G4LVM7_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession G4LVM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 454 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
1M46.6Very low82.4Confident239 Ų23980.8 Ų80.8100%1.17744%0.444SS*.  0126.50-65.9-170-155.700108.1S3M1-S3 PolarHBondContact O-N 2.98Å
2S49.6Very low83.5Confident110 Ų11076.8 Ų76.877%0.76943%0.425SS*.  trans-53.1123.8176.9177.30000110.2K4S2-K4 PolarHBondContact O-N 3.17Å
3S67.9Low84.3Confident62 Ų6277.7 Ų77.743%0.43443%0.429SS..  trans-77.992.4-175.866.90000110.2M1 K26M1-S3 PolarHBondContact O-N 2.98Å; S3-K26 WeakPolarHBondContact OG-CE 3.43Å; S3-K26 PolarHBondContact OG-NZ 3.39Å
4K84Confident85.1Confident111 Ų11179 Ų7948%0.48343%0.43SS..  trans-61.2136.8173-63.5-172.6177.8-172.70110.5S2 E8 L9 P27 L32S2-K4 PolarHBondContact O-N 3.17Å; K4-E8 VanDerWaalsContact CA-OE2 3.28Å; K4-E8 WeakPolarHBondContact CA-OE2 3.5Å; K4-E8 HydrophobicContact CB-CB 4.21Å; K4-L9 HydrophobicContact CB-CD2 4.18Å; K4-L9 HydrophobicContact CD-CD2 4.12Å; K4-P27 WeakPolarHBondContact O-CD 3.44Å; K4-P27 WeakPolarHBondContact O-CG 3.34Å; K4-L32 HydrophobicContact CB-CD2 3.92Å
5S91.8Very high85.8Confident43 Ų4373.7 Ų73.730%0.30140%0.402SS..  trans-74.9164.6168.163.50000111.5K7 E8 L9S5-K7 PolarHBondContact O-N 3.3Å; S5-E8 PolarHBondContact N-OE2 3.05Å; S5-E8 PolarHBondContact O-N 3.01Å; S5-E8 WeakPolarHBondContact OG-CG 3.44Å; S5-E8 PolarHBondContact OG-N 3.22Å; S5-E8 PolarHBondContact OG-OE2 3.28Å; S5-L9 WeakPolarHBondContact O-CG 3.34Å; S5-L9 PolarHBondContact O-N 3.29Å
6F93.5Very high86.4Confident9 Ų970.1 Ų70.14%0.03938%0.383CS..THydrogen-bonded Turntrans-58.4-37.6173.1-73.8-82.6000112.4E8 L9 V11 I19 W24 P27 I35 I60F6-E8 VanDerWaalsContact C-N 3.34Å; F6-E8 PolarHBondContact O-N 3.01Å; F6-L9 WeakPolarHBondContact O-CB 3.28Å; F6-L9 PolarHBondContact O-N 3.26Å; F6-V11 HydrophobicContact CB-CB 4.3Å; F6-V11 HydrophobicContact CB-CG2 4.22Å; F6-V11 HydrophobicContact CD1-CG2 4.43Å; F6-V11 VanDerWaalsContact O-CB 3.3Å; F6-V11 WeakPolarHBondContact O-CB 3.37Å; F6-V11 VanDerWaalsContact O-CG2 3.26Å; F6-V11 WeakPolarHBondContact O-CG2 3.47Å; F6-V11 PolarHBondContact O-N 2.71Å; F6-I19 HydrophobicContact CB-CD1 4.35Å; F6-I19 HydrophobicContact CD1-CD1 3.88Å; F6-I19 HydrophobicContact CD2-CD1 4.34Å; F6-I19 HydrophobicContact CD2-CG2 3.56Å; F6-I19 HydrophobicContact CE1-CD1 4.21Å; F6-I19 HydrophobicContact CE2-CG2 3.68Å; F6-I19 