å; F264-V314 HydrophobicContact CD2-CB 3.94Å; F264-V314 HydrophobicContact CD2-CG1 4.03Å; F264-V314 HydrophobicContact CE2-CB 4.22Å; F264-V314 HydrophobicContact CE2-CG1 3.77Å; F264-V314 HydrophobicContact CZ-CG1 4.37Å; F264-D316 HydrophobicContact CE1-CB 3.64Å; F264-D316 HydrophobicContact CZ-CB 3.48Å; F264-D316 VanDerWaalsContact CZ-CB 3.48Å
265I98.5Very high96.4Very high2 Ų250.8 Ų50.81%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-101.996.5175.3-46.4-57.4000107.1A267 S289 P291 A297 I300 I313 V314 V315 D316I265-A267 VanDerWaalsContact C-N 3.34Å; I265-A267 PolarHBondContact O-N 3Å; I265-A267 VanDerWaalsContact O-N 3.17Å; I265-S289 CarbonylContact C-O 3.57Å; I265-S289 WeakPolarHBondContact CA-O 3.49Å; I265-P291 HydrophobicContact CG2-CG 3.75Å; I265-A297 HydrophobicContact CG2-CB 3.96Å; I265-I300 HydrophobicContact CD1-CG2 3.75Å; I265-I313 HydrophobicContact CG1-CG2 4.17Å; I265-V314 PolarHBondContact N-O 3.33Å; I265-V315 HydrophobicContact CB-CB 4.45Å; I265-V315 HydrophobicContact CB-CG1 4.37Å; I265-V315 HydrophobicContact CB-CG2 4.17Å; I265-V315 HydrophobicContact CG1-CG2 4.12Å; I265-D316 PolarHBondContact O-N 3.42Å
266D97.7Very high96.4Very high2 Ų250.8 Ų50.81%0.01128%0.276CS..EExtended strand (participates in β ladder)trans-86.772.4-178-178.330.2000109.9F264 E268 H269 A270 L271 S289 Q290 D316F264-D266 HydrophobicContact CD1-CB 3.84Å; F264-D266 HydrophobicContact CE1-CB 3.82Å; D266-E268 VanDerWaalsContact C-N 3.28Å; D266-H269 PolarHBondContact O-N 3.48Å; D266-H269 WeakPolarHBondContact OD1-CA 3.28Å; D266-H269 PolarHBondContact OD1-N 2.82Å; D266-H269 VanDerWaalsContact OD2-CA 3.3Å; D266-H269 WeakPolarHBondContact OD2-CA 3.27Å; D266-A270 PolarHBondContact OD1-N 2.85Å; D266-A270 PolarHBondContact OD2-N 2.83Å; D266-L271 HydrophobicContact CB-CB 4.36Å; D266-L271 PolarHBondContact OD1-N 3.26Å; D266-L271 PolarHBondContact OD2-N 3.49Å; D266-S289 PolarHBondContact N-O 3.38Å; D266-Q290 HydrophobicContact CB-CG 4.01Å; D266-Q290 PolarHBondContact OD2-NE2 2.89Å; D266-D316 CarbonylContact C-O 3.59Å
267A96.2Very high96.3Very high8 Ų855.5 Ų55.57%0.06629%0.292CS..THydrogen-bonded Turntrans-71.2-22.1174.400000112.6I265 H269 P291 D316 A320 L321I265-A267 VanDerWaalsContact C-N 3.34Å; I265-A267 PolarHBondContact O-N 3Å; I265-A267 VanDerWaalsContact O-N 3.17Å; A267-H269 VanDerWaalsContact C-N 3.29Å; A267-H269 PolarHBondContact O-CD2 3.44Å; A267-P291 HydrophobicContact CB-CG 4.37Å; A267-D316 CarbonylContact C-O 3.55Å; A267-D316 WeakPolarHBondContact CA-O 3.37Å; A267-D316 PolarHBondContact N-O 3.05Å; A267-A320 HydrophobicContact CB-CB 3.92Å; A267-A320 VanDerWaalsContact O-CB 3.29Å; A267-A320 WeakPolarHBondContact O-CB 3.38Å; A267-L321 HydrophobicContact CB-CD2 4.15Å
268E92.9Very high96.4Very high69 Ų6953.9 Ų53.932%0.32229%0.29SS..THydrogen-bonded Turntrans-78.3-11.1171.7-75.4-165.6-17200113.2D266 A270 D316 S317 A320 Q366D266-E268 VanDerWaalsContact C-N 3.28Å; E268-A270 HydrophobicContact CB-CB 4.26Å; E268-A270 PolarHBondContact O-N 2.84Å; E268-D316 PolarHBondContact N-O 2.62Å; E268-S317 WeakPolarHBondContact OE1-CB 3.29Å; E268-S317 PolarHBondContact OE1-OG 3.43Å; E268-A320 HydrophobicContact CG-CB 3.98Å; E268-Q366 PolarHBondContact OE1-NE2 2.88Å
269H93.5Very high96.4Very high107 Ų10749.2 Ų49.250%0.49527%0.268SS..SBendtrans53.137.7-176.9-58.8-96.4000113.2D266 A267D266-H269 PolarHBondContact O-N 3.48Å; D266-H269 WeakPolarHBondContact OD1-CA 3.28Å; D266-H269 PolarHBondContact OD1-N 2.82Å; D266-H269 VanDerWaalsContact OD2-CA 3.3Å; D266-H269 WeakPolarHBondContact OD2-CA 3.27Å; A267-H269 VanDerWaalsContact C-N 3.29Å; A267-H269 PolarHBondContact O-CD2 3.44Å
270A93.8Very high96.3Very high73 Ų7348.3 Ų48.360%0.60326%0.259SS*.  trans-130.67.1-168.600000113.9D266 E268 D272D266-A270 PolarHBondContact OD1-N 2.85Å; D266-A270 PolarHBondContact OD2-N 2.83Å; E268-A270 HydrophobicContact CB-CB 4.26Å; E268-A270 PolarHBondContact O-N 2.84Å; A270-D272 PolarHBondContact O-N 3.39Å
271L93.1Very high96.3Very high34 Ų3447 Ų4718%0.17825%0.253CS..  trans-69.8121.2178.4-179.663.5000111.5L249 F264 D266 P273 A276L249-L271 HydrophobicContact CD1-CD1 3.95Å; L249-L271 HydrophobicContact CD2-CD1 3.96Å; L249-L271 HydrophobicContact CG-CD1 4.48Å; F264-L271 HydrophobicContact CD1-CD2 3.81Å; F264-L271 HydrophobicContact CD2-CD2 4.46Å; F264-L271 HydrophobicContact CE1-CB 4.29Å; F264-L271 HydrophobicContact CE1-CD1 4.46Å; F264-L271 HydrophobicContact CE1-CD2 4.04Å; F264-L271 HydrophobicContact CE1-CG 4.5Å; F264-L271 HydrophobicContact CE2-CD1 4.44Å; F264-L271 HydrophobicContact CG-CD2 4.03Å; F264-L271 HydrophobicContact CZ-CD1 4.21Å; F264-L271 HydrophobicContact CZ-CD2 4.47Å; D266-L271 HydrophobicContact CB-CB 4.36Å; D266-L271 PolarHBondContact OD1-N 3.26Å; D266-L271 PolarHBondContact OD2-N 3.49Å; L271-P273 WeakPolarHBondContact O-CD 3.48Å; L271-A276 HydrophobicContact CD1-CB 4.5Å
272D95.1Very high96.3Very high78 Ų7847.1 Ų47.142%0.41725%0.252SS..  trans-89.9110.5171.4176.6-2.3000110.8A270 I274 Y275 A276A270-D272 PolarHBondContact O-N 3.39Å; D272-I274 VanDerWaalsContact C-N 3.3Å; D272-I274 PolarHBondContact O-N 3.3Å; D272-I274 WeakPolarHBondContact OD1-CA 3.44Å; D272-I274 WeakPolarHBondContact OD1-CB 3.31Å; D272-I274 PolarHBondContact OD1-N 3.16Å; D272-Y275 PolarHBondContact O-N 2.97Å; D272-Y275 PolarHBondContact OD1-N 3.44Å; D272-Y275 WeakPolarHBondContact OD2-CB 3.47Å; D272-A276 PolarHBondContact O-N 2.66Å
273P95.2Very high96.2Very high70 Ų7048.9 Ų48.946%0.45526%0.261SS..Hα-helixtrans-66.9-27.8179.927.1-34.7000113.3L271 R277 I283L271-P273 WeakPolarHBondContact O-CD 3.48Å; P273-R277 WeakPolarHBondContact O-CB 3.18Å; P273-R277 PolarHBondContact O-N 2.9Å; P273-I283 HydrophobicContact CB-CG2 4.38Å; P273-I283 WeakPolarHBondContact O-CD1 3.37Å
274I96.3Very high96.1Very high113 Ų11354.8 Ų54.858%0.57929%0.292SS*.Hα-helixtrans-70.7-43.8176.6-59.9172.7000109.2D272 R277 K278D272-I274 VanDerWaalsContact C-N 3.3Å; D272-I274 PolarHBondContact O-N 3.3Å; D272-I274 WeakPolarHBondContact OD1-CA 3.44Å; D272-I274 WeakPolarHBondContact OD1-CB 3.31Å; D272-I274 PolarHBondContact OD1-N 3.16Å; I274-R277 PolarHBondContact O-N 3.02Å; I274-K278 WeakPolarHBondContact O-CG 3.41Å; I274-K278 PolarHBondContact O-N 2.88Å
275Y96.5Very high96Very high53 Ų5360 Ų6021%0.20832%0.32CS..Hα-helixtrans-63.3-47.6174.6-176.7-111.5000111.5T246 L249 D272 R277 K278 L279T246-Y275 PolarHBondContact OG1-OH 2.78Å; L249-Y275 HydrophobicContact CD1-CD1 4.42Å; D272-Y275 PolarHBondContact O-N 2.97Å; D272-Y275 PolarHBondContact OD1-N 3.44Å; D272-Y275 WeakPolarHBondContact OD2-CB 3.47Å; Y275-R277 VanDerWaalsContact C-N 3.28Å; Y275-R277 PolarHBondContact O-N 3.2Å; Y275-K278 WeakPolarHBondContact O-CB 3.5Å; Y275-K278 PolarHBondContact O-N 2.7Å; Y275-L279 HydrophobicContact CD1-CD1 3.98Å; Y275-L279 HydrophobicContact CD1-CG 4.36Å; Y275-L279 HydrophobicContact CE1-CD1 3.52Å; Y275-L279 HydrophobicContact CE1-CD2 4.34Å; Y275-L279 HydrophobicContact CE1-CG 4.08Å; Y275-L279 HydrophobicContact CE2-CD2 4.24Å; Y275-L279 WeakPolarHBondContact O-CG 3.28Å; Y275-L279 PolarHBondContact O-N 3.48Å; Y275-L279 VanDerWaalsContact O-N 3.09Å
276A97.1Very high96Very high0 Ų060.8 Ų60.80%032%0.324CS..Hα-helixtrans-55.9-42.1176.800000112.2L249 L271 D272 K278 L279 G280 V281 I283L249-A276 HydrophobicContact CD1-CB 4.1Å; L249-A276 HydrophobicContact CD2-CB 4.03Å; L271-A276 HydrophobicContact CD1-CB 4.5Å; D272-A276 PolarHBondContact O-N 2.66Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-K278 PolarHBondContact O-N 3.43Å; A276-L279 WeakPolarHBondContact O-CB 3.48Å; A276-L279 PolarHBondContact O-N 2.97Å; A276-L279 VanDerWaalsContact O-N 3.1Å; A276-G280 PolarHBondContact O-N 3.41Å; A276-V281 HydrophobicContact CB-CB 4.26Å; A276-V281 HydrophobicContact CB-CG2 4.36Å; A276-V281 VanDerWaalsContact O-CB 3.3Å; A276-V281 WeakPolarHBondContact O-CB 3.39Å; A276-V281 WeakPolarHBondContact O-CG2 3.16Å; A276-V281 PolarHBondContact O-N 3.31Å; A276-V281 VanDerWaalsContact O-N 3.16Å; A276-I283 HydrophobicContact CB-CD1 3.55Å
277R97.3Very high96Very high127 Ų12764.8 Ų64.848%0.47935%0.345SS..Hα-helixtrans-61-41.7175.6-167.6179.1-62.8-87.74112.2P273 I274 Y275 L279 G280 I283 D284P273-R277 WeakPolarHBondContact O-CB 3.18Å; P273-R277 PolarHBondContact O-N 2.9Å; I274-R277 PolarHBondContact O-N 3.02Å; Y275-R277 VanDerWaalsContact C-N 3.28Å; Y275-R277 PolarHBondContact O-N 3.2Å; R277-L279 PolarHBondContact O-N 2.84Å; R277-G280 PolarHBondContact O-N 3.32Å; R277-I283 HydrophobicContact CB-CD1 4.35Å; R277-I283 HydrophobicContact CB-CG1 3.79Å; R277-I283 HydrophobicContact CG-CG1 4.28Å; R277-D284 IonicContact NH2-OD1 2.76Å; R277-D284 PolarHBondContact NH2-OD1 2.83Å
278K96.6Very high96.1Very high132 Ų13268.1 Ų68.157%0.57437%0.367SS*.Hα-helixtrans-63.4-29.1176.3-73.6177.7179.8177.30112.9I274 Y275 A276 G280 G437I274-K278 WeakPolarHBondContact O-CG 3.41Å; I274-K278 PolarHBondContact O-N 2.88Å; Y275-K278 WeakPolarHBondContact O-CB 3.5Å; Y275-K278 PolarHBondContact O-N 2.7Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-K278 PolarHBondContact O-N 3.43Å; K278-G280 PolarHBondContact O-N 2.87Å; K278-G437 WeakPolarHBondContact CB-O 3.35Å
279L95.9Very high96.3Very high8 Ų866.2 Ų66.24%0.04236%0.362CS..THydrogen-bonded Turntrans-77.2-1.2173.7-60.4-172.4000113.6T246 L249 Q250 Y275 A276 R277T246-L279 HydrophobicContact CG2-CD1 3.95Å; T246-L279 HydrophobicContact CG2-CD2 4.33Å; L249-L279 HydrophobicContact CB-CD1 3.68Å; L249-L279 HydrophobicContact CD1-CD1 3.82Å; L249-L279 HydrophobicContact CG-CD1 4.42Å; Q250-L279 PolarHBondContact NE2-O 3.33Å; Y275-L279 HydrophobicContact CD1-CD1 3.98Å; Y275-L279 HydrophobicContact CD1-CG 4.36Å; Y275-L279 HydrophobicContact CE1-CD1 3.52Å; Y275-L279 HydrophobicContact CE1-CD2 4.34Å; Y275-L279 HydrophobicContact CE1-CG 4.08Å; Y275-L279 HydrophobicContact CE2-CD2 4.24Å; Y275-L279 WeakPolarHBondContact O-CG 3.28Å; Y275-L279 PolarHBondContact O-N 3.48Å; Y275-L279 VanDerWaalsContact O-N 3.09Å; A276-L279 WeakPolarHBondContact O-CB 3.48Å; A276-L279 PolarHBondContact O-N 2.97Å; A276-L279 VanDerWaalsContact O-N 3.1Å; R277-L279 PolarHBondContact O-N 2.84Å
280G94.5Very high96.5Very high47 Ų4766.4 Ų66.449%0.48536%0.363SS..THydrogen-bonded Turntrans89.412.8179.700000114.6A276 R277 K278A276-G280 PolarHBondContact O-N 3.41Å; R277-G280 PolarHBondContact O-N 3.32Å; K278-G280 PolarHBondContact O-N 2.87Å
281V97.8Very high96.7Very high4 Ų463.2 Ų63.22%0.02434%0.336CS..  trans-73.8132.1173.4179.10000109.7L249 I252 A253 A276 I283 L286L249-V281 HydrophobicContact CB-CG2 4.07Å; L249-V281 HydrophobicContact CD2-CG2 4.12Å; L249-V281 WeakPolarHBondContact O-CG2 3.3Å; I252-V281 HydrophobicContact CG2-CG1 3.85Å; I252-V281 HydrophobicContact CG2-CG2 4.18Å; A253-V281 HydrophobicContact CB-CG2 4.11Å; A276-V281 HydrophobicContact CB-CB 4.26Å; A276-V281 HydrophobicContact CB-CG2 4.36Å; A276-V281 VanDerWaalsContact O-CB 3.3Å; A276-V281 WeakPolarHBondContact O-CB 3.39Å; A276-V281 WeakPolarHBondContact O-CG2 3.16Å; A276-V281 PolarHBondContact O-N 3.31Å; A276-V281 VanDerWaalsContact O-N 3.16Å; V281-I283 HydrophobicContact CB-CD1 4.16Å; V281-I283 HydrophobicContact CG1-CD1 3.93Å; V281-I283 PolarHBondContact O-N 3.35Å; V281-I283 VanDerWaalsContact O-N 3.13Å; V281-L286 HydrophobicContact CG1-CB 4.39Å; V281-L286 HydrophobicContact CG1-CD2 3.89Å
282D97.6Very high96.8Very high62 Ų6267.3 Ų67.333%0.33236%0.358SS..  trans-77.793.9168.3-176.1-2.3000109.2Q256 D284 N285 L286Q256-D282 PolarHBondContact NE2-O 2.92Å; D282-D284 PolarHBondContact O-N 3.23Å; D282-D284 PolarHBondContact OD1-N 2.8Å; D282-N285 PolarHBondContact O-N 3.19Å; D282-N285 PolarHBondContact OD1-N 2.71Å; D282-N285 PolarHBondContact OD2-ND2 2.67Å; D282-L286 WeakPolarHBondContact O-CB 3.46Å; D282-L286 PolarHBondContact O-N 2.9Å; D282-L286 VanDerWaalsContact O-N 3.09Å
283I97.1Very high96.9Very high37 Ų3765 Ų6519%0.1935%0.346CS..G310 helixtrans-63-31.9-177.5-55.6-58.2000111.9P273 A276 R277 V281 N285 L286P273-I283 HydrophobicContact CB-CG2 4.38Å; P273-I283 WeakPolarHBondContact O-CD1 3.37Å; A276-I283 HydrophobicContact CB-CD1 3.55Å; R277-I283 HydrophobicContact CB-CD1 4.35Å; R277-I283 HydrophobicContact CB-CG1 3.79Å; R277-I283 HydrophobicContact CG-CG1 4.28Å; V281-I283 HydrophobicContact CB-CD1 4.16Å; V281-I283 HydrophobicContact CG1-CD1 3.93Å; V281-I283 PolarHBondContact O-N 3.35Å; V281-I283 VanDerWaalsContact O-N 3.13Å; I283-N285 VanDerWaalsContact C-N 3.26Å; I283-N285 PolarHBondContact O-N 2.83Å; I283-L286 PolarHBondContact O-N 3.06Å
284D96.6Very high97Very high125 Ų12561.6 Ų61.667%0.66832%0.324SS*.G310 helixtrans-76.3-22.8-173.2-54.9-26.4000110.7R277 D282R277-D284 IonicContact NH2-OD1 2.76Å; R277-D284 PolarHBondContact NH2-OD1 2.83Å; D282-D284 PolarHBondContact O-N 3.23Å; D282-D284 PolarHBondContact OD1-N 2.8Å
285N97.2Very high97.1Very high108 Ų10859.4 Ų59.458%0.57831%0.312SS*.G310 helixtrans-109.15.6176.2-69-56.4000114.2D282 I283D282-N285 PolarHBondContact O-N 3.19Å; D282-N285 PolarHBondContact OD1-N 2.71Å; D282-N285 PolarHBondContact OD2-ND2 2.67Å; I283-N285 VanDerWaalsContact C-N 3.26Å; I283-N285 PolarHBondContact O-N 2.83Å
286L98.3Very high97.2Very high20 Ų2060.4 Ų60.411%0.10532%0.318CS..EExtended strand (participates in β ladder)trans-86.4116174.4179.864.8000110I252 C262 F264 V281 D282 I283 C288I252-L286 HydrophobicContact CD1-CD1 4.24Å; I252-L286 HydrophobicContact CG2-CD1 4Å; C262-L286 HydrophobicContact CB-CD1 3.76Å; F264-L286 HydrophobicContact CB-CD1 4.34Å; F264-L286 HydrophobicContact CB-CD2 4.27Å; F264-L286 HydrophobicContact CB-CG 4.48Å; V281-L286 HydrophobicContact CG1-CB 4.39Å; V281-L286 HydrophobicContact CG1-CD2 3.89Å; D282-L286 WeakPolarHBondContact O-CB 3.46Å; D282-L286 PolarHBondContact O-N 2.9Å; D282-L286 VanDerWaalsContact O-N 3.09Å; I283-L286 PolarHBondContact O-N 3.06Å; L286-C288 PolarHBondContact O-N 3.28Å
287L98.2Very high97.2Very high86 Ų8660.4 Ų60.445%0.4532%0.319SS..EExtended strand (participates in β ladder)trans-68.5129.6170.1-60.9176000108.9C262 A263 F264 V310C262-L287 PolarHBondContact O-N 3.4Å; C262-L287 VanDerWaalsContact O-N 3.1Å; A263-L287 CarbonylContact C-O 3.49Å; A263-L287 VanDerWaalsContact CA-O 3.27Å; A263-L287 WeakPolarHBondContact CA-O 3.04Å; A263-L287 HydrophobicContact CB-CB 3.92Å; A263-L287 HydrophobicContact CB-CD1 4.5Å; F264-L287 PolarHBondContact N-O 2.92Å; L287-V310 HydrophobicContact CD1-CG2 4.03Å
288C97.7Very high97.3Very high78 Ų7854.9 Ų54.953%0.52730%0.298SS..EExtended strand (participates in β ladder)trans-128.1137.5179.5-170.20000110.4F264 L286F264-C288 CarbonylContact O-C 3.56Å; F264-C288 WeakPolarHBondContact O-CA 3.4Å; L286-C288 PolarHBondContact O-N 3.28Å
289S97.5Very high97.3Very high29 Ų2953 Ų5320%0.20329%0.292CS..EExtended strand (participates in β ladder)trans-133.4134.6174.6-179.40000110F264 I265 D266 P291 I300F264-S289 PolarHBondContact O-N 3.2Å; I265-S289 CarbonylContact C-O 3.57Å; I265-S289 WeakPolarHBondContact CA-O 3.49Å; D266-S289 PolarHBondContact N-O 3.38Å; S289-P291 WeakPolarHBondContact O-CD 3.35Å; S289-I300 WeakPolarHBondContact OG-CD1 3.39Å
290Q97.4Very high97.4Very high111 Ų11154.9 Ų54.952%0.51930%0.301SS..  trans-113.288.4171.2-78-176.8-21.500107.4D266D266-Q290 HydrophobicContact CB-CG 4.01Å; D266-Q290 PolarHBondContact OD2-NE2 2.89Å
291P97Very high97.6Very high6 Ų652.6 Ų52.64%0.03928%0.278CS..  trans-75.3148.7-172.631.4-35.5000112I265 A267 S289 Q296 A297I265-P291 HydrophobicContact CG2-CG 3.75Å; A267-P291 HydrophobicContact CB-CG 4.37Å; S289-P291 WeakPolarHBondContact O-CD 3.35Å; P291-Q296 VanDerWaalsContact CB-OE1 3.29Å; P291-A297 HydrophobicContact CB-CB 3.83Å; P291-A297 HydrophobicContact CG-CB 3.55Å
292D96.7Very high97.6Very high120 Ų12052.6 Ų52.664%0.64228%0.278SS*.SBendtrans-75.3-32.9176-54-59.5000112.2Q296 I327D292-Q296 PolarHBondContact OD2-NE2 3.5Å; D292-I327 WeakPolarHBondContact O-CD1 3.28Å
293T97.4Very high97.7Very high28 Ų2851.8 Ų51.817%0.17228%0.28CS..SBendtrans-137.8160.2-177.9930000112.7E295 Q296 A297 K324 I327T293-E295 PolarHBondContact O-N 3.48Å; T293-E295 PolarHBondContact OG1-N 3.19Å; T293-E295 PolarHBondContact OG1-OE2 2.87Å; T293-Q296 PolarHBondContact O-N 2.81Å; T293-Q296 PolarHBondContact OG1-N 3.3Å; T293-A297 PolarHBondContact O-N 3.13Å; T293-K324 HydrophobicContact CG2-CB 4.08Å; T293-K324 HydrophobicContact CG2-CG 4.3Å; T293-I327 HydrophobicContact CG2-CD1 4.05Å
294G97.1Very high97.7Very high0 Ų051.9 Ų51.90%028%0.28CS..Hα-helixtrans-60.6-39.5174.800000113.5A297 L298 T322G294-A297 WeakPolarHBondContact O-CB 3.33Å; G294-A297 PolarHBondContact O-N 3.33Å; G294-L298 WeakPolarHBondContact O-CD1 3.42Å; G294-L298 VanDerWaalsContact O-CG 3.29Å; G294-L298 WeakPolarHBondContact O-CG 3.47Å; G294-L298 PolarHBondContact O-N 3.1Å; G294-L298 VanDerWaalsContact O-N 3.09Å; G294-T322 PolarHBondContact N-O 3.09Å
295E97.4Very high97.8Very high66 Ų6645.9 Ų45.931%0.30825%0.249SC..Hα-helixtrans-65.1-42.6175.6-60.286.3165.200111.5T293 L298 E299 K324 M342T293-E295 PolarHBondContact O-N 3.48Å; T293-E295 PolarHBondContact OG1-N 3.19Å; T293-E295 PolarHBondContact OG1-OE2 2.87Å; E295-L298 PolarHBondContact O-N 3.41Å; E295-E299 WeakPolarHBondContact O-CB 3.41Å; E295-E299 WeakPolarHBondContact O-CG 3.38Å; E295-E299 PolarHBondContact O-N 3.14Å; E295-K324 PolarHBondContact OE1-N 2.76Å; E295-K324 VanDerWaalsContact OE1-N 3.1Å; E295-K324 PolarHBondContact OE2-N 3.07Å; E295-M342 HydrophobicContact CG-CG 4.3Å; E295-M342 HydrophobicContact CG-SD 3.8Å
296Q97.9Very high97.8Very high74 Ų7447.2 Ų47.235%0.34625%0.245SC..Hα-helixtrans-61.6-45.7177.2-169.9-164.754.400110.6P291 D292 T293 L298 E299 I300P291-Q296 VanDerWaalsContact CB-OE1 3.29Å; D292-Q296 PolarHBondContact OD2-NE2 3.5Å; T293-Q296 PolarHBondContact O-N 2.81Å; T293-Q296 PolarHBondContact OG1-N 3.3Å; Q296-L298 VanDerWaalsContact C-N 3.33Å; Q296-L298 PolarHBondContact O-N 2.9Å; Q296-E299 PolarHBondContact O-N 2.77Å; Q296-I300 HydrophobicContact CG-CD1 4.21Å; Q296-I300 VanDerWaalsContact O-CG1 3.27Å; Q296-I300 WeakPolarHBondContact O-CG1 3.41Å; Q296-I300 PolarHBondContact O-N 2.9Å
