A0A087XJ97_POEFO Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A087XJ97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 152 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
1M53.1Low88.9Confident238 Ų23890.3 Ų90.3100%1.17243%0.431SS*.  01370-72.3-154.1-98.500108.8
2S77.8Confident89.3Confident76 Ų7683 Ų8353%0.53140%0.396SS..  trans-78.1120.5-179.8-172.60000110.2R7S2-R7 WeakPolarHBondContact OG-CG 3.48Å
3T91.6Very high89.7Confident39 Ų3979.6 Ų79.624%0.23938%0.379CS..  trans-76160.1-179.763.80000111A5 R6 R7 E61T3-A5 PolarHBondContact O-N 2.83Å; T3-R6 PolarHBondContact O-N 2.98Å; T3-R6 WeakPolarHBondContact OG1-CD 3.49Å; T3-R6 VanDerWaalsContact OG1-CG 3.25Å; T3-R6 WeakPolarHBondContact OG1-CG 3.48Å; T3-R6 PolarHBondContact OG1-N 3.13Å; T3-R7 PolarHBondContact O-N 3.24Å; T3-E61 WeakPolarHBondContact CB-OE2 3.24Å; T3-E61 VanDerWaalsContact CG2-OE2 3.3Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.47Å; T3-E61 PolarHBondContact OG1-OE2 3.48Å
4P93.1Very high90Very high93 Ų9382.4 Ų82.460%0.60439%0.388SS*.Hα-helixtrans-53.4-41.8173-25.935.4000112.9R7 R8P4-R7 PolarHBondContact O-N 2.96Å; P4-R8 PolarHBondContact O-N 2.96Å
5A93.9Very high90.2Very high1 Ų186.2 Ų86.21%0.00840%0.398CS..Hα-helixtrans-60.1-48.7176.800000112.1T3 R7 R8 L9 M34 Y63T3-A5 PolarHBondContact O-N 2.83Å; A5-R7 PolarHBondContact O-N 3.45Å; A5-R8 WeakPolarHBondContact O-CB 3.32Å; A5-R8 PolarHBondContact O-N 3.34Å; A5-R8 VanDerWaalsContact O-N 3.14Å; A5-L9 WeakPolarHBondContact O-CG 3.4Å; A5-L9 PolarHBondContact O-N 3.34Å; A5-M34 HydrophobicContact CB-CE 4.1Å; A5-Y63 WeakPolarHBondContact CA-O 3.43Å; A5-Y63 VanDerWaalsContact CB-O 3.29Å; A5-Y63 WeakPolarHBondContact CB-O 3.34Å
6R94.3Very high90.4Very high97 Ų9781.2 Ų81.237%0.36638%0.375SS..Hα-helixtrans-62.8-39.8178.1-68.5173-175.9-118.9-0.3112.7T3 R8 L9 M10 I33 M34 E61T3-R6 PolarHBondContact O-N 2.98Å; T3-R6 WeakPolarHBondContact OG1-CD 3.49Å; T3-R6 VanDerWaalsContact OG1-CG 3.25Å; T3-R6 WeakPolarHBondContact OG1-CG 3.48Å; T3-R6 PolarHBondContact OG1-N 3.13Å; R6-R8 VanDerWaalsContact C-N 3.33Å; R6-L9 PolarHBondContact O-N 3.03Å; R6-M10 WeakPolarHBondContact O-CG 3.3Å; R6-M10 PolarHBondContact O-N 2.96Å; R6-I33 HydrophobicContact CG-CG2 3.89Å; R6-M34 HydrophobicContact CG-CE 3.69Å; R6-E61 IonicContact CZ-OE1 3.51Å; R6-E61 IonicContact NE-OE1 2.66Å; R6-E61 PolarHBondContact NE-OE1 3.32Å; R6-E61 IonicContact NH2-OE1 3.3Å
7R94.8Very high90.4Very high159 Ų15983.9 Ų83.960%0.639%0.388SS*.Hα-helixtrans-63.2-39.8174.1-73.4-173.1-73.1169.6-2.1111.9S2 T3 P4 A5 R11S2-R7 WeakPolarHBondContact OG-CG 3.48Å; T3-R7 PolarHBondContact O-N 3.24Å; P4-R7 PolarHBondContact O-N 2.96Å; A5-R7 PolarHBondContact O-N 3.45Å; R7-R11 PolarHBondContact O-N 3.24Å
8R95.2Very high90.4Very high33 Ų3386.8 Ų86.813%0.12540%0.402CS..Hα-helixtrans-62.7-47.7174.3174.863.6-173.3-98.3-5.4111P4 A5 R6 M10 R11 D12 Y63 P64 P98 Y100P4-R8 PolarHBondContact O-N 2.96Å; A5-R8 WeakPolarHBondContact O-CB 3.32Å; A5-R8 PolarHBondContact O-N 3.34Å; A5-R8 VanDerWaalsContact O-N 3.14Å; R6-R8 VanDerWaalsContact C-N 3.33Å; R8-M10 VanDerWaalsContact C-N 3.35Å; R8-M10 PolarHBondContact O-N 2.83Å; R8-R11 VanDerWaalsContact CZ-NH2 3.32Å; R8-R11 WeakPolarHBondContact O-CB 3.45Å; R8-R11 PolarHBondContact O-N 3.01Å; R8-R11 VanDerWaalsContact O-N 3.07Å; R8-D12 WeakPolarHBondContact CD-OD1 3.2Å; R8-D12 IonicContact CZ-OD1 3.5Å; R8-D12 IonicContact CZ-OD2 3.98Å; R8-D12 IonicContact NE-OD1 3.88Å; R8-D12 PolarHBondContact NE-OD1 3.12Å; R8-D12 IonicContact NE-OD2 2.84Å; R8-D12 PolarHBondContact NE-OD2 3.3Å; R8-D12 IonicContact NH2-OD1 3.6Å; R8-D12 IonicContact NH2-OD2 2.87Å; R8-D12 PolarHBondContact O-N 2.95Å; R8-Y63 HydrophobicContact CB-CD1 4.43Å; R8-Y63 HydrophobicContact CB-CE1 4.41Å; R8-Y63 HydrophobicContact CG-CD1 3.89Å; R8-Y63 HydrophobicContact CG-CE1 3.48Å; R8-Y63 VanDerWaalsContact CG-CE1 3.48Å; R8-P64 HydrophobicContact CG-CB 4.42Å; R8-P64 HydrophobicContact CG-CG 4.29Å; R8-P98 PolarHBondContact NH1-O 3.4Å; R8-P98 PolarHBondContact NH2-O 3.03Å; R8-Y100 PolarHBondContact NH2-O 2.7Å
9L95.8Very high90.4Very high0 Ų088.5 Ų88.50%041%0.414CS..Hα-helixtrans-60.8-41179.1-70.3170.1000112.8A5 R6 R11 D12 F13 I33 M34 W36 F59 Y63A5-L9 WeakPolarHBondContact O-CG 3.4Å; A5-L9 PolarHBondContact O-N 3.34Å; R6-L9 PolarHBondContact O-N 3.03Å; L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3Å; L9-D12 PolarHBondContact O-N 2.85Å; L9-F13 WeakPolarHBondContact O-CB 3.41Å; L9-F13 PolarHBondContact O-N 2.65Å; L9-I33 HydrophobicContact CB-CD1 4.11Å; L9-I33 HydrophobicContact CB-CG1 4.15Å; L9-I33 HydrophobicContact CD1-CG1 4.46Å; L9-M34 HydrophobicContact CD1-SD 3.41Å; L9-M34 WeakPolarHBondContact CD1-SD 3.28Å; L9-W36 HydrophobicContact CB-CZ2 4.28Å; L9-W36 HydrophobicContact CD2-CZ2 4.29Å; L9-F59 HydrophobicContact CD1-CB 4.15Å; L9-F59 HydrophobicContact CD1-CD2 4.37Å; L9-F59 HydrophobicContact CD1-CG 4.15Å; L9-F59 HydrophobicContact CD2-CD1 3.53Å; L9-F59 HydrophobicContact CD2-CD2 3.86Å; L9-F59 HydrophobicContact CD2-CE1 3.53Å; L9-F59 HydrophobicContact CD2-CE2 3.87Å; L9-F59 HydrophobicContact CD2-CG 3.7Å; L9-F59 HydrophobicContact CD2-CZ 3.7Å; L9-Y63 HydrophobicContact CD2-CD1 3.71Å; L9-Y63 HydrophobicContact CD2-CE1 3.63Å; L9-Y63 HydrophobicContact CG-CD1 3.93Å; L9-Y63 HydrophobicContact CG-CE1 4.18Å
10M93.9Very high90.3Very high106 Ų10688 Ų8852%0.52242%0.418SS..Hα-helixtrans-61.4-36.5174.4-72.5-60.6-63.100112.6R6 R8 K14 I33R6-M10 WeakPolarHBondContact O-CG 3.3Å; R6-M10 PolarHBondContact O-N 2.96Å; R8-M10 VanDerWaalsContact C-N 3.35Å; R8-M10 PolarHBondContact O-N 2.83Å; M10-K14 WeakPolarHBondContact O-CB 3.34Å; M10-K14 PolarHBondContact O-N 2.94Å; M10-I33 HydrophobicContact CG-CD1 3.61Å; M10-I33 HydrophobicContact SD-CD1 3.37Å; M10-I33 WeakPolarHBondContact SD-CD1 3.19Å
11R94.2Very high90.3Very high151 Ų15185.4 Ų85.457%0.5741%0.409SS*.Hα-helixtrans-68.8-44.1176-176.1-177.568.5-171.810.8111.3R7 R8 L9 F13 K14 R15R7-R11 PolarHBondContact O-N 3.24Å; R8-R11 VanDerWaalsContact CZ-NH2 3.32Å; R8-R11 WeakPolarHBondContact O-CB 3.45Å; R8-R11 PolarHBondContact O-N 3.01Å; R8-R11 VanDerWaalsContact O-N 3.07Å; L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3Å; R11-F13 VanDerWaalsContact C-N 3.27Å; R11-F13 PolarHBondContact O-N 2.62Å; R11-K14 PolarHBondContact O-N 3.31Å; R11-R15 PolarHBondContact O-N 2.88Å
12D94.6Very high92.1Very high3 Ų378.4 Ų78.42%0.01639%0.389CS..Hα-helixtrans-65.8-35.1179-68.717.9000110.5R8 L9 R15 L16 Y63 D101 V102R8-D12 WeakPolarHBondContact CD-OD1 3.2Å; R8-D12 IonicContact CZ-OD1 3.5Å; R8-D12 IonicContact CZ-OD2 3.98Å; R8-D12 IonicContact NE-OD1 3.88Å; R8-D12 PolarHBondContact NE-OD1 3.12Å; R8-D12 IonicContact NE-OD2 2.84Å; R8-D12 PolarHBondContact NE-OD2 3.3Å; R8-D12 IonicContact NH2-OD1 3.6Å; R8-D12 IonicContact NH2-OD2 2.87Å; R8-D12 PolarHBondContact O-N 2.95Å; L9-D12 PolarHBondContact O-N 2.85Å; D12-R15 PolarHBondContact O-N 3.17Å; D12-L16 WeakPolarHBondContact O-CB 3.33Å; D12-L16 PolarHBondContact O-N 3.28Å; D12-Y63 PolarHBondContact OD2-OH 3.02Å; D12-D101 HydrophobicContact CB-CB 4.45Å; D12-D101 WeakPolarHBondContact OD2-CA 3.32Å; D12-D101 WeakPolarHBondContact OD2-CB 3.45Å; D12-V102 HydrophobicContact CB-CB 4.49Å; D12-V102 HydrophobicContact CB-CG2 3.97Å
13F94.5Very high92.8Very high39 Ų3976.1 Ų76.117%0.17138%0.377CS..Hα-helixtrans-64.5-48.2173.7-177.4-124.5000111.5L9 R11 R15 L16 Q17 A27 P28 W36L9-F13 WeakPolarHBondContact O-CB 3.41Å; L9-F13 PolarHBondContact O-N 2.65Å; R11-F13 VanDerWaalsContact C-N 3.27Å; R11-F13 PolarHBondContact O-N 2.62Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 2.91Å; F13-L16 PolarHBondContact O-N 3.09Å; F13-Q17 HydrophobicContact CD2-CG 4.35Å; F13-Q17 HydrophobicContact CE1-CG 4.4Å; F13-Q17 HydrophobicContact CE2-CG 4Å; F13-Q17 VanDerWaalsContact CZ-CD 3.47Å; F13-Q17 HydrophobicContact CZ-CG 4.07Å; F13-Q17 WeakPolarHBondContact O-CG 3.46Å; F13-Q17 PolarHBondContact O-N 3.3Å; F13-A27 HydrophobicContact CE2-CB 3.91Å; F13-P28 VanDerWaalsContact CD2-CD 3.43Å; F13-P28 HydrophobicContact CD2-CG 4.37Å; F13-P28 HydrophobicContact CE2-CG 4.35Å; F13-P28 HydrophobicContact CG-CG 4.49Å; F13-P28 HydrophobicContact CZ-CG 4.41Å; F13-W36 VanDerWaalsContact CA-CH2 3.44Å; F13-W36 HydrophobicContact CB-CH2 3.42Å; F13-W36 VanDerWaalsContact CB-CH2 3.42Å; F13-W36 HydrophobicContact CB-CZ2 3.87Å; F13-W36 HydrophobicContact CB-CZ3 4.27Å; F13-W36 AromaticContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CH2 3.93Å; F13-W36 AromaticContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CG-CH2 4.11Å
14K93.8Very high92.9Very high118 Ų11874.6 Ų74.651%0.51337%0.368SS..Hα-helixtrans-57.9-44.4176.6-177.9175.5174.3179.20111.3M10 R11 Q17 E18M10-K14 WeakPolarHBondContact O-CB 3.34Å; M10-K14 PolarHBondContact O-N 2.94Å; R11-K14 PolarHBondContact O-N 3.31Å; K14-Q17 PolarHBondContact O-N 3.27Å; K14-E18 WeakPolarHBondContact CE-OE1 3.43Å; K14-E18 HydrophobicContact CG-CG 4.35Å; K14-E18 IonicContact NZ-OE1 3.88Å; K14-E18 WeakPolarHBondContact O-CB 3.39Å; K14-E18 WeakPolarHBondContact O-CG 3.34Å; K14-E18 PolarHBondContact O-N 2.82Å
15R92.4Very high92.9Very high140 Ų14072.5 Ų72.553%0.52836%0.356SS..Hα-helixtrans-61.7-45177.5-172180-176.4176.82.7111.8R11 D12 F13 Q17 E18 D19 D101R11-R15 PolarHBondContact O-N 2.88Å; D12-R15 PolarHBondContact O-N 3.17Å; F13-R15 VanDerWaalsContact C-N 3.3Å; F13-R15 PolarHBondContact O-N 2.91Å; R15-Q17 VanDerWaalsContact C-N 3.27Å; R15-Q17 PolarHBondContact O-N 3.24Å; R15-E18 PolarHBondContact O-N 3.11Å; R15-D19 PolarHBondContact O-N 2.94Å; R15-D101 VanDerWaalsContact CD-OD2 3.3Å; R15-D101 WeakPolarHBondContact CD-OD2 3.31Å; R15-D101 IonicContact CZ-OD2 3.63Å; R15-D101 VanDerWaalsContact CZ-OD2 3.3Å; R15-D101 IonicContact NE-OD2 3.85Å; R15-D101 IonicContact NH1-OD2 3.25Å; R15-D101 PolarHBondContact NH1-OD2 2.87Å
16L92.9Very high92.9Very high6 Ų673.2 Ų73.23%0.03136%0.363CS..Hα-helixtrans-63.8-31.7177.8-175.862.6000112.5D12 F13 P20 G26 W36 V102 S103 L106D12-L16 WeakPolarHBondContact O-CB 3.33Å; D12-L16 PolarHBondContact O-N 3.28Å; F13-L16 PolarHBondContact O-N 3.09Å; L16-P20 VanDerWaalsContact O-CA 3.28Å; L16-P20 WeakPolarHBondContact O-CA 3.46Å; L16-P20 WeakPolarHBondContact O-CB 3.4Å; L16-G26 WeakPolarHBondContact CD2-O 3.43Å; L16-W36 HydrophobicContact CD2-CZ3 4.07Å; L16-V102 HydrophobicContact CD2-CG1 4.17Å; L16-S103 WeakPolarHBondContact CD1-OG 3.41Å; L16-L106 HydrophobicContact CD2-CD1 4.4Å
17Q90.8Very high93Very high128 Ų12870.6 Ų70.660%0.59836%0.362SS*.Hα-helixtrans-77.3-37.6175.2-72.4-170.7-35.500113.5F13 K14 R15F13-Q17 HydrophobicContact CD2-CG 4.35Å; F13-Q17 HydrophobicContact CE1-CG 4.4Å; F13-Q17 HydrophobicContact CE2-CG 4Å; F13-Q17 VanDerWaalsContact CZ-CD 3.47Å; F13-Q17 HydrophobicContact CZ-CG 4.07Å; F13-Q17 WeakPolarHBondContact O-CG 3.46Å; F13-Q17 PolarHBondContact O-N 3.3Å; K14-Q17 PolarHBondContact O-N 3.27Å; R15-Q17 VanDerWaalsContact C-N 3.27Å; R15-Q17 PolarHBondContact O-N 3.24Å
18E91.2Very high93Very high136 Ų13664.7 Ų64.764%0.63634%0.344SS*.Hα-helixtrans-75.6-36.4-178.6-73.7178.2159.800112.3K14 R15K14-E18 WeakPolarHBondContact CE-OE1 3.43Å; K14-E18 HydrophobicContact CG-CG 4.35Å; K14-E18 IonicContact NZ-OE1 3.88Å; K14-E18 WeakPolarHBondContact O-CB 3.39Å; K14-E18 WeakPolarHBondContact O-CG 3.34Å; K14-E18 PolarHBondContact O-N 2.82Å; R15-E18 PolarHBondContact O-N 3.11Å