HydrophobicContact CG-CD1 3.94Å; F6-I19 HydrophobicContact CG-CG2 4.17Å; F6-I19 HydrophobicContact CZ-CG2 4.36Å; F6-W24 HydrophobicContact CE2-CB 4.09Å; F6-W24 HydrophobicContact CZ-CE3 4.18Å; F6-P27 HydrophobicContact CD1-CB 4.25Å; F6-P27 HydrophobicContact CE1-CB 3.82Å; F6-P27 HydrophobicContact CE2-CB 4.25Å; F6-P27 HydrophobicContact CZ-CB 3.82Å; F6-I35 HydrophobicContact CD1-CD1 4.18Å; F6-I35 HydrophobicContact CE1-CD1 4.09Å; F6-I60 HydrophobicContact CD1-CD1 4.01Å; F6-I60 HydrophobicContact CE1-CD1 3.7Å
7K93.8Very high86.9Confident134 Ų13471.4 Ų71.458%0.58339%0.39SS*.G310 helixtrans-60.7-42.2176.8-168.2173.7-175172.40111.9S5 L9 G10 N13S5-K7 PolarHBondContact O-N 3.3Å; K7-L9 PolarHBondContact O-N 3.47Å; K7-G10 PolarHBondContact O-N 2.9Å; K7-N13 WeakPolarHBondContact CE-OD1 3.36Å
8E93.9Very high87.3Confident121 Ų12168.2 Ų68.257%0.56537%0.372SS*.G310 helixtrans-69.3-15.6175.9-70.4167.4125.500113.7K4 S5 F6 G10K4-E8 VanDerWaalsContact CA-OE2 3.28Å; K4-E8 WeakPolarHBondContact CA-OE2 3.5Å; K4-E8 HydrophobicContact CB-CB 4.21Å; S5-E8 PolarHBondContact N-OE2 3.05Å; S5-E8 PolarHBondContact O-N 3.01Å; S5-E8 WeakPolarHBondContact OG-CG 3.44Å; S5-E8 PolarHBondContact OG-N 3.22Å; S5-E8 PolarHBondContact OG-OE2 3.28Å; F6-E8 VanDerWaalsContact C-N 3.34Å; F6-E8 PolarHBondContact O-N 3.01Å; E8-G10 VanDerWaalsContact C-N 3.25Å
9L94.6Very high87.6Confident13 Ų1364.7 Ų64.77%0.06835%0.353CS..G310 helixtrans-81-5.3170.2-58.2-176.9000113.1K4 S5 F6 K7 V11 P27 L32 I35 P36 L39K4-L9 HydrophobicContact CB-CD2 4.18Å; K4-L9 HydrophobicContact CD-CD2 4.12Å; S5-L9 WeakPolarHBondContact O-CG 3.34Å; S5-L9 PolarHBondContact O-N 3.29Å; F6-L9 WeakPolarHBondContact O-CB 3.28Å; F6-L9 PolarHBondContact O-N 3.26Å; K7-L9 PolarHBondContact O-N 3.47Å; L9-V11 HydrophobicContact CB-CG2 4.5Å; L9-P27 HydrophobicContact CD1-CB 3.92Å; L9-P27 HydrophobicContact CD1-CG 3.94Å; L9-L32 HydrophobicContact CD1-CD2 4.26Å; L9-L32 HydrophobicContact CD2-CD2 3.89Å; L9-I35 HydrophobicContact CB-CG2 4.23Å; L9-I35 HydrophobicContact CD1-CB 4.34Å; L9-I35 HydrophobicContact CD1-CD1 4.12Å; L9-P36 HydrophobicContact CB-CG 4.21Å; L9-P36 HydrophobicContact CD2-CG 3.88Å; L9-L39 WeakPolarHBondContact O-CD1 3.18Å
10G94.5Very high87.8Confident42 Ų4265.7 Ų65.743%0.43337%0.365SS..THydrogen-bonded Turntrans91.417.4-176.300000114K7 E8 L39 Q64K7-G10 PolarHBondContact O-N 2.9Å; E8-G10 VanDerWaalsContact C-N 3.25Å; G10-L39 WeakPolarHBondContact O-CD1 3.06Å; G10-Q64 PolarHBondContact O-NE2 3.27Å; G10-Q64 PolarHBondContact O-OE1 2.9Å