297A98.3Very high97.7Very high1 Ų149.6 Ų49.61%0.00826%0.264CS..Hα-helixtrans-55.7-45.8176.300000112.5I265 P291 T293 G294 I300 C301 L321I265-A297 HydrophobicContact CG2-CB 3.96Å; P291-A297 HydrophobicContact CB-CB 3.83Å; P291-A297 HydrophobicContact CG-CB 3.55Å; T293-A297 PolarHBondContact O-N 3.13Å; G294-A297 WeakPolarHBondContact O-CB 3.33Å; G294-A297 PolarHBondContact O-N 3.33Å; A297-I300 PolarHBondContact O-N 3.34Å; A297-C301 PolarHBondContact O-N 2.93Å; A297-C301 PolarHBondContact O-SG 2.97Å; A297-L321 HydrophobicContact CB-CD2 3.5Å
298L98.2Very high97.5Very high10 Ų1047.6 Ų47.65%0.05226%0.264CS..Hα-helixtrans-75.2-34.2-177.4-66.8164.5000112.4G294 E295 Q296 C301 D302 L321 M342 M343 A346 L350 F363G294-L298 WeakPolarHBondContact O-CD1 3.42Å; G294-L298 VanDerWaalsContact O-CG 3.29Å; G294-L298 WeakPolarHBondContact O-CG 3.47Å; G294-L298 PolarHBondContact O-N 3.1Å; G294-L298 VanDerWaalsContact O-N 3.09Å; E295-L298 PolarHBondContact O-N 3.41Å; Q296-L298 VanDerWaalsContact C-N 3.33Å; Q296-L298 PolarHBondContact O-N 2.9Å; L298-C301 WeakPolarHBondContact O-CB 3.25Å; L298-C301 PolarHBondContact O-N 2.82Å; L298-D302 WeakPolarHBondContact O-CB 3.37Å; L298-D302 PolarHBondContact O-N 3.44Å; L298-L321 HydrophobicContact CD1-CD1 4.41Å; L298-L321 HydrophobicContact CD2-CD1 4.19Å; L298-L321 HydrophobicContact CG-CD1 4.37Å; L298-M342 HydrophobicContact CD1-CE 3.88Å; L298-M342 HydrophobicContact CD1-CG 3.89Å; L298-M342 HydrophobicContact CD1-SD 4.03Å; L298-M343 HydrophobicContact CD1-SD 4.1Å; L298-M343 HydrophobicContact CD2-SD 4.4Å; L298-A346 HydrophobicContact CB-CB 4.11Å; L298-A346 HydrophobicContact CD1-CB 3.67Å; L298-A346 HydrophobicContact CD2-CB 3.96Å; L298-A346 HydrophobicContact CG-CB 4.12Å; L298-L350 HydrophobicContact CD2-CD1 4.25Å; L298-F363 HydrophobicContact CD2-CE1 4.06Å; L298-F363 HydrophobicContact CD2-CZ 3.93Å
299E98Very high97.5Very high93 Ų9347 Ų4744%0.43526%0.264SS..Hα-helixtrans-66.9-35.7171.1-77.9-64.314600112E295 Q296 D302 A303 K349E295-E299 WeakPolarHBondContact O-CB 3.41Å; E295-E299 WeakPolarHBondContact O-CG 3.38Å; E295-E299 PolarHBondContact O-N 3.14Å; Q296-E299 PolarHBondContact O-N 2.77Å; E299-D302 PolarHBondContact O-N 2.84Å; E299-A303 WeakPolarHBondContact O-CB 3.34Å; E299-A303 PolarHBondContact O-N 3.49Å; E299-K349 IonicContact OE1-NZ 3.77Å; E299-K349 PolarHBondContact OE1-NZ 2.77Å; E299-K349 IonicContact OE2-NZ 3.52Å
300I98.3Very high97.5Very high47 Ų4745.8 Ų45.824%0.24126%0.256CS..Hα-helixtrans-61.7-48.5170.9-69.6167.1000109.9I265 S289 Q296 A297 D302 A303 L304I265-I300 HydrophobicContact CD1-CG2 3.75Å; S289-I300 WeakPolarHBondContact OG-CD1 3.39Å; Q296-I300 HydrophobicContact CG-CD1 4.21Å; Q296-I300 VanDerWaalsContact O-CG1 3.27Å; Q296-I300 WeakPolarHBondContact O-CG1 3.41Å; Q296-I300 PolarHBondContact O-N 2.9Å; A297-I300 PolarHBondContact O-N 3.34Å; I300-D302 VanDerWaalsContact C-N 3.25Å; I300-D302 PolarHBondContact O-N 3.25Å; I300-A303 PolarHBondContact O-N 3.19Å; I300-L304 HydrophobicContact CG2-CD1 3.95Å; I300-L304 HydrophobicContact CG2-CG 4.26Å; I300-L304 WeakPolarHBondContact O-CB 3.29Å; I300-L304 VanDerWaalsContact O-CG 3.28Å; I300-L304 WeakPolarHBondContact O-CG 3.47Å; I300-L304 PolarHBondContact O-N 3.02Å
301C98.5Very high97.6Very high0 Ų042.8 Ų42.80%024%0.243CC..Hα-helixtrans-55.5-43.2175.5-65.70000111.8A297 L298 L304 A305 L350A297-C301 PolarHBondContact O-N 2.93Å; A297-C301 PolarHBondContact O-SG 2.97Å; L298-C301 WeakPolarHBondContact O-CB 3.25Å; L298-C301 PolarHBondContact O-N 2.82Å; C301-L304 PolarHBondContact O-N 3.17Å; C301-A305 WeakPolarHBondContact O-CB 3.24Å; C301-A305 PolarHBondContact O-N 2.96Å; C301-L350 HydrophobicContact CB-CD2 3.9Å
302D98.2Very high97.7Very high3 Ų342.5 Ų42.52%0.01624%0.242CC..Hα-helixtrans-68.3-40.1-178.7-16630000111.8L298 E299 I300 R306 K349 L350 N353L298-D302 WeakPolarHBondContact O-CB 3.37Å; L298-D302 PolarHBondContact O-N 3.44Å; E299-D302 PolarHBondContact O-N 2.84Å; I300-D302 VanDerWaalsContact C-N 3.25Å; I300-D302 PolarHBondContact O-N 3.25Å; D302-R306 WeakPolarHBondContact O-CB 3.33Å; D302-R306 WeakPolarHBondContact O-CG 3.35Å; D302-R306 PolarHBondContact O-N 3.43Å; D302-R306 PolarHBondContact O-NH1 3.42Å; D302-R306 IonicContact OD1-NH1 2.67Å; D302-R306 PolarHBondContact OD1-NH1 3.27Å; D302-R306 IonicContact OD2-CZ 3.29Å; D302-R306 IonicContact OD2-NH1 3.66Å; D302-R306 PolarHBondContact OD2-NH1 3.5Å; D302-K349 WeakPolarHBondContact OD2-CE 3.3Å; D302-K349 IonicContact OD2-NZ 2.63Å; D302-K349 PolarHBondContact OD2-NZ 2.82Å; D302-K349 VanDerWaalsContact OD2-NZ 3.13Å; D302-L350 HydrophobicContact CB-CD2 3.93Å; D302-N353 PolarHBondContact OD1-ND2 3.14Å
303A98.2Very high97.8Very high46 Ų4636.8 Ų36.838%0.3821%0.211SC..Hα-helixtrans-66.1-43.4174.400000112.6E299 I300 R306 S307E299-A303 WeakPolarHBondContact O-CB 3.34Å; E299-A303 PolarHBondContact O-N 3.49Å; I300-A303 PolarHBondContact O-N 3.19Å; A303-R306 PolarHBondContact O-N 3.03Å; A303-S307 PolarHBondContact O-N 3.21Å; A303-S307 VanDerWaalsContact O-N 3.08Å
304L98.3Very high97.8Very high38 Ų3835.4 Ų35.420%0.19920%0.203CC..Hα-helixtrans-63.1-45.7175.9-67.9178.3000110.9A263 I300 C301 S307 V310 I313A263-L304 HydrophobicContact CB-CD1 3.65Å; I300-L304 HydrophobicContact CG2-CD1 3.95Å; I300-L304 HydrophobicContact CG2-CG 4.26Å; I300-L304 WeakPolarHBondContact O-CB 3.29Å; I300-L304 VanDerWaalsContact O-CG 3.28Å; I300-L304 WeakPolarHBondContact O-CG 3.47Å; I300-L304 PolarHBondContact O-N 3.02Å; C301-L304 PolarHBondContact O-N 3.17Å; L304-S307 WeakPolarHBondContact O-CB 3.44Å; L304-S307 PolarHBondContact O-N 2.99Å; L304-S307 PolarHBondContact O-OG 3.29Å; L304-V310 HydrophobicContact CB-CG2 4.23Å; L304-V310 HydrophobicContact CD2-CG2 3.97Å; L304-V310 HydrophobicContact CG-CG2 4.5Å; L304-I313 HydrophobicContact CB-CD1 3.68Å; L304-I313 HydrophobicContact CB-CG1 4.5Å; L304-I313 HydrophobicContact CD1-CD1 4.31Å; L304-I313 HydrophobicContact CD1-CG1 4.47Å
305A97.7Very high97.9Very high0 Ų035.4 Ų35.40%020%0.203CC..Hα-helixtrans-60.1-49.4176.500000111.6C301 S307 G308 N353 L354 S357C301-A305 WeakPolarHBondContact O-CB 3.24Å; C301-A305 PolarHBondContact O-N 2.96Å; A305-S307 PolarHBondContact O-N 3.27Å; A305-G308 PolarHBondContact O-N 3.01Å; A305-G308 VanDerWaalsContact O-N 3.13Å; A305-N353 HydrophobicContact CB-CB 4.13Å; A305-L354 HydrophobicContact CB-CD2 3.8Å; A305-L354 HydrophobicContact CB-CG 4.34Å; A305-S357 WeakPolarHBondContact O-CB 3.16Å; A305-S357 PolarHBondContact O-OG 3.42Å
306R97Very high97.9Very high135 Ų13532.6 Ų32.651%0.50919%0.19SC..Hα-helixtrans-60.3-28.3177.7-76.8-166.6-54.6-87.81114D302 A303 G308 N353D302-R306 WeakPolarHBondContact O-CB 3.33Å; D302-R306 WeakPolarHBondContact O-CG 3.35Å; D302-R306 PolarHBondContact O-N 3.43Å; D302-R306 PolarHBondContact O-NH1 3.42Å; D302-R306 IonicContact OD1-NH1 2.67Å; D302-R306 PolarHBondContact OD1-NH1 3.27Å; D302-R306 IonicContact OD2-CZ 3.29Å; D302-R306 IonicContact OD2-NH1 3.66Å; D302-R306 PolarHBondContact OD2-NH1 3.5Å; A303-R306 PolarHBondContact O-N 3.03Å; R306-G308 PolarHBondContact O-N 3.24Å; R306-N353 HydrophobicContact CG-CB 4.23Å; R306-N353 WeakPolarHBondContact CG-ND2 3.29Å
307S96.9Very high97.6Very high70 Ų7029 Ų2949%0.4917%0.173SC..Hα-helixtrans-67.4-26.5179.778.10000112.9A303 L304 A305 A309A303-S307 PolarHBondContact O-N 3.21Å; A303-S307 VanDerWaalsContact O-N 3.08Å; L304-S307 WeakPolarHBondContact O-CB 3.44Å; L304-S307 PolarHBondContact O-N 2.99Å; L304-S307 PolarHBondContact O-OG 3.29Å; A305-S307 PolarHBondContact O-N 3.27Å; S307-A309 PolarHBondContact O-N 2.81Å; S307-A309 PolarHBondContact OG-N 2.84Å; S307-A309 VanDerWaalsContact OG-N 3.14Å
308G94.2Very high97.4Very high45 Ų4529.3 Ų29.346%0.46417%0.174SC..THydrogen-bonded Turntrans66.86.3-172.500000114.7A305 R306A305-G308 PolarHBondContact O-N 3.01Å; A305-G308 VanDerWaalsContact O-N 3.13Å; R306-G308 PolarHBondContact O-N 3.24Å
309A97.2Very high97.2Very high64 Ų6430.1 Ų30.153%0.52918%0.183SC..  trans-96.7-7.1-175.500000113.8T261 S307T261-A309 WeakPolarHBondContact CB-O 3.32Å; S307-A309 PolarHBondContact O-N 2.81Å; S307-A309 PolarHBondContact OG-N 2.84Å; S307-A309 VanDerWaalsContact OG-N 3.14Å
310V98.3Very high97.1Very high4 Ų427 Ų272%0.02417%0.173CC..  trans-117.1127.4177.9-177.40000109.5T261 A263 L287 L304 V312 I313 T359T261-V310 HydrophobicContact CG2-CG2 4.46Å; A263-V310 HydrophobicContact CB-CG1 3.98Å; L287-V310 HydrophobicContact CD1-CG2 4.03Å; L304-V310 HydrophobicContact CB-CG2 4.23Å; L304-V310 HydrophobicContact CD2-CG2 3.97Å; L304-V310 HydrophobicContact CG-CG2 4.5Å; V310-V312 WeakPolarHBondContact CG1-O 3.45Å; V310-I313 HydrophobicContact CB-CG1 4.41Å; V310-I313 HydrophobicContact CG1-CD1 4.48Å; V310-I313 HydrophobicContact CG1-CG1 3.65Å; V310-T359 WeakPolarHBondContact O-CB 3.37Å; V310-T359 VanDerWaalsContact O-CG2 3.25Å; V310-T359 WeakPolarHBondContact O-CG2 3.16Å; V310-T359 PolarHBondContact O-OG1 2.93Å
311D98.5Very high97.1Very high48 Ų4825 Ų2526%0.25716%0.163SC..SBendtrans-86.8-39.6-178.8-62.8-76.6000111.9M230 K260 T261 T359 L360M230-D311 HydrophobicContact CE-CB 3.99Å; M230-D311 WeakPolarHBondContact CE-O 3.47Å; K260-D311 VanDerWaalsContact CA-OD2 3.25Å; K260-D311 WeakPolarHBondContact CA-OD2 3.37Å; K260-D311 HydrophobicContact CB-CB 3.71Å; K260-D311 WeakPolarHBondContact CB-OD2 3.43Å; K260-D311 HydrophobicContact CD-CB 4.03Å; K260-D311 HydrophobicContact CG-CB 4.05Å; T261-D311 PolarHBondContact N-OD2 2.88Å; T261-D311 PolarHBondContact O-N 2.91Å; D311-T359 CarbonylContact O-C 3.07Å; D311-T359 WeakPolarHBondContact O-CA 3.43Å; D311-L360 PolarHBondContact O-N 2.79Å
312V98.7Very high96.9Very high0 Ų027.1 Ų27.10%018%0.176CC..EExtended strand (participates in β ladder)trans-133.3125.3-178.2-172.90000110.7A255 T261 C262 A263 V310 V314 L360 I362A255-V312 HydrophobicContact CB-CG2 3.92Å; T261-V312 PolarHBondContact O-N 3.05Å; C262-V312 CarbonylContact C-O 3.51Å; C262-V312 VanDerWaalsContact CA-O 3.27Å; C262-V312 WeakPolarHBondContact CA-O 3.16Å; A263-V312 PolarHBondContact N-O 3.29Å; V310-V312 WeakPolarHBondContact CG1-O 3.45Å; V312-V314 HydrophobicContact CG1-CG2 4.46Å; V312-L360 CarbonylContact C-O 3.37Å; V312-L360 WeakPolarHBondContact CA-O 3.45Å; V312-L360 HydrophobicContact CG1-CB 4.44Å; V312-L360 HydrophobicContact CG1-CD2 4.06Å; V312-L360 HydrophobicContact CG1-CG 4.19Å; V312-L360 HydrophobicContact CG2-CB 4.29Å; V312-L360 HydrophobicContact CG2-CD2 4.27Å; V312-I362 HydrophobicContact CG1-CD1 4.24Å
313I98.8Very high96.8Very high0 Ų027 Ų270%018%0.176CC..EExtended strand (participates in β ladder)trans-115.1131.4173.1-55.5169000108.2A263 I265 L304 V310 T359 L360 L361 I362A263-I313 HydrophobicContact CB-CG1 4.35Å; A263-I313 CarbonylContact O-C 3.2Å; A263-I313 WeakPolarHBondContact O-CA 3.07Å; I265-I313 HydrophobicContact CG1-CG2 4.17Å; L304-I313 HydrophobicContact CB-CD1 3.68Å; L304-I313 HydrophobicContact CB-CG1 4.5Å; L304-I313 HydrophobicContact CD1-CD1 4.31Å; L304-I313 HydrophobicContact CD1-CG1 4.47Å; V310-I313 HydrophobicContact CB-CG1 4.41Å; V310-I313 HydrophobicContact CG1-CD1 4.48Å; V310-I313 HydrophobicContact CG1-CG1 3.65Å; I313-T359 HydrophobicContact CD1-CG2 3.74Å; I313-T359 HydrophobicContact CG1-CG2 3.86Å; I313-L360 PolarHBondContact N-O 2.94Å; I313-L361 HydrophobicContact CB-CD1 3.57Å; I313-L361 HydrophobicContact CG2-CD1 3.51Å; I313-L361 CarbonylContact O-C 3.53Å; I313-L361 WeakPolarHBondContact O-CA 3.21Å; I313-I362 PolarHBondContact O-N 3.3Å
314V98.7Very high96.7Very high0 Ų029.8 Ų29.80%018%0.179CC..EExtended strand (participates in β ladder)trans-113.8135.8172.7179.10000109.4T248 I252 A263 F264 I265 V312 I362 I364T248-V314 HydrophobicContact CG2-CG1 3.92Å; I252-V314 HydrophobicContact CD1-CB 4.3Å; I252-V314 HydrophobicContact CD1-CG2 3.69Å; I252-V314 HydrophobicContact CG1-CG2 4.01Å; A263-V314 PolarHBondContact O-N 3.3Å; F264-V314 HydrophobicContact CD2-CB 3.94Å; F264-V314 HydrophobicContact CD2-CG1 4.03Å; F264-V314 HydrophobicContact CE2-CB 4.22Å; F264-V314 HydrophobicContact CE2-CG1 3.77Å; F264-V314 HydrophobicContact CZ-CG1 4.37Å; I265-V314 PolarHBondContact N-O 3.33Å; V312-V314 HydrophobicContact CG1-CG2 4.46Å; V314-I362 CarbonylContact C-O 3.59Å; V314-I362 WeakPolarHBondContact CA-O 3.17Å; V314-I362 HydrophobicContact CG2-CB 4.22Å; V314-I362 HydrophobicContact CG2-CD1 4.27Å; V314-I364 HydrophobicContact CG1-CD1 4.23Å
315V98.6Very high96.6Very high0 Ų030.3 Ų30.30%019%0.188CC..EExtended strand (participates in β ladder)trans-116.8112.8173.3-175.70000109.3I265 L321 L361 I362 F363 I364I265-V315 HydrophobicContact CB-CB 4.45Å; I265-V315 HydrophobicContact CB-CG1 4.37Å; I265-V315 HydrophobicContact CB-CG2 4.17Å; I265-V315 HydrophobicContact CG1-CG2 4.12Å; V315-L321 HydrophobicContact CG1-CD1 4.24Å; V315-L321 HydrophobicContact CG1-CD2 4.07Å; V315-L321 HydrophobicContact CG1-CG 4.45Å; V315-L361 HydrophobicContact CG2-CD1 4.02Å; V315-I362 PolarHBondContact N-O 3.33Å; V315-F363 HydrophobicContact CB-CD1 3.63Å; V315-F363 HydrophobicContact CB-CE1 3.77Å; V315-F363 HydrophobicContact CB-CG 4.5Å; V315-F363 HydrophobicContact CG1-CD1 3.93Å; V315-F363 HydrophobicContact CG1-CE1 3.89Å; V315-F363 HydrophobicContact CG2-CD1 4.05Å; V315-F363 HydrophobicContact CG2-CE1 3.74Å; V315-F363 HydrophobicContact CG2-CZ 4.27Å; V315-I364 PolarHBondContact O-N 3.38Å
316D96.9Very high96.5Very high6 Ų634.5 Ų34.53%0.03221%0.208CC..EExtended strand (participates in β ladder)trans-115.698.2179-1581.2000110.1T245 F264 I265 D266 A267 E268 I364T245-D316 WeakPolarHBondContact CB-OD2 3.44Å; T245-D316 VanDerWaalsContact CG2-OD2 3.32Å; T245-D316 WeakPolarHBondContact CG2-OD2 3.41Å; T245-D316 PolarHBondContact OG1-OD2 2.86Å; F264-D316 HydrophobicContact CE1-CB 3.64Å; F264-D316 HydrophobicContact CZ-CB 3.48Å; F264-D316 VanDerWaalsContact CZ-CB 3.48Å; I265-D316 PolarHBondContact O-N 3.42Å; D266-D316 CarbonylContact C-O 3.59Å; A267-D316 CarbonylContact C-O 3.55Å; A267-D316 WeakPolarHBondContact CA-O 3.37Å; A267-D316 PolarHBondContact N-O 3.05Å; E268-D316 PolarHBondContact N-O 2.62Å; D316-I364 HydrophobicContact CB-CD1 3.82Å; D316-I364 WeakPolarHBondContact OD1-CD1 3.34Å; D316-I364 WeakPolarHBondContact OD1-CG2 3.45Å; D316-I364 WeakPolarHBondContact OD2-CD1 3.42Å
317S92Very high96.3Very high0 Ų032.1 Ų32.10%020%0.204CC..  cis-137167.3076.60000110.9E268 A319 A320 L321 I364E268-S317 WeakPolarHBondContact OE1-CB 3.29Å; E268-S317 PolarHBondContact OE1-OG 3.43Å; S317-A319 PolarHBondContact O-N 2.9Å; S317-A319 VanDerWaalsContact O-N 3.14Å; S317-A319 PolarHBondContact OG-N 3.18Å; S317-A320 PolarHBondContact O-N 3.1Å; S317-L321 PolarHBondContact O-N 3.29Å; S317-I364 WeakPolarHBondContact CA-O 3.16Å; S317-I364 WeakPolarHBondContact CB-O 3.3Å
318V94.7Very high96.2Very high6 Ų635.4 Ų35.44%0.03621%0.212CC..G310 helixtrans-55.5-32.1175.21770000112A320 L321 M343 F363 I364 N365 L387V318-A320 PolarHBondContact O-N 3.41Å; V318-L321 PolarHBondContact O-N 3.32Å; V318-M343 HydrophobicContact CG1-CE 4.2Å; V318-M343 HydrophobicContact CG1-SD 4.31Å; V318-M343 HydrophobicContact CG2-CE 4.31Å; V318-F363 HydrophobicContact CG2-CB 3.75Å; V318-F363 HydrophobicContact CG2-CD1 3.36Å; V318-F363 HydrophobicContact CG2-CE1 4.25Å; V318-F363 HydrophobicContact CG2-CG 3.84Å; V318-I364 PolarHBondContact N-O 3.44Å; V318-N365 HydrophobicContact CB-CB 4.41Å; V318-N365 HydrophobicContact CG2-CB 4.47Å; V318-L387 HydrophobicContact CG2-CD2 3.86Å
319A94.2Very high96.2Very high27 Ų2734.5 Ų34.522%0.22320%0.203CC..G310 helixtrans-68.8-19.618000000113.1S317 Q366 T382S317-A319 PolarHBondContact O-N 2.9Å; S317-A319 VanDerWaalsContact O-N 3.14Å; S317-A319 PolarHBondContact OG-N 3.18Å; A319-Q366 HydrophobicContact CB-CB 4.17Å; A319-Q366 HydrophobicContact CB-CG 3.87Å; A319-T382 HydrophobicContact CB-CG2 4.21Å
320A95.8Very high96Very high29 Ų2939 Ų3924%0.2421%0.213CC..G310 helixtrans-100.53.617700000113.3A267 E268 S317 V318 T322A267-A320 HydrophobicContact CB-CB 3.92Å; A267-A320 VanDerWaalsContact O-CB 3.29Å; A267-A320 WeakPolarHBondContact O-CB 3.38Å; E268-A320 HydrophobicContact CG-CB 3.98Å; S317-A320 PolarHBondContact O-N 3.1Å; V318-A320 PolarHBondContact O-N 3.41Å; A320-T322 PolarHBondContact O-N 3.35Å; A320-T322 PolarHBondContact O-OG1 3.38Å
321L96.8Very high95.8Very high5 Ų547.7 Ų47.73%0.02626%0.257CS..  trans-77.967.4173.1-62.6179.2000110.5A267 A297 L298 V315 S317 V318 P323 M342 M343 F363A267-L321 HydrophobicContact CB-CD2 4.15Å; A297-L321 HydrophobicContact CB-CD2 3.5Å; L298-L321 HydrophobicContact CD1-CD1 4.41Å; L298-L321 HydrophobicContact CD2-CD1 4.19Å; L298-L321 HydrophobicContact CG-CD1 4.37Å; V315-L321 HydrophobicContact CG1-CD1 4.24Å; V315-L321 HydrophobicContact CG1-CD2 4.07Å; V315-L321 HydrophobicContact CG1-CG 4.45Å; S317-L321 PolarHBondContact O-N 3.29Å; V318-L321 PolarHBondContact O-N 3.32Å; L321-P323 WeakPolarHBondContact O-CD 3.34Å; L321-M342 HydrophobicContact CB-CE 3.91Å; L321-M342 VanDerWaalsContact O-CE 3.25Å; L321-M342 WeakPolarHBondContact O-CE 3.46Å; L321-M343 HydrophobicContact CD1-SD 3.83Å; L321-F363 HydrophobicContact CD1-CE1 4.16Å
322T96.1Very high95.4Very high44 Ų4449.1 Ų49.127%0.2728%0.283SS..  trans-74.5121.7-176.8-440000109.8G294 A320 E326 I327G294-T322 PolarHBondContact N-O 3.09Å; A320-T322 PolarHBondContact O-N 3.35Å; A320-T322 PolarHBondContact O-OG1 3.38Å; T322-E326 HydrophobicContact CG2-CB 3.87Å; T322-E326 HydrophobicContact CG2-CG 3.73Å; T322-I327 HydrophobicContact CG2-CD1 4.42Å; T322-I327 HydrophobicContact CG2-CG1 3.72Å
323P96.1Very high95.1Very high1 Ų153.1 Ų53.11%0.00631%0.305CS..  trans-59.1147.1178.9-24.935.1000112L321 A325 E326 I327 L338 A339 M342L321-P323 WeakPolarHBondContact O-CD 3.34Å; P323-A325 PolarHBondContact O-N 3.42Å; P323-A325 VanDerWaalsContact O-N 3.17Å; P323-E326 WeakPolarHBondContact O-CA 3.45Å; P323-E326 WeakPolarHBondContact O-CB 3.05Å; P323-E326 PolarHBondContact O-N 2.91Å; P323-I327 PolarHBondContact O-N 3.17Å; P323-I327 VanDerWaalsContact O-N 3.14Å; P323-L338 HydrophobicContact CB-CD2 3.5Å; P323-L338 VanDerWaalsContact CB-CD2 3.5Å; P323-L338 HydrophobicContact CB-CG 3.77Å; P323-L338 HydrophobicContact CG-CB 4.26Å; P323-L338 HydrophobicContact CG-CD2 3.93Å; P323-L338 HydrophobicContact CG-CG 3.8Å; P323-A339 HydrophobicContact CG-CB 4.17Å; P323-M342 HydrophobicContact CG-CE 4.47Å; P323-M342 HydrophobicContact CG-SD 4.44Å