19D89.1Confident93Very high119 Ų11965.2 Ų65.264%0.63635%0.353SS*.SBendtrans-139.473-178.2-171.428.1000110.2R15 P21R15-D19 PolarHBondContact O-N 2.94Å; D19-P21 WeakPolarHBondContact O-CD 3.49Å
20P88.5Confident92.6Very high77 Ų7774.2 Ų74.250%0.540%0.395SS..PPolyproline II helixtrans-69.8124.8-179.826.7-32.2000110.3L16L16-P20 VanDerWaalsContact O-CA 3.28Å; L16-P20 WeakPolarHBondContact O-CA 3.46Å; L16-P20 WeakPolarHBondContact O-CB 3.4Å
21P91.4Very high92.4Very high35 Ų3576.7 Ų76.723%0.22741%0.41CS..PPolyproline II helixtrans-63.1148173.9-12.424.6000110.9D19 G23 V24D19-P21 WeakPolarHBondContact O-CD 3.49Å; P21-G23 PolarHBondContact O-N 3.27Å; P21-V24 HydrophobicContact CB-CG2 3.67Å; P21-V24 HydrophobicContact CG-CG2 3.75Å; P21-V24 PolarHBondContact O-N 3.07Å
22A91.1Very high92.3Very high90 Ų9072.6 Ų72.674%0.74440%0.4SS*.THydrogen-bonded Turntrans-60.3130.6-178.200000111.5V24 Q110A22-V24 VanDerWaalsContact C-N 3.28Å; A22-V24 PolarHBondContact O-N 3.09Å; A22-Q110 PolarHBondContact O-NE2 3.21Å; A22-Q110 PolarHBondContact O-OE1 2.72Å
23G90.9Very high92.3Very high28 Ų2873.9 Ų73.929%0.28941%0.406SS..THydrogen-bonded Turntrans74.210.817600000115.2P21 F41 Q110P21-G23 PolarHBondContact O-N 3.27Å; G23-F41 WeakPolarHBondContact O-CD2 3.32Å; G23-F41 PolarHBondContact O-N 3.34Å; G23-Q110 PolarHBondContact O-NE2 3.35Å
24V94.2Very high92.3Very high8 Ų872.8 Ų72.85%0.04840%0.402CS..EExtended strand (participates in β ladder)trans-132.3149.2171.6-50.80000111.6P21 A22 I39 I40 L106 Q110P21-V24 HydrophobicContact CB-CG2 3.67Å; P21-V24 HydrophobicContact CG-CG2 3.75Å; P21-V24 PolarHBondContact O-N 3.07Å; A22-V24 VanDerWaalsContact C-N 3.28Å; A22-V24 PolarHBondContact O-N 3.09Å; V24-I39 CarbonylContact C-O 3.57Å; V24-I39 WeakPolarHBondContact CA-O 3.33Å; V24-I40 HydrophobicContact CB-CG1 4.47Å; V24-I40 HydrophobicContact CG1-CG1 4.02Å; V24-I40 HydrophobicContact CG1-CG2 4.42Å; V24-L106 HydrophobicContact CB-CB 3.95Å; V24-L106 HydrophobicContact CB-CD1 4.4Å; V24-L106 HydrophobicContact CG1-CB 4.18Å; V24-L106 HydrophobicContact CG2-CB 3.97Å; V24-L106 HydrophobicContact CG2-CD1 4.43Å; V24-Q110 HydrophobicContact CG1-CB 4.08Å; V24-Q110 HydrophobicContact CG1-CG 4.47Å
25S93.3Very high92.4Very high49 Ų4969 Ų6934%0.34339%0.389SS..EExtended strand (participates in β ladder)trans-150157.4174.462.90000110.6A38 I39S25-A38 CarbonylContact O-C 3.58Å; S25-A38 WeakPolarHBondContact O-CA 3.26Å; S25-A38 VanDerWaalsContact O-CB 3.26Å; S25-A38 WeakPolarHBondContact O-CB 3.48Å; S25-I39 PolarHBondContact N-O 3.35Å; S25-I39 PolarHBondContact O-N 3.36Å
26G94.6Very high92.7Very high15 Ų1562.3 Ų62.316%0.15536%0.363CS..EExtended strand (participates in β ladder)trans-166.4151.1177.100000113.1L16 N37L16-G26 WeakPolarHBondContact CD2-O 3.43Å; G26-N37 CarbonylContact C-O 3.55Å; G26-N37 VanDerWaalsContact CA-O 3.28Å; G26-N37 WeakPolarHBondContact CA-O 3.45Å
27A95.2Very high92.8Very high42 Ų4266 Ų6635%0.34738%0.383SS..EExtended strand (participates in β ladder)trans-149.1149178.100000111.2F13 W36 N37F13-A27 HydrophobicContact CE2-CB 3.91Å; A27-W36 CarbonylContact O-C 3.39Å; A27-W36 VanDerWaalsContact O-CA 3.26Å; A27-W36 WeakPolarHBondContact O-CA 3.36Å; A27-W36 WeakPolarHBondContact O-CB 3.28Å; A27-N37 PolarHBondContact N-O 3.35Å; A27-N37 PolarHBondContact O-N 2.93Å
28P95.9Very high93.1Very high36 Ų3660 Ų6023%0.23436%0.356CS..EExtended strand (participates in β ladder)trans-62.4147.9169.827.6-33.3000110.5F13 I33 W36F13-P28 VanDerWaalsContact CD2-CD 3.43Å; F13-P28 HydrophobicContact CD2-CG 4.37Å; F13-P28 HydrophobicContact CE2-CG 4.35Å; F13-P28 HydrophobicContact CG-CG 4.49Å; F13-P28 HydrophobicContact CZ-CG 4.41Å; P28-I33 HydrophobicContact CB-CG1 4.23Å; P28-W36 HydrophobicContact CB-CD2 4.35Å; P28-W36 HydrophobicContact CB-CG 4.33Å
29S94Very high93.3Very high43 Ų4356 Ų5630%0.30134%0.338SS..EExtended strand (participates in β ladder)trans-67.4144.6171.5-163.20000109.9N31 N32 V35S29-N31 PolarHBondContact O-N 3.04Å; S29-N32 CarbonylContact O-C 3.59Å; S29-N32 PolarHBondContact O-N 3.09Å; S29-N32 VanDerWaalsContact O-N 3.09Å; S29-V35 VanDerWaalsContact CB-O 3.29Å; S29-V35 WeakPolarHBondContact CB-O 3.26Å; S29-V35 PolarHBondContact N-O 3.49Å
30E88.4Confident93.6Very high190 Ų19050.4 Ų50.489%0.88831%0.308SS*.THydrogen-bonded Turntrans-51.6-38-171-64.7-177.5168.100113.3
31N89.4Confident93.9Very high157 Ų15751.2 Ų51.284%0.8430%0.304SS*.THydrogen-bonded Turntrans-101.2-9.9-173.2-61.9-39.3000113.7S29S29-N31 PolarHBondContact O-N 3.04Å
32N92.3Very high94Very high66 Ų6650 Ų5035%0.35330%0.298SS..EExtended strand (participates in β ladder)trans-152.2105.5-174-170.11000112.7S29 M34 V35S29-N32 CarbonylContact O-C 3.59Å; S29-N32 PolarHBondContact O-N 3.09Å; S29-N32 VanDerWaalsContact O-N 3.09Å; N32-M34 PolarHBondContact O-N 3.07Å; N32-M34 VanDerWaalsContact O-N 3.12Å; N32-M34 WeakPolarHBondContact OD1-CB 3.41Å; N32-M34 PolarHBondContact OD1-N 3.15Å; N32-V35 PolarHBondContact O-N 3.5Å
33I93.5Very high94.2Very high30 Ų3046.9 Ų46.915%0.15427%0.27CS..EExtended strand (participates in β ladder)trans-61.9-18.5175.2-163.7173000113.7R6 L9 M10 P28 V35 W36R6-I33 HydrophobicContact CG-CG2 3.89Å; L9-I33 HydrophobicContact CB-CD1 4.11Å; L9-I33 HydrophobicContact CB-CG1 4.15Å; L9-I33 HydrophobicContact CD1-CG1 4.46Å; M10-I33 HydrophobicContact CG-CD1 3.61Å; M10-I33 HydrophobicContact SD-CD1 3.37Å; M10-I33 WeakPolarHBondContact SD-CD1 3.19Å; P28-I33 HydrophobicContact CB-CG1 4.23Å; I33-V35 PolarHBondContact O-N 2.93Å; I33-W36 PolarHBondContact O-NE1 3.36Å
34M95.6Very high94.2Very high15 Ų1553.9 Ų53.97%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-80.8-4.6176.1-60.7-57.5-162.800113.1A5 R6 L9 N32 F59 E61A5-M34 HydrophobicContact CB-CE 4.1Å; R6-M34 HydrophobicContact CG-CE 3.69Å; L9-M34 HydrophobicContact CD1-SD 3.41Å; L9-M34 WeakPolarHBondContact CD1-SD 3.28Å; N32-M34 PolarHBondContact O-N 3.07Å; N32-M34 VanDerWaalsContact O-N 3.12Å; N32-M34 WeakPolarHBondContact OD1-CB 3.41Å; N32-M34 PolarHBondContact OD1-N 3.15Å; M34-F59 HydrophobicContact CB-CB 4.41Å; M34-F59 WeakPolarHBondContact O-CD2 3.41Å; M34-F59 PolarHBondContact O-N 3.24Å; M34-F59 HydrophobicContact SD-CB 4.03Å; M34-E61 HydrophobicContact CE-CG 3.93Å; M34-E61 WeakPolarHBondContact CE-OE1 3.46Å; M34-E61 VanDerWaalsContact CE-OE2 3.29Å; M34-E61 WeakPolarHBondContact CE-OE2 3.41Å
35V96.8Very high94Very high39 Ų3956.9 Ų56.924%0.23633%0.328CS..EExtended strand (participates in β ladder)trans-124.6122.9176.9-179.50000107.8S29 N32 I33 T56 I57S29-V35 VanDerWaalsContact CB-O 3.29Å; S29-V35 WeakPolarHBondContact CB-O 3.26Å; S29-V35 PolarHBondContact N-O 3.49Å; N32-V35 PolarHBondContact O-N 3.5Å; I33-V35 PolarHBondContact O-N 2.93Å; V35-T56 HydrophobicContact CG1-CG2 3.82Å; V35-I57 CarbonylContact C-O 2.86Å; V35-I57 WeakPolarHBondContact CA-O 3.46Å
36W97.3Very high94Very high0 Ų055.1 Ų55.10%032%0.315CS..EExtended strand (participates in β ladder)trans-117.8145.5179.3-71.142.3000110.3L9 F13 L16 A27 P28 I33 T56 I57 F59 V102L9-W36 HydrophobicContact CB-CZ2 4.28Å; L9-W36 HydrophobicContact CD2-CZ2 4.29Å; F13-W36 VanDerWaalsContact CA-CH2 3.44Å; F13-W36 HydrophobicContact CB-CH2 3.42Å; F13-W36 VanDerWaalsContact CB-CH2 3.42Å; F13-W36 HydrophobicContact CB-CZ2 3.87Å; F13-W36 HydrophobicContact CB-CZ3 4.27Å; F13-W36 AromaticContact CD2-CH2 3.93Å; F13-W36 HydrophobicContact CD2-CH2 3.93Å; F13-W36 AromaticContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CD2-CZ3 3.98Å; F13-W36 HydrophobicContact CG-CH2 4.11Å; L16-W36 HydrophobicContact CD2-CZ3 4.07Å; A27-W36 CarbonylContact O-C 3.39Å; A27-W36 VanDerWaalsContact O-CA 3.26Å; A27-W36 WeakPolarHBondContact O-CA 3.36Å; A27-W36 WeakPolarHBondContact O-CB 3.28Å; P28-W36 HydrophobicContact CB-CD2 4.35Å; P28-W36 HydrophobicContact CB-CG 4.33Å; I33-W36 PolarHBondContact O-NE1 3.36Å; W36-T56 CarbonylContact O-C 3.6Å; W36-T56 WeakPolarHBondContact O-CA 3.17Å; W36-I57 HydrophobicContact CB-CB 4.2Å; W36-I57 PolarHBondContact N-O 3.44Å; W36-I57 PolarHBondContact O-N 3.26Å; W36-F59 HydrophobicContact CB-CE2 4.18Å; W36-F59 AromaticContact CD1-CD2 3.83Å; W36-F59 AromaticContact CD1-CE2 3.43Å; W36-F59 VanDerWaalsContact CD1-CE2 3.43Å; W36-F59 HydrophobicContact CD2-CE2 4.14Å; W36-F59 HydrophobicContact CG-CD2 4.48Å; W36-F59 AromaticContact CG-CE2 3.69Å; W36-F59 HydrophobicContact CG-CE2 3.69Å; W36-F59 AromaticContact NE1-CE2 3.75Å; W36-V102 HydrophobicContact CE3-CG1 4Å; W36-V102 HydrophobicContact CE3-CG2 4.47Å; W36-V102 HydrophobicContact CH2-CG2 3.99Å; W36-V102 HydrophobicContact CZ3-CB 4.18Å; W36-V102 HydrophobicContact CZ3-CG1 3.79Å; W36-V102 HydrophobicContact CZ3-CG2 4.01Å
37N96.1Very high93.9Very high84 Ų8456.3 Ų56.345%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-102.5132167.9-60.6-57.8000107.8G26 A27 L55G26-N37 CarbonylContact C-O 3.55Å; G26-N37 VanDerWaalsContact CA-O 3.28Å; G26-N37 WeakPolarHBondContact CA-O 3.45Å; A27-N37 PolarHBondContact N-O 3.35Å; A27-N37 PolarHBondContact O-N 2.93Å; N37-L55 WeakPolarHBondContact CA-O 3.39Å
38A95.9Very high93.9Very high2 Ų254.4 Ų54.42%0.01730%0.304CS..EExtended strand (participates in β ladder)trans-131156.217900000110.9S25 K54 L55 I57 L106S25-A38 CarbonylContact O-C 3.58Å; S25-A38 WeakPolarHBondContact O-CA 3.26Å; S25-A38 VanDerWaalsContact O-CB 3.26Å; S25-A38 WeakPolarHBondContact O-CB 3.48Å; A38-K54 CarbonylContact O-C 3.5Å; A38-K54 WeakPolarHBondContact O-CA 3.29Å; A38-L55 HydrophobicContact CB-CB 4.38Å; A38-L55 PolarHBondContact N-O 2.97Å; A38-L55 PolarHBondContact O-N 3.3Å; A38-I57 HydrophobicContact CB-CD1 4.21Å; A38-L106 HydrophobicContact CB-CD1 4.11Å; A38-L106 HydrophobicContact CB-CD2 3.62Å
39I95.2Very high93.9Very high52 Ų5256.6 Ų56.627%0.26731%0.311SS..EExtended strand (participates in β ladder)trans-128.4132.5175.9-58.9175.3000107.6V24 S25 F41 T52 F53 K54V24-I39 CarbonylContact C-O 3.57Å; V24-I39 WeakPolarHBondContact CA-O 3.33Å; S25-I39 PolarHBondContact N-O 3.35Å; S25-I39 PolarHBondContact O-N 3.36Å; I39-F41 HydrophobicContact CG2-CE2 4.39Å; I39-F41 HydrophobicContact CG2-CZ 4.35Å; I39-T52 HydrophobicContact CG2-CG2 3.54Å; I39-F53 CarbonylContact C-O 3.56Å; I39-F53 WeakPolarHBondContact CA-O 3.49Å; I39-K54 HydrophobicContact CG1-CG 4.46Å
40I95.7Very high93.8Very high0 Ų060.1 Ų60.10%033%0.326CS..EExtended strand (participates in β ladder)trans-117.7124.7171.2-66.2174.6000107.6V24 F53 L55 L106 I109 Q110 L113V24-I40 HydrophobicContact CB-CG1 4.47Å; V24-I40 HydrophobicContact CG1-CG1 4.02Å; V24-I40 HydrophobicContact CG1-CG2 4.42Å; I40-F53 PolarHBondContact N-O 3.36Å; I40-F53 PolarHBondContact O-N 3.28Å; I40-L55 HydrophobicContact CB-CD1 4.01Å; I40-L55 HydrophobicContact CD1-CD1 3.69Å; I40-L55 HydrophobicContact CD1-CD2 4.01Å; I40-L55 HydrophobicContact CG1-CD1 3.65Å; I40-L106 HydrophobicContact CD1-CD2 4.1Å; I40-L106 HydrophobicContact CG1-CD2 4.26Å; I40-I109 HydrophobicContact CD1-CB 3.69Å; I40-I109 HydrophobicContact CD1-CG2 3.45Å; I40-I109 VanDerWaalsContact CD1-CG2 3.45Å; I40-Q110 HydrophobicContact CG2-CB 3.87Å; I40-Q110 HydrophobicContact CG2-CG 4.05Å; I40-L113 HydrophobicContact CG2-CD1 4.1Å
41F95.1Very high94.1Very high95 Ų9551 Ų5142%0.41728%0.284SS..EExtended strand (participates in β ladder)trans-81.4136.6167.8-64-78.6000109.1G23 I39 G51 T52 Q110G23-F41 WeakPolarHBondContact O-CD2 3.32Å; G23-F41 PolarHBondContact O-N 3.34Å; I39-F41 HydrophobicContact CG2-CE2 4.39Å; I39-F41 HydrophobicContact CG2-CZ 4.35Å; F41-G51 WeakPolarHBondContact CA-O 3.46Å; F41-T52 HydrophobicContact CD1-CG2 4.42Å; F41-T52 HydrophobicContact CE1-CG2 3.96Å; F41-Q110 PolarHBondContact O-NE2 3.01Å