11V95.8Very high88Confident5 Ų568.5 Ų68.53%0.0338%0.384CS..  trans-73.9134.1175.5-175.80000110.1F6 L9 I15 I35 I60F6-V11 HydrophobicContact CB-CB 4.3Å; F6-V11 HydrophobicContact CB-CG2 4.22Å; F6-V11 HydrophobicContact CD1-CG2 4.43Å; F6-V11 VanDerWaalsContact O-CB 3.3Å; F6-V11 WeakPolarHBondContact O-CB 3.37Å; F6-V11 VanDerWaalsContact O-CG2 3.26Å; F6-V11 WeakPolarHBondContact O-CG2 3.47Å; F6-V11 PolarHBondContact O-N 2.71Å; L9-V11 HydrophobicContact CB-CG2 4.5Å; V11-I15 HydrophobicContact CG1-CB 3.81Å; V11-I15 HydrophobicContact CG1-CG2 3.69Å; V11-I35 HydrophobicContact CG2-CG2 3.92Å; V11-I60 HydrophobicContact CB-CG2 4.43Å; V11-I60 HydrophobicContact CG1-CG2 3.85Å; V11-I60 HydrophobicContact CG2-CG2 3.66Å
12C95.4Very high90Very high32 Ų3260 Ų6022%0.21634%0.343CS..  trans-66.9156.6-179.572.70000112.3E14 I15 C16 Q64C12-E14 VanDerWaalsContact C-N 3.28Å; C12-E14 VanDerWaalsContact CB-OE2 3.28Å; C12-E14 WeakPolarHBondContact CB-OE2 3.3Å; C12-E14 PolarHBondContact O-N 3.28Å; C12-E14 PolarHBondContact SG-OE2 3.2Å; C12-I15 PolarHBondContact O-N 2.84Å; C12-C16 PolarHBondContact O-N 2.83Å; C12-C16 PolarHBondContact O-SG 3.26Å; C12-Q64 HydrophobicContact CB-CG 4.37Å
13N95Very high91.8Very high89 Ų8957.2 Ų57.248%0.47633%0.332SS..Hα-helixtrans-61.6-38.4-173.5-69.2-32.9000111.5K7 I15 C16 D17K7-N13 WeakPolarHBondContact CE-OD1 3.36Å; N13-I15 VanDerWaalsContact C-N 3.33Å; N13-I15 PolarHBondContact O-N 3.25Å; N13-C16 WeakPolarHBondContact O-CB 3.49Å; N13-C16 PolarHBondContact O-N 2.81Å; N13-C16 VanDerWaalsContact O-N 3.08Å; N13-D17 VanDerWaalsContact O-CG 3.26Å; N13-D17 PolarHBondContact O-N 3.43Å
14E94.9Very high92.9Very high96 Ų9657.7 Ų57.745%0.44932%0.324SS..Hα-helixtrans-57.5-46.8-178.9-58.783174.600111.3C12 V18 L67 F99C12-E14 VanDerWaalsContact C-N 3.28Å; C12-E14 VanDerWaalsContact CB-OE2 3.28Å; C12-E14 WeakPolarHBondContact CB-OE2 3.3Å; C12-E14 PolarHBondContact O-N 3.28Å; C12-E14 PolarHBondContact SG-OE2 3.2Å; E14-V18 PolarHBondContact O-N 2.93Å; E14-L67 HydrophobicContact CB-CD1 4.33Å; E14-F99 HydrophobicContact CB-CE1 3.75Å; E14-F99 HydrophobicContact CB-CZ 3.67Å; E14-F99 HydrophobicContact CG-CE1 4.47Å; E14-F99 WeakPolarHBondContact O-CZ 3.34Å