324K96Very high94.7Very high104 Ų10458.1 Ų58.145%0.45234%0.34SS..Hα-helixtrans-51.8-43.5-179.7179.9175.2174.9178.60112.8T293 E295 E326 I327 E328T293-K324 HydrophobicContact CG2-CB 4.08Å; T293-K324 HydrophobicContact CG2-CG 4.3Å; E295-K324 PolarHBondContact OE1-N 2.76Å; E295-K324 VanDerWaalsContact OE1-N 3.1Å; E295-K324 PolarHBondContact OE2-N 3.07Å; K324-E326 PolarHBondContact O-N 3.4Å; K324-I327 PolarHBondContact O-N 2.87Å; K324-E328 WeakPolarHBondContact CE-OE1 3.39Å; K324-E328 HydrophobicContact CG-CG 4.35Å; K324-E328 IonicContact NZ-OE1 3.53Å; K324-E328 WeakPolarHBondContact O-CG 3.44Å; K324-E328 PolarHBondContact O-N 3.33Å
325A95.4Very high94.2Very high48 Ų4860.8 Ų60.840%0.39735%0.352SS..Hα-helixtrans-65.2-27.4179.700000113.4P323 G329 H335 L338P323-A325 PolarHBondContact O-N 3.42Å; P323-A325 VanDerWaalsContact O-N 3.17Å; A325-G329 PolarHBondContact O-N 2.86Å; A325-G329 VanDerWaalsContact O-N 3.14Å; A325-H335 PolarHBondContact O-CE1 3.17Å; A325-H335 PolarHBondContact O-NE2 3.01Å; A325-L338 HydrophobicContact CB-CD2 3.98Å
326E94.8Very high93.7Very high88 Ų8869.4 Ų69.441%0.41139%0.394SS..Hα-helixtrans-78.8-32.5175.6-175.2175.4155.900111.4T322 P323 K324T322-E326 HydrophobicContact CG2-CB 3.87Å; T322-E326 HydrophobicContact CG2-CG 3.73Å; P323-E326 WeakPolarHBondContact O-CA 3.45Å; P323-E326 WeakPolarHBondContact O-CB 3.05Å; P323-E326 PolarHBondContact O-N 2.91Å; K324-E326 PolarHBondContact O-N 3.4Å
327I93.6Very high93.3Very high85 Ų8571.4 Ų71.444%0.43642%0.416SS..Hα-helixtrans-71.3-40.1174.2-62.3-178.4000111.8D292 T293 T322 P323 K324 G329D292-I327 WeakPolarHBondContact O-CD1 3.28Å; T293-I327 HydrophobicContact CG2-CD1 4.05Å; T322-I327 HydrophobicContact CG2-CD1 4.42Å; T322-I327 HydrophobicContact CG2-CG1 3.72Å; P323-I327 PolarHBondContact O-N 3.17Å; P323-I327 VanDerWaalsContact O-N 3.14Å; K324-I327 PolarHBondContact O-N 2.87Å; I327-G329 VanDerWaalsContact C-N 3.32Å
328E95.2Very high93.4Very high140 Ų14073.2 Ų73.265%0.65443%0.426SS*.Hα-helixtrans-77.1-19.9178.5-69.7178.115900112.9K324K324-E328 WeakPolarHBondContact CE-OE1 3.39Å; K324-E328 HydrophobicContact CG-CG 4.35Å; K324-E328 IonicContact NZ-OE1 3.53Å; K324-E328 WeakPolarHBondContact O-CG 3.44Å; K324-E328 PolarHBondContact O-N 3.33Å
329G93.1Very high93.3Very high26 Ų2674.3 Ų74.327%0.26844%0.435SS..SBendtrans-78.6176.9175.500000113.5A325 I327A325-G329 PolarHBondContact O-N 2.86Å; A325-G329 VanDerWaalsContact O-N 3.14Å; I327-G329 VanDerWaalsContact C-N 3.32Å
330E94Very high93.3Very high159 Ų15974.4 Ų74.474%0.74344%0.436SS*.  trans-90.2151.3173.8-65.5-171.6172.300111.3G332 D333E330-G332 PolarHBondContact O-N 2.85Å; E330-D333 PolarHBondContact N-OD2 2.87Å; E330-D333 WeakPolarHBondContact O-CB 3.46Å; E330-D333 PolarHBondContact O-N 3.21Å
331I93.8Very high93.2Very high186 Ų18681.7 Ų81.795%0.95446%0.457SS*.THydrogen-bonded Turntrans-62.2110.5172.3-61.5175.8000108.6
332G90.8Very high93.2Very high77 Ų7782.3 Ų82.379%0.79446%0.46SS*.THydrogen-bonded Turntrans124.8-16-17600000113.3E330E330-G332 PolarHBondContact O-N 2.85Å
333D92Very high93.3Very high85 Ų8580.3 Ų80.346%0.45545%0.448SS..  trans-63.5139.4174.6-74.7-18.7000111.6E330 H335E330-D333 PolarHBondContact N-OD2 2.87Å; E330-D333 WeakPolarHBondContact O-CB 3.46Å; E330-D333 PolarHBondContact O-N 3.21Å; D333-H335 PolarHBondContact O-N 2.84Å
334S89.4Confident93.2Very high105 Ų10582.5 Ų82.573%0.73446%0.463SS*.  trans-86.495.4-175.264.10000111.8
335H87.8Confident93.2Very high56 Ų5683.7 Ų83.726%0.25947%0.47SS..  trans-102.146.3173.2-60.4-72.3000112.6A325 D333 G337 L338A325-H335 PolarHBondContact O-CE1 3.17Å; A325-H335 PolarHBondContact O-NE2 3.01Å; D333-H335 PolarHBondContact O-N 2.84Å; H335-G337 PolarHBondContact O-N 3.24Å; H335-G337 VanDerWaalsContact O-N 3.1Å; H335-L338 HydrophobicContact CB-CB 4.15Å; H335-L338 HydrophobicContact CB-CD2 4.13Å; H335-L338 WeakPolarHBondContact O-CB 3.46Å; H335-L338 PolarHBondContact O-N 3.17Å; H335-L338 VanDerWaalsContact O-N 3.11Å
336M88.3Confident93.3Very high181 Ų18182 Ų8289%0.89246%0.456SS*.THydrogen-bonded Turntrans-54.8119.1-172.2-67.7-169.571.500112.4L338M336-L338 PolarHBondContact O-N 3.39Å
337G89.7Confident93.4Very high47 Ų4777.8 Ų77.849%0.48544%0.436SS..THydrogen-bonded Turntrans745.3175.500000115.6H335 A339 A340 R341H335-G337 PolarHBondContact O-N 3.24Å; H335-G337 VanDerWaalsContact O-N 3.1Å; G337-A339 PolarHBondContact O-N 2.96Å; G337-A340 WeakPolarHBondContact O-CB 3.43Å; G337-A340 PolarHBondContact O-N 3.41Å; G337-A340 VanDerWaalsContact O-N 3.13Å; G337-R341 PolarHBondContact O-N 3.38Å
338L93.2Very high93.5Very high39 Ų3982.7 Ų82.720%0.20445%0.449CS..Hα-helixtrans-60.5-48-177.9-174.461.4000112P323 A325 H335 M336 A340 R341 M342P323-L338 HydrophobicContact CB-CD2 3.5Å; P323-L338 VanDerWaalsContact CB-CD2 3.5Å; P323-L338 HydrophobicContact CB-CG 3.77Å; P323-L338 HydrophobicContact CG-CB 4.26Å; P323-L338 HydrophobicContact CG-CD2 3.93Å; P323-L338 HydrophobicContact CG-CG 3.8Å; A325-L338 HydrophobicContact CB-CD2 3.98Å; H335-L338 HydrophobicContact CB-CB 4.15Å; H335-L338 HydrophobicContact CB-CD2 4.13Å; H335-L338 WeakPolarHBondContact O-CB 3.46Å; H335-L338 PolarHBondContact O-N 3.17Å; H335-L338 VanDerWaalsContact O-N 3.11Å; M336-L338 PolarHBondContact O-N 3.39Å; L338-A340 VanDerWaalsContact C-N 3.26Å; L338-A340 PolarHBondContact O-N 3.13Å; L338-R341 PolarHBondContact O-N 2.91Å; L338-M342 PolarHBondContact O-N 2.97Å
339A92.9Very high93.5Very high29 Ų2980 Ų8024%0.2444%0.435CS..Hα-helixtrans-58-36.617500000112.7P323 G337 M343P323-A339 HydrophobicContact CG-CB 4.17Å; G337-A339 PolarHBondContact O-N 2.96Å; A339-M343 WeakPolarHBondContact O-CB 3.1Å; A339-M343 VanDerWaalsContact O-CG 3.3Å; A339-M343 WeakPolarHBondContact O-CG 3.24Å; A339-M343 PolarHBondContact O-N 2.96Å
340A93.8Very high93.7Very high28 Ų2878.8 Ų78.823%0.23142%0.423CS..Hα-helixtrans-69.6-38.6178.500000112.5G337 L338 S344G337-A340 WeakPolarHBondContact O-CB 3.43Å; G337-A340 PolarHBondContact O-N 3.41Å; G337-A340 VanDerWaalsContact O-N 3.13Å; L338-A340 VanDerWaalsContact C-N 3.26Å; L338-A340 PolarHBondContact O-N 3.13Å; A340-S344 WeakPolarHBondContact O-CB 3.3Å; A340-S344 PolarHBondContact O-N 3.34Å; A340-S344 PolarHBondContact O-OG 3.05Å
341R94.9Very high93.7Very high182 Ų18272.7 Ų72.769%0.68740%0.4SS*.Hα-helixtrans-66.8-43.8175-70175.465-124.71.4111.2G337 L338 S344 Q345G337-R341 PolarHBondContact O-N 3.38Å; L338-R341 PolarHBondContact O-N 2.91Å; R341-S344 WeakPolarHBondContact O-CB 3.27Å; R341-S344 PolarHBondContact O-N 3.38Å; R341-Q345 PolarHBondContact O-N 3.2Å
342M96.7Very high93.6Very high18 Ų1865.6 Ų65.69%0.08937%0.373CS..Hα-helixtrans-57.4-51174.1-178.1-173.868.300111.3E295 L298 L321 P323 L338 S344 Q345 A346E295-M342 HydrophobicContact CG-CG 4.3Å; E295-M342 HydrophobicContact CG-SD 3.8Å; L298-M342 HydrophobicContact CD1-CE 3.88Å; L298-M342 HydrophobicContact CD1-CG 3.89Å; L298-M342 HydrophobicContact CD1-SD 4.03Å; L321-M342 HydrophobicContact CB-CE 3.91Å; L321-M342 VanDerWaalsContact O-CE 3.25Å; L321-M342 WeakPolarHBondContact O-CE 3.46Å; P323-M342 HydrophobicContact CG-CE 4.47Å; P323-M342 HydrophobicContact CG-SD 4.44Å; L338-M342 PolarHBondContact O-N 2.97Å; M342-S344 VanDerWaalsContact C-N 3.31Å; M342-S344 PolarHBondContact O-N 2.95Å; M342-Q345 PolarHBondContact O-N 2.64Å; M342-A346 WeakPolarHBondContact O-CB 3.5Å; M342-A346 PolarHBondContact O-N 3.39Å
343M97.3Very high93.8Very high2 Ų263.8 Ų63.81%0.0135%0.345CS..Hα-helixtrans-59-41.5176.8-74.4-58.5-6700112L298 V318 L321 A339 Q345 A346 M347 F363 G383 L387L298-M343 HydrophobicContact CD1-SD 4.1Å; L298-M343 HydrophobicContact CD2-SD 4.4Å; V318-M343 HydrophobicContact CG1-CE 4.2Å; V318-M343 HydrophobicContact CG1-SD 4.31Å; V318-M343 HydrophobicContact CG2-CE 4.31Å; L321-M343 HydrophobicContact CD1-SD 3.83Å; A339-M343 WeakPolarHBondContact O-CB 3.1Å; A339-M343 VanDerWaalsContact O-CG 3.3Å; A339-M343 WeakPolarHBondContact O-CG 3.24Å; A339-M343 PolarHBondContact O-N 2.96Å; M343-Q345 VanDerWaalsContact C-N 3.34Å; M343-Q345 PolarHBondContact O-N 2.68Å; M343-A346 PolarHBondContact O-N 2.68Å; M343-M347 HydrophobicContact CE-CE 3.83Å; M343-M347 HydrophobicContact CE-SD 4.46Å; M343-M347 WeakPolarHBondContact O-CB 3.35Å; M343-M347 VanDerWaalsContact O-CG 3.24Å; M343-M347 WeakPolarHBondContact O-CG 3.43Å; M343-M347 PolarHBondContact O-N 3.25Å; M343-F363 HydrophobicContact CE-CD1 4.5Å; M343-F363 HydrophobicContact CE-CE1 4.16Å; M343-F363 HydrophobicContact CE-CZ 4.28Å; M343-G383 WeakPolarHBondContact CB-O 3.39Å; M343-L387 HydrophobicContact CE-CB 4.37Å; M343-L387 HydrophobicContact CE-CD2 4.38Å
344S95.4Very high94.1Very high47 Ų4759.8 Ų59.833%0.32932%0.323SS..Hα-helixtrans-61.9-40.6178.6-59.20000112.8A340 R341 M342 R348 A386A340-S344 WeakPolarHBondContact O-CB 3.3Å; A340-S344 PolarHBondContact O-N 3.34Å; A340-S344 PolarHBondContact O-OG 3.05Å; R341-S344 WeakPolarHBondContact O-CB 3.27Å; R341-S344 PolarHBondContact O-N 3.38Å; M342-S344 VanDerWaalsContact C-N 3.31Å; M342-S344 PolarHBondContact O-N 2.95Å; S344-R348 PolarHBondContact O-N 3.16Å; S344-A386 WeakPolarHBondContact OG-CB 3.25Å
345Q95.6Very high94.2Very high130 Ų13057.4 Ų57.461%0.60730%0.3SS*.Hα-helixtrans-68-45.1175-174.1-179.419.700111.3R341 M342 M343 R348 K349R341-Q345 PolarHBondContact O-N 3.2Å; M342-Q345 PolarHBondContact O-N 2.64Å; M343-Q345 VanDerWaalsContact C-N 3.34Å; M343-Q345 PolarHBondContact O-N 2.68Å; Q345-R348 WeakPolarHBondContact O-CB 3.28Å; Q345-R348 PolarHBondContact O-N 2.97Å; Q345-K349 PolarHBondContact O-N 2.83Å
346A96.8Very high94.4Very high11 Ų1162.8 Ų62.89%0.09133%0.325CS..Hα-helixtrans-63.6-45.4-179.400000112.4L298 M342 M343 R348 K349 L350L298-A346 HydrophobicContact CB-CB 4.11Å; L298-A346 HydrophobicContact CD1-CB 3.67Å; L298-A346 HydrophobicContact CD2-CB 3.96Å; L298-A346 HydrophobicContact CG-CB 4.12Å; M342-A346 WeakPolarHBondContact O-CB 3.5Å; M342-A346 PolarHBondContact O-N 3.39Å; M343-A346 PolarHBondContact O-N 2.68Å; A346-R348 PolarHBondContact O-N 3.43Å; A346-K349 PolarHBondContact O-N 2.77Å; A346-K349 VanDerWaalsContact O-N 3.1Å; A346-L350 HydrophobicContact CB-CD1 4.26Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 WeakPolarHBondContact O-CG 3.34Å; A346-L350 PolarHBondContact O-N 3.02Å
347M97.4Very high94.7Very high0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-58.1-38.7176.9-67.6-52.587.400112.1I233 M343 K349 L350 A351 F363 A386 L387 Y390I233-M347 HydrophobicContact CD1-SD 3.85Å; M343-M347 HydrophobicContact CE-CE 3.83Å; M343-M347 HydrophobicContact CE-SD 4.46Å; M343-M347 WeakPolarHBondContact O-CB 3.35Å; M343-M347 VanDerWaalsContact O-CG 3.24Å; M343-M347 WeakPolarHBondContact O-CG 3.43Å; M343-M347 PolarHBondContact O-N 3.25Å; M347-K349 VanDerWaalsContact C-N 3.34Å; M347-K349 PolarHBondContact O-N 2.92Å; M347-L350 HydrophobicContact CE-CD1 3.88Å; M347-A351 WeakPolarHBondContact O-CB 3.32Å; M347-A351 PolarHBondContact O-N 2.88Å; M347-A351 VanDerWaalsContact O-N 3.1Å; M347-F363 HydrophobicContact CE-CE2 3.64Å; M347-F363 HydrophobicContact CE-CZ 3.72Å; M347-F363 HydrophobicContact SD-CE2 4.3Å; M347-A386 HydrophobicContact CG-CB 4.16Å; M347-L387 HydrophobicContact SD-CD1 3.84Å; M347-Y390 HydrophobicContact CB-CD1 3.96Å; M347-Y390 HydrophobicContact CB-CD2 3.48Å; M347-Y390 VanDerWaalsContact CB-CD2 3.48Å; M347-Y390 HydrophobicContact CB-CE1 4.15Å; M347-Y390 HydrophobicContact CB-CE2 3.71Å; M347-Y390 HydrophobicContact CB-CG 3.61Å; M347-Y390 HydrophobicContact CG-CD2 3.99Å; M347-Y390 HydrophobicContact CG-CG 4.11Å; M347-Y390 WeakPolarHBondContact O-CE1 3.41Å
348R94.5Very high95Very high189 Ų18955.4 Ų55.471%0.71328%0.28SS*.Hα-helixtrans-63.4-37.9177.8-166.7-174.1-56.6179.90.9112.4S344 Q345 A346S344-R348 PolarHBondContact O-N 3.16Å; Q345-R348 WeakPolarHBondContact O-CB 3.28Å; Q345-R348 PolarHBondContact O-N 2.97Å; A346-R348 PolarHBondContact O-N 3.43Å
349K95.2Very high95.2Very high82 Ų8253.6 Ų53.636%0.35727%0.27SS..Hα-helixtrans-76.2-49.6176.8-67.7-179.565.7-171.60111.6E299 D302 Q345 A346 M347 A351E299-K349 IonicContact OE1-NZ 3.77Å; E299-K349 PolarHBondContact OE1-NZ 2.77Å; E299-K349 IonicContact OE2-NZ 3.52Å; D302-K349 WeakPolarHBondContact OD2-CE 3.3Å; D302-K349 IonicContact OD2-NZ 2.63Å; D302-K349 PolarHBondContact OD2-NZ 2.82Å; D302-K349 VanDerWaalsContact OD2-NZ 3.13Å; Q345-K349 PolarHBondContact O-N 2.83Å; A346-K349 PolarHBondContact O-N 2.77Å; A346-K349 VanDerWaalsContact O-N 3.1Å; M347-K349 VanDerWaalsContact C-N 3.34Å; M347-K349 PolarHBondContact O-N 2.92Å; K349-A351 PolarHBondContact O-N 2.88Å
350L97.5Very high95.5Very high1 Ų152.2 Ų52.21%0.00526%0.259CS..Hα-helixtrans-65.5-42-172-74.9164.6000112.7L298 C301 D302 A346 M347 G352 N353 L354 L361L298-L350 HydrophobicContact CD2-CD1 4.25Å; C301-L350 HydrophobicContact CB-CD2 3.9Å; D302-L350 HydrophobicContact CB-CD2 3.93Å; A346-L350 HydrophobicContact CB-CD1 4.26Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 WeakPolarHBondContact O-CG 3.34Å; A346-L350 PolarHBondContact O-N 3.02Å; M347-L350 HydrophobicContact CE-CD1 3.88Å; L350-G352 VanDerWaalsContact C-N 3.31Å; L350-G352 PolarHBondContact O-N 2.84Å; L350-N353 PolarHBondContact O-N 3.23Å; L350-N353 VanDerWaalsContact O-N 3.16Å; L350-L354 HydrophobicContact CB-CD1 4.07Å; L350-L354 HydrophobicContact CB-CG 4.48Å; L350-L354 WeakPolarHBondContact O-CB 3.3Å; L350-L354 WeakPolarHBondContact O-CG 3.39Å; L350-L354 PolarHBondContact O-N 2.77Å; L350-L361 HydrophobicContact CD1-CD2 3.85Å; L350-L361 HydrophobicContact CD2-CD2 4.33Å; L350-L361 HydrophobicContact CG-CD2 4.48Å
351A94.8Very high95.7Very high32 Ų3250.9 Ų50.926%0.26425%0.248SC..Hα-helixtrans-57.8-40.3-171.700000113.9I233 M347 K349 K355 Y390I233-A351 HydrophobicContact CD1-CB 4.41Å; M347-A351 WeakPolarHBondContact O-CB 3.32Å; M347-A351 PolarHBondContact O-N 2.88Å; M347-A351 VanDerWaalsContact O-N 3.1Å; K349-A351 PolarHBondContact O-N 2.88Å; A351-K355 PolarHBondContact O-N 3.39Å; A351-Y390 HydrophobicContact CB-CD1 3.71Å; A351-Y390 HydrophobicContact CB-CE1 3.8Å
352G91.4Very high95.9Very high37 Ų3742.2 Ų42.238%0.38122%0.215SC..Hα-helixtrans-68.8-47.4176.800000112.2L350 K355 Q356L350-G352 VanDerWaalsContact C-N 3.31Å; L350-G352 PolarHBondContact O-N 2.84Å; G352-K355 PolarHBondContact O-N 2.82Å; G352-Q356 WeakPolarHBondContact O-CG 3.25Å; G352-Q356 PolarHBondContact O-N 3.02Å; G352-Q356 VanDerWaalsContact O-N 3.14Å
353N96Very high96Very high39 Ų3941.3 Ų41.321%0.20921%0.211CC..Hα-helixtrans-64.1-45.8-178.1-66.9-20.1000111.4D302 A305 R306 L350 K355 Q356 S357D302-N353 PolarHBondContact OD1-ND2 3.14Å; A305-N353 HydrophobicContact CB-CB 4.13Å; R306-N353 HydrophobicContact CG-CB 4.23Å; R306-N353 WeakPolarHBondContact CG-ND2 3.29Å; L350-N353 PolarHBondContact O-N 3.23Å; L350-N353 VanDerWaalsContact O-N 3.16Å; N353-K355 VanDerWaalsContact C-N 3.31Å; N353-K355 PolarHBondContact O-N 3.17Å; N353-Q356 PolarHBondContact O-N 2.84Å; N353-S357 WeakPolarHBondContact O-CB 3.31Å; N353-S357 PolarHBondContact O-N 3.46Å; N353-S357 PolarHBondContact O-OG 2.99Å
354L97.2Very high96.1Very high0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-57.6-42.5176.8-68.1169.6000111.9G231 I233 A305 L350 S357 N358 T359 L361G231-L354 VanDerWaalsContact CA-O 3.24Å; G231-L354 WeakPolarHBondContact CA-O 3.33Å; I233-L354 HydrophobicContact CD1-CD1 4.04Å; I233-L354 HydrophobicContact CG1-CD1 3.49Å; I233-L354 VanDerWaalsContact CG1-CD1 3.49Å; A305-L354 HydrophobicContact CB-CD2 3.8Å; A305-L354 HydrophobicContact CB-CG 4.34Å; L350-L354 HydrophobicContact CB-CD1 4.07Å; L350-L354 HydrophobicContact CB-CG 4.48Å; L350-L354 WeakPolarHBondContact O-CB 3.3Å; L350-L354 WeakPolarHBondContact O-CG 3.39Å; L350-L354 PolarHBondContact O-N 2.77Å; L354-S357 WeakPolarHBondContact CA-OG 3.35Å; L354-S357 PolarHBondContact O-N 3.49Å; L354-S357 PolarHBondContact O-OG 3.48Å; L354-N358 CarbonylContact O-C 3.58Å; L354-N358 WeakPolarHBondContact O-CA 3.37Å; L354-N358 PolarHBondContact O-N 3.06Å; L354-T359 HydrophobicContact CD2-CG2 3.77Å; L354-T359 WeakPolarHBondContact CD2-O 3.46Å; L354-T359 PolarHBondContact O-N 3.23Å; L354-L361 HydrophobicContact CD1-CB 3.63Å; L354-L361 HydrophobicContact CD1-CD2 3.78Å; L354-L361 HydrophobicContact CD1-CG 4.37Å; L354-L361 HydrophobicContact CD2-CB 3.82Å; L354-L361 HydrophobicContact CD2-CD2 4.45Å; L354-L361 HydrophobicContact CG-CB 4.4Å
355K92.4Very high96.2Very high56 Ų5639 Ų3924%0.24320%0.195CC..Hα-helixtrans-67.7-40.7-179.6-177.754.7-178160.90112S206 A351 G352 N353 S357 N358S206-K355 WeakPolarHBondContact O-CE 3.46Å; S206-K355 PolarHBondContact O-NZ 3.04Å; A351-K355 PolarHBondContact O-N 3.39Å; G352-K355 PolarHBondContact O-N 2.82Å; N353-K355 VanDerWaalsContact C-N 3.31Å; N353-K355 PolarHBondContact O-N 3.17Å; K355-S357 VanDerWaalsContact C-N 3.34Å; K355-N358 PolarHBondContact O-N 3.44Å
356Q91.3Very high96.2Very high169 Ų16935.1 Ų35.179%0.7918%0.177SC*.Hα-helixtrans-69.3-32.8178.6-70.9175.92.200112.5G352 N353G352-Q356 WeakPolarHBondContact O-CG 3.25Å; G352-Q356 PolarHBondContact O-N 3.02Å; G352-Q356 VanDerWaalsContact O-N 3.14Å; N353-Q356 PolarHBondContact O-N 2.84Å
357S94.5Very high96.1Very high25 Ų2536.1 Ų36.118%0.17518%0.18CC..Hα-helixtrans-89.1-4.9178.2660000114.2A305 N353 L354 K355 T359A305-S357 WeakPolarHBondContact O-CB 3.16Å; A305-S357 PolarHBondContact O-OG 3.42Å; N353-S357 WeakPolarHBondContact O-CB 3.31Å; N353-S357 PolarHBondContact O-N 3.46Å; N353-S357 PolarHBondContact O-OG 2.99Å; L354-S357 WeakPolarHBondContact CA-OG 3.35Å; L354-S357 PolarHBondContact O-N 3.49Å; L354-S357 PolarHBondContact O-OG 3.48Å; K355-S357 VanDerWaalsContact C-N 3.34Å; S357-T359 WeakPolarHBondContact CB-OG1 3.41Å; S357-T359 PolarHBondContact O-N 2.98Å; S357-T359 VanDerWaalsContact OG-CB 3.28Å; S357-T359 WeakPolarHBondContact OG-CB 3.45Å; S357-T359 PolarHBondContact OG-N 2.88Å; S357-T359 PolarHBondContact OG-OG1 3.44Å