42G94.1Very high94.4Very high10 Ų1044.7 Ų44.710%0.10325%0.251CS..PPolyproline II helixtrans-58.9135.4175.300000111.5F48 G51G42-F48 VanDerWaalsContact CA-O 3.32Å; G42-F48 WeakPolarHBondContact CA-O 3.43Å; G42-G51 PolarHBondContact N-O 3.2Å
43P94.1Very high94.6Very high23 Ų2341.5 Ų41.515%0.14923%0.234CC..PPolyproline II helixtrans-64.3143.4179.6-16.228000112T46 Q110 L113 D114P43-T46 HydrophobicContact CB-CG2 3.81Å; P43-T46 HydrophobicContact CG-CG2 4.26Å; P43-T46 WeakPolarHBondContact O-CB 3.45Å; P43-T46 PolarHBondContact O-N 3.43Å; P43-T46 PolarHBondContact O-OG1 3.4Å; P43-Q110 HydrophobicContact CG-CG 3.89Å; P43-L113 HydrophobicContact CG-CB 4.4Å; P43-D114 HydrophobicContact CG-CB 4.36Å
44E91.7Very high94.7Very high175 Ų17542.8 Ų42.882%0.81824%0.238SC*.THydrogen-bonded Turntrans-60.1142.1174.7-67.6-177.6-17800111.2T46E44-T46 PolarHBondContact O-N 2.88Å
45G89.9Confident94.7Very high72 Ų7242.1 Ų42.174%0.74224%0.235SC*.THydrogen-bonded Turntrans78.93.5-179.100000114.4E49G45-E49 PolarHBondContact N-OE2 2.85Å
46T92.8Very high94.7Very high11 Ų1141.2 Ų41.27%0.06723%0.23CC..SBendtrans-106.7159.9175.676.30000111.1P43 E44 F48 E49 D114P43-T46 HydrophobicContact CB-CG2 3.81Å; P43-T46 HydrophobicContact CG-CG2 4.26Å; P43-T46 WeakPolarHBondContact O-CB 3.45Å; P43-T46 PolarHBondContact O-N 3.43Å; P43-T46 PolarHBondContact O-OG1 3.4Å; E44-T46 PolarHBondContact O-N 2.88Å; T46-F48 PolarHBondContact O-N 2.79Å; T46-F48 PolarHBondContact OG1-N 3.34Å; T46-E49 VanDerWaalsContact O-CB 3.24Å; T46-E49 WeakPolarHBondContact O-CB 2.95Å; T46-E49 PolarHBondContact O-N 3.1Å; T46-D114 HydrophobicContact CG2-CB 3.87Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.41Å
47P93.4Very high94.7Very high41 Ų4141.2 Ų41.227%0.26623%0.23SC..THydrogen-bonded Turntrans-60.8-15.1173.2-22.835.3000113.7Y137 E138 V141P47-Y137 HydrophobicContact CG-CE1 4.38Å; P47-E138 HydrophobicContact CB-CG 4.16Å; P47-E138 HydrophobicContact CG-CG 3.85Å; P47-V141 HydrophobicContact CB-CB 4.02Å; P47-V141 HydrophobicContact CB-CG1 3.87Å; P47-V141 VanDerWaalsContact O-CG1 3.28Å; P47-V141 WeakPolarHBondContact O-CG1 3.12Å
48F95.3Very high94.8Very high1 Ų141.2 Ų41.20%0.00423%0.227CC..THydrogen-bonded Turntrans-88.2-7.3178.6-65.7-82.8000113.4G42 T46 G51 F53 M76 H78 L113 Y137 V141G42-F48 VanDerWaalsContact CA-O 3.32Å; G42-F48 WeakPolarHBondContact CA-O 3.43Å; T46-F48 PolarHBondContact O-N 2.79Å; T46-F48 PolarHBondContact OG1-N 3.34Å; F48-G51 WeakPolarHBondContact O-CA 3.32Å; F48-G51 PolarHBondContact O-N 2.91Å; F48-F53 HydrophobicContact CB-CE2 4.04Å; F48-F53 HydrophobicContact CB-CZ 4.31Å; F48-F53 AromaticContact CD1-CE2 3.96Å; F48-F53 HydrophobicContact CD1-CE2 3.96Å; F48-F53 AromaticContact CD1-CZ 3.72Å; F48-F53 HydrophobicContact CD1-CZ 3.72Å; F48-F53 HydrophobicContact CG-CE2 4.45Å; F48-M76 HydrophobicContact CD1-CE 4.34Å; F48-M76 HydrophobicContact CE1-CE 3.95Å; F48-H78 AromaticContact CE2-CD2 3.86Å; F48-H78 HydrophobicContact CZ-CB 4.23Å; F48-H78 AromaticContact CZ-CD2 3.73Å; F48-L113 HydrophobicContact CD1-CD2 4.37Å; F48-L113 HydrophobicContact CD2-CB 4.07Å; F48-L113 WeakPolarHBondContact CD2-O 3.03Å; F48-L113 HydrophobicContact CE1-CD2 4.28Å; F48-L113 HydrophobicContact CE2-CB 4.49Å; F48-L113 HydrophobicContact CE2-CD2 4.45Å; F48-L113 HydrophobicContact CG-CB 4.38Å; F48-L113 HydrophobicContact CZ-CD2 4.34Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.35Å; F48-V141 HydrophobicContact CD1-CG1 3.43Å; F48-V141 VanDerWaalsContact CD1-CG1 3.43Å; F48-V141 HydrophobicContact CD2-CG1 4.1Å; F48-V141 HydrophobicContact CE1-CB 4.48Å; F48-V141 HydrophobicContact CE1-CG1 3.41Å; F48-V141 VanDerWaalsContact CE1-CG1 3.41Å; F48-V141 HydrophobicContact CE1-CG2 4.25Å; F48-V141 HydrophobicContact CE2-CG1 4.07Å; F48-V141 HydrophobicContact CE2-CG2 4.41Å; F48-V141 HydrophobicContact CG-CG1 3.78Å; F48-V141 HydrophobicContact CZ-CG1 3.73Å; F48-V141 HydrophobicContact CZ-CG2 3.91Å
49E94.5Very high94.8Very high82 Ų8241.8 Ų41.838%0.38323%0.229SC..THydrogen-bonded Turntrans-45.9144.1178-174.7172.6170.900111.7G45 T46 G51G45-E49 PolarHBondContact N-OE2 2.85Å; T46-E49 VanDerWaalsContact O-CB 3.24Å; T46-E49 WeakPolarHBondContact O-CB 2.95Å; T46-E49 PolarHBondContact O-N 3.1Å; E49-G51 PolarHBondContact O-N 2.8Å
50D93.3Very high94.9Very high117 Ų11742.7 Ų42.763%0.62624%0.237SC*.THydrogen-bonded Turntrans62-4.2-171.7-59.3-40.8000116.1W149D50-W149 HydrophobicContact CB-CZ2 4.09Å; D50-W149 PolarHBondContact O-NE1 3.37Å
51G94.4Very high94.8Very high0 Ų047.1 Ų47.10%026%0.258CS..  trans-68.9140.7174.400000112.7F41 G42 F48 E49F41-G51 WeakPolarHBondContact CA-O 3.46Å; G42-G51 PolarHBondContact N-O 3.2Å; F48-G51 WeakPolarHBondContact O-CA 3.32Å; F48-G51 PolarHBondContact O-N 2.91Å; E49-G51 PolarHBondContact O-N 2.8Å
52T95.3Very high94.9Very high23 Ų2347.1 Ų47.114%0.14126%0.259CS..EExtended strand (participates in β ladder)trans-119.993.3176.7-57.20000109.9I39 F41 S148I39-T52 HydrophobicContact CG2-CG2 3.54Å; F41-T52 HydrophobicContact CD1-CG2 4.42Å; F41-T52 HydrophobicContact CE1-CG2 3.96Å; T52-S148 PolarHBondContact N-OG 2.89Å; T52-S148 WeakPolarHBondContact O-CB 3.41Å
53F96Very high94.9Very high0 Ų046.9 Ų46.90%026%0.255CS..EExtended strand (participates in β ladder)trans-97.4123.8-171.2-52.6-67.5000111.6I39 I40 F48 L55 F72 M76 L113 I144 V145I39-F53 CarbonylContact C-O 3.56Å; I39-F53 WeakPolarHBondContact CA-O 3.49Å; I40-F53 PolarHBondContact N-O 3.36Å; I40-F53 PolarHBondContact O-N 3.28Å; F48-F53 HydrophobicContact CB-CE2 4.04Å; F48-F53 HydrophobicContact CB-CZ 4.31Å; F48-F53 AromaticContact CD1-CE2 3.96Å; F48-F53 HydrophobicContact CD1-CE2 3.96Å; F48-F53 AromaticContact CD1-CZ 3.72Å; F48-F53 HydrophobicContact CD1-CZ 3.72Å; F48-F53 HydrophobicContact CG-CE2 4.45Å; F53-L55 WeakPolarHBondContact O-CD1 3.4Å; F53-F72 HydrophobicContact CB-CD1 4Å; F53-F72 HydrophobicContact CB-CE1 3.72Å; F53-F72 HydrophobicContact CG-CE1 4.46Å; F53-M76 HydrophobicContact CB-SD 4.26Å; F53-M76 HydrophobicContact CD1-CE 4.07Å; F53-M76 HydrophobicContact CD1-SD 3.32Å; F53-M76 WeakPolarHBondContact CD1-SD 3.43Å; F53-M76 HydrophobicContact CD2-CE 4.48Å; F53-M76 HydrophobicContact CE1-CE 4.3Å; F53-M76 HydrophobicContact CE1-SD 3.8Å; F53-M76 HydrophobicContact CG-CE 4.17Å; F53-M76 HydrophobicContact CG-SD 3.82Å; F53-L113 HydrophobicContact CD2-CD1 4.19Å; F53-L113 HydrophobicContact CE2-CD1 4.39Å; F53-I144 HydrophobicContact CE1-CG2 4.11Å; F53-V145 HydrophobicContact CZ-CG2 4.01Å
54K95.7Very high95Very high56 Ų5646.9 Ų46.924%0.24326%0.255CS..EExtended strand (participates in β ladder)trans-88.4138.1177.8-62.1-179.4179.8-176.30110.3A38 I39 V73 S74 D151A38-K54 CarbonylContact O-C 3.5Å; A38-K54 WeakPolarHBondContact O-CA 3.29Å; I39-K54 HydrophobicContact CG1-CG 4.46Å; K54-V73 HydrophobicContact CB-CB 4.17Å; K54-V73 PolarHBondContact O-N 3.25Å; K54-S74 PolarHBondContact N-OG 3.45Å; K54-S74 PolarHBondContact O-N 3.44Å; K54-D151 PolarHBondContact NZ-O 2.9Å
55L96.3Very high95.1Very high2 Ų244.5 Ų44.51%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-130.6153.3177.8-55.493.1000110.9N37 A38 I40 F53 V70 R71 F72 I87 I109N37-L55 WeakPolarHBondContact CA-O 3.39Å; A38-L55 HydrophobicContact CB-CB 4.38Å; A38-L55 PolarHBondContact N-O 2.97Å; A38-L55 PolarHBondContact O-N 3.3Å; I40-L55 HydrophobicContact CB-CD1 4.01Å; I40-L55 HydrophobicContact CD1-CD1 3.69Å; I40-L55 HydrophobicContact CD1-CD2 4.01Å; I40-L55 HydrophobicContact CG1-CD1 3.65Å; F53-L55 WeakPolarHBondContact O-CD1 3.4Å; L55-V70 HydrophobicContact CD2-CG1 3.9Å; L55-R71 CarbonylContact C-O 3.54Å; L55-R71 VanDerWaalsContact CA-O 3.25Å; L55-R71 WeakPolarHBondContact CA-O 2.74Å; L55-R71 WeakPolarHBondContact CB-O 3.38Å; L55-F72 HydrophobicContact CD1-CD1 4.15Å; L55-F72 HydrophobicContact CD1-CE1 3.88Å; L55-F72 HydrophobicContact CD2-CD1 3.84Å; L55-F72 HydrophobicContact CD2-CD2 4.34Å; L55-F72 HydrophobicContact CD2-CE1 3.62Å; L55-F72 HydrophobicContact CD2-CE2 4.15Å; L55-F72 HydrophobicContact CD2-CG 4.2Å; L55-F72 HydrophobicContact CD2-CZ 3.79Å; L55-F72 HydrophobicContact CG-CD1 3.59Å; L55-F72 HydrophobicContact CG-CE1 3.68Å; L55-F72 HydrophobicContact CG-CG 4.21Å; L55-F72 HydrophobicContact CG-CZ 4.37Å; L55-I87 HydrophobicContact CD2-CD1 3.98Å; L55-I109 HydrophobicContact CD2-CD1 4.21Å; L55-I109 HydrophobicContact CD2-CG2 4.14Å
56T96.7Very high95.3Very high19 Ų1945.8 Ų45.812%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-115134.7166.5-58.20000109.2V35 W36 E58 R71 V73V35-T56 HydrophobicContact CG1-CG2 3.82Å; W36-T56 CarbonylContact O-C 3.6Å; W36-T56 WeakPolarHBondContact O-CA 3.17Å; T56-E58 HydrophobicContact CG2-CG 4.11Å; T56-R71 PolarHBondContact N-O 2.94Å; T56-R71 PolarHBondContact O-N 3.28Å; T56-V73 WeakPolarHBondContact OG1-CG2 3.48Å
57I97.3Very high95.5Very high0 Ų047.1 Ų47.10%024%0.242CC..EExtended strand (participates in β ladder)trans-115.7121.4175.1-49.6170.4000108V35 W36 A38 F59 P68 T69 V70 V102 L106V35-I57 CarbonylContact C-O 2.86Å; V35-I57 WeakPolarHBondContact CA-O 3.46Å; W36-I57 HydrophobicContact CB-CB 4.2Å; W36-I57 PolarHBondContact N-O 3.44Å; W36-I57 PolarHBondContact O-N 3.26Å; A38-I57 HydrophobicContact CB-CD1 4.21Å; I57-F59 HydrophobicContact CB-CE2 3.97Å; I57-F59 HydrophobicContact CB-CZ 4.24Å; I57-F59 HydrophobicContact CG2-CD2 4.14Å; I57-F59 HydrophobicContact CG2-CE1 3.99Å; I57-F59 HydrophobicContact CG2-CE2 3.43Å; I57-F59 VanDerWaalsContact CG2-CE2 3.43Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; I57-P68 HydrophobicContact CG2-CB 3.59Å; I57-P68 HydrophobicContact CG2-CG 3.91Å; I57-T69 WeakPolarHBondContact CA-O 3.43Å; I57-V70 HydrophobicContact CG1-CG1 4.16Å; I57-V70 HydrophobicContact CG1-CG2 4.28Å; I57-V70 HydrophobicContact CG2-CG2 4.11Å; I57-V102 HydrophobicContact CD1-CG1 4.09Å; I57-L106 HydrophobicContact CD1-CD2 4.11Å
58E97.3Very high95.6Very high85 Ų8545.4 Ų45.440%0.39723%0.231SC..EExtended strand (participates in β ladder)trans-110.3120.4179.7-64.2-178.8-15600109.9T56 P68 T69T56-E58 HydrophobicContact CG2-CG 4.11Å; E58-P68 CarbonylContact O-C 3.57Å; E58-P68 VanDerWaalsContact O-CA 3.28Å; E58-P68 WeakPolarHBondContact O-CA 3.41Å; E58-P68 VanDerWaalsContact O-CB 3.29Å; E58-P68 WeakPolarHBondContact O-CB 3.26Å; E58-T69 PolarHBondContact N-O 3.39Å; E58-T69 PolarHBondContact O-N 2.96Å