15I95.4Very high92.9Very high0 Ų058.2 Ų58.20%034%0.336CS..Hα-helixtrans-72-37.5177.4-65.4174000110.5V11 C12 N13 D17 V18 I19 I60 L63 Q64 L67 F99V11-I15 HydrophobicContact CG1-CB 3.81Å; V11-I15 HydrophobicContact CG1-CG2 3.69Å; C12-I15 PolarHBondContact O-N 2.84Å; N13-I15 VanDerWaalsContact C-N 3.33Å; N13-I15 PolarHBondContact O-N 3.25Å; I15-D17 VanDerWaalsContact C-N 3.29Å; I15-D17 PolarHBondContact O-N 3.47Å; I15-V18 PolarHBondContact O-N 2.77Å; I15-I19 HydrophobicContact CG2-CD1 3.72Å; I15-I19 HydrophobicContact CG2-CG1 4.13Å; I15-I19 WeakPolarHBondContact O-CB 3.27Å; I15-I19 VanDerWaalsContact O-CG1 3.27Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 2.9Å; I15-I60 HydrophobicContact CG2-CG1 4.49Å; I15-I60 HydrophobicContact CG2-CG2 4.35Å; I15-L63 HydrophobicContact CD1-CB 3.96Å; I15-Q64 HydrophobicContact CD1-CB 3.81Å; I15-L67 HydrophobicContact CD1-CD1 3.97Å; I15-L67 HydrophobicContact CG1-CD1 3.84Å; I15-F99 HydrophobicContact CG1-CE2 4.34Å
16C95.7Very high92.7Very high15 Ų1562.3 Ų62.310%0.10135%0.349CS..Hα-helixtrans-60.2-37.1176.4-68.60000112.6C12 N13 I19 S20C12-C16 PolarHBondContact O-N 2.83Å; C12-C16 PolarHBondContact O-SG 3.26Å; N13-C16 WeakPolarHBondContact O-CB 3.49Å; N13-C16 PolarHBondContact O-N 2.81Å; N13-C16 VanDerWaalsContact O-N 3.08Å; C16-I19 PolarHBondContact O-N 2.76Å; C16-S20 WeakPolarHBondContact O-CB 3.31Å; C16-S20 PolarHBondContact O-N 3.3Å; C16-S20 PolarHBondContact O-OG 2.96Å
17D94.1Very high92.7Very high93 Ų9362.5 Ų62.550%0.49735%0.351SS..Hα-helixtrans-64.9-40.6177.1-67.1-16.8000111.6N13 I15 S20 T21N13-D17 VanDerWaalsContact O-CG 3.26Å; N13-D17 PolarHBondContact O-N 3.43Å; I15-D17 VanDerWaalsContact C-N 3.29Å; I15-D17 PolarHBondContact O-N 3.47Å; D17-S20 PolarHBondContact O-N 3.26Å; D17-T21 PolarHBondContact O-N 3.21Å; D17-T21 VanDerWaalsContact O-N 3.09Å; D17-T21 PolarHBondContact O-OG1 3.35Å
18V94.4Very high92.5Very high13 Ų1357.8 Ų57.88%0.07934%0.335CS..Hα-helixtrans-66.7-47.2175.3-179.70000110.6E14 I15 S20 T21 L22 E94 L95 K98 F99E14-V18 PolarHBondContact O-N 2.93Å; I15-V18 PolarHBondContact O-N 2.77Å; V18-S20 PolarHBondContact O-N 2.9Å; V18-T21 WeakPolarHBondContact O-CB 3.36Å; V18-T21 PolarHBondContact O-N 2.95Å; V18-L22 HydrophobicContact CG1-CD1 4.26Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 2.9Å; V18-E94 WeakPolarHBondContact CG1-O 3.33Å; V18-L95 HydrophobicContact CG1-CD2 4.44Å; V18-K98 HydrophobicContact CG2-CD 4.34Å; V18-F99 HydrophobicContact CG2-CE2 4.09Å; V18-F99 HydrophobicContact CG2-CZ 3.81Å