358N95.9Very high95.8Very high48 Ų4841.6 Ų41.626%0.25720%0.201SC..THydrogen-bonded Turntrans54.424.3-169.3-156.537.6000113.9E210 M230 G231 L354 K355E210-N358 PolarHBondContact OE2-ND2 3.42Å; M230-N358 VanDerWaalsContact CB-OD1 3.28Å; M230-N358 WeakPolarHBondContact CB-OD1 3.35Å; M230-N358 WeakPolarHBondContact CE-O 3.4Å; G231-N358 VanDerWaalsContact N-C 3.32Å; G231-N358 PolarHBondContact N-O 3.4Å; G231-N358 VanDerWaalsContact N-O 3.14Å; L354-N358 CarbonylContact O-C 3.58Å; L354-N358 WeakPolarHBondContact O-CA 3.37Å; L354-N358 PolarHBondContact O-N 3.06Å; K355-N358 PolarHBondContact O-N 3.44Å
359T98.1Very high95.7Very high0 Ų039.4 Ų39.40%020%0.201CC..  trans-81.4126.1-178.7-54.50000111.4G231 V310 D311 I313 L354 S357G231-T359 CarbonylContact C-O 3.56Å; G231-T359 WeakPolarHBondContact CA-O 3.35Å; G231-T359 PolarHBondContact N-O 3.44Å; V310-T359 WeakPolarHBondContact O-CB 3.37Å; V310-T359 VanDerWaalsContact O-CG2 3.25Å; V310-T359 WeakPolarHBondContact O-CG2 3.16Å; V310-T359 PolarHBondContact O-OG1 2.93Å; D311-T359 CarbonylContact O-C 3.07Å; D311-T359 WeakPolarHBondContact O-CA 3.43Å; I313-T359 HydrophobicContact CD1-CG2 3.74Å; I313-T359 HydrophobicContact CG1-CG2 3.86Å; L354-T359 HydrophobicContact CD2-CG2 3.77Å; L354-T359 WeakPolarHBondContact CD2-O 3.46Å; L354-T359 PolarHBondContact O-N 3.23Å; S357-T359 WeakPolarHBondContact CB-OG1 3.41Å; S357-T359 PolarHBondContact O-N 2.98Å; S357-T359 VanDerWaalsContact OG-CB 3.28Å; S357-T359 WeakPolarHBondContact OG-CB 3.45Å; S357-T359 PolarHBondContact OG-N 2.88Å; S357-T359 PolarHBondContact OG-OG1 3.44Å
360L98.5Very high95.4Very high0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans-78.1127.8168167.761.9000110I212 L228 M230 V234 D311 V312 I313 I362I212-L360 HydrophobicContact CG2-CD2 3.43Å; I212-L360 VanDerWaalsContact CG2-CD2 3.43Å; L228-L360 HydrophobicContact CB-CD1 4.33Å; L228-L360 HydrophobicContact CB-CD2 3.83Å; L228-L360 HydrophobicContact CD1-CD2 4.23Å; M230-L360 HydrophobicContact SD-CB 3.97Å; V234-L360 HydrophobicContact CB-CD1 4.33Å; V234-L360 HydrophobicContact CG2-CD1 3.59Å; D311-L360 PolarHBondContact O-N 2.79Å; V312-L360 CarbonylContact C-O 3.37Å; V312-L360 WeakPolarHBondContact CA-O 3.45Å; V312-L360 HydrophobicContact CG1-CB 4.44Å; V312-L360 HydrophobicContact CG1-CD2 4.06Å; V312-L360 HydrophobicContact CG1-CG 4.19Å; V312-L360 HydrophobicContact CG2-CB 4.29Å; V312-L360 HydrophobicContact CG2-CD2 4.27Å; I313-L360 PolarHBondContact N-O 2.94Å; L360-I362 HydrophobicContact CD1-CG1 4.04Å; L360-I362 HydrophobicContact CD2-CD1 4Å; L360-I362 HydrophobicContact CD2-CG1 4.12Å; L360-I362 HydrophobicContact CG-CD1 4.33Å; L360-I362 HydrophobicContact CG-CG1 3.89Å
361L98.7Very high94.9Very high0 Ų048.8 Ų48.80%025%0.248CC..EExtended strand (participates in β ladder)trans-114.7117.5173.2-177.962.7000110.6R232 I233 V234 I313 V315 L350 L354 F363R232-L361 PolarHBondContact O-N 3.11Å; I233-L361 CarbonylContact C-O 3.57Å; I233-L361 VanDerWaalsContact CA-O 3.31Å; I233-L361 WeakPolarHBondContact CA-O 3.42Å; I233-L361 HydrophobicContact CG1-CB 4.41Å; I233-L361 HydrophobicContact CG1-CD2 4.47Å; V234-L361 PolarHBondContact N-O 2.89Å; I313-L361 HydrophobicContact CB-CD1 3.57Å; I313-L361 HydrophobicContact CG2-CD1 3.51Å; I313-L361 CarbonylContact O-C 3.53Å; I313-L361 WeakPolarHBondContact O-CA 3.21Å; V315-L361 HydrophobicContact CG2-CD1 4.02Å; L350-L361 HydrophobicContact CD1-CD2 3.85Å; L350-L361 HydrophobicContact CD2-CD2 4.33Å; L350-L361 HydrophobicContact CG-CD2 4.48Å; L354-L361 HydrophobicContact CD1-CB 3.63Å; L354-L361 HydrophobicContact CD1-CD2 3.78Å; L354-L361 HydrophobicContact CD1-CG 4.37Å; L354-L361 HydrophobicContact CD2-CB 3.82Å; L354-L361 HydrophobicContact CD2-CD2 4.45Å; L354-L361 HydrophobicContact CG-CB 4.4Å; L361-F363 HydrophobicContact CD1-CE2 4.46Å; L361-F363 HydrophobicContact CD2-CD2 4.35Å; L361-F363 HydrophobicContact CD2-CE2 3.4Å; L361-F363 VanDerWaalsContact CD2-CE2 3.4Å; L361-F363 HydrophobicContact CD2-CZ 3.81Å; L361-F363 HydrophobicContact CG-CD2 4.19Å; L361-F363 HydrophobicContact CG-CE2 3.7Å; L361-F363 HydrophobicContact CG-CZ 4.27Å
362I98.8Very high94.6Very high0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-107.1119.7179.1-50.5177.8000109.3L228 V234 I236 T248 V251 V312 I313 V314 V315 L360L228-I362 HydrophobicContact CD1-CD1 3.71Å; L228-I362 HydrophobicContact CD1-CG1 4.39Å; V234-I362 HydrophobicContact CB-CG1 4.38Å; V234-I362 CarbonylContact O-C 3.47Å; V234-I362 WeakPolarHBondContact O-CA 3.24Å; I236-I362 HydrophobicContact CD1-CG2 3.72Å; I236-I362 HydrophobicContact CG1-CG2 3.85Å; T248-I362 HydrophobicContact CG2-CG2 3.88Å; V251-I362 HydrophobicContact CB-CD1 4.31Å; V251-I362 HydrophobicContact CG1-CD1 3.89Å; V251-I362 HydrophobicContact CG2-CD1 4.4Å; V312-I362 HydrophobicContact CG1-CD1 4.24Å; I313-I362 PolarHBondContact O-N 3.3Å; V314-I362 CarbonylContact C-O 3.59Å; V314-I362 WeakPolarHBondContact CA-O 3.17Å; V314-I362 HydrophobicContact CG2-CB 4.22Å; V314-I362 HydrophobicContact CG2-CD1 4.27Å; V315-I362 PolarHBondContact N-O 3.33Å; L360-I362 HydrophobicContact CD1-CG1 4.04Å; L360-I362 HydrophobicContact CD2-CD1 4Å; L360-I362 HydrophobicContact CD2-CG1 4.12Å; L360-I362 HydrophobicContact CG-CD1 4.33Å; L360-I362 HydrophobicContact CG-CG1 3.89Å
363F98.7Very high94.3Very high0 Ų051.9 Ų51.90%027%0.27CS..EExtended strand (participates in β ladder)trans-96.5124.8168.5-77.4-80.3000110.4I233 V234 E235 I236 L298 V315 V318 L321 M343 M347 L361 L387I233-F363 HydrophobicContact CG2-CD2 3.96Å; I233-F363 HydrophobicContact CG2-CE2 4.26Å; V234-F363 PolarHBondContact O-N 3.14Å; E235-F363 CarbonylContact C-O 3.57Å; E235-F363 WeakPolarHBondContact CA-O 3.49Å; I236-F363 PolarHBondContact N-O 3.49Å; L298-F363 HydrophobicContact CD2-CE1 4.06Å; L298-F363 HydrophobicContact CD2-CZ 3.93Å; V315-F363 HydrophobicContact CB-CD1 3.63Å; V315-F363 HydrophobicContact CB-CE1 3.77Å; V315-F363 HydrophobicContact CB-CG 4.5Å; V315-F363 HydrophobicContact CG1-CD1 3.93Å; V315-F363 HydrophobicContact CG1-CE1 3.89Å; V315-F363 HydrophobicContact CG2-CD1 4.05Å; V315-F363 HydrophobicContact CG2-CE1 3.74Å; V315-F363 HydrophobicContact CG2-CZ 4.27Å; V318-F363 HydrophobicContact CG2-CB 3.75Å; V318-F363 HydrophobicContact CG2-CD1 3.36Å; V318-F363 HydrophobicContact CG2-CE1 4.25Å; V318-F363 HydrophobicContact CG2-CG 3.84Å; L321-F363 HydrophobicContact CD1-CE1 4.16Å; M343-F363 HydrophobicContact CE-CD1 4.5Å; M343-F363 HydrophobicContact CE-CE1 4.16Å; M343-F363 HydrophobicContact CE-CZ 4.28Å; M347-F363 HydrophobicContact CE-CE2 3.64Å; M347-F363 HydrophobicContact CE-CZ 3.72Å; M347-F363 HydrophobicContact SD-CE2 4.3Å; L361-F363 HydrophobicContact CD1-CE2 4.46Å; L361-F363 HydrophobicContact CD2-CD2 4.35Å; L361-F363 HydrophobicContact CD2-CE2 3.4Å; L361-F363 VanDerWaalsContact CD2-CE2 3.4Å; L361-F363 HydrophobicContact CD2-CZ 3.81Å; L361-F363 HydrophobicContact CG-CD2 4.19Å; L361-F363 HydrophobicContact CG-CE2 3.7Å; L361-F363 HydrophobicContact CG-CZ 4.27Å; F363-L387 HydrophobicContact CB-CD1 4.34Å; F363-L387 HydrophobicContact CB-CD2 3.84Å; F363-L387 HydrophobicContact CD2-CD1 3.65Å; F363-L387 HydrophobicContact CD2-CD2 4.44Å; F363-L387 HydrophobicContact CE2-CD1 4.27Å; F363-L387 HydrophobicContact CG-CD1 4.18Å; F363-L387 HydrophobicContact CG-CD2 4.14Å
364I98.4Very high93.7Very high0 Ų058.4 Ų58.40%030%0.301CS..EExtended strand (participates in β ladder)trans-81.8138.6162-66.2172.1000108.1I236 K244 T248 V314 V315 D316 S317 V318I236-I364 CarbonylContact O-C 3.57Å; I236-I364 WeakPolarHBondContact O-CA 3.27Å; K244-I364 HydrophobicContact CB-CG1 4.5Å; K244-I364 HydrophobicContact CB-CG2 3.83Å; K244-I364 HydrophobicContact CD-CG2 3.82Å; K244-I364 HydrophobicContact CG-CG2 4.41Å; T248-I364 HydrophobicContact CG2-CD1 3.62Å; T248-I364 HydrophobicContact CG2-CG1 3.68Å; V314-I364 HydrophobicContact CG1-CD1 4.23Å; V315-I364 PolarHBondContact O-N 3.38Å; D316-I364 HydrophobicContact CB-CD1 3.82Å; D316-I364 WeakPolarHBondContact OD1-CD1 3.34Å; D316-I364 WeakPolarHBondContact OD1-CG2 3.45Å; D316-I364 WeakPolarHBondContact OD2-CD1 3.42Å; S317-I364 WeakPolarHBondContact CA-O 3.16Å; S317-I364 WeakPolarHBondContact CB-O 3.3Å; V318-I364 PolarHBondContact N-O 3.44Å
365N97.9Very high93.1Very high0 Ų067.5 Ų67.50%034%0.341CS..EExtended strand (participates in β ladder)trans-138.3156.4177.4-148.9-18.8000111.9E235 I236 Y237 K244 V318 T381 T382E235-N365 HydrophobicContact CG-CB 4.19Å; E235-N365 PolarHBondContact OE1-ND2 2.9Å; I236-N365 PolarHBondContact O-N 3.39Å; Y237-N365 VanDerWaalsContact CA-O 3.29Å; Y237-N365 WeakPolarHBondContact CA-O 3.44Å; K244-N365 VanDerWaalsContact CD-O 3.25Å; K244-N365 WeakPolarHBondContact CD-O 3.3Å; K244-N365 WeakPolarHBondContact CE-O 3.3Å; V318-N365 HydrophobicContact CB-CB 4.41Å; V318-N365 HydrophobicContact CG2-CB 4.47Å; N365-T381 WeakPolarHBondContact ND2-CB 3.45Å; N365-T382 PolarHBondContact ND2-O 3.44Å; N365-T382 WeakPolarHBondContact OD1-CB 3.47Å; N365-T382 PolarHBondContact OD1-N 3.33Å
366Q95.2Very high92.9Very high49 Ų4968.3 Ų68.323%0.22937%0.365CS..EExtended strand (participates in β ladder)trans-101.7157.1179.4-58.9-177.96.600110.5E268 A319 R368E268-Q366 PolarHBondContact OE1-NE2 2.88Å; A319-Q366 HydrophobicContact CB-CB 4.17Å; A319-Q366 HydrophobicContact CB-CG 3.87Å; Q366-R368 VanDerWaalsContact OE1-CZ 3.3Å
367I94.5Very high92.7Very high32 Ų3265.4 Ų65.416%0.16436%0.355CS..EExtended strand (participates in β ladder)trans-84.4139.9171-64.2178.2000109.3Y237 P239 E379 T380Y237-I367 HydrophobicContact CD2-CD1 4.29Å; Y237-I367 HydrophobicContact CD2-CG1 4.01Å; P239-I367 HydrophobicContact CG-CD1 4.24Å; I367-E379 HydrophobicContact CG2-CB 3.95Å; I367-E379 HydrophobicContact CG2-CG 3.79Å; I367-T380 WeakPolarHBondContact CA-O 3.19Å
368R93Very high92.6Very high114 Ų11466 Ų6643%0.4336%0.359SS..EExtended strand (participates in β ladder)trans-129.6159.1167.1-65.3-66.5-176.2-87.3-0.4108.9Q366 E379 T380Q366-R368 VanDerWaalsContact OE1-CZ 3.3Å; R368-E379 CarbonylContact O-C 3.58Å; R368-E379 WeakPolarHBondContact O-CA 3.25Å; R368-T380 HydrophobicContact CB-CG2 4.13Å; R368-T380 PolarHBondContact N-O 3.45Å; R368-T380 PolarHBondContact O-N 3.27Å
369M91.9Very high92.4Very high144 Ų14466.7 Ų66.771%0.70936%0.36SS*.EExtended strand (participates in β ladder)trans-101.7133.4175.1-59.6-176.689.300110.1I371 P378M369-I371 PolarHBondContact O-N 3.44Å; M369-P378 HydrophobicContact CE-CG 3.93Å
370K88.7Confident92.2Very high107 Ų10767.9 Ų67.947%0.46537%0.368SS..PPolyproline II helixtrans-78.7117168.5-69.2-175.4175.9-1760109.4V373 P378 T380K370-V373 HydrophobicContact CB-CG2 3.72Å; K370-P378 PolarHBondContact N-O 3.18Å; K370-T380 HydrophobicContact CD-CG2 4.47Å; K370-T380 HydrophobicContact CG-CG2 3.69Å
371I87.7Confident92Very high173 Ų17368.3 Ų68.389%0.88737%0.37SS*.THydrogen-bonded Turntrans-67.2138.7175.5-57.8173.5000109M369M369-I371 PolarHBondContact O-N 3.44Å
372G86.7Confident91.7Very high69 Ų6970.1 Ų70.171%0.71138%0.381SS*.THydrogen-bonded Turntrans90.7-0.8174.200000116.1M374G372-M374 PolarHBondContact O-N 3.07Å
373V85.6Confident91.3Very high65 Ų6570.4 Ų70.439%0.39439%0.385SS..  trans-77.5110.9174.4177.70000109.8K370 F375 P378K370-V373 HydrophobicContact CB-CG2 3.72Å; V373-F375 WeakPolarHBondContact CG1-O 3.45Å; V373-P378 HydrophobicContact CB-CB 4.31Å
374M84.9Confident90.9Very high176 Ų17671.8 Ų71.887%0.86740%0.398SS*.  trans-92.4-16.7179.4-64.6-171.5178.300114.2G372G372-M374 PolarHBondContact O-N 3.07Å
375F83.7Confident90.6Very high190 Ų19076 Ų7683%0.83342%0.421SS*.SBendtrans-133.9143.2179.4-70.2-81.6000110.6V373V373-F375 WeakPolarHBondContact CG1-O 3.45Å
376G87.8Confident90.4Very high74 Ų7476.6 Ų76.676%0.76343%0.426SS*.SBendtrans87.5-164.517800000114.2P378G376-P378 WeakPolarHBondContact O-CD 3.34Å
377N87.3Confident90.5Very high108 Ų10874.3 Ų74.358%0.57842%0.415SS*.  trans-86.1117.8178-174.7-1000110E379N377-E379 PolarHBondContact ND2-OE2 3.3Å; N377-E379 VanDerWaalsContact ND2-OE2 3.16Å; N377-E379 PolarHBondContact O-N 3.04Å; N377-E379 VanDerWaalsContact OD1-CB 3.27Å; N377-E379 WeakPolarHBondContact OD1-CB 3.49Å; N377-E379 VanDerWaalsContact OD1-CG 3.24Å; N377-E379 WeakPolarHBondContact OD1-CG 3.2Å; N377-E379 PolarHBondContact OD1-N 3.29Å
378P91.6Very high90.5Very high38 Ų3874.9 Ų74.925%0.24742%0.416CS..  trans-76.4-7.6178.532.7-37000113.6M369 K370 V373 G376M369-P378 HydrophobicContact CE-CG 3.93Å; K370-P378 PolarHBondContact N-O 3.18Å; V373-P378 HydrophobicContact CB-CB 4.31Å; G376-P378 WeakPolarHBondContact O-CD 3.34Å
379E93.1Very high90.6Very high61 Ų6176.4 Ų76.429%0.28543%0.426SS..EExtended strand (participates in β ladder)trans-66.9135.6-179.7-66.2175.8159.300112.1I367 R368 N377 R398I367-E379 HydrophobicContact CG2-CB 3.95Å; I367-E379 HydrophobicContact CG2-CG 3.79Å; R368-E379 CarbonylContact O-C 3.58Å; R368-E379 WeakPolarHBondContact O-CA 3.25Å; N377-E379 PolarHBondContact ND2-OE2 3.3Å; N377-E379 VanDerWaalsContact ND2-OE2 3.16Å; N377-E379 PolarHBondContact O-N 3.04Å; N377-E379 VanDerWaalsContact OD1-CB 3.27Å; N377-E379 WeakPolarHBondContact OD1-CB 3.49Å; N377-E379 VanDerWaalsContact OD1-CG 3.24Å; N377-E379 WeakPolarHBondContact OD1-CG 3.2Å; N377-E379 PolarHBondContact OD1-N 3.29Å; E379-R398 IonicContact OE1-CZ 2.76Å; E379-R398 IonicContact OE1-NH1 2.96Å; E379-R398 PolarHBondContact OE1-NH1 3.47Å; E379-R398 IonicContact OE1-NH2 3.95Å; E379-R398 PolarHBondContact OE1-NH2 3.02Å; E379-R398 IonicContact OE2-CZ 2.7Å; E379-R398 IonicContact OE2-NH1 2.87Å; E379-R398 IonicContact OE2-NH2 2.66Å; E379-R398 PolarHBondContact OE2-NH2 3.18Å
380T93.8Very high90.8Very high26 Ų2673.6 Ų73.616%0.1641%0.408CS..EExtended strand (participates in β ladder)trans-138166.2171.6-168.70000110.2I367 R368 K370 K388I367-T380 WeakPolarHBondContact CA-O 3.19Å; R368-T380 HydrophobicContact CB-CG2 4.13Å; R368-T380 PolarHBondContact N-O 3.45Å; R368-T380 PolarHBondContact O-N 3.27Å; K370-T380 HydrophobicContact CD-CG2 4.47Å; K370-T380 HydrophobicContact CG-CG2 3.69Å; T380-K388 PolarHBondContact OG1-NZ 3.41Å
381T94.2Very high91.2Very high9 Ų968.5 Ų68.56%0.05539%0.386CS..EExtended strand (participates in β ladder)trans-102.7158.2172.358.90000111.1E235 Y237 N365 K388 R394E235-T381 WeakPolarHBondContact OE1-CB 3.48Å; E235-T381 PolarHBondContact OE1-OG1 3.16Å; E235-T381 VanDerWaalsContact OE1-OG1 3.14Å; Y237-T381 HydrophobicContact CD1-CG2 3.95Å; Y237-T381 HydrophobicContact CD2-CG2 3.83Å; Y237-T381 HydrophobicContact CE2-CG2 4.47Å; Y237-T381 HydrophobicContact CG-CG2 3.53Å; N365-T381 WeakPolarHBondContact ND2-CB 3.45Å; T381-K388 WeakPolarHBondContact OG1-CE 3.47Å; T381-R394 PolarHBondContact OG1-NH2 2.93Å
382T93.2Very high91.6Very high37 Ų3760.6 Ų60.623%0.22735%0.346CS..SBendtrans-76.6160.4178.2-51.10000111.1A319 N365A319-T382 HydrophobicContact CB-CG2 4.21Å; N365-T382 PolarHBondContact ND2-O 3.44Å; N365-T382 WeakPolarHBondContact OD1-CB 3.47Å; N365-T382 PolarHBondContact OD1-N 3.33Å
383G89.8Confident92.2Very high7 Ų757.3 Ų57.37%0.07231%0.312CS..SBendtrans88.114.8176.100000115.4M343M343-G383 WeakPolarHBondContact CB-O 3.39Å
384G89.9Confident92.8Very high28 Ų2855.7 Ų55.729%0.28930%0.299SS..  trans76.3-160.6178.100000113.9
385N93.3Very high93.4Very high90 Ų9047.3 Ų47.348%0.48126%0.258SS..SBendtrans-93.6-14.6-175.7-69.2-39000114.1L387 K388 F389N385-L387 PolarHBondContact O-N 2.58Å; N385-K388 VanDerWaalsContact O-CB 3.3Å; N385-K388 WeakPolarHBondContact O-CB 3.49Å; N385-K388 PolarHBondContact O-N 3.45Å; N385-K388 PolarHBondContact OD1-NZ 3.05Å; N385-F389 HydrophobicContact CB-CD2 4.34Å; N385-F389 HydrophobicContact CB-CE2 3.91Å; N385-F389 WeakPolarHBondContact O-CD2 3.48Å; N385-F389 PolarHBondContact O-N 3.09Å
386A93.3Very high94.1Very high11 Ų1139 Ų399%0.09122%0.223CC..Hα-helixtrans-55.6-50.7-17300000112.3S344 M347 K388 F389 Y390S344-A386 WeakPolarHBondContact OG-CB 3.25Å; M347-A386 HydrophobicContact CG-CB 4.16Å; A386-K388 PolarHBondContact O-N 3.13Å; A386-F389 PolarHBondContact O-N 3.37Å; A386-Y390 WeakPolarHBondContact O-CD2 3.43Å; A386-Y390 PolarHBondContact O-N 2.94Å; A386-Y390 VanDerWaalsContact O-N 3.1Å
387L96.3Very high94.6Very high1 Ų135.5 Ų35.51%0.00519%0.186CC..Hα-helixtrans-56-37.5178.5-178.557.7000112.1I233 E235 V318 M343 M347 F363 N385 F389 Y390 A391I233-L387 HydrophobicContact CG2-CD1 3.61Å; E235-L387 HydrophobicContact CB-CD1 4.49Å; E235-L387 HydrophobicContact CB-CD2 4.15Å; E235-L387 HydrophobicContact CB-CG 4.16Å; E235-L387 VanDerWaalsContact CD-CD2 3.49Å; E235-L387 HydrophobicContact CG-CD2 3.71Å; E235-L387 HydrophobicContact CG-CG 4.17Å; V318-L387 HydrophobicContact CG2-CD2 3.86Å; M343-L387 HydrophobicContact CE-CB 4.37Å; M343-L387 HydrophobicContact CE-CD2 4.38Å; M347-L387 HydrophobicContact SD-CD1 3.84Å; F363-L387 HydrophobicContact CB-CD1 4.34Å; F363-L387 HydrophobicContact CB-CD2 3.84Å; F363-L387 HydrophobicContact CD2-CD1 3.65Å; F363-L387 HydrophobicContact CD2-CD2 4.44Å; F363-L387 HydrophobicContact CE2-CD1 4.27Å; F363-L387 HydrophobicContact CG-CD1 4.18Å; F363-L387 HydrophobicContact CG-CD2 4.14Å; N385-L387 PolarHBondContact O-N 2.58Å; L387-F389 VanDerWaalsContact C-N 3.27Å; L387-F389 PolarHBondContact O-N 3.37Å; L387-Y390 PolarHBondContact O-N 2.76Å; L387-A391 WeakPolarHBondContact O-CB 3.3Å; L387-A391 PolarHBondContact O-N 2.9Å
388K95.3Very high95.2Very high44 Ų4434 Ų3419%0.19117%0.172CC..Hα-helixtrans-60.9-35.6178.3-53.4-175-178.7166.60112.3T380 T381 N385 A386 K420T380-K388 PolarHBondContact OG1-NZ 3.41Å; T381-K388 WeakPolarHBondContact OG1-CE 3.47Å; N385-K388 VanDerWaalsContact O-CB 3.3Å; N385-K388 WeakPolarHBondContact O-CB 3.49Å; N385-K388 PolarHBondContact O-N 3.45Å; N385-K388 PolarHBondContact OD1-NZ 3.05Å; A386-K388 PolarHBondContact O-N 3.13Å; K388-K420 PolarHBondContact O-NZ 2.71Å
389F93.9Very high95.5Very high146 Ų14637.8 Ų37.864%0.6418%0.182SC*.Hα-helixtrans-79.5-43.5179.2-70.1-73.9000112.6N385 A386 L387 K420 K422N385-F389 HydrophobicContact CB-CD2 4.34Å; N385-F389 HydrophobicContact CB-CE2 3.91Å; N385-F389 WeakPolarHBondContact O-CD2 3.48Å; N385-F389 PolarHBondContact O-N 3.09Å; A386-F389 PolarHBondContact O-N 3.37Å; L387-F389 VanDerWaalsContact C-N 3.27Å; L387-F389 PolarHBondContact O-N 3.37Å; F389-K420 PolarHBondContact O-NZ 3.24Å; F389-K422 PolarHBondContact O-NZ 3.03Å