59F96.9Very high95.7Very high14 Ų1449.6 Ų49.66%0.06126%0.257CS..  trans-102.8156.6179.6-59.2-89.3000110.8L9 M34 W36 I57 Y63 P68 V102L9-F59 HydrophobicContact CD1-CB 4.15Å; L9-F59 HydrophobicContact CD1-CD2 4.37Å; L9-F59 HydrophobicContact CD1-CG 4.15Å; L9-F59 HydrophobicContact CD2-CD1 3.53Å; L9-F59 HydrophobicContact CD2-CD2 3.86Å; L9-F59 HydrophobicContact CD2-CE1 3.53Å; L9-F59 HydrophobicContact CD2-CE2 3.87Å; L9-F59 HydrophobicContact CD2-CG 3.7Å; L9-F59 HydrophobicContact CD2-CZ 3.7Å; M34-F59 HydrophobicContact CB-CB 4.41Å; M34-F59 WeakPolarHBondContact O-CD2 3.41Å; M34-F59 PolarHBondContact O-N 3.24Å; M34-F59 HydrophobicContact SD-CB 4.03Å; W36-F59 HydrophobicContact CB-CE2 4.18Å; W36-F59 AromaticContact CD1-CD2 3.83Å; W36-F59 AromaticContact CD1-CE2 3.43Å; W36-F59 VanDerWaalsContact CD1-CE2 3.43Å; W36-F59 HydrophobicContact CD2-CE2 4.14Å; W36-F59 HydrophobicContact CG-CD2 4.48Å; W36-F59 AromaticContact CG-CE2 3.69Å; W36-F59 HydrophobicContact CG-CE2 3.69Å; W36-F59 AromaticContact NE1-CE2 3.75Å; I57-F59 HydrophobicContact CB-CE2 3.97Å; I57-F59 HydrophobicContact CB-CZ 4.24Å; I57-F59 HydrophobicContact CG2-CD2 4.14Å; I57-F59 HydrophobicContact CG2-CE1 3.99Å; I57-F59 HydrophobicContact CG2-CE2 3.43Å; I57-F59 VanDerWaalsContact CG2-CE2 3.43Å; I57-F59 HydrophobicContact CG2-CZ 3.34Å; F59-Y63 HydrophobicContact CD1-CD1 4.1Å; F59-Y63 AromaticContact CD1-CD2 3.69Å; F59-Y63 HydrophobicContact CD1-CD2 3.69Å; F59-Y63 HydrophobicContact CD1-CE1 4.32Å; F59-Y63 AromaticContact CD1-CE2 4Å; F59-Y63 HydrophobicContact CD1-CE2 4Å; F59-Y63 AromaticContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CE1-CD1 4.49Å; F59-Y63 HydrophobicContact CE1-CD2 4.08Å; F59-Y63 HydrophobicContact CE1-CE1 4.26Å; F59-Y63 AromaticContact CE1-CE2 3.89Å; F59-Y63 HydrophobicContact CE1-CE2 3.89Å; F59-Y63 HydrophobicContact CE1-CG 4.41Å; F59-P68 HydrophobicContact CD1-CB 3.56Å; F59-P68 HydrophobicContact CD1-CG 4.13Å; F59-P68 HydrophobicContact CE1-CB 3.65Å; F59-P68 HydrophobicContact CE1-CG 3.78Å; F59-P68 HydrophobicContact CG-CB 4.16Å; F59-P68 HydrophobicContact CZ-CB 4.32Å; F59-P68 HydrophobicContact CZ-CG 4.48Å; F59-V102 HydrophobicContact CE1-CG2 4.32Å; F59-V102 HydrophobicContact CZ-CG2 3.8Å
60T96.3Very high95.8Very high70 Ų7046 Ų4643%0.42924%0.24SC..  trans-116167.8170.267.60000110.1E62 Y63T60-E62 PolarHBondContact O-N 2.97Å; T60-E62 PolarHBondContact OG1-N 3.39Å; T60-Y63 WeakPolarHBondContact O-CB 3.49Å; T60-Y63 PolarHBondContact O-N 3.31Å
61E95.5Very high95.9Very high93 Ų9345.7 Ų45.744%0.43523%0.23SC..THydrogen-bonded Turntrans-65.3-7.3174.1-66.6-70.9174.200112.8T3 R6 M34 Y63T3-E61 WeakPolarHBondContact CB-OE2 3.24Å; T3-E61 VanDerWaalsContact CG2-OE2 3.3Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.47Å; T3-E61 PolarHBondContact OG1-OE2 3.48Å; R6-E61 IonicContact CZ-OE1 3.51Å; R6-E61 IonicContact NE-OE1 2.66Å; R6-E61 PolarHBondContact NE-OE1 3.32Å; R6-E61 IonicContact NH2-OE1 3.3Å; M34-E61 HydrophobicContact CE-CG 3.93Å; M34-E61 WeakPolarHBondContact CE-OE1 3.46Å; M34-E61 VanDerWaalsContact CE-OE2 3.29Å; M34-E61 WeakPolarHBondContact CE-OE2 3.41Å; E61-Y63 VanDerWaalsContact C-N 3.34Å
62E95.3Very high96Very high95 Ų9546 Ų4644%0.44423%0.232SC..THydrogen-bonded Turntrans-85.4-4.8173.3-59.5-175.1-103.900113T60 N65 K66T60-E62 PolarHBondContact O-N 2.97Å; T60-E62 PolarHBondContact OG1-N 3.39Å; E62-N65 WeakPolarHBondContact O-CA 3.33Å; E62-N65 WeakPolarHBondContact O-CB 3.49Å; E62-N65 PolarHBondContact O-N 3.26Å; E62-K66 HydrophobicContact CB-CB 4.1Å; E62-K66 HydrophobicContact CB-CD 4.11Å; E62-K66 HydrophobicContact CB-CG 4.09Å; E62-K66 HydrophobicContact CG-CD 4.46Å; E62-K66 PolarHBondContact O-N 3.07Å; E62-K66 VanDerWaalsContact O-N 3.16Å; E62-K66 IonicContact OE1-NZ 2.75Å; E62-K66 PolarHBondContact OE1-NZ 2.92Å; E62-K66 WeakPolarHBondContact OE2-CD 3.28Å; E62-K66 WeakPolarHBondContact OE2-CE 3.36Å; E62-K66 IonicContact OE2-NZ 2.81Å; E62-K66 PolarHBondContact OE2-NZ 3.41Å
63Y95.5Very high96Very high5 Ų549 Ų492%0.0225%0.249CC..THydrogen-bonded Turntrans-64.3134.1174.6-174.2-105.9000111.1A5 R8 L9 D12 F59 T60 E61 W96 Y100A5-Y63 WeakPolarHBondContact CA-O 3.43Å; A5-Y63 VanDerWaalsContact CB-O 3.29Å; A5-Y63 WeakPolarHBondContact CB-O 3.34Å; R8-Y63 HydrophobicContact CB-CD1 4.43Å; R8-Y63 HydrophobicContact CB-CE1 4.41Å; R8-Y63 HydrophobicContact CG-CD1 3.89Å; R8-Y63 HydrophobicContact CG-CE1 3.48Å; R8-Y63 VanDerWaalsContact CG-CE1 3.48Å; L9-Y63 HydrophobicContact CD2-CD1 3.71Å; L9-Y63 HydrophobicContact CD2-CE1 3.63Å; L9-Y63 HydrophobicContact CG-CD1 3.93Å; L9-Y63 HydrophobicContact CG-CE1 4.18Å; D12-Y63 PolarHBondContact OD2-OH 3.02Å; F59-Y63 HydrophobicContact CD1-CD1 4.1Å; F59-Y63 AromaticContact CD1-CD2 3.69Å; F59-Y63 HydrophobicContact CD1-CD2 3.69Å; F59-Y63 HydrophobicContact CD1-CE1 4.32Å; F59-Y63 AromaticContact CD1-CE2 4Å; F59-Y63 HydrophobicContact CD1-CE2 4Å; F59-Y63 AromaticContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CD1-CG 3.78Å; F59-Y63 HydrophobicContact CE1-CD1 4.49Å; F59-Y63 HydrophobicContact CE1-CD2 4.08Å; F59-Y63 HydrophobicContact CE1-CE1 4.26Å; F59-Y63 AromaticContact CE1-CE2 3.89Å; F59-Y63 HydrophobicContact CE1-CE2 3.89Å; F59-Y63 HydrophobicContact CE1-CG 4.41Å; T60-Y63 WeakPolarHBondContact O-CB 3.49Å; T60-Y63 PolarHBondContact O-N 3.31Å; E61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-W96 HydrophobicContact CD2-CZ2 4.27Å; Y63-W96 AromaticContact CE2-CH2 3.81Å; Y63-W96 HydrophobicContact CE2-CH2 3.81Å; Y63-W96 AromaticContact CE2-CZ2 3.75Å; Y63-W96 HydrophobicContact CE2-CZ2 3.75Å; Y63-Y100 PolarHBondContact OH-O 3.23Å
64P94.8Very high95.9Very high23 Ų2349.2 Ų49.215%0.14925%0.251CS..THydrogen-bonded Turncis-95.89.6839.7-38.6000115.1R8 K66 W96 P98R8-P64 HydrophobicContact CG-CB 4.42Å; R8-P64 HydrophobicContact CG-CG 4.29Å; P64-K66 VanDerWaalsContact C-N 3.31Å; P64-K66 PolarHBondContact O-N 2.96Å; P64-W96 WeakPolarHBondContact O-CZ2 3.5Å; P64-W96 PolarHBondContact O-NE1 3.36Å; P64-P98 HydrophobicContact CB-CB 4.15Å; P64-P98 HydrophobicContact CG-CB 4.08Å; P64-P98 WeakPolarHBondContact O-CA 3.37Å; P64-P98 WeakPolarHBondContact O-CB 3.33Å
65N94.9Very high95.7Very high126 Ų12653.1 Ų53.167%0.67427%0.268SS*.THydrogen-bonded Turntrans-68.4-33.9-179.5-62.8-33.7000111.8E62 W96E62-N65 WeakPolarHBondContact O-CA 3.33Å; E62-N65 WeakPolarHBondContact O-CB 3.49Å; E62-N65 PolarHBondContact O-N 3.26Å; N65-W96 PolarHBondContact O-NE1 3.35Å
66K94.6Very high95.6Very high99 Ų9954.1 Ų54.143%0.4327%0.273SS..SBendtrans-106.2146.3168.3-71.5-169.9-180161.70111.6E62 P64E62-K66 HydrophobicContact CB-CB 4.1Å; E62-K66 HydrophobicContact CB-CD 4.11Å; E62-K66 HydrophobicContact CB-CG 4.09Å; E62-K66 HydrophobicContact CG-CD 4.46Å; E62-K66 PolarHBondContact O-N 3.07Å; E62-K66 VanDerWaalsContact O-N 3.16Å; E62-K66 IonicContact OE1-NZ 2.75Å; E62-K66 PolarHBondContact OE1-NZ 2.92Å; E62-K66 WeakPolarHBondContact OE2-CD 3.28Å; E62-K66 WeakPolarHBondContact OE2-CE 3.36Å; E62-K66 IonicContact OE2-NZ 2.81Å; E62-K66 PolarHBondContact OE2-NZ 3.41Å; P64-K66 VanDerWaalsContact C-N 3.31Å; P64-K66 PolarHBondContact O-N 2.96Å
67P96Very high95.6Very high39 Ų3954.2 Ų54.225%0.25327%0.272SS..PPolyproline II helixtrans-65.2151.6174.327-32.2000110.6L92 W96P67-L92 WeakPolarHBondContact CG-O 3.33Å; P67-W96 HydrophobicContact CB-CB 4.17Å; P67-W96 HydrophobicContact CB-CD2 3.49Å; P67-W96 VanDerWaalsContact CB-CD2 3.49Å; P67-W96 HydrophobicContact CB-CE3 3.64Å; P67-W96 HydrophobicContact CB-CG 3.72Å; P67-W96 HydrophobicContact CB-CZ3 4.27Å; P67-W96 HydrophobicContact CG-CB 4.17Å; P67-W96 HydrophobicContact CG-CD2 4.31Å; P67-W96 HydrophobicContact CG-CG 4Å
68P96.8Very high95.4Very high4 Ų454.2 Ų54.23%0.02627%0.272CS..PPolyproline II helixtrans-72161164.232.2-33.3000111.2I57 E58 F59 I105I57-P68 HydrophobicContact CG2-CB 3.59Å; I57-P68 HydrophobicContact CG2-CG 3.91Å; E58-P68 CarbonylContact O-C 3.57Å; E58-P68 VanDerWaalsContact O-CA 3.28Å; E58-P68 WeakPolarHBondContact O-CA 3.41Å; E58-P68 VanDerWaalsContact O-CB 3.29Å; E58-P68 WeakPolarHBondContact O-CB 3.26Å; F59-P68 HydrophobicContact CD1-CB 3.56Å; F59-P68 HydrophobicContact CD1-CG 4.13Å; F59-P68 HydrophobicContact CE1-CB 3.65Å; F59-P68 HydrophobicContact CE1-CG 3.78Å; F59-P68 HydrophobicContact CG-CB 4.16Å; F59-P68 HydrophobicContact CZ-CB 4.32Å; F59-P68 HydrophobicContact CZ-CG 4.48Å; P68-I105 HydrophobicContact CG-CD1 3.72Å
69T96Very high95.3Very high90 Ų9050.3 Ų50.355%0.55225%0.254SS*.EExtended strand (participates in β ladder)trans-89.3130.6167.3-55.30000109.1I57 E58I57-T69 WeakPolarHBondContact CA-O 3.43Å; E58-T69 PolarHBondContact N-O 3.39Å; E58-T69 PolarHBondContact O-N 2.96Å
70V96.6Very high95.1Very high6 Ų649.7 Ų49.74%0.03625%0.252CS..EExtended strand (participates in β ladder)trans-121134.2179.5-169.60000109.7L55 I57 I87 L92 I105 I109L55-V70 HydrophobicContact CD2-CG1 3.9Å; I57-V70 HydrophobicContact CG1-CG1 4.16Å; I57-V70 HydrophobicContact CG1-CG2 4.28Å; I57-V70 HydrophobicContact CG2-CG2 4.11Å; V70-I87 HydrophobicContact CB-CD1 4.3Å; V70-I87 HydrophobicContact CG1-CD1 3.86Å; V70-L92 HydrophobicContact CB-CD1 4.06Å; V70-L92 HydrophobicContact CG2-CD1 3.83Å; V70-L92 HydrophobicContact CG2-CD2 4.24Å; V70-I105 HydrophobicContact CG2-CG2 4.1Å; V70-I109 HydrophobicContact CB-CD1 4.36Å; V70-I109 HydrophobicContact CG1-CD1 3.72Å; V70-I109 HydrophobicContact CG2-CD1 4.47Å
71R96.1Very high95.1Very high111 Ų11146.6 Ų46.642%0.41923%0.232SC..EExtended strand (participates in β ladder)trans-138.5142.1177.755.6-176.2-81.4-171.7-3.1110.9L55 T56 G85L55-R71 CarbonylContact C-O 3.54Å; L55-R71 VanDerWaalsContact CA-O 3.25Å; L55-R71 WeakPolarHBondContact CA-O 2.74Å; L55-R71 WeakPolarHBondContact CB-O 3.38Å; T56-R71 PolarHBondContact N-O 2.94Å; T56-R71 PolarHBondContact O-N 3.28Å; R71-G85 CarbonylContact C-O 3.43Å; R71-G85 VanDerWaalsContact CA-O 3.3Å; R71-G85 WeakPolarHBondContact CA-O 3.43Å
72F96.3Very high95Very high6 Ų647.1 Ų47.13%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-71.3133.8164.6-75.6-82.9000110F53 L55 M76 V81 G85 I87 I109F53-F72 HydrophobicContact CB-CD1 4Å; F53-F72 HydrophobicContact CB-CE1 3.72Å; F53-F72 HydrophobicContact CG-CE1 4.46Å; L55-F72 HydrophobicContact CD1-CD1 4.15Å; L55-F72 HydrophobicContact CD1-CE1 3.88Å; L55-F72 HydrophobicContact CD2-CD1 3.84Å; L55-F72 HydrophobicContact CD2-CD2 4.34Å; L55-F72 HydrophobicContact CD2-CE1 3.62Å; L55-F72 HydrophobicContact CD2-CE2 4.15Å; L55-F72 HydrophobicContact CD2-CG 4.2Å; L55-F72 HydrophobicContact CD2-CZ 3.79Å; L55-F72 HydrophobicContact CG-CD1 3.59Å; L55-F72 HydrophobicContact CG-CE1 3.68Å; L55-F72 HydrophobicContact CG-CG 4.21Å; L55-F72 HydrophobicContact CG-CZ 4.37Å; F72-M76 HydrophobicContact CB-CG 3.6Å; F72-M76 HydrophobicContact CD1-CE 4.34Å; F72-M76 HydrophobicContact CD1-CG 3.66Å; F72-M76 HydrophobicContact CD1-SD 3.88Å; F72-M76 HydrophobicContact CD2-CG 3.77Å; F72-M76 HydrophobicContact CE1-CE 3.97Å; F72-M76 HydrophobicContact CE1-CG 4.24Å; F72-M76 HydrophobicContact CE1-SD 4.07Å; F72-M76 HydrophobicContact CE2-CE 4.39Å; F72-M76 HydrophobicContact CE2-CG 4.33Å; F72-M76 HydrophobicContact CG-CG 3.4Å; F72-M76 HydrophobicContact CG-SD 4.25Å; F72-M76 HydrophobicContact CZ-CE 4Å; F72-V81 HydrophobicContact CD2-CG1 3.88Å; F72-V81 HydrophobicContact CD2-CG2 3.99Å; F72-V81 HydrophobicContact CE2-CG1 4.49Å; F72-V81 HydrophobicContact CE2-CG2 3.75Å; F72-G85 PolarHBondContact N-O 3.02Å; F72-I87 HydrophobicContact CD2-CD1 3.72Å; F72-I87 HydrophobicContact CD2-CG1 3.75Å; F72-I87 HydrophobicContact CE2-CD1 3.43Å; F72-I87 VanDerWaalsContact CE2-CD1 3.43Å; F72-I87 HydrophobicContact CE2-CG1 3.76Å; F72-I87 HydrophobicContact CZ-CD1 4.27Å; F72-I109 HydrophobicContact CE2-CG2 4.17Å; F72-I109 HydrophobicContact CZ-CG2 3.76Å
73V95.2Very high94.7Very high85 Ų8547.9 Ų47.952%0.51525%0.254SS..SBendtrans-87.8-41.9168.1179.40000109.2K54 T56K54-V73 HydrophobicContact CB-CB 4.17Å; K54-V73 PolarHBondContact O-N 3.25Å; T56-V73 WeakPolarHBondContact OG1-CG2 3.48Å
74S93.3Very high94.5Very high6 Ų652.6 Ų52.64%0.04228%0.279CS..SBendtrans-62145.2170.6-61.20000110K54 M76K54-S74 PolarHBondContact N-OG 3.45Å; K54-S74 PolarHBondContact O-N 3.44Å; S74-M76 PolarHBondContact O-N 3.23Å
75K93.1Very high94.4Very high138 Ų13851.8 Ų51.860%0.628%0.276SS*.  trans-61.2137171.5-170.7175.5-178.21780108.9I144K75-I144 HydrophobicContact CD-CD1 4.02Å; K75-I144 HydrophobicContact CG-CD1 4.03Å; K75-I144 WeakPolarHBondContact O-CG2 3.29Å