19I93.7Very high92.4Very high3 Ų356.7 Ų56.72%0.01533%0.33CS..Hα-helixtrans-55-41.1175.3-74.2176.9000111.4F6 I15 C16 L22 G23 W24 I60 L95F6-I19 HydrophobicContact CB-CD1 4.35Å; F6-I19 HydrophobicContact CD1-CD1 3.88Å; F6-I19 HydrophobicContact CD2-CD1 4.34Å; F6-I19 HydrophobicContact CD2-CG2 3.56Å; F6-I19 HydrophobicContact CE1-CD1 4.21Å; F6-I19 HydrophobicContact CE2-CG2 3.68Å; F6-I19 HydrophobicContact CG-CD1 3.94Å; F6-I19 HydrophobicContact CG-CG2 4.17Å; F6-I19 HydrophobicContact CZ-CG2 4.36Å; I15-I19 HydrophobicContact CG2-CD1 3.72Å; I15-I19 HydrophobicContact CG2-CG1 4.13Å; I15-I19 WeakPolarHBondContact O-CB 3.27Å; I15-I19 VanDerWaalsContact O-CG1 3.27Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 2.9Å; C16-I19 PolarHBondContact O-N 2.76Å; I19-L22 PolarHBondContact O-N 2.73Å; I19-G23 PolarHBondContact O-N 3.23Å; I19-W24 HydrophobicContact CB-CE3 4.37Å; I19-W24 HydrophobicContact CD1-CE3 4.4Å; I19-W24 HydrophobicContact CG1-CE3 3.89Å; I19-W24 HydrophobicContact CG1-CZ3 4.06Å; I19-W24 HydrophobicContact CG2-CB 3.71Å; I19-W24 HydrophobicContact CG2-CD2 4.48Å; I19-W24 HydrophobicContact CG2-CE3 4.01Å; I19-W24 HydrophobicContact CG2-CG 4.45Å; I19-W24 PolarHBondContact O-N 2.88Å; I19-W24 VanDerWaalsContact O-N 3.14Å; I19-I60 HydrophobicContact CD1-CD1 3.81Å; I19-I60 HydrophobicContact CD1-CG1 4.3Å; I19-L95 HydrophobicContact CG1-CD2 3.96Å
20S91.5Very high92.2Very high83 Ų8356.1 Ų56.158%0.5833%0.327SS*.Hα-helixtrans-66-39.5177.6-58.10000111.7C16 D17 V18 L22 G23C16-S20 WeakPolarHBondContact O-CB 3.31Å; C16-S20 PolarHBondContact O-N 3.3Å; C16-S20 PolarHBondContact O-OG 2.96Å; D17-S20 PolarHBondContact O-N 3.26Å; V18-S20 PolarHBondContact O-N 2.9Å; S20-L22 VanDerWaalsContact C-N 3.3Å; S20-L22 PolarHBondContact O-N 2.72Å; S20-G23 PolarHBondContact O-N 3.44Å
21T91.3Very high92.3Very high125 Ų12554.8 Ų54.877%0.76731%0.309SS*.Hα-helixtrans-66-33175.2-53.30000111.9D17 V18 G23D17-T21 PolarHBondContact O-N 3.21Å; D17-T21 VanDerWaalsContact O-N 3.09Å; D17-T21 PolarHBondContact O-OG1 3.35Å; V18-T21 WeakPolarHBondContact O-CB 3.36Å; V18-T21 PolarHBondContact O-N 2.95Å; T21-G23 PolarHBondContact O-N 2.84Å
22L88.9Confident92.2Very high60 Ų6057.4 Ų57.431%0.31432%0.323SS..THydrogen-bonded Turntrans-75.8-4.6172.9-63.1173.9000113.3V18 I19 S20 W24 E94 L95V18-L22 HydrophobicContact CG1-CD1 4.26Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 2.9Å; I19-L22 PolarHBondContact O-N 2.73Å; S20-L22 VanDerWaalsContact C-N 3.3Å; S20-L22 PolarHBondContact O-N 2.72Å; L22-W24 HydrophobicContact CB-CD2 4.44Å; L22-W24 HydrophobicContact CB-CG 4.42Å; L22-W24 HydrophobicContact CD1-CH2 4.08Å; L22-W24 HydrophobicContact CD1-CZ2 3.81Å; L22-E94 HydrophobicContact CD1-CB 4.32Å; L22-E94 HydrophobicContact CD2-CB 4.31Å; L22-L95 HydrophobicContact CD1-CD2 3.9Å