390Y96.9Very high95.7Very high85 Ų8538.4 Ų38.433%0.33319%0.186SC..Hα-helixtrans-75.4-30.5-177.3-80.8-93.2000113.5M347 A351 A386 L387 S392M347-Y390 HydrophobicContact CB-CD1 3.96Å; M347-Y390 HydrophobicContact CB-CD2 3.48Å; M347-Y390 VanDerWaalsContact CB-CD2 3.48Å; M347-Y390 HydrophobicContact CB-CE1 4.15Å; M347-Y390 HydrophobicContact CB-CE2 3.71Å; M347-Y390 HydrophobicContact CB-CG 3.61Å; M347-Y390 HydrophobicContact CG-CD2 3.99Å; M347-Y390 HydrophobicContact CG-CG 4.11Å; M347-Y390 WeakPolarHBondContact O-CE1 3.41Å; A351-Y390 HydrophobicContact CB-CD1 3.71Å; A351-Y390 HydrophobicContact CB-CE1 3.8Å; A386-Y390 WeakPolarHBondContact O-CD2 3.43Å; A386-Y390 PolarHBondContact O-N 2.94Å; A386-Y390 VanDerWaalsContact O-N 3.1Å; L387-Y390 PolarHBondContact O-N 2.76Å; Y390-S392 PolarHBondContact O-N 2.72Å
391A97.3Very high95.8Very high0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-59124.3175.200000110.7I233 E235 L387 R394 K420I233-A391 HydrophobicContact CG2-CB 4.49Å; I233-A391 CarbonylContact O-C 3.56Å; I233-A391 VanDerWaalsContact O-CA 3.31Å; I233-A391 WeakPolarHBondContact O-CA 3.39Å; E235-A391 HydrophobicContact CB-CB 4.29Å; L387-A391 WeakPolarHBondContact O-CB 3.3Å; L387-A391 PolarHBondContact O-N 2.9Å; A391-R394 HydrophobicContact CB-CG 3.69Å; A391-K420 WeakPolarHBondContact O-CD 3.48Å; A391-K420 VanDerWaalsContact O-CE 3.28Å; A391-K420 WeakPolarHBondContact O-CE 3.29Å; A391-K420 PolarHBondContact O-NZ 2.99Å
392S96.6Very high95.9Very high7 Ų740 Ų405%0.04921%0.206CC..EExtended strand (participates in β ladder)trans-76.8-31.2171.3-68.70000111.4R232 I233 Y390 N421 K422R232-S392 WeakPolarHBondContact CD-OG 3.21Å; R232-S392 PolarHBondContact NH1-OG 3.5Å; I233-S392 PolarHBondContact O-N 3.47Å; Y390-S392 PolarHBondContact O-N 2.72Å; S392-N421 CarbonylContact O-C 3.59Å; S392-K422 PolarHBondContact O-N 3.43Å
393V98Very high96Very high0 Ų039.1 Ų39.10%020%0.2CC..EExtended strand (participates in β ladder)trans-130.3137.5174.1176.20000108.9L223 L228 P229 V234 E235 L395 V418 K420 I423L223-V393 HydrophobicContact CD2-CG1 3.53Å; L223-V393 HydrophobicContact CD2-CG2 4.21Å; L228-V393 HydrophobicContact CD2-CG1 4.33Å; P229-V393 HydrophobicContact CG-CG2 4.13Å; V234-V393 WeakPolarHBondContact CA-O 3.43Å; V234-V393 HydrophobicContact CG1-CB 4.19Å; V234-V393 HydrophobicContact CG1-CG1 4.34Å; V234-V393 HydrophobicContact CG2-CB 4.1Å; E235-V393 PolarHBondContact N-O 3.19Å; V393-L395 HydrophobicContact CG1-CD2 3.74Å; V393-L395 HydrophobicContact CG1-CG 3.97Å; V393-V418 HydrophobicContact CG1-CG1 4.38Å; V393-K420 WeakPolarHBondContact CA-O 3.46Å; V393-I423 HydrophobicContact CG2-CD1 4.34Å; V393-I423 HydrophobicContact CG2-CG1 4.36Å
394R98.4Very high96.2Very high31 Ų3145.3 Ų45.312%0.11723%0.225CC..EExtended strand (participates in β ladder)trans-125.5129.5169.7-61.1-176.677.1-142-5.3109.7E235 T381 A391 V418 V419 K420E235-R394 HydrophobicContact CB-CG 4.25Å; E235-R394 CarbonylContact O-C 3.53Å; E235-R394 VanDerWaalsContact O-CA 3.3Å; E235-R394 WeakPolarHBondContact O-CA 3.43Å; E235-R394 IonicContact OE1-NH2 3.52Å; E235-R394 PolarHBondContact OE1-NH2 2.87Å; E235-R394 IonicContact OE2-CZ 2.78Å; E235-R394 IonicContact OE2-NE 3.48Å; E235-R394 PolarHBondContact OE2-NE 3.33Å; E235-R394 IonicContact OE2-NH2 3.66Å; E235-R394 PolarHBondContact OE2-NH2 2.84Å; T381-R394 PolarHBondContact OG1-NH2 2.93Å; A391-R394 HydrophobicContact CB-CG 3.69Å; R394-V418 CarbonylContact O-C 3.6Å; R394-V419 HydrophobicContact CB-CG2 3.59Å; R394-V419 WeakPolarHBondContact O-CG2 3.46Å; R394-V419 PolarHBondContact O-N 2.86Å; R394-K420 HydrophobicContact CB-CB 3.76Å; R394-K420 HydrophobicContact CG-CB 3.79Å; R394-K420 HydrophobicContact CG-CD 4.07Å; R394-K420 PolarHBondContact N-O 3.35Å; R394-K420 PolarHBondContact O-N 3.14Å
395L98.7Very high96.1Very high0 Ų050.8 Ų50.80%024%0.243CC..EExtended strand (participates in β ladder)trans-117123.5-175.8-60.1-177.1000110.4L219 L223 L228 E235 I236 Y237 L247 V393 V416 K417 V418L219-L395 HydrophobicContact CD1-CD2 4.23Å; L219-L395 HydrophobicContact CD2-CD1 4.22Å; L223-L395 HydrophobicContact CD2-CD2 4.22Å; L228-L395 HydrophobicContact CD2-CD1 4.3Å; E235-L395 PolarHBondContact O-N 2.81Å; I236-L395 HydrophobicContact CD1-CD1 4.13Å; I236-L395 HydrophobicContact CG1-CB 4.28Å; I236-L395 HydrophobicContact CG1-CD1 4.07Å; I236-L395 HydrophobicContact CG1-CG 4.5Å; I236-L395 HydrophobicContact CG2-CB 4.34Å; Y237-L395 WeakPolarHBondContact CD1-O 3.18Å; Y237-L395 PolarHBondContact N-O 3.41Å; L247-L395 HydrophobicContact CD2-CD1 4.35Å; V393-L395 HydrophobicContact CG1-CD2 3.74Å; V393-L395 HydrophobicContact CG1-CG 3.97Å; L395-V416 HydrophobicContact CB-CG1 3.92Å; L395-V416 HydrophobicContact CD1-CG1 4.35Å; L395-V416 HydrophobicContact CD2-CG1 4.11Å; L395-V416 HydrophobicContact CG-CG1 4.35Å; L395-K417 WeakPolarHBondContact CA-O 3.16Å; L395-V418 HydrophobicContact CD2-CB 4.32Å; L395-V418 HydrophobicContact CD2-CG1 4.33Å; L395-V418 HydrophobicContact CD2-CG2 3.88Å
396D98.3Very high96Very high17 Ų1750 Ų509%0.09126%0.256CS..EExtended strand (participates in β ladder)trans-97.5104.6169.9-172.6-36.3000108.5Y237 R398 V416 K417 V419Y237-D396 HydrophobicContact CE1-CB 4.33Å; Y237-D396 HydrophobicContact CE2-CB 3.85Å; Y237-D396 WeakPolarHBondContact CE2-OD2 3.33Å; Y237-D396 WeakPolarHBondContact O-CA 3.37Å; Y237-D396 PolarHBondContact OH-OD2 3.28Å; D396-R398 WeakPolarHBondContact OD1-CG 3.33Å; D396-R398 IonicContact OD1-CZ 3.59Å; D396-R398 IonicContact OD1-NE 3.39Å; D396-R398 PolarHBondContact OD1-NE 2.75Å; D396-R398 IonicContact OD1-NH2 3.15Å; D396-R398 PolarHBondContact OD1-NH2 3.4Å; D396-R398 IonicContact OD2-CZ 3.32Å; D396-R398 IonicContact OD2-NE 2.81Å; D396-R398 IonicContact OD2-NH2 2.7Å; D396-R398 PolarHBondContact OD2-NH2 3Å; D396-V416 CarbonylContact O-C 3.55Å; D396-V416 WeakPolarHBondContact O-CA 3.49Å; D396-K417 HydrophobicContact CB-CB 4.35Å; D396-K417 PolarHBondContact N-O 3.46Å; D396-K417 PolarHBondContact O-N 3.19Å; D396-V419 HydrophobicContact CB-CG1 3.82Å
397I98.6Very high95.9Very high0 Ų058.3 Ų58.30%029%0.293CS..EExtended strand (participates in β ladder)trans-103.5128.2-178.5177.1165.3000111.1I236 Y237 G238 P239 S242 K244 L247 T414 R415 V416I236-I397 HydrophobicContact CG2-CG2 3.73Å; Y237-I397 WeakPolarHBondContact O-CG2 3.49Å; Y237-I397 PolarHBondContact O-N 3.14Å; G238-I397 WeakPolarHBondContact CA-O 3.42Å; P239-I397 WeakPolarHBondContact CD-O 3.42Å; S242-I397 VanDerWaalsContact CB-O 3.25Å; S242-I397 WeakPolarHBondContact CB-O 3.32Å; S242-I397 WeakPolarHBondContact O-CG1 3.27Å; S242-I397 PolarHBondContact OG-O 3.43Å; K244-I397 HydrophobicContact CD-CG2 4.49Å; K244-I397 HydrophobicContact CG-CG2 3.55Å; L247-I397 HydrophobicContact CB-CD1 4.29Å; L247-I397 HydrophobicContact CD2-CD1 4.11Å; I397-T414 HydrophobicContact CD1-CG2 3.84Å; I397-T414 HydrophobicContact CG1-CG2 3.74Å; I397-R415 WeakPolarHBondContact CA-O 3.47Å; I397-V416 HydrophobicContact CB-CG2 3.94Å; I397-V416 HydrophobicContact CD1-CG2 3.9Å; I397-V416 HydrophobicContact CG1-CG2 3.79Å
398R98.3Very high95.8Very high75 Ų7563.9 Ų63.928%0.28332%0.323SS..EExtended strand (participates in β ladder)trans-136.4140.7-178.3-59.7-170.6-175-119.8-2.7112P239 E379 D396 T414 R415P239-R398 HydrophobicContact CG-CG 4.43Å; E379-R398 IonicContact OE1-CZ 2.76Å; E379-R398 IonicContact OE1-NH1 2.96Å; E379-R398 PolarHBondContact OE1-NH1 3.47Å; E379-R398 IonicContact OE1-NH2 3.95Å; E379-R398 PolarHBondContact OE1-NH2 3.02Å; E379-R398 IonicContact OE2-CZ 2.7Å; E379-R398 IonicContact OE2-NH1 2.87Å; E379-R398 IonicContact OE2-NH2 2.66Å; E379-R398 PolarHBondContact OE2-NH2 3.18Å; D396-R398 WeakPolarHBondContact OD1-CG 3.33Å; D396-R398 IonicContact OD1-CZ 3.59Å; D396-R398 IonicContact OD1-NE 3.39Å; D396-R398 PolarHBondContact OD1-NE 2.75Å; D396-R398 IonicContact OD1-NH2 3.15Å; D396-R398 PolarHBondContact OD1-NH2 3.4Å; D396-R398 IonicContact OD2-CZ 3.32Å; D396-R398 IonicContact OD2-NE 2.81Å; D396-R398 IonicContact OD2-NH2 2.7Å; D396-R398 PolarHBondContact OD2-NH2 3Å; R398-T414 WeakPolarHBondContact O-CA 3.49Å; R398-R415 PolarHBondContact N-O 3.36Å; R398-R415 PolarHBondContact O-N 3.32Å
399R97.8Very high95.9Very high118 Ų11865.1 Ų65.145%0.44533%0.334SS..EExtended strand (participates in β ladder)trans-76.4120.6164-179.4174.5-177.6-94.92.1108.9G401 S412R399-G401 PolarHBondContact NE-O 2.86Å; R399-S412 WeakPolarHBondContact CD-OG 3.42Å; R399-S412 PolarHBondContact NE-OG 3.33Å; R399-S412 VanDerWaalsContact NE-OG 3.14Å
400I97.5Very high96Very high74 Ų7460 Ų6038%0.37931%0.314SS..EExtended strand (participates in β ladder)trans-107.6-12.9-178.256.7163.2000113.1E413 R415I400-E413 HydrophobicContact CD1-CG 3.98Å; I400-E413 HydrophobicContact CG1-CB 4.07Å; I400-E413 HydrophobicContact CG1-CG 3.95Å; I400-E413 VanDerWaalsContact CG1-O 3.3Å; I400-E413 WeakPolarHBondContact CG1-O 3.4Å; I400-E413 PolarHBondContact N-O 3.29Å; I400-R415 HydrophobicContact CD1-CB 4.11Å; I400-R415 HydrophobicContact CG1-CB 4.39Å; I400-R415 HydrophobicContact CG2-CB 3.75Å
401G97.1Very high95.9Very high26 Ų2655.9 Ų55.927%0.26830%0.298SS..EExtended strand (participates in β ladder)trans-172.3-173.8-179.100000113.5R399 E413R399-G401 PolarHBondContact NE-O 2.86Å; G401-E413 PolarHBondContact N-O 2.87Å; G401-E413 PolarHBondContact O-N 2.87Å
402A96.3Very high95.9Very high43 Ų4356.2 Ų56.236%0.35530%0.3SS..EExtended strand (participates in β ladder)trans-115.9137.3177.400000110.1V409A402-V409 HydrophobicContact CB-CG1 3.98Å; A402-V409 HydrophobicContact CB-CG2 4.43Å
403V94.5Very high96Very high19 Ų1958.3 Ų58.312%0.11531%0.31CS..EExtended strand (participates in β ladder)trans-91.5126.6167.9-174.50000107.5V410 G411 Q433 L435V403-V410 HydrophobicContact CB-CG2 4.36Å; V403-V410 HydrophobicContact CG1-CG2 3.96Å; V403-V410 PolarHBondContact O-N 2.83Å; V403-G411 PolarHBondContact N-O 3.4Å; V403-G411 PolarHBondContact O-N 3.39Å; V403-Q433 HydrophobicContact CG2-CB 4.06Å; V403-Q433 HydrophobicContact CG2-CG 3.74Å; V403-L435 HydrophobicContact CB-CD2 4.49Å; V403-L435 HydrophobicContact CG1-CD2 4.04Å
404K93.2Very high96Very high137 Ų13758.3 Ų58.360%0.59631%0.31SS*.EExtended strand (participates in β ladder)trans-123.3141.2-174.4-65.4-172.9178.8-1730112.5N408 V409K404-N408 VanDerWaalsContact CA-O 3.27Å; K404-N408 WeakPolarHBondContact CA-O 3.35Å; K404-V409 HydrophobicContact CG-CG2 4.25Å
405E89.1Confident96Very high142 Ų14261.3 Ų61.366%0.66432%0.321SS*.EExtended strand (participates in β ladder)trans-115.9101.2162.5-73.1-173177.700108.4E407 N408 V410E405-E407 PolarHBondContact O-N 2.88Å; E405-N408 PolarHBondContact N-O 3.1Å; E405-N408 PolarHBondContact O-N 2.72Å; E405-N408 VanDerWaalsContact O-N 3.15Å; E405-V410 HydrophobicContact CB-CG1 4.02Å; E405-V410 HydrophobicContact CG-CG1 4.14Å; E405-V410 HydrophobicContact CG-CG2 3.98Å
406G90Very high96Very high73 Ų7361.3 Ų61.375%0.75332%0.321SS*.THydrogen-bonded Turntrans62.2-119.7-169.300000111.3
407E92.5Very high96Very high187 Ų18764.9 Ų64.987%0.87434%0.336SS*.THydrogen-bonded Turntrans-86.7-19.4178-61.2-169.4161.300113.2E405E405-E407 PolarHBondContact O-N 2.88Å
408N94.7Very high96Very high118 Ų11864.9 Ų64.963%0.63134%0.336SS*.EExtended strand (participates in β ladder)trans-81.1130-174.3-65.5-36.1000111.1K404 E405 V410K404-N408 VanDerWaalsContact CA-O 3.27Å; K404-N408 WeakPolarHBondContact CA-O 3.35Å; E405-N408 PolarHBondContact N-O 3.1Å; E405-N408 PolarHBondContact O-N 2.72Å; E405-N408 VanDerWaalsContact O-N 3.15Å; N408-V410 HydrophobicContact CB-CG1 4.34Å; N408-V410 PolarHBondContact O-N 2.87Å
409V95.4Very high95.9Very high70 Ų7062.8 Ų62.842%0.42433%0.331SS..EExtended strand (participates in β ladder)trans-83.1107.9169.3-179.70000108.1A402 K404 Y436A402-V409 HydrophobicContact CB-CG1 3.98Å; A402-V409 HydrophobicContact CB-CG2 4.43Å; K404-V409 HydrophobicContact CG-CG2 4.25Å; V409-Y436 HydrophobicContact CG1-CE2 4.17Å
410V96.1Very high95.8Very high37 Ų3759.4 Ų59.422%0.22432%0.32CS..EExtended strand (participates in β ladder)trans-98.9-7.9-175.9-61.60000112.9V403 E405 N408 Y436V403-V410 HydrophobicContact CB-CG2 4.36Å; V403-V410 HydrophobicContact CG1-CG2 3.96Å; V403-V410 PolarHBondContact O-N 2.83Å; E405-V410 HydrophobicContact CB-CG1 4.02Å; E405-V410 HydrophobicContact CG-CG1 4.14Å; E405-V410 HydrophobicContact CG-CG2 3.98Å; N408-V410 HydrophobicContact CB-CG1 4.34Å; N408-V410 PolarHBondContact O-N 2.87Å; V410-Y436 PolarHBondContact O-N 2.83Å
411G96.3Very high95.7Very high0 Ų056.7 Ų56.70%031%0.306CS..EExtended strand (participates in β ladder)trans-172.2-178.9-179.600000114.9V403 I434V403-G411 PolarHBondContact N-O 3.4Å; V403-G411 PolarHBondContact O-N 3.39Å; G411-I434 CarbonylContact C-O 3.54Å; G411-I434 WeakPolarHBondContact CA-O 3.48Å
412S97.4Very high95.4Very high6 Ų659.5 Ų59.54%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-111.3131.2175.9-69.90000110.2R399 T414 I434 Y436R399-S412 WeakPolarHBondContact CD-OG 3.42Å; R399-S412 PolarHBondContact NE-OG 3.33Å; R399-S412 VanDerWaalsContact NE-OG 3.14Å; S412-T414 PolarHBondContact O-OG1 3.32Å; S412-I434 PolarHBondContact N-O 2.96Å; S412-I434 PolarHBondContact O-N 2.99Å; S412-Y436 PolarHBondContact OG-OH 2.77Å
413E97.8Very high95Very high51 Ų5157.6 Ų57.624%0.23829%0.294CS..EExtended strand (participates in β ladder)trans-78125162.4-160.872.7-133.800106.9I400 G401 Q433I400-E413 HydrophobicContact CD1-CG 3.98Å; I400-E413 HydrophobicContact CG1-CB 4.07Å; I400-E413 HydrophobicContact CG1-CG 3.95Å; I400-E413 VanDerWaalsContact CG1-O 3.3Å; I400-E413 WeakPolarHBondContact CG1-O 3.4Å; I400-E413 PolarHBondContact N-O 3.29Å; G401-E413 PolarHBondContact N-O 2.87Å; G401-E413 PolarHBondContact O-N 2.87Å; E413-Q433 WeakPolarHBondContact OE1-CG 3.31Å; E413-Q433 WeakPolarHBondContact OE2-CG 3.34Å; E413-Q433 PolarHBondContact OE2-NE2 2.8Å
414T98.5Very high94.7Very high0 Ų057.3 Ų57.30%029%0.294CS..EExtended strand (participates in β ladder)trans-127.6135.7-165.6-60.70000110.2I397 R398 S412 V416 E431 F432 I434I397-T414 HydrophobicContact CD1-CG2 3.84Å; I397-T414 HydrophobicContact CG1-CG2 3.74Å; R398-T414 WeakPolarHBondContact O-CA 3.49Å; S412-T414 PolarHBondContact O-OG1 3.32Å; T414-V416 HydrophobicContact CG2-CG2 4.35Å; T414-E431 WeakPolarHBondContact O-CA 3.43Å; T414-F432 WeakPolarHBondContact CA-O 3.41Å; T414-F432 HydrophobicContact CG2-CE2 3.99Å; T414-F432 HydrophobicContact CG2-CZ 4.01Å; T414-F432 PolarHBondContact N-O 2.82Å; T414-F432 PolarHBondContact O-N 2.97Å; T414-F432 VanDerWaalsContact O-O 3.12Å; T414-I434 HydrophobicContact CG2-CD1 4.03Å; T414-I434 WeakPolarHBondContact OG1-CD1 3.36Å
415R98.6Very high94.3Very high95 Ų9553.2 Ų53.236%0.35829%0.286SS..EExtended strand (participates in β ladder)trans-116.5135.4172.3-177-176.9-67.9158.30.3109.7I397 R398 I400 A430 E431I397-R415 WeakPolarHBondContact CA-O 3.47Å; R398-R415 PolarHBondContact N-O 3.36Å; R398-R415 PolarHBondContact O-N 3.32Å; I400-R415 HydrophobicContact CD1-CB 4.11Å; I400-R415 HydrophobicContact CG1-CB 4.39Å; I400-R415 HydrophobicContact CG2-CB 3.75Å; R415-A430 CarbonylContact C-O 3.44Å; R415-A430 VanDerWaalsContact CA-O 3.31Å; R415-A430 WeakPolarHBondContact CA-O 3.25Å; R415-E431 HydrophobicContact CB-CG 4.25Å; R415-E431 HydrophobicContact CG-CG 4.03Å; R415-E431 IonicContact CZ-OE1 3.25Å; R415-E431 IonicContact NE-OE1 2.95Å; R415-E431 PolarHBondContact NE-OE1 3.37Å; R415-E431 IonicContact NH2-OE1 3.38Å; R415-E431 PolarHBondContact NH2-OE1 3.18Å
416V98.7Very high94.3Very high0 Ų048.9 Ų48.90%027%0.27CS..EExtended strand (participates in β ladder)trans-122.4123.9173-174.40000109.4L219 L395 D396 I397 T414 Q429 A430 F432L219-V416 HydrophobicContact CD1-CB 4Å; L219-V416 HydrophobicContact CD1-CG1 3.67Å; L219-V416 HydrophobicContact CD2-CB 4.48Å; L219-V416 HydrophobicContact CD2-CG1 4.18Å; L395-V416 HydrophobicContact CB-CG1 3.92Å; L395-V416 HydrophobicContact CD1-CG1 4.35Å; L395-V416 HydrophobicContact CD2-CG1 4.11Å; L395-V416 HydrophobicContact CG-CG1 4.35Å; D396-V416 CarbonylContact O-C 3.55Å; D396-V416 WeakPolarHBondContact O-CA 3.49Å; I397-V416 HydrophobicContact CB-CG2 3.94Å; I397-V416 HydrophobicContact CD1-CG2 3.9Å; I397-V416 HydrophobicContact CG1-CG2 3.79Å; T414-V416 HydrophobicContact CG2-CG2 4.35Å; V416-Q429 CarbonylContact O-C 3.49Å; V416-Q429 VanDerWaalsContact O-CA 3.27Å; V416-Q429 WeakPolarHBondContact O-CA 3.27Å; V416-A430 PolarHBondContact N-O 2.7Å; V416-A430 PolarHBondContact O-N 2.71Å; V416-F432 HydrophobicContact CB-CE1 4.33Å; V416-F432 HydrophobicContact CG2-CE1 3.57Å; V416-F432 HydrophobicContact CG2-CZ 3.63Å
417K98.3Very high94.4Very high91 Ų9151.9 Ų51.940%0.39626%0.263SS..EExtended strand (participates in β ladder)trans-105.3130.6175.3-174.8176.2-179177.20110.4L395 D396 V419L395-K417 WeakPolarHBondContact CA-O 3.16Å; D396-K417 HydrophobicContact CB-CB 4.35Å; D396-K417 PolarHBondContact N-O 3.46Å; D396-K417 PolarHBondContact O-N 3.19Å; K417-V419 HydrophobicContact CB-CG1 4.32Å; K417-V419 HydrophobicContact CD-CG1 4.11Å; K417-V419 HydrophobicContact CG-CG1 3.99Å; K417-V419 PolarHBondContact O-N 2.96Å; K417-V419 VanDerWaalsContact O-N 3.13Å
418V97.4Very high94.5Very high0 Ų046.3 Ų46.30%024%0.236CC..EExtended strand (participates in β ladder)trans-81.887.9174.7-171.90000108.8L219 A222 L223 V393 R394 L395 K420 N421 F427 K428L219-V418 HydrophobicContact CD1-CG2 4.41Å; A222-V418 HydrophobicContact CB-CG2 4.18Å; L223-V418 HydrophobicContact CD2-CG1 4.24Å; L223-V418 HydrophobicContact CD2-CG2 4.16Å; L223-V418 HydrophobicContact CG-CG2 4.44Å; V393-V418 HydrophobicContact CG1-CG1 4.38Å; R394-V418 CarbonylContact O-C 3.6Å; L395-V418 HydrophobicContact CD2-CB 4.32Å; L395-V418 HydrophobicContact CD2-CG1 4.33Å; L395-V418 HydrophobicContact CD2-CG2 3.88Å; V418-K420 VanDerWaalsContact C-N 3.33Å; V418-K420 WeakPolarHBondContact CG1-O 3.36Å; V418-K420 PolarHBondContact O-N 3Å; V418-N421 HydrophobicContact CG1-CB 3.78Å; V418-F427 VanDerWaalsContact O-CA 3.23Å; V418-F427 WeakPolarHBondContact O-CA 3.44Å; V418-F427 PolarHBondContact O-N 3.38Å; V418-K428 PolarHBondContact N-O 2.87Å