76M94.4Very high94.4Very high23 Ų2347.5 Ų47.511%0.11326%0.255CS..  trans-127.1148.7-179-69.4-56.6-73.400112.1F48 F53 F72 S74 V81 L113F48-M76 HydrophobicContact CD1-CE 4.34Å; F48-M76 HydrophobicContact CE1-CE 3.95Å; F53-M76 HydrophobicContact CB-SD 4.26Å; F53-M76 HydrophobicContact CD1-CE 4.07Å; F53-M76 HydrophobicContact CD1-SD 3.32Å; F53-M76 WeakPolarHBondContact CD1-SD 3.43Å; F53-M76 HydrophobicContact CD2-CE 4.48Å; F53-M76 HydrophobicContact CE1-CE 4.3Å; F53-M76 HydrophobicContact CE1-SD 3.8Å; F53-M76 HydrophobicContact CG-CE 4.17Å; F53-M76 HydrophobicContact CG-SD 3.82Å; F72-M76 HydrophobicContact CB-CG 3.6Å; F72-M76 HydrophobicContact CD1-CE 4.34Å; F72-M76 HydrophobicContact CD1-CG 3.66Å; F72-M76 HydrophobicContact CD1-SD 3.88Å; F72-M76 HydrophobicContact CD2-CG 3.77Å; F72-M76 HydrophobicContact CE1-CE 3.97Å; F72-M76 HydrophobicContact CE1-CG 4.24Å; F72-M76 HydrophobicContact CE1-SD 4.07Å; F72-M76 HydrophobicContact CE2-CE 4.39Å; F72-M76 HydrophobicContact CE2-CG 4.33Å; F72-M76 HydrophobicContact CG-CG 3.4Å; F72-M76 HydrophobicContact CG-SD 4.25Å; F72-M76 HydrophobicContact CZ-CE 4Å; S74-M76 PolarHBondContact O-N 3.23Å; M76-V81 HydrophobicContact CB-CB 4.32Å; M76-V81 HydrophobicContact CB-CG1 3.77Å; M76-V81 HydrophobicContact CG-CG1 4.31Å; M76-L113 HydrophobicContact CE-CD2 3.77Å
77F94.8Very high94.3Very high20 Ų2043.5 Ų43.59%0.08824%0.238CC..  trans-129.686.7169.6-169.1-103.2000109.7Q125 A126 L129 Y137 R140 V141 I144F77-Q125 HydrophobicContact CZ-CG 4.48Å; F77-A126 HydrophobicContact CD1-CB 4.26Å; F77-A126 HydrophobicContact CD2-CB 4.43Å; F77-A126 HydrophobicContact CE1-CB 3.84Å; F77-A126 HydrophobicContact CE2-CB 4.02Å; F77-A126 HydrophobicContact CZ-CB 3.69Å; F77-L129 HydrophobicContact CE1-CD1 4.22Å; F77-L129 HydrophobicContact CZ-CD1 3.91Å; F77-Y137 HydrophobicContact CD1-CD2 4.17Å; F77-Y137 HydrophobicContact CD1-CE2 4.07Å; F77-Y137 AromaticContact CE1-CD2 3.76Å; F77-Y137 HydrophobicContact CE1-CD2 3.76Å; F77-Y137 HydrophobicContact CE1-CE2 4.04Å; F77-R140 HydrophobicContact CD1-CB 3.8Å; F77-R140 HydrophobicContact CE1-CB 3.93Å; F77-R140 HydrophobicContact CG-CB 4.38Å; F77-V141 HydrophobicContact CD1-CG2 4.25Å; F77-I144 HydrophobicContact CB-CG1 3.83Å
78H94.5Very high94Very high0 Ų042.7 Ų42.70%023%0.233CC..  trans-142.1141.6-174.8-175-92.8000110.8F48 N80 V81 L112 N123F48-H78 AromaticContact CE2-CD2 3.86Å; F48-H78 HydrophobicContact CZ-CB 4.23Å; F48-H78 AromaticContact CZ-CD2 3.73Å; H78-N80 PolarHBondContact CE1-OD1 2.95Å; H78-N80 PolarHBondContact ND1-N 2.89Å; H78-N80 PolarHBondContact O-N 3.25Å; H78-N80 VanDerWaalsContact O-N 3.14Å; H78-V81 HydrophobicContact CB-CB 4.04Å; H78-V81 HydrophobicContact CB-CG2 3.78Å; H78-V81 PolarHBondContact O-N 3.16Å; H78-V81 VanDerWaalsContact O-N 3.11Å; H78-L112 PolarHBondContact CE1-O 3.48Å; H78-L112 VanDerWaalsContact CE1-O 3.29Å; H78-L112 PolarHBondContact NE2-O 3.01Å; H78-N123 WeakPolarHBondContact O-CB 3.3Å
79P94.1Very high93.6Very high4 Ų443.2 Ų43.23%0.02624%0.236CC..THydrogen-bonded Turntrans-53.2-34.1-179.4-30.237.6000114.7P116 P121 A122 N123 A126 A127P79-P116 HydrophobicContact CB-CB 4.15Å; P79-P116 HydrophobicContact CG-CB 3.87Å; P79-P116 HydrophobicContact CG-CG 4.35Å; P79-P121 CarbonylContact O-C 3.57Å; P79-P121 WeakPolarHBondContact O-CA 3.28Å; P79-A122 PolarHBondContact O-N 3.31Å; P79-N123 PolarHBondContact O-N 3.15Å; P79-A126 HydrophobicContact CG-CB 4.26Å; P79-A127 HydrophobicContact CB-CB 4.12Å
80N94.1Very high93.3Very high1 Ų141.1 Ų41.11%0.00522%0.221CC..THydrogen-bonded Turntrans-102.413.4-178.2-52.2105.6000114.6H78 C88 L112 P116 N117 S120H78-N80 PolarHBondContact CE1-OD1 2.95Å; H78-N80 PolarHBondContact ND1-N 2.89Å; H78-N80 PolarHBondContact O-N 3.25Å; H78-N80 VanDerWaalsContact O-N 3.14Å; N80-C88 PolarHBondContact O-N 3.29Å; N80-L112 HydrophobicContact CB-CD1 4.15Å; N80-L112 HydrophobicContact CB-CD2 4Å; N80-L112 HydrophobicContact CB-CG 4.36Å; N80-P116 WeakPolarHBondContact OD1-CA 3.45Å; N80-N117 PolarHBondContact ND2-O 2.88Å; N80-N117 PolarHBondContact OD1-N 2.84Å; N80-S120 PolarHBondContact ND2-O 3.01Å
81V94.8Very high93Very high4 Ų441.5 Ų41.52%0.02422%0.223CC..BIsolated β-bridgetrans-116.5127.2176-177.80000109.7F72 M76 H78 N123F72-V81 HydrophobicContact CD2-CG1 3.88Å; F72-V81 HydrophobicContact CD2-CG2 3.99Å; F72-V81 HydrophobicContact CE2-CG1 4.49Å; F72-V81 HydrophobicContact CE2-CG2 3.75Å; M76-V81 HydrophobicContact CB-CB 4.32Å; M76-V81 HydrophobicContact CB-CG1 3.77Å; M76-V81 HydrophobicContact CG-CG1 4.31Å; H78-V81 HydrophobicContact CB-CB 4.04Å; H78-V81 HydrophobicContact CB-CG2 3.78Å; H78-V81 PolarHBondContact O-N 3.16Å; H78-V81 VanDerWaalsContact O-N 3.11Å; V81-N123 WeakPolarHBondContact O-CB 3.17Å
82Y93.4Very high92.7Very high104 Ų10437.2 Ų37.241%0.40821%0.209SC..  trans-74.1163.6176.8-70.1-80.1000111.5D84 G85 S86 C88 A122Y82-D84 WeakPolarHBondContact CB-OD1 3.25Å; Y82-D84 PolarHBondContact O-N 2.92Å; Y82-G85 PolarHBondContact O-N 3.28Å; Y82-S86 WeakPolarHBondContact CD2-O 3.4Å; Y82-S86 PolarHBondContact N-O 3.39Å; Y82-C88 HydrophobicContact CE2-CB 3.94Å; Y82-A122 HydrophobicContact CD1-CB 3.77Å; Y82-A122 HydrophobicContact CD2-CB 3.73Å; Y82-A122 HydrophobicContact CE1-CB 3.67Å; Y82-A122 HydrophobicContact CE2-CB 3.63Å; Y82-A122 HydrophobicContact CG-CB 3.79Å
83A89.9Confident92.3Very high112 Ų11242 Ų4293%0.92623%0.231SC*.THydrogen-bonded Turntrans-64.6-22.9-179.200000113.9G85A83-G85 VanDerWaalsContact C-N 3.28Å
84D91.3Very high92Very high103 Ų10344.2 Ų44.255%0.55124%0.24SC*.THydrogen-bonded Turntrans-84-1.2174.669.4-21.8000113.2Y82 S86Y82-D84 WeakPolarHBondContact CB-OD1 3.25Å; Y82-D84 PolarHBondContact O-N 2.92Å; D84-S86 VanDerWaalsContact CG-OG 3.28Å; D84-S86 VanDerWaalsContact OD1-CB 3.26Å; D84-S86 WeakPolarHBondContact OD1-CB 3.45Å; D84-S86 PolarHBondContact OD1-N 3.04Å; D84-S86 PolarHBondContact OD1-OG 3.48Å; D84-S86 PolarHBondContact OD2-OG 3Å
85G92.8Very high91.9Very high7 Ų751.7 Ų51.77%0.07227%0.267CS..SBendtrans89.1-4.8-177.600000114.3R71 F72 Y82 A83R71-G85 CarbonylContact C-O 3.43Å; R71-G85 VanDerWaalsContact CA-O 3.3Å; R71-G85 WeakPolarHBondContact CA-O 3.43Å; F72-G85 PolarHBondContact N-O 3.02Å; Y82-G85 PolarHBondContact O-N 3.28Å; A83-G85 VanDerWaalsContact C-N 3.28Å
86S93.9Very high92Very high36 Ų3646.8 Ų46.825%0.25225%0.245SC..BIsolated β-bridgetrans-62.3143.3176.6-64.40000111Y82 D84Y82-S86 WeakPolarHBondContact CD2-O 3.4Å; Y82-S86 PolarHBondContact N-O 3.39Å; D84-S86 VanDerWaalsContact CG-OG 3.28Å; D84-S86 VanDerWaalsContact OD1-CB 3.26Å; D84-S86 WeakPolarHBondContact OD1-CB 3.45Å; D84-S86 PolarHBondContact OD1-N 3.04Å; D84-S86 PolarHBondContact OD1-OG 3.48Å; D84-S86 PolarHBondContact OD2-OG 3Å
87I93.1Very high92Very high14 Ų1447.4 Ų47.47%0.07225%0.252CS..BIsolated β-bridgetrans-106.9128.5-175.2-52.2175.1000110.1L55 V70 F72 L89 I109 L112L55-I87 HydrophobicContact CD2-CD1 3.98Å; V70-I87 HydrophobicContact CB-CD1 4.3Å; V70-I87 HydrophobicContact CG1-CD1 3.86Å; F72-I87 HydrophobicContact CD2-CD1 3.72Å; F72-I87 HydrophobicContact CD2-CG1 3.75Å; F72-I87 HydrophobicContact CE2-CD1 3.43Å; F72-I87 VanDerWaalsContact CE2-CD1 3.43Å; F72-I87 HydrophobicContact CE2-CG1 3.76Å; F72-I87 HydrophobicContact CZ-CD1 4.27Å; I87-L89 HydrophobicContact CG2-CB 4.07Å; I87-L89 PolarHBondContact O-N 2.78Å; I87-I109 HydrophobicContact CD1-CD1 3.85Å; I87-I109 HydrophobicContact CD1-CG1 4.13Å; I87-I109 HydrophobicContact CD1-CG2 3.95Å; I87-L112 HydrophobicContact CG2-CD2 3.77Å
88C89.8Confident91.9Very high22 Ų2249.1 Ų49.115%0.14926%0.264CS..  trans-90.389.8170.5-167.50000109.8N80 Y82 A122N80-C88 PolarHBondContact O-N 3.29Å; Y82-C88 HydrophobicContact CE2-CB 3.94Å; C88-A122 HydrophobicContact CB-CB 4.06Å
89L89.2Confident91.9Very high16 Ų1654.2 Ų54.28%0.08430%0.296CS..  trans-127.5130.3177.4-174.365.5000109.9I87 I91 L92 I109 L112I87-L89 HydrophobicContact CG2-CB 4.07Å; I87-L89 PolarHBondContact O-N 2.78Å; L89-I91 VanDerWaalsContact C-N 3.34Å; L89-I91 HydrophobicContact CD2-CD1 3.84Å; L89-I91 HydrophobicContact CD2-CG1 3.64Å; L89-I91 HydrophobicContact CG-CG1 3.89Å; L89-I91 PolarHBondContact O-N 2.88Å; L89-L92 HydrophobicContact CB-CD1 4.25Å; L89-L92 HydrophobicContact CB-CG 4.37Å; L89-L92 HydrophobicContact CD2-CD1 4.37Å; L89-L92 HydrophobicContact CD2-CG 4.34Å; L89-L92 PolarHBondContact O-N 2.88Å; L89-I109 HydrophobicContact CD2-CG1 4.11Å; L89-L112 HydrophobicContact CD1-CD1 4.35Å; L89-L112 HydrophobicContact CD1-CD2 4.26Å
90D88.1Confident91.9Very high45 Ų4557.3 Ų57.324%0.24131%0.308CS..G310 helixtrans-62.7-37-173.162.8-18.7000113L92 Q93 N94 R95D90-L92 PolarHBondContact O-N 2.88Å; D90-Q93 CarbonylContact O-C 3.48Å; D90-Q93 PolarHBondContact O-N 2.89Å; D90-N94 PolarHBondContact O-N 3.32Å; D90-R95 HydrophobicContact CB-CB 4.5Å; D90-R95 HydrophobicContact CB-CG 4.3Å; D90-R95 PolarHBondContact O-N 3.07Å; D90-R95 VanDerWaalsContact OD2-CD 3.28Å; D90-R95 WeakPolarHBondContact OD2-CD 3.33Å; D90-R95 IonicContact OD2-CZ 3.57Å; D90-R95 IonicContact OD2-NE 3.22Å; D90-R95 IonicContact OD2-NH1 3.36Å; D90-R95 PolarHBondContact OD2-NH1 3.14Å
91I90.5Very high91.9Very high15 Ų1557.5 Ų57.58%0.07731%0.308CS..G310 helixtrans-65-24.5176.177.9177.9000112.1L89 Q93 W96 Y100 S108L89-I91 VanDerWaalsContact C-N 3.34Å; L89-I91 HydrophobicContact CD2-CD1 3.84Å; L89-I91 HydrophobicContact CD2-CG1 3.64Å; L89-I91 HydrophobicContact CG-CG1 3.89Å; L89-I91 PolarHBondContact O-N 2.88Å; I91-Q93 VanDerWaalsContact C-N 3.27Å; I91-W96 WeakPolarHBondContact O-CA 3.3Å; I91-W96 VanDerWaalsContact O-CB 3.24Å; I91-W96 WeakPolarHBondContact O-CB 3.3Å; I91-W96 VanDerWaalsContact O-CE3 3.29Å; I91-W96 PolarHBondContact O-N 3.19Å; I91-Y100 HydrophobicContact CB-CE2 4.13Å; I91-Y100 HydrophobicContact CG2-CE2 4.4Å; I91-S108 VanDerWaalsContact CD1-CB 3.49Å; I91-S108 WeakPolarHBondContact CD1-OG 3.41Å
92L90.2Very high91.9Very high21 Ų2157.3 Ų57.311%0.1131%0.307CS..G310 helixtrans-86.80.9175.2-63.3177.5000112.6P67 V70 L89 D90 I105P67-L92 WeakPolarHBondContact CG-O 3.33Å; V70-L92 HydrophobicContact CB-CD1 4.06Å; V70-L92 HydrophobicContact CG2-CD1 3.83Å; V70-L92 HydrophobicContact CG2-CD2 4.24Å; L89-L92 HydrophobicContact CB-CD1 4.25Å; L89-L92 HydrophobicContact CB-CG 4.37Å; L89-L92 HydrophobicContact CD2-CD1 4.37Å; L89-L92 HydrophobicContact CD2-CG 4.34Å; L89-L92 PolarHBondContact O-N 2.88Å; D90-L92 PolarHBondContact O-N 2.88Å; L92-I105 HydrophobicContact CD2-CG1 4.44Å; L92-I105 HydrophobicContact CD2-CG2 4.19Å
93Q88.4Confident91.9Very high107 Ų10753 Ų5350%0.529%0.292SS..THydrogen-bonded Turntrans-125.4-111.4-177.2-61.417923.100110.2D90 I91D90-Q93 CarbonylContact O-C 3.48Å; D90-Q93 PolarHBondContact O-N 2.89Å; I91-Q93 VanDerWaalsContact C-N 3.27Å
94N87.6Confident92.1Very high131 Ų13149.6 Ų49.670%0.70126%0.262SS*.THydrogen-bonded Turntrans-78.4-16.8-172.860.2-45.1000114D90D90-N94 PolarHBondContact O-N 3.32Å
95R91.6Very high92.3Very high163 Ų16344.7 Ų44.762%0.61524%0.236SC*.THydrogen-bonded Turntrans-102.113.7176.5-61.9-161.9-178.4164.7-12.5113.6D90 S97D90-R95 HydrophobicContact CB-CB 4.5Å; D90-R95 HydrophobicContact CB-CG 4.3Å; D90-R95 PolarHBondContact O-N 3.07Å; D90-R95 VanDerWaalsContact OD2-CD 3.28Å; D90-R95 WeakPolarHBondContact OD2-CD 3.33Å; D90-R95 IonicContact OD2-CZ 3.57Å; D90-R95 IonicContact OD2-NE 3.22Å; D90-R95 IonicContact OD2-NH1 3.36Å; D90-R95 PolarHBondContact OD2-NH1 3.14Å; R95-S97 PolarHBondContact O-N 3.41Å
96W94.6Very high92.4Very high35 Ų3544.4 Ų44.413%0.13323%0.232CC..  trans-60.4135.8175.8177.4-105.4000111.5Y63 P64 N65 P67 I91 Y100 I105Y63-W96 HydrophobicContact CD2-CZ2 4.27Å; Y63-W96 AromaticContact CE2-CH2 3.81Å; Y63-W96 HydrophobicContact CE2-CH2 3.81Å; Y63-W96 AromaticContact CE2-CZ2 3.75Å; Y63-W96 HydrophobicContact CE2-CZ2 3.75Å; P64-W96 WeakPolarHBondContact O-CZ2 3.5Å; P64-W96 PolarHBondContact O-NE1 3.36Å; N65-W96 PolarHBondContact O-NE1 3.35Å; P67-W96 HydrophobicContact CB-CB 4.17Å; P67-W96 HydrophobicContact CB-CD2 3.49Å; P67-W96 VanDerWaalsContact CB-CD2 3.49Å; P67-W96 HydrophobicContact CB-CE3 3.64Å; P67-W96 HydrophobicContact CB-CG 3.72Å; P67-W96 HydrophobicContact CB-CZ3 4.27Å; P67-W96 HydrophobicContact CG-CB 4.17Å; P67-W96 HydrophobicContact CG-CD2 4.31Å; P67-W96 HydrophobicContact CG-CG 4Å; I91-W96 WeakPolarHBondContact O-CA 3.3Å; I91-W96 VanDerWaalsContact O-CB 3.24Å; I91-W96 WeakPolarHBondContact O-CB 3.3Å; I91-W96 VanDerWaalsContact O-CE3 3.29Å; I91-W96 PolarHBondContact O-N 3.19Å; W96-Y100 HydrophobicContact CE3-CD2 4Å; W96-Y100 HydrophobicContact CZ3-CD2 4.2Å; W96-Y100 HydrophobicContact CZ3-CG 4.41Å; W96-I105 HydrophobicContact CH2-CD1 3.98Å; W96-I105 HydrophobicContact CZ3-CD1 3.85Å; W96-I105 HydrophobicContact CZ3-CG1 4.11Å
97S94.9Very high92.4Very high36 Ų3645 Ų4525%0.25224%0.235SC..  trans-131.4137172.2175.50000109.4R95 T99 Y100R95-S97 PolarHBondContact O-N 3.41Å; S97-T99 WeakPolarHBondContact CB-OG1 3.29Å; S97-T99 PolarHBondContact O-N 2.92Å; S97-T99 PolarHBondContact OG-N 2.83Å; S97-T99 PolarHBondContact OG-OG1 3.03Å; S97-Y100 VanDerWaalsContact O-CD2 3.24Å; S97-Y100 WeakPolarHBondContact O-CD2 3.41Å; S97-Y100 PolarHBondContact O-N 3.09Å
98P93.8Very high92.5Very high55 Ų5546.2 Ų46.236%0.35724%0.244SC..THydrogen-bonded Turntrans-60.5-9.1175.3-2333.7000115R8 P64 Y100R8-P98 PolarHBondContact NH1-O 3.4Å; R8-P98 PolarHBondContact NH2-O 3.03Å; P64-P98 HydrophobicContact CB-CB 4.15Å; P64-P98 HydrophobicContact CG-CB 4.08Å; P64-P98 WeakPolarHBondContact O-CA 3.37Å; P64-P98 WeakPolarHBondContact O-CB 3.33Å; P98-Y100 VanDerWaalsContact C-N 3.33Å
99T94.1Very high92.7Very high108 Ų10845.2 Ų45.266%0.66324%0.237SC*.THydrogen-bonded Turntrans-72.3-25.117357.30000112.8S97S97-T99 WeakPolarHBondContact CB-OG1 3.29Å; S97-T99 PolarHBondContact O-N 2.92Å; S97-T99 PolarHBondContact OG-N 2.83Å; S97-T99 PolarHBondContact OG-OG1 3.03Å
100Y94.3Very high93Very high69 Ų6945.9 Ų45.927%0.27124%0.24SC..  trans-69.7139.1175.9-62.2-58.1000110.7R8 Y63 I91 W96 S97 P98R8-Y100 PolarHBondContact NH2-O 2.7Å; Y63-Y100 PolarHBondContact OH-O 3.23Å; I91-Y100 HydrophobicContact CB-CE2 4.13Å; I91-Y100 HydrophobicContact CG2-CE2 4.4Å; W96-Y100 HydrophobicContact CE3-CD2 4Å; W96-Y100 HydrophobicContact CZ3-CD2 4.2Å; W96-Y100 HydrophobicContact CZ3-CG 4.41Å; S97-Y100 VanDerWaalsContact O-CD2 3.24Å; S97-Y100 WeakPolarHBondContact O-CD2 3.41Å; S97-Y100 PolarHBondContact O-N 3.09Å; P98-Y100 VanDerWaalsContact C-N 3.33Å
101D93.3Very high93.2Very high4 Ų447 Ų472%0.02125%0.251CS..  trans-116.9177.2173.659.711.8000110.7D12 R15 S103 S104 I105D12-D101 HydrophobicContact CB-CB 4.45Å; D12-D101 WeakPolarHBondContact OD2-CA 3.32Å; D12-D101 WeakPolarHBondContact OD2-CB 3.45Å; R15-D101 VanDerWaalsContact CD-OD2 3.3Å; R15-D101 WeakPolarHBondContact CD-OD2 3.31Å; R15-D101 IonicContact CZ-OD2 3.63Å; R15-D101 VanDerWaalsContact CZ-OD2 3.3Å; R15-D101 IonicContact NE-OD2 3.85Å; R15-D101 IonicContact NH1-OD2 3.25Å; R15-D101 PolarHBondContact NH1-OD2 2.87Å; D101-S103 VanDerWaalsContact C-N 3.28Å; D101-S103 PolarHBondContact O-N 2.83Å; D101-S104 PolarHBondContact O-N 2.97Å; D101-S104 VanDerWaalsContact OD1-CB 3.29Å; D101-S104 WeakPolarHBondContact OD1-CB 3.35Å; D101-S104 PolarHBondContact OD1-N 3.21Å; D101-S104 PolarHBondContact OD1-OG 3.02Å; D101-I105 WeakPolarHBondContact O-CG1 3.4Å; D101-I105 PolarHBondContact O-N 3.49Å
102V95.1Very high93.3Very high0 Ų046.8 Ų46.80%025%0.251CS..Hα-helixtrans-57.8-41.3-178.9-177.90000111.8D12 L16 W36 I57 F59 S104 I105 L106D12-V102 HydrophobicContact CB-CB 4.49Å; D12-V102 HydrophobicContact CB-CG2 3.97Å; L16-V102 HydrophobicContact CD2-CG1 4.17Å; W36-V102 HydrophobicContact CE3-CG1 4Å; W36-V102 HydrophobicContact CE3-CG2 4.47Å; W36-V102 HydrophobicContact CH2-CG2 3.99Å; W36-V102 HydrophobicContact CZ3-CB 4.18Å; W36-V102 HydrophobicContact CZ3-CG1 3.79Å; W36-V102 HydrophobicContact CZ3-CG2 4.01Å; I57-V102 HydrophobicContact CD1-CG1 4.09Å; F59-V102 HydrophobicContact CE1-CG2 4.32Å; F59-V102 HydrophobicContact CZ-CG2 3.8Å; V102-S104 PolarHBondContact O-N 3.15Å; V102-I105 PolarHBondContact O-N 2.9Å; V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 HydrophobicContact CG1-CG 4.38Å; V102-L106 WeakPolarHBondContact O-CG 3.37Å; V102-L106 PolarHBondContact O-N 2.8Å
103S93.9Very high93.4Very high13 Ų1346.1 Ų46.19%0.09125%0.247CC..Hα-helixtrans-58.7-49.4176.7-56.20000111.5L16 D101 I105 L106 T107L16-S103 WeakPolarHBondContact CD1-OG 3.41Å; D101-S103 VanDerWaalsContact C-N 3.28Å; D101-S103 PolarHBondContact O-N 2.83Å; S103-I105 VanDerWaalsContact C-N 3.3Å; S103-I105 PolarHBondContact O-N 3.11Å; S103-L106 PolarHBondContact O-N 3Å; S103-T107 PolarHBondContact O-N 3.48Å; S103-T107 PolarHBondContact O-OG1 3.49Å; S103-T107 VanDerWaalsContact O-OG1 3.07Å
104S93.8Very high93.4Very high42 Ų4245.1 Ų45.129%0.29425%0.245SC..Hα-helixtrans-61.6-38.4179.8-540000112.4D101 V102 S108D101-S104 PolarHBondContact O-N 2.97Å; D101-S104 VanDerWaalsContact OD1-CB 3.29Å; D101-S104 WeakPolarHBondContact OD1-CB 3.35Å; D101-S104 PolarHBondContact OD1-N 3.21Å; D101-S104 PolarHBondContact OD1-OG 3.02Å; V102-S104 PolarHBondContact O-N 3.15Å; S104-S108 VanDerWaalsContact O-CB 3.31Å; S104-S108 WeakPolarHBondContact O-CB 3.29Å; S104-S108 PolarHBondContact O-N 2.95Å; S104-S108 PolarHBondContact O-OG 3.37Å
105I95.1Very high93.4Very high0 Ų046.1 Ų46.10%025%0.246CC..Hα-helixtrans-63.3-51176.3-67164.4000110.3P68 V70 L92 W96 D101 V102 S103 S108 I109P68-I105 HydrophobicContact CG-CD1 3.72Å; V70-I105 HydrophobicContact CG2-CG2 4.1Å; L92-I105 HydrophobicContact CD2-CG1 4.44Å; L92-I105 HydrophobicContact CD2-CG2 4.19Å; W96-I105 HydrophobicContact CH2-CD1 3.98Å; W96-I105 HydrophobicContact CZ3-CD1 3.85Å; W96-I105 HydrophobicContact CZ3-CG1 4.11Å; D101-I105 WeakPolarHBondContact O-CG1 3.4Å; D101-I105 PolarHBondContact O-N 3.49Å; V102-I105 PolarHBondContact O-N 2.9Å; S103-I105 VanDerWaalsContact C-N 3.3Å; S103-I105 PolarHBondContact O-N 3.11Å; I105-S108 PolarHBondContact O-N 3.27Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 WeakPolarHBondContact O-CG1 3.46Å; I105-I109 PolarHBondContact O-N 3.24Å
106L95.6Very high93Very high0 Ų039.3 Ų39.30%022%0.222CC..Hα-helixtrans-63.7-43.7-178-70176.9000112L16 V24 A38 I40 I57 V102 S103 S108 I109 Q110L16-L106 HydrophobicContact CD2-CD1 4.4Å; V24-L106 HydrophobicContact CB-CB 3.95Å; V24-L106 HydrophobicContact CB-CD1 4.4Å; V24-L106 HydrophobicContact CG1-CB 4.18Å; V24-L106 HydrophobicContact CG2-CB 3.97Å; V24-L106 HydrophobicContact CG2-CD1 4.43Å; A38-L106 HydrophobicContact CB-CD1 4.11Å; A38-L106 HydrophobicContact CB-CD2 3.62Å; I40-L106 HydrophobicContact CD1-CD2 4.1Å; I40-L106 HydrophobicContact CG1-CD2 4.26Å; I57-L106 HydrophobicContact CD1-CD2 4.11Å; V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 HydrophobicContact CG1-CG 4.38Å; V102-L106 WeakPolarHBondContact O-CG 3.37Å; V102-L106 PolarHBondContact O-N 2.8Å; S103-L106 PolarHBondContact O-N 3Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.07Å; L106-I109 PolarHBondContact O-N 3.32Å; L106-Q110 PolarHBondContact O-N 2.83Å
107T94.1Very high92.4Very high49 Ų4940.3 Ų40.330%0.30123%0.23SC..Hα-helixtrans-62.8-39.3175.9-56.40000111.4S103 I109 Q110 S111S103-T107 PolarHBondContact O-N 3.48Å; S103-T107 PolarHBondContact O-OG1 3.49Å; S103-T107 VanDerWaalsContact O-OG1 3.07Å; T107-I109 VanDerWaalsContact C-N 3.34Å; T107-I109 PolarHBondContact O-N 2.66Å; T107-Q110 WeakPolarHBondContact O-CB 3.26Å; T107-Q110 PolarHBondContact O-N 2.63Å; T107-S111 PolarHBondContact O-N 3.45Å; T107-S111 PolarHBondContact O-OG 2.86Å
108S94.4Very high91.2Very high39 Ų3942.8 Ų42.827%0.27325%0.246SC..Hα-helixtrans-66.4-35.7177.3-60.60000112.4I91 S104 I105 L106 L112I91-S108 VanDerWaalsContact CD1-CB 3.49Å; I91-S108 WeakPolarHBondContact CD1-OG 3.41Å; S104-S108 VanDerWaalsContact O-CB 3.31Å; S104-S108 WeakPolarHBondContact O-CB 3.29Å; S104-S108 PolarHBondContact O-N 2.95Å; S104-S108 PolarHBondContact O-OG 3.37Å; I105-S108 PolarHBondContact O-N 3.27Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.07Å; S108-L112 WeakPolarHBondContact O-CB 3.34Å; S108-L112 PolarHBondContact O-N 2.8Å
109I94.8Very high90.2Very high1 Ų146.6 Ų46.61%0.00526%0.263CS..Hα-helixtrans-69.4-38.3173.6-64.2163.7000110.8I40 L55 V70 F72 I87 L89 I105 L106 T107 L112 L113I40-I109 HydrophobicContact CD1-CB 3.69Å; I40-I109 HydrophobicContact CD1-CG2 3.45Å; I40-I109 VanDerWaalsContact CD1-CG2 3.45Å; L55-I109 HydrophobicContact CD2-CD1 4.21Å; L55-I109 HydrophobicContact CD2-CG2 4.14Å; V70-I109 HydrophobicContact CB-CD1 4.36Å; V70-I109 HydrophobicContact CG1-CD1 3.72Å; V70-I109 HydrophobicContact CG2-CD1 4.47Å; F72-I109 HydrophobicContact CE2-CG2 4.17Å; F72-I109 HydrophobicContact CZ-CG2 3.76Å; I87-I109 HydrophobicContact CD1-CD1 3.85Å; I87-I109 HydrophobicContact CD1-CG1 4.13Å; I87-I109 HydrophobicContact CD1-CG2 3.95Å; L89-I109 HydrophobicContact CD2-CG1 4.11Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 WeakPolarHBondContact O-CG1 3.46Å; I105-I109 PolarHBondContact O-N 3.24Å; L106-I109 PolarHBondContact O-N 3.32Å; T107-I109 VanDerWaalsContact C-N 3.34Å; T107-I109 PolarHBondContact O-N 2.66Å; I109-L112 WeakPolarHBondContact O-CB 3.3Å; I109-L112 PolarHBondContact O-N 2.8Å; I109-L113 PolarHBondContact O-N 3.04Å
110Q94.6Very high89.2Confident30 Ų3044.9 Ų44.914%0.1426%0.255CS..Hα-helixtrans-62.3-46.5174.4-177.5-175.650.400111.3A22 G23 V24 I40 F41 P43 L106 T107 L112 L113A22-Q110 PolarHBondContact O-NE2 3.21Å; A22-Q110 PolarHBondContact O-OE1 2.72Å; G23-Q110 PolarHBondContact O-NE2 3.35Å; V24-Q110 HydrophobicContact CG1-CB 4.08Å; V24-Q110 HydrophobicContact CG1-CG 4.47Å; I40-Q110 HydrophobicContact CG2-CB 3.87Å; I40-Q110 HydrophobicContact CG2-CG 4.05Å; F41-Q110 PolarHBondContact O-NE2 3.01Å; P43-Q110 HydrophobicContact CG-CG 3.89Å; L106-Q110 PolarHBondContact O-N 2.83Å; T107-Q110 WeakPolarHBondContact O-CB 3.26Å; T107-Q110 PolarHBondContact O-N 2.63Å; Q110-L112 PolarHBondContact O-N 3.5Å; Q110-L113 WeakPolarHBondContact O-CB 3.38Å; Q110-L113 PolarHBondContact O-N 2.87Å; Q110-L113 VanDerWaalsContact O-N 3.1Å
111S92.8Very high88.6Confident68 Ų6844.2 Ų44.248%0.47626%0.26SS..Hα-helixtrans-61.7-32.9174.9-59.70000112.7T107 L113 D114 E115T107-S111 PolarHBondContact O-N 3.45Å; T107-S111 PolarHBondContact O-OG 2.86Å; S111-L113 PolarHBondContact O-N 3.01Å; S111-D114 PolarHBondContact O-N 3.43Å; S111-D114 VanDerWaalsContact O-N 3.15Å; S111-E115 PolarHBondContact O-N 2.86Å
112L92.1Very high88.4Confident12 Ų1245 Ų456%0.06327%0.266CS..Hα-helixtrans-62.6-29.1175.7-176.267.6000112.7H78 N80 I87 L89 S108 I109 Q110 D114 E115H78-L112 PolarHBondContact CE1-O 3.48Å; H78-L112 VanDerWaalsContact CE1-O 3.29Å; H78-L112 PolarHBondContact NE2-O 3.01Å; N80-L112 HydrophobicContact CB-CD1 4.15Å; N80-L112 HydrophobicContact CB-CD2 4Å; N80-L112 HydrophobicContact CB-CG 4.36Å; I87-L112 HydrophobicContact CG2-CD2 3.77Å; L89-L112 HydrophobicContact CD1-CD1 4.35Å; L89-L112 HydrophobicContact CD1-CD2 4.26Å; S108-L112 WeakPolarHBondContact O-CB 3.34Å; S108-L112 PolarHBondContact O-N 2.8Å; I109-L112 WeakPolarHBondContact O-CB 3.3Å; I109-L112 PolarHBondContact O-N 2.8Å; Q110-L112 PolarHBondContact O-N 3.5Å; L112-D114 VanDerWaalsContact C-N 3.31Å; L112-E115 CarbonylContact O-C 3.58Å