419V96.7Very high94.6Very high32 Ų3245.8 Ų45.819%0.19423%0.229CC..EExtended strand (participates in β ladder)trans-79.8-15.2-173.9-61.60000113.8Y237 R394 D396 K417 F427Y237-V419 HydrophobicContact CE1-CG2 3.75Å; Y237-V419 WeakPolarHBondContact OH-CG2 3.39Å; R394-V419 HydrophobicContact CB-CG2 3.59Å; R394-V419 WeakPolarHBondContact O-CG2 3.46Å; R394-V419 PolarHBondContact O-N 2.86Å; D396-V419 HydrophobicContact CB-CG1 3.82Å; K417-V419 HydrophobicContact CB-CG1 4.32Å; K417-V419 HydrophobicContact CD-CG1 4.11Å; K417-V419 HydrophobicContact CG-CG1 3.99Å; K417-V419 PolarHBondContact O-N 2.96Å; K417-V419 VanDerWaalsContact O-N 3.13Å; V419-F427 WeakPolarHBondContact O-CE1 3.38Å
420K96.8Very high94.7Very high47 Ų4742.5 Ų42.520%0.20421%0.21CC..EExtended strand (participates in β ladder)trans-145.5137.8169.1-172.3-176.3-178.3-167.60108.8K388 F389 A391 V393 R394 V418K388-K420 PolarHBondContact O-NZ 2.71Å; F389-K420 PolarHBondContact O-NZ 3.24Å; A391-K420 WeakPolarHBondContact O-CD 3.48Å; A391-K420 VanDerWaalsContact O-CE 3.28Å; A391-K420 WeakPolarHBondContact O-CE 3.29Å; A391-K420 PolarHBondContact O-NZ 2.99Å; V393-K420 WeakPolarHBondContact CA-O 3.46Å; R394-K420 HydrophobicContact CB-CB 3.76Å; R394-K420 HydrophobicContact CG-CB 3.79Å; R394-K420 HydrophobicContact CG-CD 4.07Å; R394-K420 PolarHBondContact N-O 3.35Å; R394-K420 PolarHBondContact O-N 3.14Å; V418-K420 VanDerWaalsContact C-N 3.33Å; V418-K420 WeakPolarHBondContact CG1-O 3.36Å; V418-K420 PolarHBondContact O-N 3Å
421N93.5Very high94.8Very high16 Ų1645 Ų459%0.08622%0.219CC..EExtended strand (participates in β ladder)trans-147.4118.9177.8-163.8-12.1000109.9L223 S392 V418 I423 A424 A425 P426L223-N421 PolarHBondContact O-ND2 3.37Å; S392-N421 CarbonylContact O-C 3.59Å; V418-N421 HydrophobicContact CG1-CB 3.78Å; N421-I423 WeakPolarHBondContact OD1-CG1 3.3Å; N421-I423 PolarHBondContact OD1-N 3.46Å; N421-A424 VanDerWaalsContact CB-O 3.27Å; N421-A424 WeakPolarHBondContact CB-O 3.33Å; N421-A424 PolarHBondContact ND2-O 2.99Å; N421-A424 PolarHBondContact OD1-N 3.22Å; N421-A424 VanDerWaalsContact OD1-N 3.16Å; N421-A424 PolarHBondContact OD1-O 3.01Å; N421-A425 PolarHBondContact ND2-O 2.81Å; N421-P426 HydrophobicContact CB-CB 3.85Å
422K92.1Very high94.9Very high85 Ų8545.1 Ų45.137%0.3722%0.22SC..SBendtrans-102.85.4174.8-71.7-170172.3179.50113.1F389 S392F389-K422 PolarHBondContact O-NZ 3.03Å; S392-K422 PolarHBondContact O-N 3.43Å
423I86.8Confident94.9Very high3 Ų346.6 Ų46.62%0.01523%0.226CC..SBendtrans-116.6-17.8-178.763.2169.8000113V209 T211 A225 P229 V393 N421 N502 S505V209-I423 HydrophobicContact CG1-CB 4.17Å; V209-I423 HydrophobicContact CG1-CG2 3.84Å; T211-I423 HydrophobicContact CG2-CD1 4.3Å; A225-I423 HydrophobicContact CB-CB 4.42Å; A225-I423 HydrophobicContact CB-CD1 3.68Å; A225-I423 HydrophobicContact CB-CG1 4.07Å; P229-I423 HydrophobicContact CB-CD1 3.98Å; P229-I423 HydrophobicContact CB-CG2 3.85Å; P229-I423 HydrophobicContact CG-CD1 3.91Å; P229-I423 HydrophobicContact CG-CG2 3.95Å; V393-I423 HydrophobicContact CG2-CD1 4.34Å; V393-I423 HydrophobicContact CG2-CG1 4.36Å; N421-I423 WeakPolarHBondContact OD1-CG1 3.3Å; N421-I423 PolarHBondContact OD1-N 3.46Å; I423-N502 PolarHBondContact O-ND2 3.43Å; I423-S505 PolarHBondContact O-OG 3.23Å
424A88.2Confident94.9Very high14 Ų1444.4 Ų44.412%0.11622%0.216CC..SBendtrans-162.4-173.7173.100000109.8L223 N421 N502L223-A424 WeakPolarHBondContact O-CB 3.34Å; N421-A424 VanDerWaalsContact CB-O 3.27Å; N421-A424 WeakPolarHBondContact CB-O 3.33Å; N421-A424 PolarHBondContact ND2-O 2.99Å; N421-A424 PolarHBondContact OD1-N 3.22Å; N421-A424 VanDerWaalsContact OD1-N 3.16Å; N421-A424 PolarHBondContact OD1-O 3.01Å; A424-N502 HydrophobicContact CB-CB 4.34Å
425A85.9Confident94.8Very high51 Ų5145.9 Ų45.942%0.42122%0.223SC..  trans-56.1129.6179.500000112.2N421N421-A425 PolarHBondContact ND2-O 2.81Å
426P89.3Confident94.6Very high51 Ų5147 Ų4733%0.33123%0.228SC..SBendtrans-77.6-179.7175.131.8-34.8000112.5N421 K428N421-P426 HydrophobicContact CB-CB 3.85Å; P426-K428 PolarHBondContact O-N 2.77Å; P426-K428 VanDerWaalsContact O-N 3.08Å
427F92.6Very high94.4Very high136 Ų13648.4 Ų48.460%0.59624%0.243SC*.SBendtrans68-0.7170.4-49.3-58.8000117.6V418 V419V418-F427 VanDerWaalsContact O-CA 3.23Å; V418-F427 WeakPolarHBondContact O-CA 3.44Å; V418-F427 PolarHBondContact O-N 3.38Å; V419-F427 WeakPolarHBondContact O-CE1 3.38Å
428K94Very high94.2Very high69 Ų6948.1 Ų48.130%0.324%0.243SC..  trans-60.5155.7162.8-67.3179.7178.9178.60110.4A222 V418 P426A222-K428 HydrophobicContact CB-CB 3.95Å; A222-K428 WeakPolarHBondContact O-CB 3.27Å; A222-K428 WeakPolarHBondContact O-CD 3.43Å; V418-K428 PolarHBondContact N-O 2.87Å; P426-K428 PolarHBondContact O-N 2.77Å; P426-K428 VanDerWaalsContact O-N 3.08Å
429Q96Very high94.1Very high107 Ų10748.1 Ų48.150%0.524%0.243SC..EExtended strand (participates in β ladder)trans-132.9154.2179.367.6-177.211.300111.1V416V416-Q429 CarbonylContact O-C 3.49Å; V416-Q429 VanDerWaalsContact O-CA 3.27Å; V416-Q429 WeakPolarHBondContact O-CA 3.27Å
430A97.8Very high94.2Very high2 Ų247 Ų472%0.01724%0.236CC..EExtended strand (participates in β ladder)trans-123.4140.2177.500000109.4S218 L219 A222 R415 V416 F432S218-A430 WeakPolarHBondContact OG-CB 3.4Å; L219-A430 HydrophobicContact CB-CB 3.89Å; L219-A430 HydrophobicContact CD1-CB 4.1Å; A222-A430 HydrophobicContact CB-CB 4.15Å; R415-A430 CarbonylContact C-O 3.44Å; R415-A430 VanDerWaalsContact CA-O 3.31Å; R415-A430 WeakPolarHBondContact CA-O 3.25Å; V416-A430 PolarHBondContact N-O 2.7Å; V416-A430 PolarHBondContact O-N 2.71Å; A430-F432 HydrophobicContact CB-CD1 4.35Å; A430-F432 HydrophobicContact CB-CE1 4.43Å
431E98Very high94.2Very high88 Ų8845.6 Ų45.641%0.41123%0.231SC..EExtended strand (participates in β ladder)trans-128.2125.9176.4-67.1-174.1176.200108.5T414 R415T414-E431 WeakPolarHBondContact O-CA 3.43Å; R415-E431 HydrophobicContact CB-CG 4.25Å; R415-E431 HydrophobicContact CG-CG 4.03Å; R415-E431 IonicContact CZ-OE1 3.25Å; R415-E431 IonicContact NE-OE1 2.95Å; R415-E431 PolarHBondContact NE-OE1 3.37Å; R415-E431 IonicContact NH2-OE1 3.38Å; R415-E431 PolarHBondContact NH2-OE1 3.18Å
432F98Very high94.4Very high4 Ų446.7 Ų46.72%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-156.8172-17658-95.6000111.3S216 T414 V416 A430 I434 I440 E445S216-F432 VanDerWaalsContact OG-CD1 3.29Å; S216-F432 WeakPolarHBondContact OG-CD1 3.28Å; T414-F432 WeakPolarHBondContact CA-O 3.41Å; T414-F432 HydrophobicContact CG2-CE2 3.99Å; T414-F432 HydrophobicContact CG2-CZ 4.01Å; T414-F432 PolarHBondContact N-O 2.82Å; T414-F432 PolarHBondContact O-N 2.97Å; T414-F432 VanDerWaalsContact O-O 3.12Å; V416-F432 HydrophobicContact CB-CE1 4.33Å; V416-F432 HydrophobicContact CG2-CE1 3.57Å; V416-F432 HydrophobicContact CG2-CZ 3.63Å; A430-F432 HydrophobicContact CB-CD1 4.35Å; A430-F432 HydrophobicContact CB-CE1 4.43Å; F432-I434 HydrophobicContact CD2-CG1 4.15Å; F432-I434 HydrophobicContact CE2-CD1 4.09Å; F432-I434 HydrophobicContact CE2-CG1 3.78Å; F432-I440 HydrophobicContact CD2-CG1 4.16Å; F432-I440 HydrophobicContact CD2-CG2 3.85Å; F432-I440 HydrophobicContact CE2-CD1 3.92Å; F432-I440 HydrophobicContact CE2-CG1 3.81Å; F432-I440 HydrophobicContact CE2-CG2 4.28Å; F432-I440 HydrophobicContact CG-CG2 4.39Å; F432-I440 HydrophobicContact CZ-CD1 4.33Å; F432-E445 HydrophobicContact CB-CG 3.62Å; F432-E445 WeakPolarHBondContact CB-OE1 3.49Å
433Q97.8Very high94.6Very high36 Ų3645.6 Ų45.617%0.16823%0.229CC..EExtended strand (participates in β ladder)trans-104.5133.6-178.7-65.9177.4-25.400110.5V403 E413 I440 N441V403-Q433 HydrophobicContact CG2-CB 4.06Å; V403-Q433 HydrophobicContact CG2-CG 3.74Å; E413-Q433 WeakPolarHBondContact OE1-CG 3.31Å; E413-Q433 WeakPolarHBondContact OE2-CG 3.34Å; E413-Q433 PolarHBondContact OE2-NE2 2.8Å; Q433-I440 WeakPolarHBondContact O-CA 3.42Å; Q433-N441 HydrophobicContact CB-CB 4.11Å; Q433-N441 PolarHBondContact O-N 3.26Å
434I98Very high95.1Very high5 Ų545.5 Ų45.53%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-104.2109.1166.3-60177.6000107.6T246 G411 S412 T414 F432 G439 I440T246-I434 HydrophobicContact CG2-CD1 4.47Å; T246-I434 HydrophobicContact CG2-CG2 3.73Å; G411-I434 CarbonylContact C-O 3.54Å; G411-I434 WeakPolarHBondContact CA-O 3.48Å; S412-I434 PolarHBondContact N-O 2.96Å; S412-I434 PolarHBondContact O-N 2.99Å; T414-I434 HydrophobicContact CG2-CD1 4.03Å; T414-I434 WeakPolarHBondContact OG1-CD1 3.36Å; F432-I434 HydrophobicContact CD2-CG1 4.15Å; F432-I434 HydrophobicContact CE2-CD1 4.09Å; F432-I434 HydrophobicContact CE2-CG1 3.78Å; I434-G439 CarbonylContact C-O 3.51Å; I434-G439 WeakPolarHBondContact CA-O 3.04Å; I434-I440 HydrophobicContact CG1-CG1 4.22Å
435L96.8Very high95.6Very high31 Ų3145.2 Ų45.216%0.16222%0.224CC..EExtended strand (participates in β ladder)trans-86.8129.5175.6-57-178.8000109.6V403 G437 E438 G439 N441V403-L435 HydrophobicContact CB-CD2 4.49Å; V403-L435 HydrophobicContact CG1-CD2 4.04Å; L435-G437 PolarHBondContact O-N 3.48Å; L435-E438 HydrophobicContact CB-CB 4.2Å; L435-E438 PolarHBondContact O-N 3.29Å; L435-G439 PolarHBondContact N-O 3.24Å; L435-G439 PolarHBondContact O-N 3.09Å; L435-N441 HydrophobicContact CD1-CB 4.13Å; L435-N441 HydrophobicContact CG-CB 4.23Å
436Y95Very high96.2Very high119 Ų11942.8 Ų42.847%0.46720%0.204SC..THydrogen-bonded Turntrans-68.8120.2-175.1-56.4-35.3000110.8V409 V410 S412V409-Y436 HydrophobicContact CG1-CE2 4.17Å; V410-Y436 PolarHBondContact O-N 2.83Å; S412-Y436 PolarHBondContact OG-OH 2.77Å
437G92.6Very high96.6Very high29 Ų2940.3 Ų40.330%0.29919%0.189SC..THydrogen-bonded Turntrans85.64.5-178.800000114.9K278 L435K278-G437 WeakPolarHBondContact CB-O 3.35Å; L435-G437 PolarHBondContact O-N 3.48Å
438E94.7Very high96.8Very high85 Ų8537.4 Ų37.440%0.39718%0.179SC..THydrogen-bonded Turntrans-124.9-34.8170.7-179.2171.3-177.900111.4L435 K482L435-E438 HydrophobicContact CB-CB 4.2Å; L435-E438 PolarHBondContact O-N 3.29Å; E438-K482 IonicContact OE1-NZ 3.12Å; E438-K482 PolarHBondContact OE1-NZ 2.88Å
439G96.4Very high97Very high0 Ų035.1 Ų35.10%017%0.17CC..EExtended strand (participates in β ladder)trans102.4-146.9179.800000112.8I434 L435 N441I434-G439 CarbonylContact C-O 3.51Å; I434-G439 WeakPolarHBondContact CA-O 3.04Å; L435-G439 PolarHBondContact N-O 3.24Å; L435-G439 PolarHBondContact O-N 3.09Å; G439-N441 PolarHBondContact O-N 3.42Å
440I98Very high97Very high10 Ų1030 Ų305%0.05115%0.146CC..EExtended strand (participates in β ladder)trans-71.4128.8-178.8-65.7170.7000109G215 L247 Q250 F432 Q433 I434 F442G215-I440 WeakPolarHBondContact O-CG2 3.46Å; L247-I440 HydrophobicContact CD1-CD1 3.73Å; Q250-I440 HydrophobicContact CB-CD1 4Å; Q250-I440 HydrophobicContact CG-CB 4.46Å; Q250-I440 HydrophobicContact CG-CD1 3.89Å; Q250-I440 HydrophobicContact CG-CG1 4.01Å; F432-I440 HydrophobicContact CD2-CG1 4.16Å; F432-I440 HydrophobicContact CD2-CG2 3.85Å; F432-I440 HydrophobicContact CE2-CD1 3.92Å; F432-I440 HydrophobicContact CE2-CG1 3.81Å; F432-I440 HydrophobicContact CE2-CG2 4.28Å; F432-I440 HydrophobicContact CG-CG2 4.39Å; F432-I440 HydrophobicContact CZ-CD1 4.33Å; Q433-I440 WeakPolarHBondContact O-CA 3.42Å; I434-I440 HydrophobicContact CG1-CG1 4.22Å; I440-F442 PolarHBondContact O-N 3.1Å
441N97.1Very high97Very high17 Ų1731.9 Ų31.99%0.09116%0.157CC..  trans-77.270.9176.6-172.74000111.1Q433 L435 G439 Y443 G444 E445 T478Q433-N441 HydrophobicContact CB-CB 4.11Å; Q433-N441 PolarHBondContact O-N 3.26Å; L435-N441 HydrophobicContact CD1-CB 4.13Å; L435-N441 HydrophobicContact CG-CB 4.23Å; G439-N441 PolarHBondContact O-N 3.42Å; N441-Y443 VanDerWaalsContact C-N 3.33Å; N441-Y443 PolarHBondContact O-N 3.45Å; N441-G444 WeakPolarHBondContact O-CA 3.44Å; N441-G444 PolarHBondContact O-N 3.42Å; N441-G444 PolarHBondContact OD1-N 3.5Å; N441-E445 PolarHBondContact O-N 2.87Å; N441-E445 VanDerWaalsContact O-N 3.12Å; N441-T478 WeakPolarHBondContact OD1-CG2 3.47Å
442F97.4Very high96.9Very high38 Ų3834.9 Ų34.917%0.16717%0.169CC..Hα-helixtrans-53.3-47.2-177.8-179.3-89.7000112.6L217 I440 G444 E445 L446 E492L217-F442 HydrophobicContact CB-CD2 4.16Å; L217-F442 HydrophobicContact CB-CE2 3.68Å; L217-F442 HydrophobicContact CB-CZ 4.15Å; L217-F442 HydrophobicContact CD2-CZ 4.46Å; I440-F442 PolarHBondContact O-N 3.1Å; F442-G444 VanDerWaalsContact C-N 3.27Å; F442-G444 PolarHBondContact O-N 3.22Å; F442-E445 WeakPolarHBondContact O-CB 3.44Å; F442-E445 PolarHBondContact O-N 3.27Å; F442-E445 VanDerWaalsContact O-N 3.16Å; F442-L446 PolarHBondContact O-N 3.24Å; F442-E492 HydrophobicContact CZ-CG 4.23Å
443Y97.3Very high96.9Very high63 Ų6337.2 Ų37.225%0.24718%0.18CC..Hα-helixtrans-67.2-30178.5-64.2-72.5000112N441 L446 V447 L481 K482 A488N441-Y443 VanDerWaalsContact C-N 3.33Å; N441-Y443 PolarHBondContact O-N 3.45Å; Y443-L446 HydrophobicContact CD1-CD2 4.43Å; Y443-L446 PolarHBondContact O-N 3.14Å; Y443-V447 WeakPolarHBondContact O-CG2 3.15Å; Y443-V447 PolarHBondContact O-N 3.19Å; Y443-L481 HydrophobicContact CD1-CB 3.84Å; Y443-L481 HydrophobicContact CG-CB 4.47Å; Y443-K482 HydrophobicContact CD2-CB 4.05Å; Y443-K482 HydrophobicContact CD2-CD 4.43Å; Y443-K482 HydrophobicContact CD2-CG 4.1Å; Y443-K482 HydrophobicContact CE2-CB 4.1Å; Y443-K482 HydrophobicContact CE2-CD 4.48Å; Y443-K482 HydrophobicContact CE2-CG 3.85Å; Y443-K482 HydrophobicContact CG-CB 4.44Å; Y443-A488 HydrophobicContact CD1-CB 4.18Å; Y443-A488 HydrophobicContact CE1-CB 3.71Å
444G97.2Very high96.8Very high1 Ų144.5 Ų44.51%0.0121%0.211CC..Hα-helixtrans-62.3-41.3171.200000112.6N441 F442 D448 K474N441-G444 WeakPolarHBondContact O-CA 3.44Å; N441-G444 PolarHBondContact O-N 3.42Å; N441-G444 PolarHBondContact OD1-N 3.5Å; F442-G444 VanDerWaalsContact C-N 3.27Å; F442-G444 PolarHBondContact O-N 3.22Å; G444-D448 PolarHBondContact O-N 3.28Å; G444-K474 VanDerWaalsContact O-CE 3.29Å; G444-K474 WeakPolarHBondContact O-CE 3.46Å
445E97.7Very high96.8Very high7 Ų746 Ų463%0.03322%0.219CC..Hα-helixtrans-65.9-43.1173-60.6175.592.100111.4S216 L217 S218 F432 N441 F442 V447 D448 L449S216-E445 VanDerWaalsContact CA-OE2 3.28Å; S216-E445 WeakPolarHBondContact CA-OE2 3.39Å; S216-E445 PolarHBondContact OG-OE1 2.78Å; S216-E445 PolarHBondContact OG-OE2 3.18Å; L217-E445 HydrophobicContact CB-CB 4.47Å; L217-E445 PolarHBondContact N-OE1 3.38Å; L217-E445 PolarHBondContact N-OE2 3.31Å; L217-E445 VanDerWaalsContact N-OE2 3.16Å; S218-E445 WeakPolarHBondContact CB-OE1 3.24Å; S218-E445 PolarHBondContact N-OE1 3.14Å; S218-E445 PolarHBondContact OG-OE1 2.59Å; F432-E445 HydrophobicContact CB-CG 3.62Å; F432-E445 WeakPolarHBondContact CB-OE1 3.49Å; N441-E445 PolarHBondContact O-N 2.87Å; N441-E445 VanDerWaalsContact O-N 3.12Å; F442-E445 WeakPolarHBondContact O-CB 3.44Å; F442-E445 PolarHBondContact O-N 3.27Å; F442-E445 VanDerWaalsContact O-N 3.16Å; E445-V447 VanDerWaalsContact C-N 3.29Å; E445-V447 PolarHBondContact O-N 3.34Å; E445-D448 PolarHBondContact O-N 3.47Å; E445-D448 VanDerWaalsContact O-N 3.13Å; E445-L449 WeakPolarHBondContact O-CB 3.47Å; E445-L449 WeakPolarHBondContact O-CG 3.34Å; E445-L449 PolarHBondContact O-N 2.78Å
446L98Very high96.8Very high0 Ų044.6 Ų44.60%021%0.212CC..Hα-helixtrans-60.8-37.9179.5-172.663.2000112.1L217 F442 Y443 G450 L481 A488 I491 E492 V495L217-L446 HydrophobicContact CD2-CB 4.37Å; L217-L446 HydrophobicContact CD2-CD1 3.57Å; F442-L446 PolarHBondContact O-N 3.24Å; Y443-L446 HydrophobicContact CD1-CD2 4.43Å; Y443-L446 PolarHBondContact O-N 3.14Å; L446-G450 WeakPolarHBondContact O-CA 3.3Å; L446-G450 PolarHBondContact O-N 3.1Å; L446-L481 HydrophobicContact CD2-CD1 4.18Å; L446-L481 HydrophobicContact CG-CD1 4.3Å; L446-A488 HydrophobicContact CD2-CB 3.89Å; L446-I491 HydrophobicContact CD1-CB 4.29Å; L446-I491 HydrophobicContact CD1-CG2 3.77Å; L446-I491 HydrophobicContact CG-CG2 4.13Å; L446-E492 HydrophobicContact CD1-CB 4Å; L446-V495 HydrophobicContact CD1-CG2 4.41Å
447V98Very high96.9Very high0 Ų044.6 Ų44.60%022%0.216CC..Hα-helixtrans-60.9-50.9171.9172.10000111Y443 E445 G450 V451 Y463 K474 A477 L481Y443-V447 WeakPolarHBondContact O-CG2 3.15Å; Y443-V447 PolarHBondContact O-N 3.19Å; E445-V447 VanDerWaalsContact C-N 3.29Å; E445-V447 PolarHBondContact O-N 3.34Å; V447-G450 PolarHBondContact O-N 3.49Å; V447-V451 WeakPolarHBondContact O-CG2 3.48Å; V447-V451 PolarHBondContact O-N 3.47Å; V447-Y463 HydrophobicContact CG1-CD1 3.77Å; V447-Y463 HydrophobicContact CG1-CE1 3.44Å; V447-Y463 VanDerWaalsContact CG1-CE1 3.44Å; V447-K474 HydrophobicContact CG1-CG 4.2Å; V447-A477 HydrophobicContact CG1-CB 4.24Å; V447-A477 HydrophobicContact CG2-CB 3.97Å; V447-L481 HydrophobicContact CG2-CD1 3.52Å
448D97.2Very high97.1Very high74 Ų7448.9 Ų48.940%0.39623%0.226SC..Hα-helixtrans-65.6-44-175.7-72.1-13.9000112G444 E445 V451 K452 K474G444-D448 PolarHBondContact O-N 3.28Å; E445-D448 PolarHBondContact O-N 3.47Å; E445-D448 VanDerWaalsContact O-N 3.13Å; D448-V451 PolarHBondContact O-N 3.33Å; D448-K452 WeakPolarHBondContact O-CB 3.48Å; D448-K452 PolarHBondContact O-N 3.05Å; D448-K474 WeakPolarHBondContact OD1-CD 3.38Å; D448-K474 VanDerWaalsContact OD1-CE 3.22Å; D448-K474 WeakPolarHBondContact OD1-CE 3.35Å; D448-K474 IonicContact OD1-NZ 2.68Å; D448-K474 PolarHBondContact OD1-NZ 2.84Å; D448-K474 WeakPolarHBondContact OD2-CE 3.46Å; D448-K474 IonicContact OD2-NZ 2.74Å; D448-K474 PolarHBondContact OD2-NZ 3.41Å
449L97.1Very high97.2Very high21 Ų2148.3 Ų48.311%0.1124%0.236CC..Hα-helixtrans-65.1-43175.7-71.8165.3000111.1L217 I221 E445 V451 K452 E453 V495 L499L217-L449 HydrophobicContact CB-CD1 4.3Å; L217-L449 HydrophobicContact CD2-CD1 3.76Å; L217-L449 HydrophobicContact CG-CD1 3.76Å; I221-L449 HydrophobicContact CD1-CD1 3.63Å; I221-L449 HydrophobicContact CD1-CD2 4.15Å; E445-L449 WeakPolarHBondContact O-CB 3.47Å; E445-L449 WeakPolarHBondContact O-CG 3.34Å; E445-L449 PolarHBondContact O-N 2.78Å; L449-V451 VanDerWaalsContact C-N 3.3Å; L449-V451 PolarHBondContact O-N 3.45Å; L449-K452 PolarHBondContact O-N 3.3Å; L449-E453 WeakPolarHBondContact O-CB 3.45Å; L449-E453 WeakPolarHBondContact O-CG 3.41Å; L449-E453 PolarHBondContact O-N 2.87Å; L449-V495 HydrophobicContact CB-CG1 3.96Å; L449-V495 HydrophobicContact CB-CG2 4.39Å; L449-V495 HydrophobicContact CD1-CG1 4.13Å; L449-V495 HydrophobicContact CG-CG1 4.5Å; L449-L499 HydrophobicContact CD2-CD1 3.89Å