113L91.4Very high88.2Confident6 Ų646.4 Ų46.43%0.03127%0.274CS..Hα-helixtrans-70-29.7176.5-62.9177.4000112.5I40 P43 F48 F53 M76 I109 Q110 S111I40-L113 HydrophobicContact CG2-CD1 4.1Å; P43-L113 HydrophobicContact CG-CB 4.4Å; F48-L113 HydrophobicContact CD1-CD2 4.37Å; F48-L113 HydrophobicContact CD2-CB 4.07Å; F48-L113 WeakPolarHBondContact CD2-O 3.03Å; F48-L113 HydrophobicContact CE1-CD2 4.28Å; F48-L113 HydrophobicContact CE2-CB 4.49Å; F48-L113 HydrophobicContact CE2-CD2 4.45Å; F48-L113 HydrophobicContact CG-CB 4.38Å; F48-L113 HydrophobicContact CZ-CD2 4.34Å; F53-L113 HydrophobicContact CD2-CD1 4.19Å; F53-L113 HydrophobicContact CE2-CD1 4.39Å; M76-L113 HydrophobicContact CE-CD2 3.77Å; I109-L113 PolarHBondContact O-N 3.04Å; Q110-L113 WeakPolarHBondContact O-CB 3.38Å; Q110-L113 PolarHBondContact O-N 2.87Å; Q110-L113 VanDerWaalsContact O-N 3.1Å; S111-L113 PolarHBondContact O-N 3.01Å
114D89.2Confident88Confident86 Ų8650 Ų5046%0.4630%0.299SS..Hα-helixtrans-82.4-44.8176.9-172.924.9000111.3P43 T46 S111 L112 P116P43-D114 HydrophobicContact CG-CB 4.36Å; T46-D114 HydrophobicContact CG2-CB 3.87Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.41Å; S111-D114 PolarHBondContact O-N 3.43Å; S111-D114 VanDerWaalsContact O-N 3.15Å; L112-D114 VanDerWaalsContact C-N 3.31Å; D114-P116 VanDerWaalsContact O-CD 3.29Å; D114-P116 WeakPolarHBondContact O-CD 3.47Å
115E87.3Confident87.9Confident153 Ų15352.7 Ų52.772%0.71531%0.307SS*.SBendtrans-11887.1-179.4-64.2-17217200111.9S111 L112 N117S111-E115 PolarHBondContact O-N 2.86Å; L112-E115 CarbonylContact O-C 3.58Å; E115-N117 PolarHBondContact O-N 2.84Å
116P84.4Confident87.7Confident19 Ų1952.7 Ų52.712%0.12331%0.307CS..  trans-62.1137.3175.5-18.628.2000111.4P79 N80 D114 P118 Y130P79-P116 HydrophobicContact CB-CB 4.15Å; P79-P116 HydrophobicContact CG-CB 3.87Å; P79-P116 HydrophobicContact CG-CG 4.35Å; N80-P116 WeakPolarHBondContact OD1-CA 3.45Å; D114-P116 VanDerWaalsContact O-CD 3.29Å; D114-P116 WeakPolarHBondContact O-CD 3.47Å; P116-P118 VanDerWaalsContact O-CD 3.26Å; P116-P118 WeakPolarHBondContact O-CD 3.39Å; P116-Y130 HydrophobicContact CG-CE1 4.48Å; P116-Y130 HydrophobicContact CG-CE2 4.25Å
117N80.3Confident87.5Confident57 Ų5753.2 Ų53.231%0.30531%0.311SS..  trans-81.3113.2176.2-177.5-8.9000110.8N80 E115 N119N80-N117 PolarHBondContact ND2-O 2.88Å; N80-N117 PolarHBondContact OD1-N 2.84Å; E115-N117 PolarHBondContact O-N 2.84Å; N117-N119 VanDerWaalsContact C-N 3.32Å; N117-N119 PolarHBondContact O-N 3.42Å; N117-N119 WeakPolarHBondContact OD1-CB 3.24Å; N117-N119 PolarHBondContact OD1-N 3.14Å; N117-N119 PolarHBondContact OD1-ND2 2.92Å
118P71.6Confident87.4Confident88 Ų8855.7 Ų55.757%0.57132%0.319SS*.THydrogen-bonded Turntrans-78.3-14.3-175.532.8-36.1000113.6P116 S120P116-P118 VanDerWaalsContact O-CD 3.26Å; P116-P118 WeakPolarHBondContact O-CD 3.39Å; P118-S120 VanDerWaalsContact C-N 3.3Å; P118-S120 PolarHBondContact O-N 2.76Å
119N72.1Confident87.4Confident135 Ų13555.1 Ų55.172%0.72231%0.313SS*.THydrogen-bonded Turntrans-73.9-19.7-170.4-65-48000113.6N117N117-N119 VanDerWaalsContact C-N 3.32Å; N117-N119 PolarHBondContact O-N 3.42Å; N117-N119 WeakPolarHBondContact OD1-CB 3.24Å; N117-N119 PolarHBondContact OD1-N 3.14Å; N117-N119 PolarHBondContact OD1-ND2 2.92Å
120S72.1Confident87.1Confident72 Ų7259.3 Ų59.350%0.50333%0.329SS..SBendtrans-15682.3-180-69.20000110.5N80 P118 A122N80-S120 PolarHBondContact ND2-O 3.01Å; P118-S120 VanDerWaalsContact C-N 3.3Å; P118-S120 PolarHBondContact O-N 2.76Å; S120-A122 PolarHBondContact O-N 3.03Å
121P81.9Confident86.9Confident55 Ų5564.5 Ų64.536%0.35735%0.353SS..  trans-71121.317929.4-33.5000110.2P79 N123 A127P79-P121 CarbonylContact O-C 3.57Å; P79-P121 WeakPolarHBondContact O-CA 3.28Å; P121-N123 VanDerWaalsContact C-N 3.26Å; P121-A127 HydrophobicContact CB-CB 3.48Å; P121-A127 VanDerWaalsContact CB-CB 3.48Å; P121-A127 HydrophobicContact CG-CB 4.12Å
122A89Confident86.8Confident19 Ų1968 Ų6816%0.15736%0.362CS..SBendtrans-68.6-29.9167.700000111.5P79 Y82 C88 S120P79-A122 PolarHBondContact O-N 3.31Å; Y82-A122 HydrophobicContact CD1-CB 3.77Å; Y82-A122 HydrophobicContact CD2-CB 3.73Å; Y82-A122 HydrophobicContact CE1-CB 3.67Å; Y82-A122 HydrophobicContact CE2-CB 3.63Å; Y82-A122 HydrophobicContact CG-CB 3.79Å; C88-A122 HydrophobicContact CB-CB 4.06Å; S120-A122 PolarHBondContact O-N 3.03Å
123N91.1Very high86.9Confident31 Ų3171 Ų7117%0.16638%0.379CS..  trans-122.895.7176.9-175.4-22.2000109.9H78 P79 V81 P121 Q125 A126 A127H78-N123 WeakPolarHBondContact O-CB 3.3Å; P79-N123 PolarHBondContact O-N 3.15Å; V81-N123 WeakPolarHBondContact O-CB 3.17Å; P121-N123 VanDerWaalsContact C-N 3.26Å; N123-Q125 PolarHBondContact O-N 3Å; N123-Q125 WeakPolarHBondContact OD1-CB 3.41Å; N123-Q125 PolarHBondContact OD1-N 2.87Å; N123-Q125 VanDerWaalsContact OD1-N 3.15Å; N123-A126 HydrophobicContact CB-CB 3.97Å; N123-A126 PolarHBondContact O-N 3.27Å; N123-A126 PolarHBondContact OD1-N 2.99Å; N123-A127 PolarHBondContact O-N 3.41Å
124S90.4Very high86.8Confident87 Ų8776.3 Ų76.361%0.60840%0.401SS*.Hα-helixtrans-59.7-33.1-179.5-48.40000112.8A127 Q128S124-A127 PolarHBondContact O-N 2.96Å; S124-Q128 WeakPolarHBondContact O-CB 3.39Å; S124-Q128 PolarHBondContact O-N 3.14Å
125Q91.3Very high87.1Confident100 Ų10082.1 Ų82.147%0.46742%0.417SS..Hα-helixtrans-68.7-44.4178.3-174-178.536.500111.4F77 N123 A127 Q128 L129F77-Q125 HydrophobicContact CZ-CG 4.48Å; N123-Q125 PolarHBondContact O-N 3Å; N123-Q125 WeakPolarHBondContact OD1-CB 3.41Å; N123-Q125 PolarHBondContact OD1-N 2.87Å; N123-Q125 VanDerWaalsContact OD1-N 3.15Å; Q125-A127 VanDerWaalsContact C-N 3.34Å; Q125-Q128 PolarHBondContact O-N 2.83Å; Q125-L129 HydrophobicContact CG-CD1 4.45Å; Q125-L129 WeakPolarHBondContact O-CG 3.33Å; Q125-L129 PolarHBondContact O-N 3.49Å
126A91.8Very high87.4Confident0 Ų077.6 Ų77.60%040%0.396CS..Hα-helixtrans-63.7-41.7175.900000111.1F77 P79 N123 L129 Y130 Y137F77-A126 HydrophobicContact CD1-CB 4.26Å; F77-A126 HydrophobicContact CD2-CB 4.43Å; F77-A126 HydrophobicContact CE1-CB 3.84Å; F77-A126 HydrophobicContact CE2-CB 4.02Å; F77-A126 HydrophobicContact CZ-CB 3.69Å; P79-A126 HydrophobicContact CG-CB 4.26Å; N123-A126 HydrophobicContact CB-CB 3.97Å; N123-A126 PolarHBondContact O-N 3.27Å; N123-A126 PolarHBondContact OD1-N 2.99Å; A126-L129 PolarHBondContact O-N 3.23Å; A126-Y130 VanDerWaalsContact O-CB 3.3Å; A126-Y130 WeakPolarHBondContact O-CB 3.44Å; A126-Y130 PolarHBondContact O-N 3.27Å; A126-Y137 HydrophobicContact CB-CE2 4.39Å
127A91.4Very high87.9Confident11 Ų1176.8 Ų76.89%0.09139%0.39CS..Hα-helixtrans-63.9-44.1177.100000112.9P79 P121 N123 S124 Q125 Y130 Q131P79-A127 HydrophobicContact CB-CB 4.12Å; P121-A127 HydrophobicContact CB-CB 3.48Å; P121-A127 VanDerWaalsContact CB-CB 3.48Å; P121-A127 HydrophobicContact CG-CB 4.12Å; N123-A127 PolarHBondContact O-N 3.41Å; S124-A127 PolarHBondContact O-N 2.96Å; Q125-A127 VanDerWaalsContact C-N 3.34Å; A127-Y130 PolarHBondContact O-N 2.89Å; A127-Q131 WeakPolarHBondContact O-CG 3.29Å; A127-Q131 PolarHBondContact O-N 2.98Å; A127-Q131 VanDerWaalsContact O-N 3.14Å
128Q91.8Very high88.5Confident100 Ų10077.5 Ų77.547%0.46739%0.392SS..Hα-helixtrans-62.8-48177-174.7-178.15.200111.1S124 Q125 Y130 Q131 E132S124-Q128 WeakPolarHBondContact O-CB 3.39Å; S124-Q128 PolarHBondContact O-N 3.14Å; Q125-Q128 PolarHBondContact O-N 2.83Å; Q128-Y130 VanDerWaalsContact C-N 3.3Å; Q128-Y130 PolarHBondContact O-N 2.87Å; Q128-Q131 PolarHBondContact O-N 2.84Å; Q128-E132 HydrophobicContact CG-CG 4.23Å; Q128-E132 VanDerWaalsContact CG-OE2 3.3Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.28Å; Q128-E132 PolarHBondContact NE2-OE2 3.41Å; Q128-E132 WeakPolarHBondContact O-CB 3.24Å; Q128-E132 PolarHBondContact O-N 3.04Å
129L92.9Very high89.7Confident27 Ų2780 Ų8014%0.14139%0.394CS..Hα-helixtrans-63.3-37.8177.7-70.1179.2000111.8F77 Q125 A126 Q131 N133 K134 E136 Y137F77-L129 HydrophobicContact CE1-CD1 4.22Å; F77-L129 HydrophobicContact CZ-CD1 3.91Å; Q125-L129 HydrophobicContact CG-CD1 4.45Å; Q125-L129 WeakPolarHBondContact O-CG 3.33Å; Q125-L129 PolarHBondContact O-N 3.49Å; A126-L129 PolarHBondContact O-N 3.23Å; L129-Q131 VanDerWaalsContact C-N 3.27Å; L129-Q131 PolarHBondContact O-N 3.25Å; L129-N133 HydrophobicContact CD2-CB 4.3Å; L129-N133 CarbonylContact O-C 3.56Å; L129-N133 WeakPolarHBondContact O-CA 3.37Å; L129-N133 PolarHBondContact O-N 2.87Å; L129-K134 PolarHBondContact O-N 3.35Å; L129-E136 HydrophobicContact CD1-CG 4.25Å; L129-E136 HydrophobicContact CD2-CB 4.36Å; L129-E136 HydrophobicContact CD2-CG 4.11Å; L129-Y137 HydrophobicContact CB-CD2 4.45Å
130Y90Very high90.7Very high90 Ų9077.5 Ų77.535%0.35337%0.374SS..Hα-helixtrans-59.7-38175.9-174.9-103.2000112.5P116 A126 A127 Q128 Y137P116-Y130 HydrophobicContact CG-CE1 4.48Å; P116-Y130 HydrophobicContact CG-CE2 4.25Å; A126-Y130 VanDerWaalsContact O-CB 3.3Å; A126-Y130 WeakPolarHBondContact O-CB 3.44Å; A126-Y130 PolarHBondContact O-N 3.27Å; A127-Y130 PolarHBondContact O-N 2.89Å; Q128-Y130 VanDerWaalsContact C-N 3.3Å; Q128-Y130 PolarHBondContact O-N 2.87Å; Y130-Y137 AromaticContact CD2-CD1 3.88Å; Y130-Y137 HydrophobicContact CD2-CD1 3.88Å; Y130-Y137 AromaticContact CD2-CE1 3.71Å; Y130-Y137 HydrophobicContact CD2-CE1 3.71Å; Y130-Y137 HydrophobicContact CD2-CE2 4.46Å; Y130-Y137 HydrophobicContact CD2-CG 4.31Å; Y130-Y137 HydrophobicContact CE2-CE1 4.29Å
131Q88.9Confident91.8Very high138 Ų13874 Ų7465%0.64535%0.35SS*.Hα-helixtrans-84.2-44.9-179.4-67.5176.210.600113.5A127 Q128 L129A127-Q131 WeakPolarHBondContact O-CG 3.29Å; A127-Q131 PolarHBondContact O-N 2.98Å; A127-Q131 VanDerWaalsContact O-N 3.14Å; Q128-Q131 PolarHBondContact O-N 2.84Å; L129-Q131 VanDerWaalsContact C-N 3.27Å; L129-Q131 PolarHBondContact O-N 3.25Å
132E92.5Very high92.4Very high141 Ų14174 Ų7466%0.65935%0.351SS*.Hα-helixtrans-95.9-28.4-169.9-63.6179.9176.600113.2Q128Q128-E132 HydrophobicContact CG-CG 4.23Å; Q128-E132 VanDerWaalsContact CG-OE2 3.3Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.28Å; Q128-E132 PolarHBondContact NE2-OE2 3.41Å; Q128-E132 WeakPolarHBondContact O-CB 3.24Å; Q128-E132 PolarHBondContact O-N 3.04Å
133N93Very high92.6Very high77 Ų7775 Ų7541%0.41236%0.359SS..  trans-150.671.9-174-168.6-12000112.4L129 R135 E136 Y137L129-N133 HydrophobicContact CD2-CB 4.3Å; L129-N133 CarbonylContact O-C 3.56Å; L129-N133 WeakPolarHBondContact O-CA 3.37Å; L129-N133 PolarHBondContact O-N 2.87Å; N133-R135 PolarHBondContact O-N 3.29Å; N133-R135 VanDerWaalsContact O-N 3.12Å; N133-E136 HydrophobicContact CB-CB 4.32Å; N133-E136 PolarHBondContact O-N 3.04Å; N133-E136 VanDerWaalsContact O-N 3.07Å; N133-E136 PolarHBondContact OD1-N 3.37Å; N133-E136 VanDerWaalsContact OD1-N 3.15Å; N133-Y137 PolarHBondContact O-N 3.03Å
134K90.4Very high92.8Very high116 Ų11674.1 Ų74.150%0.50436%0.355SS..Hα-helixtrans-53.7-34.8-179.1-165.7177.9-178.6-177.70112.9L129 Y137 E138L129-K134 PolarHBondContact O-N 3.35Å; K134-Y137 WeakPolarHBondContact O-CB 3.26Å; K134-Y137 PolarHBondContact O-N 2.88Å; K134-E138 WeakPolarHBondContact CE-OE1 3.39Å; K134-E138 HydrophobicContact CG-CG 4.41Å; K134-E138 WeakPolarHBondContact O-CB 3.37Å; K134-E138 VanDerWaalsContact O-CG 3.3Å; K134-E138 WeakPolarHBondContact O-CG 3.47Å; K134-E138 PolarHBondContact O-N 3.22Å
135R94.4Very high93Very high209 Ų20970.5 Ų70.579%0.78933%0.328SS*.Hα-helixtrans-63.9-44178.4-175.8178.3178.3171.51.2112.9N133 K139N133-R135 PolarHBondContact O-N 3.29Å; N133-R135 VanDerWaalsContact O-N 3.12Å; R135-K139 WeakPolarHBondContact O-CB 3.07Å; R135-K139 PolarHBondContact O-N 2.96Å; R135-K139 VanDerWaalsContact O-N 3.09Å
136E94.5Very high93.1Very high58 Ų5870.5 Ų70.527%0.27133%0.329SS..Hα-helixtrans-72.4-33.9176.5-17961.3-160.500111.2L129 N133 K139 R140L129-E136 HydrophobicContact CD1-CG 4.25Å; L129-E136 HydrophobicContact CD2-CB 4.36Å; L129-E136 HydrophobicContact CD2-CG 4.11Å; N133-E136 HydrophobicContact CB-CB 4.32Å; N133-E136 PolarHBondContact O-N 3.04Å; N133-E136 VanDerWaalsContact O-N 3.07Å; N133-E136 PolarHBondContact OD1-N 3.37Å; N133-E136 VanDerWaalsContact OD1-N 3.15Å; E136-K139 PolarHBondContact O-N 3.12Å; E136-R140 WeakPolarHBondContact O-CG 3.45Å; E136-R140 PolarHBondContact O-N 2.9Å; E136-R140 VanDerWaalsContact O-N 3.09Å; E136-R140 IonicContact OE1-NE 3.53Å; E136-R140 PolarHBondContact OE1-NE 3.26Å
137Y93.9Very high93.1Very high2 Ų273.9 Ų73.91%0.00834%0.344CS..Hα-helixtrans-58-54.7171175.2-97.7000111.2P47 F48 F77 A126 L129 Y130 N133 K134 K139 R140 V141P47-Y137 HydrophobicContact CG-CE1 4.38Å; F48-Y137 WeakPolarHBondContact CE2-OH 3.35Å; F77-Y137 HydrophobicContact CD1-CD2 4.17Å; F77-Y137 HydrophobicContact CD1-CE2 4.07Å; F77-Y137 AromaticContact CE1-CD2 3.76Å; F77-Y137 HydrophobicContact CE1-CD2 3.76Å; F77-Y137 HydrophobicContact CE1-CE2 4.04Å; A126-Y137 HydrophobicContact CB-CE2 4.39Å; L129-Y137 HydrophobicContact CB-CD2 4.45Å; Y130-Y137 AromaticContact CD2-CD1 3.88Å; Y130-Y137 HydrophobicContact CD2-CD1 3.88Å; Y130-Y137 AromaticContact CD2-CE1 3.71Å; Y130-Y137 HydrophobicContact CD2-CE1 3.71Å; Y130-Y137 HydrophobicContact CD2-CE2 4.46Å; Y130-Y137 HydrophobicContact CD2-CG 4.31Å; Y130-Y137 HydrophobicContact CE2-CE1 4.29Å; N133-Y137 PolarHBondContact O-N 3.03Å; K134-Y137 WeakPolarHBondContact O-CB 3.26Å; K134-Y137 PolarHBondContact O-N 2.88Å; Y137-K139 VanDerWaalsContact C-N 3.33Å; Y137-K139 PolarHBondContact O-N 2.8Å; Y137-R140 WeakPolarHBondContact O-CB 3.49Å; Y137-R140 PolarHBondContact O-N 3.37Å; Y137-R140 VanDerWaalsContact O-N 3.07Å; Y137-V141 HydrophobicContact CD1-CG2 4.17Å; Y137-V141 HydrophobicContact CD2-CG2 4.42Å; Y137-V141 HydrophobicContact CE1-CG2 3.71Å; Y137-V141 HydrophobicContact CE2-CG2 3.95Å; Y137-V141 WeakPolarHBondContact O-CG2 3.29Å; Y137-V141 PolarHBondContact O-N 3.35Å
138E93.8Very high93.2Very high72 Ų7273.4 Ų73.434%0.33634%0.341SS..Hα-helixtrans-55.5-46.9178.2-75.3168.6-175.500111.3P47 K134 R140 V141 S142P47-E138 HydrophobicContact CB-CG 4.16Å; P47-E138 HydrophobicContact CG-CG 3.85Å; K134-E138 WeakPolarHBondContact CE-OE1 3.39Å; K134-E138 HydrophobicContact CG-CG 4.41Å; K134-E138 WeakPolarHBondContact O-CB 3.37Å; K134-E138 VanDerWaalsContact O-CG 3.3Å; K134-E138 WeakPolarHBondContact O-CG 3.47Å; K134-E138 PolarHBondContact O-N 3.22Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 3.31Å; E138-V141 PolarHBondContact O-N 2.78Å; E138-V141 VanDerWaalsContact O-N 3.11Å; E138-S142 PolarHBondContact O-N 3.25Å; E138-S142 PolarHBondContact O-OG 3.38Å
139K95.3Very high93Very high141 Ų14174.9 Ų74.961%0.61334%0.342SS*.Hα-helixtrans-57-40.4177.2-175.1-176.8176.5-170.60112.8R135 E136 Y137 A143R135-K139 WeakPolarHBondContact O-CB 3.07Å; R135-K139 PolarHBondContact O-N 2.96Å; R135-K139 VanDerWaalsContact O-N 3.09Å; E136-K139 PolarHBondContact O-N 3.12Å; Y137-K139 VanDerWaalsContact C-N 3.33Å; Y137-K139 PolarHBondContact O-N 2.8Å; K139-A143 PolarHBondContact O-N 3.36Å
140R94.8Very high92.5Very high81 Ų8183.2 Ų83.231%0.30637%0.372SS..Hα-helixtrans-69.6-42.2176.7-72.6-177.6-178.9-151.53.1111.5F77 E136 Y137 E138 A143 I144F77-R140 HydrophobicContact CD1-CB 3.8Å; F77-R140 HydrophobicContact CE1-CB 3.93Å; F77-R140 HydrophobicContact CG-CB 4.38Å; E136-R140 WeakPolarHBondContact O-CG 3.45Å; E136-R140 PolarHBondContact O-N 2.9Å; E136-R140 VanDerWaalsContact O-N 3.09Å; E136-R140 IonicContact OE1-NE 3.53Å; E136-R140 PolarHBondContact OE1-NE 3.26Å; Y137-R140 WeakPolarHBondContact O-CB 3.49Å; Y137-R140 PolarHBondContact O-N 3.37Å; Y137-R140 VanDerWaalsContact O-N 3.07Å; E138-R140 VanDerWaalsContact C-N 3.28Å; E138-R140 PolarHBondContact O-N 3.31Å; R140-A143 PolarHBondContact O-N 2.82Å; R140-I144 WeakPolarHBondContact O-CG1 3.25Å; R140-I144 PolarHBondContact O-N 3.45Å
141V94.8Very high91.4Very high0 Ų083.1 Ų83.10%038%0.377CS..Hα-helixtrans-63.1-43.9177.1179.50000110.9P47 F48 F77 Y137 E138 A143 I144 V145P47-V141 HydrophobicContact CB-CB 4.02Å; P47-V141 HydrophobicContact CB-CG1 3.87Å; P47-V141 VanDerWaalsContact O-CG1 3.28Å; P47-V141 WeakPolarHBondContact O-CG1 3.12Å; F48-V141 HydrophobicContact CD1-CG1 3.43Å; F48-V141 VanDerWaalsContact CD1-CG1 3.43Å; F48-V141 HydrophobicContact CD2-CG1 4.1Å; F48-V141 HydrophobicContact CE1-CB 4.48Å; F48-V141 HydrophobicContact CE1-CG1 3.41Å; F48-V141 VanDerWaalsContact CE1-CG1 3.41Å; F48-V141 HydrophobicContact CE1-CG2 4.25Å; F48-V141 HydrophobicContact CE2-CG1 4.07Å; F48-V141 HydrophobicContact CE2-CG2 4.41Å; F48-V141 HydrophobicContact CG-CG1 3.78Å; F48-V141 HydrophobicContact CZ-CG1 3.73Å; F48-V141 HydrophobicContact CZ-CG2 3.91Å; F77-V141 HydrophobicContact CD1-CG2 4.25Å; Y137-V141 HydrophobicContact CD1-CG2 4.17Å; Y137-V141 HydrophobicContact CD2-CG2 4.42Å; Y137-V141 HydrophobicContact CE1-CG2 3.71Å; Y137-V141 HydrophobicContact CE2-CG2 3.95Å; Y137-V141 WeakPolarHBondContact O-CG2 3.29Å; Y137-V141 PolarHBondContact O-N 3.35Å; E138-V141 PolarHBondContact O-N 2.78Å; E138-V141 VanDerWaalsContact O-N 3.11Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.49Å; V141-I144 CarbonylContact O-C 3.59Å; V141-I144 WeakPolarHBondContact O-CA 3.32Å; V141-I144 WeakPolarHBondContact O-CB 3.33Å; V141-I144 PolarHBondContact O-N 3.3Å; V141-V145 HydrophobicContact CG1-CG2 4.37Å; V141-V145 PolarHBondContact O-N 2.57Å
142S93.7Very high89.4Confident54 Ų5482.9 Ų82.938%0.37839%0.389SS..Hα-helixtrans-57.2-40.4175.9-55.50000112.2E138 I144 V145 E146E138-S142 PolarHBondContact O-N 3.25Å; E138-S142 PolarHBondContact O-OG 3.38Å; S142-I144 PolarHBondContact O-N 2.74Å; S142-V145 WeakPolarHBondContact O-CB 3.35Å; S142-V145 PolarHBondContact O-N 2.94Å; S142-E146 WeakPolarHBondContact O-CG 3.08Å; S142-E146 PolarHBondContact O-N 3.27Å
143A94.7Very high89.2Confident40 Ų4080 Ų8033%0.33138%0.376SS..Hα-helixtrans-64.5-29.3175.400000113K139 R140 V141 Q147K139-A143 PolarHBondContact O-N 3.36Å; R140-A143 PolarHBondContact O-N 2.82Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.49Å; A143-Q147 VanDerWaalsContact O-CG 3.26Å; A143-Q147 WeakPolarHBondContact O-CG 3.32Å; A143-Q147 PolarHBondContact O-N 2.81Å; A143-Q147 PolarHBondContact O-NE2 3.04Å
144I94.4Very high89Confident13 Ų1380.2 Ų80.27%0.06737%0.374CS..Hα-helixtrans-76-41.1174-61.8-53.2000111.2F53 K75 F77 R140 V141 S142 E146 Q147 S148F53-I144 HydrophobicContact CE1-CG2 4.11Å; K75-I144 HydrophobicContact CD-CD1 4.02Å; K75-I144 HydrophobicContact CG-CD1 4.03Å; K75-I144 WeakPolarHBondContact O-CG2 3.29Å; F77-I144 HydrophobicContact CB-CG1 3.83Å; R140-I144 WeakPolarHBondContact O-CG1 3.25Å; R140-I144 PolarHBondContact O-N 3.45Å; V141-I144 CarbonylContact O-C 3.59Å; V141-I144 WeakPolarHBondContact O-CA 3.32Å; V141-I144 WeakPolarHBondContact O-CB 3.33Å; V141-I144 PolarHBondContact O-N 3.3Å; S142-I144 PolarHBondContact O-N 2.74Å; I144-E146 VanDerWaalsContact C-N 3.35Å; I144-E146 PolarHBondContact O-N 3.34Å; I144-Q147 WeakPolarHBondContact O-CB 3.3Å; I144-Q147 PolarHBondContact O-N 2.96Å; I144-Q147 VanDerWaalsContact O-N 3.17Å; I144-S148 PolarHBondContact O-N 3.5Å
145V94.8Very high89Confident10 Ų1078.2 Ų78.26%0.06137%0.367CS..Hα-helixtrans-55.3-50.81731660000110.2F53 V141 S142 Q147 S148 W149F53-V145 HydrophobicContact CZ-CG2 4.01Å; V141-V145 HydrophobicContact CG1-CG2 4.37Å; V141-V145 PolarHBondContact O-N 2.57Å; S142-V145 WeakPolarHBondContact O-CB 3.35Å; S142-V145 PolarHBondContact O-N 2.94Å; V145-Q147 VanDerWaalsContact C-N 3.29Å; V145-Q147 PolarHBondContact O-N 3.25Å; V145-S148 WeakPolarHBondContact O-CB 2.92Å; V145-S148 PolarHBondContact O-N 3.16Å; V145-S148 VanDerWaalsContact O-N 3.09Å; V145-S148 PolarHBondContact O-OG 3.37Å; V145-W149 HydrophobicContact CG1-CH2 4.49Å; V145-W149 HydrophobicContact CG1-CZ2 3.71Å
146E93.4Very high88.6Confident101 Ų10170.5 Ų70.547%0.47234%0.342SS..Hα-helixtrans-61.4-35.4177.3-71.6177.9-164.300113.2S142 I144 S148 W149S142-E146 WeakPolarHBondContact O-CG 3.08Å; S142-E146 PolarHBondContact O-N 3.27Å; I144-E146 VanDerWaalsContact C-N 3.35Å; I144-E146 PolarHBondContact O-N 3.34Å; E146-S148 VanDerWaalsContact C-N 3.34Å; E146-W149 HydrophobicContact CB-CE3 4.47Å; E146-W149 HydrophobicContact CB-CZ3 4.44Å; E146-W149 HydrophobicContact CG-CE3 4.5Å; E146-W149 HydrophobicContact CG-CH2 4.34Å; E146-W149 HydrophobicContact CG-CZ3 3.99Å
147Q92.6Very high88.3Confident70 Ų7071.3 Ų71.333%0.32735%0.346SS..Hα-helixtrans-67-37.9175.7-81.1164.354.300111.5A143 I144 V145 W149 R150 D151A143-Q147 VanDerWaalsContact O-CG 3.26Å; A143-Q147 WeakPolarHBondContact O-CG 3.32Å; A143-Q147 PolarHBondContact O-N 2.81Å; A143-Q147 PolarHBondContact O-NE2 3.04Å; I144-Q147 WeakPolarHBondContact O-CB 3.3Å; I144-Q147 PolarHBondContact O-N 2.96Å; I144-Q147 VanDerWaalsContact O-N 3.17Å; V145-Q147 VanDerWaalsContact C-N 3.29Å; V145-Q147 PolarHBondContact O-N 3.25Å; Q147-W149 PolarHBondContact O-N 3Å; Q147-W149 VanDerWaalsContact O-N 3.13Å; Q147-R150 WeakPolarHBondContact O-CB 3.34Å; Q147-R150 PolarHBondContact O-N 3.06Å; Q147-D151 PolarHBondContact O-N 2.75Å
148S91.9Very high87.9Confident2 Ų275.9 Ų75.91%0.01437%0.369CS..Hα-helixtrans-58.4-29-178.782.40000113.1T52 I144 V145 E146T52-S148 PolarHBondContact N-OG 2.89Å; T52-S148 WeakPolarHBondContact O-CB 3.41Å; I144-S148 PolarHBondContact O-N 3.5Å; V145-S148 WeakPolarHBondContact O-CB 2.92Å; V145-S148 PolarHBondContact O-N 3.16Å; V145-S148 VanDerWaalsContact O-N 3.09Å; V145-S148 PolarHBondContact O-OG 3.37Å; E146-S148 VanDerWaalsContact C-N 3.34Å
149W89Confident87.5Confident131 Ų13176.1 Ų76.150%0.49637%0.371SS..THydrogen-bonded Turntrans-73.6-25.8176.9-53.1-26000113.8D50 V145 E146 Q147D50-W149 HydrophobicContact CB-CZ2 4.09Å; D50-W149 PolarHBondContact O-NE1 3.37Å; V145-W149 HydrophobicContact CG1-CH2 4.49Å; V145-W149 HydrophobicContact CG1-CZ2 3.71Å; E146-W149 HydrophobicContact CB-CE3 4.47Å; E146-W149 HydrophobicContact CB-CZ3 4.44Å; E146-W149 HydrophobicContact CG-CE3 4.5Å; E146-W149 HydrophobicContact CG-CH2 4.34Å; E146-W149 HydrophobicContact CG-CZ3 3.99Å; Q147-W149 PolarHBondContact O-N 3Å; Q147-W149 VanDerWaalsContact O-N 3.13Å
150R82.2Confident86.9Confident202 Ų20271.2 Ų71.276%0.76235%0.353SS*.THydrogen-bonded Turntrans-82.6-20.4-177.9-60.1-175.6-175.7-172.71.8112.6Q147 C152Q147-R150 WeakPolarHBondContact O-CB 3.34Å; Q147-R150 PolarHBondContact O-N 3.06Å; R150-C152 PolarHBondContact O-N 2.81Å
151D66Low86.2Confident87 Ų8770.3 Ų70.347%0.46536%0.356SS..THydrogen-bonded Turntrans-83.32.5178.5-65.2-25.5000112.1K54 Q147K54-D151 PolarHBondContact NZ-O 2.9Å; Q147-D151 PolarHBondContact O-N 2.75Å
152C47Very low85.4Confident134 Ų13476.7 Ų76.791%0.90539%0.389SS*.  trans-73.90178.3-76.50000113.7R150R150-C152 PolarHBondContact O-N 2.81Å

Retrieved 152 of 152 residues in 186.6 ms (Link to these results)

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