450G97.6Very high97.1Very high0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-59.7-40175.700000112.5L446 V447 K454 L455 I456L446-G450 WeakPolarHBondContact O-CA 3.3Å; L446-G450 PolarHBondContact O-N 3.1Å; V447-G450 PolarHBondContact O-N 3.49Å; G450-K454 PolarHBondContact O-N 2.84Å; G450-L455 PolarHBondContact O-N 3.27Å; G450-I456 PolarHBondContact O-N 3.29Å
451V97.5Very high97Very high42 Ų4253.4 Ų53.426%0.25529%0.286SS..Hα-helixtrans-68.1-45.8174.3170.30000111.8V447 D448 L449 E453 K454 I456 K458 Y463V447-V451 WeakPolarHBondContact O-CG2 3.48Å; V447-V451 PolarHBondContact O-N 3.47Å; D448-V451 PolarHBondContact O-N 3.33Å; L449-V451 VanDerWaalsContact C-N 3.3Å; L449-V451 PolarHBondContact O-N 3.45Å; V451-E453 VanDerWaalsContact C-N 3.33Å; V451-E453 PolarHBondContact O-N 3.25Å; V451-K454 PolarHBondContact O-N 3.01Å; V451-I456 WeakPolarHBondContact CA-O 3.34Å; V451-I456 HydrophobicContact CG2-CB 4.01Å; V451-I456 HydrophobicContact CG2-CG2 3.97Å; V451-K458 HydrophobicContact CG1-CB 4.11Å; V451-K458 HydrophobicContact CG1-CD 4.34Å; V451-K458 HydrophobicContact CG2-CB 4.29Å; V451-Y463 HydrophobicContact CG2-CD1 3.77Å; V451-Y463 HydrophobicContact CG2-CE1 3.56Å
452K96.6Very high97Very high150 Ų15057.2 Ų57.265%0.65230%0.299SS*.Hα-helixtrans-60.2-43-179.5-175.6-175.5169.7-172.50111.9D448 L449 K454D448-K452 WeakPolarHBondContact O-CB 3.48Å; D448-K452 PolarHBondContact O-N 3.05Å; L449-K452 PolarHBondContact O-N 3.3Å; K452-K454 VanDerWaalsContact C-N 3.27Å; K452-K454 PolarHBondContact O-N 2.94Å
453E96.6Very high97Very high53 Ų5356 Ų5625%0.24829%0.294CS..THydrogen-bonded Turntrans-88.311.4-179.7-56.4-48.5132.900113.4L449 V451 L455 L498 L499L449-E453 WeakPolarHBondContact O-CB 3.45Å; L449-E453 WeakPolarHBondContact O-CG 3.41Å; L449-E453 PolarHBondContact O-N 2.87Å; V451-E453 VanDerWaalsContact C-N 3.33Å; V451-E453 PolarHBondContact O-N 3.25Å; E453-L455 PolarHBondContact O-N 3.17Å; E453-L498 HydrophobicContact CB-CD1 4.2Å; E453-L499 HydrophobicContact CG-CD1 3.85Å; E453-L499 HydrophobicContact CG-CD2 4.34Å; E453-L499 HydrophobicContact CG-CG 4.19Å
454K96.6Very high97.1Very high189 Ų18953.8 Ų53.882%0.82229%0.287SS*.THydrogen-bonded Turntrans58.825.3176.6-51.9178.4-179.9176.40114.6G450 V451 K452G450-K454 PolarHBondContact O-N 2.84Å; V451-K454 PolarHBondContact O-N 3.01Å; K452-K454 VanDerWaalsContact C-N 3.27Å; K452-K454 PolarHBondContact O-N 2.94Å
455L96.7Very high97.1Very high37 Ų3754.4 Ų54.419%0.19429%0.289CS..SBendtrans-82.8-32.2170.2-65.1173.1000111.5G450 E453 Y465 I491 K494 V495 L498G450-L455 PolarHBondContact O-N 3.27Å; E453-L455 PolarHBondContact O-N 3.17Å; L455-Y465 VanDerWaalsContact O-CD2 3.28Å; L455-Y465 WeakPolarHBondContact O-CD2 3.39Å; L455-I491 HydrophobicContact CD1-CG2 4.31Å; L455-K494 HydrophobicContact CD1-CB 3.78Å; L455-K494 HydrophobicContact CD2-CB 4.31Å; L455-K494 HydrophobicContact CD2-CD 4.11Å; L455-V495 HydrophobicContact CD1-CG2 3.62Å; L455-L498 HydrophobicContact CD1-CD1 4.39Å
456I97.6Very high97Very high2 Ų260.9 Ų60.91%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-112.8125.4173.4-58.9173.7000107.8G450 V451 Y463 S464 Y465 I470 I491G450-I456 PolarHBondContact O-N 3.29Å; V451-I456 WeakPolarHBondContact CA-O 3.34Å; V451-I456 HydrophobicContact CG2-CB 4.01Å; V451-I456 HydrophobicContact CG2-CG2 3.97Å; I456-Y463 HydrophobicContact CG2-CD1 3.98Å; I456-S464 CarbonylContact C-O 3.57Å; I456-S464 WeakPolarHBondContact CA-O 3.47Å; I456-S464 WeakPolarHBondContact CG2-O 3.49Å; I456-Y465 HydrophobicContact CG1-CD2 4.46Å; I456-I470 HydrophobicContact CD1-CD1 4.47Å; I456-I470 HydrophobicContact CG2-CD1 4.05Å; I456-I491 HydrophobicContact CD1-CD1 4.3Å; I456-I491 HydrophobicContact CG1-CD1 4.34Å
457E97.5Very high96.8Very high119 Ų11963.7 Ų63.756%0.55635%0.346SS*.EExtended strand (participates in β ladder)trans-82.5137.2176.9-66.4175.9-173.200110.3Y463 S464E457-Y463 CarbonylContact O-C 3.52Å; E457-Y463 VanDerWaalsContact O-CA 3.3Å; E457-Y463 WeakPolarHBondContact O-CA 3.28Å; E457-S464 PolarHBondContact N-O 3.34Å; E457-S464 PolarHBondContact O-N 3.06Å
458K97.2Very high96.7Very high118 Ų11869.4 Ų69.451%0.51337%0.373SS..EExtended strand (participates in β ladder)trans-120.5109175.2-175.3179.8176.21750110.6V451 G460 W462 Y463V451-K458 HydrophobicContact CG1-CB 4.11Å; V451-K458 HydrophobicContact CG1-CD 4.34Å; V451-K458 HydrophobicContact CG2-CB 4.29Å; K458-G460 WeakPolarHBondContact CE-O 3.48Å; K458-W462 CarbonylContact C-O 3.59Å; K458-W462 WeakPolarHBondContact CA-O 3.32Å; K458-Y463 HydrophobicContact CD-CE1 4.21Å; K458-Y463 HydrophobicContact CD-CE2 4.33Å; K458-Y463 HydrophobicContact CG-CE1 4.45Å; K458-Y463 HydrophobicContact CG-CE2 4.32Å; K458-Y463 PolarHBondContact NZ-OH 2.82Å
459A95.8Very high96.6Very high73 Ų7372.2 Ų72.260%0.60338%0.382SS*.EExtended strand (participates in β ladder)trans-110.894.417600000110A461 W462A459-A461 PolarHBondContact O-N 3.23Å; A459-W462 PolarHBondContact N-O 3.1Å; A459-W462 PolarHBondContact O-N 3.22Å
460G94.7Very high96.6Very high65 Ų6571.5 Ų71.567%0.6738%0.378SS*.THydrogen-bonded Turntrans64.7-115.2-172.500000111.3K458K458-G460 WeakPolarHBondContact CE-O 3.48Å
461A95.5Very high96.6Very high52 Ų5272 Ų7243%0.4338%0.382SS..THydrogen-bonded Turntrans-90.2-9.3175.300000113.5A459 Q472 G473A459-A461 PolarHBondContact O-N 3.23Å; A461-Q472 HydrophobicContact CB-CG 4.11Å; A461-Q472 CarbonylContact O-C 3.41Å; A461-G473 PolarHBondContact O-N 3.16Å
462W97.2Very high96.5Very high97 Ų9774.9 Ų74.937%0.36739%0.394SS..EExtended strand (participates in β ladder)trans-90.7136.2-177.1-77.397000112K458 A459 K469 Q472K458-W462 CarbonylContact C-O 3.59Å; K458-W462 WeakPolarHBondContact CA-O 3.32Å; A459-W462 PolarHBondContact N-O 3.1Å; A459-W462 PolarHBondContact O-N 3.22Å; W462-K469 HydrophobicContact CD2-CD 4.31Å; W462-K469 HydrophobicContact CE3-CB 4.21Å; W462-K469 HydrophobicContact CE3-CD 3.88Å; W462-K469 HydrophobicContact CE3-CG 4.31Å; W462-K469 HydrophobicContact CZ3-CB 4.27Å; W462-K469 HydrophobicContact CZ3-CD 4.07Å; W462-Q472 HydrophobicContact CD2-CB 4.02Å; W462-Q472 HydrophobicContact CD2-CG 4.29Å; W462-Q472 HydrophobicContact CE3-CB 4.01Å; W462-Q472 HydrophobicContact CH2-CB 3.94Å; W462-Q472 HydrophobicContact CZ2-CB 3.94Å; W462-Q472 HydrophobicContact CZ2-CG 4.27Å; W462-Q472 HydrophobicContact CZ3-CB 3.97Å
463Y98.3Very high96.5Very high14 Ų1469 Ų696%0.05538%0.375CS..EExtended strand (participates in β ladder)trans-109.4135.8174-70.2-111.3000108.9V447 V451 I456 E457 K458 I470 G471 A477V447-Y463 HydrophobicContact CG1-CD1 3.77Å; V447-Y463 HydrophobicContact CG1-CE1 3.44Å; V447-Y463 VanDerWaalsContact CG1-CE1 3.44Å; V451-Y463 HydrophobicContact CG2-CD1 3.77Å; V451-Y463 HydrophobicContact CG2-CE1 3.56Å; I456-Y463 HydrophobicContact CG2-CD1 3.98Å; E457-Y463 CarbonylContact O-C 3.52Å; E457-Y463 VanDerWaalsContact O-CA 3.3Å; E457-Y463 WeakPolarHBondContact O-CA 3.28Å; K458-Y463 HydrophobicContact CD-CE1 4.21Å; K458-Y463 HydrophobicContact CD-CE2 4.33Å; K458-Y463 HydrophobicContact CG-CE1 4.45Å; K458-Y463 HydrophobicContact CG-CE2 4.32Å; K458-Y463 PolarHBondContact NZ-OH 2.82Å; Y463-I470 WeakPolarHBondContact O-CG1 3.45Å; Y463-I470 PolarHBondContact O-N 3.3Å; Y463-G471 PolarHBondContact N-O 3.22Å; Y463-G471 PolarHBondContact O-N 2.91Å; Y463-A477 HydrophobicContact CD1-CB 4.18Å; Y463-A477 HydrophobicContact CD2-CB 4.42Å; Y463-A477 HydrophobicContact CG-CB 3.94Å
464S97.9Very high96.3Very high15 Ų1569.1 Ų69.111%0.10538%0.375CS..EExtended strand (participates in β ladder)trans-136145.4180-500000111.7I456 E457 E468I456-S464 CarbonylContact C-O 3.57Å; I456-S464 WeakPolarHBondContact CA-O 3.47Å; I456-S464 WeakPolarHBondContact CG2-O 3.49Å; E457-S464 PolarHBondContact N-O 3.34Å; E457-S464 PolarHBondContact O-N 3.06Å; S464-E468 CarbonylContact C-O 3.45Å; S464-E468 WeakPolarHBondContact CA-O 3.18Å; S464-E468 VanDerWaalsContact CB-O 3.26Å; S464-E468 WeakPolarHBondContact CB-O 3.44Å
465Y97.6Very high96.1Very high15 Ų1563.8 Ų63.86%0.05937%0.366CS..EExtended strand (participates in β ladder)trans-123.6123.8174.6-179.4-115.1000108.9L455 I456 G467 E468 T487 E490 I491L455-Y465 VanDerWaalsContact O-CD2 3.28Å; L455-Y465 WeakPolarHBondContact O-CD2 3.39Å; I456-Y465 HydrophobicContact CG1-CD2 4.46Å; Y465-G467 PolarHBondContact O-N 2.96Å; Y465-G467 VanDerWaalsContact O-N 3.13Å; Y465-E468 PolarHBondContact N-O 2.91Å; Y465-E468 PolarHBondContact O-N 3.13Å; Y465-T487 HydrophobicContact CD1-CG2 3.6Å; Y465-T487 HydrophobicContact CE1-CG2 3.39Å; Y465-E490 PolarHBondContact OH-OE1 2.89Å; Y465-E490 VanDerWaalsContact OH-OE1 3.13Å; Y465-E490 PolarHBondContact OH-OE2 3.48Å; Y465-I491 HydrophobicContact CD2-CD1 3.82Å; Y465-I491 HydrophobicContact CD2-CG1 4.14Å; Y465-I491 HydrophobicContact CE1-CD1 4.44Å; Y465-I491 HydrophobicContact CE1-CG1 4.46Å; Y465-I491 HydrophobicContact CE2-CD1 3.78Å; Y465-I491 HydrophobicContact CE2-CG1 3.56Å; Y465-I491 HydrophobicContact CG-CD1 4.2Å
466K95.7Very high96.1Very high142 Ų14266.5 Ų66.562%0.61738%0.381SS*.THydrogen-bonded Turntrans49.737.7-176.1-62.7175.8176.1166.10113.5E468 E490K466-E468 VanDerWaalsContact C-N 3.29Å; K466-E468 PolarHBondContact O-N 3.18Å; K466-E490 IonicContact NZ-OE1 3.63Å; K466-E490 PolarHBondContact NZ-OE1 3.13Å; K466-E490 IonicContact NZ-OE2 3.62Å; K466-E490 PolarHBondContact NZ-OE2 2.63Å
467G93.8Very high96.1Very high59 Ų5966.4 Ų66.461%0.60838%0.38SS*.THydrogen-bonded Turntrans82.5-12-178.800000115.7Y465Y465-G467 PolarHBondContact O-N 2.96Å; Y465-G467 VanDerWaalsContact O-N 3.13Å
468E95.6Very high96Very high121 Ų12161.5 Ų61.557%0.56536%0.358SS*.EExtended strand (participates in β ladder)trans-83.3133.2174-171.5-174.2165.700110.5S464 Y465 K466 I470S464-E468 CarbonylContact C-O 3.45Å; S464-E468 WeakPolarHBondContact CA-O 3.18Å; S464-E468 VanDerWaalsContact CB-O 3.26Å; S464-E468 WeakPolarHBondContact CB-O 3.44Å; Y465-E468 PolarHBondContact N-O 2.91Å; Y465-E468 PolarHBondContact O-N 3.13Å; K466-E468 VanDerWaalsContact C-N 3.29Å; K466-E468 PolarHBondContact O-N 3.18Å; E468-I470 PolarHBondContact O-N 2.62Å
469K96.2Very high96Very high132 Ų13258 Ų5857%0.57435%0.352SS*.EExtended strand (participates in β ladder)trans-75.3116.4176.6-69.8-176.7176.8-176.20110.3W462W462-K469 HydrophobicContact CD2-CD 4.31Å; W462-K469 HydrophobicContact CE3-CB 4.21Å; W462-K469 HydrophobicContact CE3-CD 3.88Å; W462-K469 HydrophobicContact CE3-CG 4.31Å; W462-K469 HydrophobicContact CZ3-CB 4.27Å; W462-K469 HydrophobicContact CZ3-CD 4.07Å
470I97.4Very high96.1Very high7 Ų756.9 Ų56.94%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-95.6-18.5-178.564.5170.1000113.2I456 Y463 E468 A477 W480I456-I470 HydrophobicContact CD1-CD1 4.47Å; I456-I470 HydrophobicContact CG2-CD1 4.05Å; Y463-I470 WeakPolarHBondContact O-CG1 3.45Å; Y463-I470 PolarHBondContact O-N 3.3Å; E468-I470 PolarHBondContact O-N 2.62Å; I470-A477 HydrophobicContact CD1-CB 4.17Å; I470-A477 HydrophobicContact CG1-CB 4.34Å; I470-W480 HydrophobicContact CB-CB 4.46Å; I470-W480 HydrophobicContact CB-CD2 3.65Å; I470-W480 HydrophobicContact CB-CE3 3.79Å; I470-W480 HydrophobicContact CB-CG 3.94Å; I470-W480 HydrophobicContact CB-CZ3 4.32Å; I470-W480 HydrophobicContact CD1-CE3 4.43Å; I470-W480 HydrophobicContact CG2-CD2 3.78Å; I470-W480 HydrophobicContact CG2-CE3 3.73Å; I470-W480 HydrophobicContact CG2-CH2 3.77Å; I470-W480 HydrophobicContact CG2-CZ2 3.79Å; I470-W480 HydrophobicContact CG2-CZ3 3.73Å; I470-W480 WeakPolarHBondContact O-CB 3.25Å; I470-W480 VanDerWaalsContact O-CG 3.32Å
471G96.3Very high96.3Very high9 Ų953.8 Ų53.89%0.09330%0.3CS..EExtended strand (participates in β ladder)trans170.2156175.900000114.8Y463Y463-G471 PolarHBondContact N-O 3.22Å; Y463-G471 PolarHBondContact O-N 2.91Å
472Q96.6Very high96.3Very high104 Ų10456 Ų5649%0.48630%0.3SS..EExtended strand (participates in β ladder)trans-97.1113.7169.4-171.7-179.95.600109.6A461 W462 N476A461-Q472 HydrophobicContact CB-CG 4.11Å; A461-Q472 CarbonylContact O-C 3.41Å; W462-Q472 HydrophobicContact CD2-CB 4.02Å; W462-Q472 HydrophobicContact CD2-CG 4.29Å; W462-Q472 HydrophobicContact CE3-CB 4.01Å; W462-Q472 HydrophobicContact CH2-CB 3.94Å; W462-Q472 HydrophobicContact CZ2-CB 3.94Å; W462-Q472 HydrophobicContact CZ2-CG 4.27Å; W462-Q472 HydrophobicContact CZ3-CB 3.97Å; Q472-N476 WeakPolarHBondContact O-CB 3.44Å; Q472-N476 PolarHBondContact O-ND2 3.48Å
473G94.7Very high96.3Very high25 Ų2557.5 Ų57.526%0.25832%0.315SS..SBendtrans86.6157-174.800000113A461 A475 N476 A477A461-G473 PolarHBondContact O-N 3.16Å; G473-A475 VanDerWaalsContact C-N 3.33Å; G473-A475 PolarHBondContact O-N 3.38Å; G473-N476 PolarHBondContact O-N 3.18Å; G473-A477 PolarHBondContact O-N 3.13Å
474K93.8Very high96.2Very high56 Ų5659.6 Ų59.624%0.24333%0.327CS..Hα-helixtrans-57.8-43.2-177.6-177.2176.8175.1179.70112G444 V447 D448 N476 A477 T478G444-K474 VanDerWaalsContact O-CE 3.29Å; G444-K474 WeakPolarHBondContact O-CE 3.46Å; V447-K474 HydrophobicContact CG1-CG 4.2Å; D448-K474 WeakPolarHBondContact OD1-CD 3.38Å; D448-K474 VanDerWaalsContact OD1-CE 3.22Å; D448-K474 WeakPolarHBondContact OD1-CE 3.35Å; D448-K474 IonicContact OD1-NZ 2.68Å; D448-K474 PolarHBondContact OD1-NZ 2.84Å; D448-K474 WeakPolarHBondContact OD2-CE 3.46Å; D448-K474 IonicContact OD2-NZ 2.74Å; D448-K474 PolarHBondContact OD2-NZ 3.41Å; K474-N476 PolarHBondContact O-N 2.99Å; K474-A477 PolarHBondContact O-N 3.28Å; K474-T478 WeakPolarHBondContact O-CB 3.3Å; K474-T478 PolarHBondContact O-N 2.9Å; K474-T478 PolarHBondContact O-OG1 2.91Å
475A92.5Very high96.1Very high78 Ų7861.7 Ų61.765%0.64534%0.34SS*.Hα-helixtrans-57.5-45.6-179.700000113G473 T478 A479G473-A475 VanDerWaalsContact C-N 3.33Å; G473-A475 PolarHBondContact O-N 3.38Å; A475-T478 WeakPolarHBondContact O-CB 3.43Å; A475-T478 PolarHBondContact O-N 2.97Å; A475-A479 PolarHBondContact O-N 3.05Å
476N95.8Very high96.1Very high93 Ų9367.7 Ų67.750%0.49737%0.369SS..Hα-helixtrans-69.9-37.6178.5-72.6-31.2000112.2Q472 G473 K474 T478 A479 W480Q472-N476 WeakPolarHBondContact O-CB 3.44Å; Q472-N476 PolarHBondContact O-ND2 3.48Å; G473-N476 PolarHBondContact O-N 3.18Å; K474-N476 PolarHBondContact O-N 2.99Å; N476-T478 VanDerWaalsContact C-N 3.33Å; N476-A479 PolarHBondContact O-N 2.76Å; N476-W480 WeakPolarHBondContact O-CB 3.29Å; N476-W480 PolarHBondContact O-N 2.95Å
477A97.4Very high96.1Very high0 Ų062.5 Ų62.50%035%0.349CS..Hα-helixtrans-64-38.9173.800000111.9V447 Y463 I470 G473 K474 W480 L481V447-A477 HydrophobicContact CG1-CB 4.24Å; V447-A477 HydrophobicContact CG2-CB 3.97Å; Y463-A477 HydrophobicContact CD1-CB 4.18Å; Y463-A477 HydrophobicContact CD2-CB 4.42Å; Y463-A477 HydrophobicContact CG-CB 3.94Å; I470-A477 HydrophobicContact CD1-CB 4.17Å; I470-A477 HydrophobicContact CG1-CB 4.34Å; G473-A477 PolarHBondContact O-N 3.13Å; K474-A477 PolarHBondContact O-N 3.28Å; A477-W480 PolarHBondContact O-N 3.43Å; A477-L481 PolarHBondContact O-N 3.41Å; A477-L481 VanDerWaalsContact O-N 3.08Å
478T96.8Very high96.3Very high16 Ų1659.9 Ų59.910%0.09832%0.322CS..Hα-helixtrans-62.9-47.8174.1-63.20000111.4N441 K474 A475 N476 W480 L481 K482N441-T478 WeakPolarHBondContact OD1-CG2 3.47Å; K474-T478 WeakPolarHBondContact O-CB 3.3Å; K474-T478 PolarHBondContact O-N 2.9Å; K474-T478 PolarHBondContact O-OG1 2.91Å; A475-T478 WeakPolarHBondContact O-CB 3.43Å; A475-T478 PolarHBondContact O-N 2.97Å; N476-T478 VanDerWaalsContact C-N 3.33Å; T478-W480 PolarHBondContact O-N 3.22Å; T478-L481 PolarHBondContact O-N 3.35Å; T478-K482 PolarHBondContact O-N 3.29Å; T478-K482 VanDerWaalsContact O-N 3.08Å
479A96.7Very high96.3Very high45 Ų4560 Ų6037%0.37232%0.32SS..Hα-helixtrans-60.8-43.9176.600000111.8A475 N476 L481 K482 D483A475-A479 PolarHBondContact O-N 3.05Å; N476-A479 PolarHBondContact O-N 2.76Å; A479-L481 VanDerWaalsContact C-N 3.35Å; A479-L481 PolarHBondContact O-N 3.24Å; A479-K482 WeakPolarHBondContact O-CB 3.44Å; A479-K482 PolarHBondContact O-N 2.87Å; A479-K482 VanDerWaalsContact O-N 3.1Å; A479-D483 PolarHBondContact O-N 3.18Å
480W98.3Very high96.3Very high49 Ų4956.7 Ų56.719%0.18631%0.307CS..Hα-helixtrans-60.4-41.8177.4-173.796000112.5I470 N476 A477 T478 K482 D483 N484 T487I470-W480 HydrophobicContact CB-CB 4.46Å; I470-W480 HydrophobicContact CB-CD2 3.65Å; I470-W480 HydrophobicContact CB-CE3 3.79Å; I470-W480 HydrophobicContact CB-CG 3.94Å; I470-W480 HydrophobicContact CB-CZ3 4.32Å; I470-W480 HydrophobicContact CD1-CE3 4.43Å; I470-W480 HydrophobicContact CG2-CD2 3.78Å; I470-W480 HydrophobicContact CG2-CE3 3.73Å; I470-W480 HydrophobicContact CG2-CH2 3.77Å; I470-W480 HydrophobicContact CG2-CZ2 3.79Å; I470-W480 HydrophobicContact CG2-CZ3 3.73Å; I470-W480 WeakPolarHBondContact O-CB 3.25Å; I470-W480 VanDerWaalsContact O-CG 3.32Å; N476-W480 WeakPolarHBondContact O-CB 3.29Å; N476-W480 PolarHBondContact O-N 2.95Å; A477-W480 PolarHBondContact O-N 3.43Å; T478-W480 PolarHBondContact O-N 3.22Å; W480-K482 VanDerWaalsContact C-N 3.31Å; W480-K482 PolarHBondContact O-N 2.91Å; W480-D483 CarbonylContact O-C 3.57Å; W480-D483 PolarHBondContact O-N 3.03Å; W480-N484 HydrophobicContact CE3-CB 4.3Å; W480-N484 HydrophobicContact CH2-CB 4.15Å; W480-N484 HydrophobicContact CZ2-CB 4.38Å; W480-N484 HydrophobicContact CZ3-CB 4.11Å; W480-N484 WeakPolarHBondContact O-CB 3.37Å; W480-N484 PolarHBondContact O-N 3.44Å; W480-N484 PolarHBondContact O-ND2 3.1Å; W480-T487 HydrophobicContact CH2-CG2 3.88Å; W480-T487 HydrophobicContact CZ3-CG2 3.83Å
481L97.7Very high96.3Very high0 Ų056.4 Ų56.40%031%0.305CS..Hα-helixtrans-66-34.4175.6-74.3171.3000112.5Y443 L446 V447 A477 T478 A479 D483 N484 A488 I491Y443-L481 HydrophobicContact CD1-CB 3.84Å; Y443-L481 HydrophobicContact CG-CB 4.47Å; L446-L481 HydrophobicContact CD2-CD1 4.18Å; L446-L481 HydrophobicContact CG-CD1 4.3Å; V447-L481 HydrophobicContact CG2-CD1 3.52Å; A477-L481 PolarHBondContact O-N 3.41Å; A477-L481 VanDerWaalsContact O-N 3.08Å; T478-L481 PolarHBondContact O-N 3.35Å; A479-L481 VanDerWaalsContact C-N 3.35Å; A479-L481 PolarHBondContact O-N 3.24Å; L481-D483 VanDerWaalsContact C-N 3.32Å; L481-N484 CarbonylContact O-C 3.53Å; L481-N484 PolarHBondContact O-N 3.09Å; L481-A488 HydrophobicContact CB-CB 4.43Å; L481-A488 HydrophobicContact CD2-CB 4.24Å; L481-I491 HydrophobicContact CD2-CD1 3.78Å
482K95.6Very high96.4Very high100 Ų10058 Ų5844%0.43531%0.31SS..Hα-helixtrans-65.2-37.4174.2-165.5171.3-1771760111.5E438 Y443 T478 A479 W480 N484E438-K482 IonicContact OE1-NZ 3.12Å; E438-K482 PolarHBondContact OE1-NZ 2.88Å; Y443-K482 HydrophobicContact CD2-CB 4.05Å; Y443-K482 HydrophobicContact CD2-CD 4.43Å; Y443-K482 HydrophobicContact CD2-CG 4.1Å; Y443-K482 HydrophobicContact CE2-CB 4.1Å; Y443-K482 HydrophobicContact CE2-CD 4.48Å; Y443-K482 HydrophobicContact CE2-CG 3.85Å; Y443-K482 HydrophobicContact CG-CB 4.44Å; T478-K482 PolarHBondContact O-N 3.29Å; T478-K482 VanDerWaalsContact O-N 3.08Å; A479-K482 WeakPolarHBondContact O-CB 3.44Å; A479-K482 PolarHBondContact O-N 2.87Å; A479-K482 VanDerWaalsContact O-N 3.1Å; W480-K482 VanDerWaalsContact C-N 3.31Å; W480-K482 PolarHBondContact O-N 2.91Å; K482-N484 VanDerWaalsContact C-N 3.34Å
483D97.4Very high96.3Very high128 Ų12859.4 Ų59.468%0.68432%0.315SS*.Hα-helixtrans-79.2-14.2176.5-67.9-20.1000113.5A479 W480 L481 P485A479-D483 PolarHBondContact O-N 3.18Å; W480-D483 CarbonylContact O-C 3.57Å; W480-D483 PolarHBondContact O-N 3.03Å; L481-D483 VanDerWaalsContact C-N 3.32Å; D483-P485 VanDerWaalsContact C-CD 3.49Å; D483-P485 WeakPolarHBondContact O-CD 3.29Å
484N97.3Very high96.3Very high58 Ų5861.5 Ų61.531%0.3132%0.317SS..  trans-125.168-179.5-64.8-89.9000112.3W480 L481 K482 E486 T487 A488W480-N484 HydrophobicContact CE3-CB 4.3Å; W480-N484 HydrophobicContact CH2-CB 4.15Å; W480-N484 HydrophobicContact CZ2-CB 4.38Å; W480-N484 HydrophobicContact CZ3-CB 4.11Å; W480-N484 WeakPolarHBondContact O-CB 3.37Å; W480-N484 PolarHBondContact O-N 3.44Å; W480-N484 PolarHBondContact O-ND2 3.1Å; L481-N484 CarbonylContact O-C 3.53Å; L481-N484 PolarHBondContact O-N 3.09Å; K482-N484 VanDerWaalsContact C-N 3.34Å; N484-E486 VanDerWaalsContact C-N 3.29Å; N484-E486 PolarHBondContact O-N 3Å; N484-T487 PolarHBondContact O-N 3.06Å; N484-T487 VanDerWaalsContact O-N 3.13Å; N484-A488 PolarHBondContact O-N 2.95Å
485P95.4Very high96.4Very high59 Ų5958.9 Ų58.938%0.38331%0.306SS..Hα-helixtrans-60.6-32.4-171.8-24.634.7000114.6D483 A488 K489D483-P485 VanDerWaalsContact C-CD 3.49Å; D483-P485 WeakPolarHBondContact O-CD 3.29Å; P485-A488 PolarHBondContact O-N 3.38Å; P485-K489 WeakPolarHBondContact O-CG 3.41Å; P485-K489 PolarHBondContact O-N 3.24Å
486E96.5Very high96.5Very high141 Ų14157.4 Ų57.466%0.65928%0.283SS*.Hα-helixtrans-65.2-41.2178.7-62.1-53.214000111.6N484 K489 E490N484-E486 VanDerWaalsContact C-N 3.29Å; N484-E486 PolarHBondContact O-N 3Å; E486-K489 PolarHBondContact O-N 3.35Å; E486-E490 PolarHBondContact O-N 2.94Å; E486-E490 VanDerWaalsContact O-N 3.09Å
487T97.1Very high96.3Very high32 Ų3259.3 Ų59.320%0.19629%0.289CS..Hα-helixtrans-69.9-39.5174.4-53.80000111.3Y465 W480 N484 K489 E490 I491Y465-T487 HydrophobicContact CD1-CG2 3.6Å; Y465-T487 HydrophobicContact CE1-CG2 3.39Å; W480-T487 HydrophobicContact CH2-CG2 3.88Å; W480-T487 HydrophobicContact CZ3-CG2 3.83Å; N484-T487 PolarHBondContact O-N 3.06Å; N484-T487 VanDerWaalsContact O-N 3.13Å; T487-K489 VanDerWaalsContact C-N 3.33Å; T487-K489 PolarHBondContact O-N 3.36Å; T487-E490 WeakPolarHBondContact O-CB 3.38Å; T487-E490 PolarHBondContact O-N 2.9Å; T487-E490 VanDerWaalsContact O-N 3.17Å; T487-I491 HydrophobicContact CG2-CD1 3.98Å; T487-I491 HydrophobicContact CG2-CG1 4.44Å; T487-I491 WeakPolarHBondContact O-CG1 3.27Å; T487-I491 PolarHBondContact O-N 3.29Å
488A97.2Very high96Very high4 Ų464.3 Ų64.33%0.03332%0.316CS..Hα-helixtrans-58.5-44.9174.900000111.7Y443 L446 L481 N484 P485 E490 I491 E492Y443-A488 HydrophobicContact CD1-CB 4.18Å; Y443-A488 HydrophobicContact CE1-CB 3.71Å; L446-A488 HydrophobicContact CD2-CB 3.89Å; L481-A488 HydrophobicContact CB-CB 4.43Å; L481-A488 HydrophobicContact CD2-CB 4.24Å; N484-A488 PolarHBondContact O-N 2.95Å; P485-A488 PolarHBondContact O-N 3.38Å; A488-E490 PolarHBondContact O-N 3.33Å; A488-I491 PolarHBondContact O-N 2.7Å; A488-E492 VanDerWaalsContact O-CB 3.32Å; A488-E492 WeakPolarHBondContact O-CB 3.08Å; A488-E492 PolarHBondContact O-N 2.86Å
489K95.7Very high95.8Very high123 Ų12365.6 Ų65.654%0.53532%0.321SS..Hα-helixtrans-61.4-39.6174.1-74176.8-177.4171.70112.8P485 E486 T487 K493P485-K489 WeakPolarHBondContact O-CG 3.41Å; P485-K489 PolarHBondContact O-N 3.24Å; E486-K489 PolarHBondContact O-N 3.35Å; T487-K489 VanDerWaalsContact C-N 3.33Å; T487-K489 PolarHBondContact O-N 3.36Å; K489-K493 WeakPolarHBondContact O-CB 3.47Å; K489-K493 PolarHBondContact O-N 3.43Å
490E97.2Very high95.2Very high64 Ų6464.8 Ų64.830%0.29931%0.311SS..Hα-helixtrans-60.8-47.5176.3-167.2-161.1166.400111.2Y465 K466 E486 T487 A488 K494Y465-E490 PolarHBondContact OH-OE1 2.89Å; Y465-E490 VanDerWaalsContact OH-OE1 3.13Å; Y465-E490 PolarHBondContact OH-OE2 3.48Å; K466-E490 IonicContact NZ-OE1 3.63Å; K466-E490 PolarHBondContact NZ-OE1 3.13Å; K466-E490 IonicContact NZ-OE2 3.62Å; K466-E490 PolarHBondContact NZ-OE2 2.63Å; E486-E490 PolarHBondContact O-N 2.94Å; E486-E490 VanDerWaalsContact O-N 3.09Å; T487-E490 WeakPolarHBondContact O-CB 3.38Å; T487-E490 PolarHBondContact O-N 2.9Å; T487-E490 VanDerWaalsContact O-N 3.17Å; A488-E490 PolarHBondContact O-N 3.33Å; E490-K494 PolarHBondContact O-N 3.1Å; E490-K494 IonicContact OE1-NZ 2.69Å; E490-K494 PolarHBondContact OE1-NZ 3.11Å
491I97.2Very high94Very high0 Ų065.5 Ų65.50%032%0.323CS..Hα-helixtrans-67-46.2179.8-62.8167.8000109.7L446 L455 I456 Y465 L481 T487 A488 K493 K494 V495L446-I491 HydrophobicContact CD1-CB 4.29Å; L446-I491 HydrophobicContact CD1-CG2 3.77Å; L446-I491 HydrophobicContact CG-CG2 4.13Å; L455-I491 HydrophobicContact CD1-CG2 4.31Å; I456-I491 HydrophobicContact CD1-CD1 4.3Å; I456-I491 HydrophobicContact CG1-CD1 4.34Å; Y465-I491 HydrophobicContact CD2-CD1 3.82Å; Y465-I491 HydrophobicContact CD2-CG1 4.14Å; Y465-I491 HydrophobicContact CE1-CD1 4.44Å; Y465-I491 HydrophobicContact CE1-CG1 4.46Å; Y465-I491 HydrophobicContact CE2-CD1 3.78Å; Y465-I491 HydrophobicContact CE2-CG1 3.56Å; Y465-I491 HydrophobicContact CG-CD1 4.2Å; L481-I491 HydrophobicContact CD2-CD1 3.78Å; T487-I491 HydrophobicContact CG2-CD1 3.98Å; T487-I491 HydrophobicContact CG2-CG1 4.44Å; T487-I491 WeakPolarHBondContact O-CG1 3.27Å; T487-I491 PolarHBondContact O-N 3.29Å; A488-I491 PolarHBondContact O-N 2.7Å; I491-K493 VanDerWaalsContact C-N 3.33Å; I491-K493 PolarHBondContact O-N 3.3Å; I491-K494 PolarHBondContact O-N 3.31Å; I491-V495 HydrophobicContact CG2-CG2 4.12Å; I491-V495 WeakPolarHBondContact O-CB 3.38Å; I491-V495 VanDerWaalsContact O-CG2 3.29Å; I491-V495 WeakPolarHBondContact O-CG2 3.33Å; I491-V495 PolarHBondContact O-N 3.25Å
492E97Very high92.4Very high43 Ų4368.2 Ų68.220%0.20134%0.338CS..Hα-helixtrans-56.1-48.4178.7-178.2-171.817300111.1L217 F442 L446 A488 K494 V495 R496L217-E492 HydrophobicContact CD1-CG 4.06Å; L217-E492 HydrophobicContact CD2-CG 4.28Å; F442-E492 HydrophobicContact CZ-CG 4.23Å; L446-E492 HydrophobicContact CD1-CB 4Å; A488-E492 VanDerWaalsContact O-CB 3.32Å; A488-E492 WeakPolarHBondContact O-CB 3.08Å; A488-E492 PolarHBondContact O-N 2.86Å; E492-K494 VanDerWaalsContact C-N 3.34Å; E492-K494 PolarHBondContact O-N 3.49Å; E492-V495 PolarHBondContact O-N 3.49Å; E492-R496 HydrophobicContact CG-CG 4.43Å; E492-R496 WeakPolarHBondContact O-CB 3.43Å; E492-R496 WeakPolarHBondContact O-CG 3.4Å; E492-R496 PolarHBondContact O-N 2.83Å; E492-R496 IonicContact OE1-CZ 2.75Å; E492-R496 VanDerWaalsContact OE1-CZ 3.32Å; E492-R496 IonicContact OE1-NE 2.58Å; E492-R496 PolarHBondContact OE1-NE 2.93Å; E492-R496 IonicContact OE1-NH2 2.87Å; E492-R496 PolarHBondContact OE1-NH2 3.19Å
493K95.2Very high90.5Very high134 Ų13467.8 Ų67.858%0.58335%0.345SS*.Hα-helixtrans-57.4-47.2179.2-176.8177177.3179.70111.5K489 I491 R496 E497K489-K493 WeakPolarHBondContact O-CB 3.47Å; K489-K493 PolarHBondContact O-N 3.43Å; I491-K493 VanDerWaalsContact C-N 3.33Å; I491-K493 PolarHBondContact O-N 3.3Å; K493-R496 PolarHBondContact O-N 3.08Å; K493-E497 WeakPolarHBondContact CE-OE1 2.95Å; K493-E497 WeakPolarHBondContact O-CG 3.38Å; K493-E497 PolarHBondContact O-N 3.38Å
494K95.4Very high88.4Confident69 Ų6969.2 Ų69.230%0.335%0.353SS..Hα-helixtrans-64.4-41.3177.5-73.7174.2173.71690112.4L455 E490 I491 E492 R496 E497 L498L455-K494 HydrophobicContact CD1-CB 3.78Å; L455-K494 HydrophobicContact CD2-CB 4.31Å; L455-K494 HydrophobicContact CD2-CD 4.11Å; E490-K494 PolarHBondContact O-N 3.1Å; E490-K494 IonicContact OE1-NZ 2.69Å; E490-K494 PolarHBondContact OE1-NZ 3.11Å; I491-K494 PolarHBondContact O-N 3.31Å; E492-K494 VanDerWaalsContact C-N 3.34Å; E492-K494 PolarHBondContact O-N 3.49Å; K494-R496 VanDerWaalsContact C-N 3.34Å; K494-E497 PolarHBondContact O-N 3.28Å; K494-L498 WeakPolarHBondContact O-CB 3.48Å; K494-L498 VanDerWaalsContact O-CG 3.3Å; K494-L498 WeakPolarHBondContact O-CG 3.45Å; K494-L498 PolarHBondContact O-N 3.47Å
495V95.2Very high86Confident0 Ų067.4 Ų67.40%035%0.345CS..Hα-helixtrans-60.4-45.4175.4169.70000110.4L217 I221 L446 L449 L455 I491 E492 L498 L499L217-V495 HydrophobicContact CD2-CG1 4.21Å; I221-V495 HydrophobicContact CD1-CG1 3.79Å; L446-V495 HydrophobicContact CD1-CG2 4.41Å; L449-V495 HydrophobicContact CB-CG1 3.96Å; L449-V495 HydrophobicContact CB-CG2 4.39Å; L449-V495 HydrophobicContact CD1-CG1 4.13Å; L449-V495 HydrophobicContact CG-CG1 4.5Å; L455-V495 HydrophobicContact CD1-CG2 3.62Å; I491-V495 HydrophobicContact CG2-CG2 4.12Å; I491-V495 WeakPolarHBondContact O-CB 3.38Å; I491-V495 VanDerWaalsContact O-CG2 3.29Å; I491-V495 WeakPolarHBondContact O-CG2 3.33Å; I491-V495 PolarHBondContact O-N 3.25Å; E492-V495 PolarHBondContact O-N 3.49Å; V495-L498 PolarHBondContact O-N 2.97Å; V495-L499 HydrophobicContact CG1-CD1 4.08Å; V495-L499 WeakPolarHBondContact O-CB 3.42Å; V495-L499 PolarHBondContact O-N 3.28Å
496R94Very high83.2Confident47 Ų4769.1 Ų69.118%0.17735%0.354CS..Hα-helixtrans-62.6-45.3176.6-73.4-178.4-178.6-84.2-1.2111.7L217 D220 G226 E492 K493 K494 L498 L499 L500L217-R496 HydrophobicContact CD1-CG 4.02Å; D220-R496 IonicContact OD2-CZ 3.75Å; D220-R496 IonicContact OD2-NH1 3.18Å; D220-R496 PolarHBondContact OD2-NH1 2.84Å; D220-R496 IonicContact OD2-NH2 2.72Å; D220-R496 PolarHBondContact OD2-NH2 3.45Å; G226-R496 PolarHBondContact O-NH1 3.32Å; E492-R496 HydrophobicContact CG-CG 4.43Å; E492-R496 WeakPolarHBondContact O-CB 3.43Å; E492-R496 WeakPolarHBondContact O-CG 3.4Å; E492-R496 PolarHBondContact O-N 2.83Å; E492-R496 IonicContact OE1-CZ 2.75Å; E492-R496 VanDerWaalsContact OE1-CZ 3.32Å; E492-R496 IonicContact OE1-NE 2.58Å; E492-R496 PolarHBondContact OE1-NE 2.93Å; E492-R496 IonicContact OE1-NH2 2.87Å; E492-R496 PolarHBondContact OE1-NH2 3.19Å; K493-R496 PolarHBondContact O-N 3.08Å; K494-R496 VanDerWaalsContact C-N 3.34Å; R496-L498 VanDerWaalsContact C-N 3.29Å; R496-L498 PolarHBondContact O-N 3.1Å; R496-L499 PolarHBondContact O-N 2.67Å; R496-L500 HydrophobicContact CB-CD1 3.82Å; R496-L500 HydrophobicContact CB-CG 4.28Å; R496-L500 HydrophobicContact CG-CD1 4.16Å; R496-L500 VanDerWaalsContact O-CB 3.24Å; R496-L500 WeakPolarHBondContact O-CB 3.4Å; R496-L500 VanDerWaalsContact O-CG 3.27Å; R496-L500 WeakPolarHBondContact O-CG 3.49Å; R496-L500 PolarHBondContact O-N 2.97Å
497E91.5Very high80.6Confident133 Ų13363.2 Ų63.262%0.62133%0.328SS*.Hα-helixtrans-60.1-36.6176.8-75.1170.3-176.500112.8K493 K494K493-E497 WeakPolarHBondContact CE-OE1 2.95Å; K493-E497 WeakPolarHBondContact O-CG 3.38Å; K493-E497 PolarHBondContact O-N 3.38Å; K494-E497 PolarHBondContact O-N 3.28Å
498L91.8Very high77.9Confident106 Ų10667.9 Ų67.956%0.55535%0.352SS*.Hα-helixtrans-77.7-34.4179.7-72.8169.5000113.5E453 L455 K494 V495 R496E453-L498 HydrophobicContact CB-CD1 4.2Å; L455-L498 HydrophobicContact CD1-CD1 4.39Å; K494-L498 WeakPolarHBondContact O-CB 3.48Å; K494-L498 VanDerWaalsContact O-CG 3.3Å; K494-L498 WeakPolarHBondContact O-CG 3.45Å; K494-L498 PolarHBondContact O-N 3.47Å; V495-L498 PolarHBondContact O-N 2.97Å; R496-L498 VanDerWaalsContact C-N 3.29Å; R496-L498 PolarHBondContact O-N 3.1Å
499L91.5Very high75.2Confident42 Ų4274.3 Ų74.322%0.2238%0.379CS..Hα-helixtrans-113-16.3-165.9-64.5-178.7000115.5I221 L449 E453 V495 R496 S501I221-L499 HydrophobicContact CD1-CB 4.3Å; I221-L499 HydrophobicContact CD1-CD1 3.96Å; I221-L499 HydrophobicContact CG1-CB 4.28Å; I221-L499 HydrophobicContact CG2-CB 3.77Å; I221-L499 HydrophobicContact CG2-CD1 4.38Å; L449-L499 HydrophobicContact CD2-CD1 3.89Å; E453-L499 HydrophobicContact CG-CD1 3.85Å; E453-L499 HydrophobicContact CG-CD2 4.34Å; E453-L499 HydrophobicContact CG-CG 4.19Å; V495-L499 HydrophobicContact CG1-CD1 4.08Å; V495-L499 WeakPolarHBondContact O-CB 3.42Å; V495-L499 PolarHBondContact O-N 3.28Å; R496-L499 PolarHBondContact O-N 2.67Å; L499-S501 PolarHBondContact O-N 3.18Å
500L85.8Confident72.1Confident29 Ų2972.6 Ų72.615%0.15238%0.383CS..  trans-78.2119.2173.8-65.3178.5000110I221 R496I221-L500 HydrophobicContact CG1-CD2 4.35Å; R496-L500 HydrophobicContact CB-CD1 3.82Å; R496-L500 HydrophobicContact CB-CG 4.28Å; R496-L500 HydrophobicContact CG-CD1 4.16Å; R496-L500 VanDerWaalsContact O-CB 3.24Å; R496-L500 WeakPolarHBondContact O-CB 3.4Å; R496-L500 VanDerWaalsContact O-CG 3.27Å; R496-L500 WeakPolarHBondContact O-CG 3.49Å; R496-L500 PolarHBondContact O-N 2.97Å
501S72.5Confident69Low64 Ų6475.5 Ų75.545%0.44841%0.405SS..SBendtrans-76.5-26179.154.80000112.7L499L499-S501 PolarHBondContact O-N 3.18Å
502N64.2Low66.1Low56 Ų5682 Ų8230%0.29944%0.44SS..  trans-132.556.7-167.2-81.933.1000112.3G224 I423 A424 N504 S505G224-N502 PolarHBondContact O-N 2.96Å; I423-N502 PolarHBondContact O-ND2 3.43Å; A424-N502 HydrophobicContact CB-CB 4.34Å; N502-N504 PolarHBondContact O-N 3Å; N502-N504 VanDerWaalsContact O-N 3.07Å; N502-S505 VanDerWaalsContact ND2-CB 3.35Å; N502-S505 WeakPolarHBondContact ND2-CB 3.47Å
503P56.2Low63Low92 Ų9287.5 Ų87.560%0.59747%0.47SS*.THydrogen-bonded Turntrans-62.9-16.4179.224.2-31.7000113.8
504N52.6Low60.3Low157 Ų15785.6 Ų85.684%0.8447%0.474SS*.THydrogen-bonded Turntrans-131.427-177.7-65.9-32.6000113.8N502 T506N502-N504 PolarHBondContact O-N 3Å; N502-N504 VanDerWaalsContact O-N 3.07Å; N504-T506 PolarHBondContact O-N 3.38Å
505S46Very low57.5Low20 Ų2091.3 Ų91.314%0.1450%0.502CS..PPolyproline II helixtrans-67.2126.8-168.850.40000114.9V209 I423 N502V209-S505 VanDerWaalsContact CG2-O 3.31Å; V209-S505 WeakPolarHBondContact CG2-O 2.77Å; I423-S505 PolarHBondContact O-OG 3.23Å; N502-S505 VanDerWaalsContact ND2-CB 3.35Å; N502-S505 WeakPolarHBondContact ND2-CB 3.47Å
506T38.2Very low54.3Low96 Ų9695.1 Ų95.159%0.58954%0.541SS*.PPolyproline II helixtrans-71.2148.3149.240.20000109.9N504 D508N504-T506 PolarHBondContact O-N 3.38Å; T506-D508 PolarHBondContact O-N 3.19Å
507P40.5Very low51.5Low17 Ų1798.7 Ų98.711%0.1157%0.568CS.*PPolyproline II helixtrans-65.8131-176.616.7-21.1000112.4M207 F509M207-P507 HydrophobicContact CE-CG 3.65Å; P507-F509 HydrophobicContact CB-CD2 4.28Å; P507-F509 HydrophobicContact CB-CE2 3.88Å; P507-F509 HydrophobicContact CB-CZ 4.26Å; P507-F509 HydrophobicContact CG-CD2 4.47Å; P507-F509 HydrophobicContact CG-CE2 3.77Å; P507-F509 HydrophobicContact CG-CZ 4.3Å
508D40.9Very low48.6Very low130 Ų13096.9 Ų96.970%0.69558%0.576SS**  trans-84.1109.3167.3-166.33.5000108.8T506 S510T506-D508 PolarHBondContact O-N 3.19Å; D508-S510 PolarHBondContact O-N 3.14Å
509F39.7Very low46Very low138 Ų138100 Ų10061%0.60559%0.588SS**  trans-94.876.4174-70.8-79.4000109.4P507P507-F509 HydrophobicContact CB-CD2 4.28Å; P507-F509 HydrophobicContact CB-CE2 3.88Å; P507-F509 HydrophobicContact CB-CZ 4.26Å; P507-F509 HydrophobicContact CG-CD2 4.47Å; P507-F509 HydrophobicContact CG-CE2 3.77Å; P507-F509 HydrophobicContact CG-CZ 4.3Å
510S32.2Very low43.4Very low88 Ų88104.2 Ų104.262%0.61562%0.615SS**  trans-83.5110.9158.861.60000108.6D508 D512D508-S510 PolarHBondContact O-N 3.14Å; S510-D512 PolarHBondContact O-N 3.33Å
511V32.1Very low40.8Very low125 Ų125110.7 Ų110.776%0.75865%0.65SS**  trans-71.2106.3163.5-1750000105.8D513V511-D513 PolarHBondContact O-N 2.9Å
512D36.6Very low39.3Very low137 Ų137116.1 Ų116.173%0.73367%0.668SS**  trans-69.1101.5170.4-116.4-13.4000107.6S510 S514S510-D512 PolarHBondContact O-N 3.33Å; D512-S514 PolarHBondContact O-N 3.14Å
513D30.8Very low37.9Very low157 Ų157120.3 Ų120.384%0.8469%0.691SS**  trans-68.185.1161.9-76.8-29.5000107.9V511V511-D513 PolarHBondContact O-N 2.9Å
514S39Very low36.8Very low94 Ų94129.3 Ų129.366%0.65772%0.721SS**  trans-118.296.8166.249.90000110.2D512D512-S514 PolarHBondContact O-N 3.14Å
515E35.4Very low36Very low189 Ų189128 Ų12888%0.88372%0.715SS**  trans47.4102.2147.4-59.8-168.9164.800119.4
516G29.3Very low35.5Very low80 Ų80133.6 Ų133.683%0.82575%0.745SS**  64.782120.100000118
517V33.6Very low35.4Very low122 Ų122135.7 Ų135.774%0.73975%0.754SS**  trans-122.397.8148.8-172.30000107.7E519V517-E519 HydrophobicContact CG1-CG 4.12Å; V517-E519 PolarHBondContact O-N 3.17Å
518A32.1Very low35.1Very low96 Ų96142.7 Ų142.779%0.79379%0.792SS**  trans-71.4100.9162.100000107.4
519E37Very low34.7Very low171 Ų171143.5 Ų143.580%0.79980%0.798SS**  trans-96.5105.5158.6-88.3179.3-177.400107.4V517 N521V517-E519 HydrophobicContact CG1-CG 4.12Å; V517-E519 PolarHBondContact O-N 3.17Å; E519-N521 PolarHBondContact O-N 2.94Å
520T36.6Very low34.4Very low130 Ų130143.9 Ų143.980%0.79881%0.811SS**  trans-60.5119.1166.243.80000109.2E522T520-E522 PolarHBondContact O-N 2.88Å
521N32.1Very low34.5Very low166 Ų166147.9 Ų147.989%0.88883%0.825SS**  trans-72.2107.9160.5-78.4-33.4000108.6E519E519-N521 PolarHBondContact O-N 2.94Å
522E39.1Very low34.7Very low177 Ų177149.6 Ų149.683%0.82783%0.83SS**  trans-141.4114.1153.2-74.6-168.6165.600108.6T520T520-E522 PolarHBondContact O-N 2.88Å
523D35.1Very low34.5Very low145 Ų145150.7 Ų150.778%0.77584%0.838SS**  trans39.9108.1149.7-58.6-21.2000119.8
524F34.3Very low34.9Very low281 Ų281150.1 Ų150.1100%1.23284%0.838SS**  169.70117.3-96.7-75.4000112

Retrieved 524 of 524 residues in 92.1 ms (Link to these results)

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