23G88.7Confident92.1Very high52 Ų5259.7 Ų59.754%0.53633%0.329SS..THydrogen-bonded Turntrans76.518.3177.200000114.8I19 S20 T21 V25I19-G23 PolarHBondContact O-N 3.23Å; S20-G23 PolarHBondContact O-N 3.44Å; T21-G23 PolarHBondContact O-N 2.84Å; G23-V25 PolarHBondContact O-N 3.31Å
24W89.8Confident92.2Very high72 Ų7255.5 Ų55.527%0.27331%0.306SS..  trans-81.798.1-179.5-61.7-1.6000110.8F6 I19 L22 A56 I60 L91 L95F6-W24 HydrophobicContact CE2-CB 4.09Å; F6-W24 HydrophobicContact CZ-CE3 4.18Å; I19-W24 HydrophobicContact CB-CE3 4.37Å; I19-W24 HydrophobicContact CD1-CE3 4.4Å; I19-W24 HydrophobicContact CG1-CE3 3.89Å; I19-W24 HydrophobicContact CG1-CZ3 4.06Å; I19-W24 HydrophobicContact CG2-CB 3.71Å; I19-W24 HydrophobicContact CG2-CD2 4.48Å; I19-W24 HydrophobicContact CG2-CE3 4.01Å; I19-W24 HydrophobicContact CG2-CG 4.45Å; I19-W24 PolarHBondContact O-N 2.88Å; I19-W24 VanDerWaalsContact O-N 3.14Å; L22-W24 HydrophobicContact CB-CD2 4.44Å; L22-W24 HydrophobicContact CB-CG 4.42Å; L22-W24 HydrophobicContact CD1-CH2 4.08Å; L22-W24 HydrophobicContact CD1-CZ2 3.81Å; W24-A56 HydrophobicContact CH2-CB 3.96Å; W24-A56 HydrophobicContact CZ3-CB 3.84Å; W24-I60 HydrophobicContact CZ3-CD1 4.44Å; W24-L91 HydrophobicContact CH2-CD1 3.74Å; W24-L91 HydrophobicContact CZ2-CD1 3.79Å; W24-L95 HydrophobicContact CH2-CD1 4.2Å; W24-L95 HydrophobicContact CH2-CD2 3.84Å; W24-L95 HydrophobicContact CH2-CG 4.22Å; W24-L95 HydrophobicContact CZ3-CD1 4.46Å; W24-L95 HydrophobicContact CZ3-CD2 3.84Å
25V83.8Confident92.2Very high122 Ų12250.9 Ų50.974%0.73929%0.285SS*.  trans-74.4-41.8-174.5-171.40000112.6G23G23-V25 PolarHBondContact O-N 3.31Å
26K88.8Confident92.3Very high130 Ų13052.1 Ų52.157%0.56529%0.293SS*.SBendtrans-137.9140.2-175.3-68.2178.1-179.3-167.50111.2S3S3-K26 WeakPolarHBondContact OG-CE 3.43Å; S3-K26 PolarHBondContact OG-NZ 3.39Å
27P92.3Very high92.3Very high12 Ų1251.5 Ų51.58%0.07829%0.289CS..  trans-66143.6172.928.4-35.1000111.3K4 F6 L9 Q31 L32K4-P27 WeakPolarHBondContact O-CD 3.44Å; K4-P27 WeakPolarHBondContact O-CG 3.34Å; F6-P27 HydrophobicContact CD1-CB 4.25Å; F6-P27 HydrophobicContact CE1-CB 3.82Å; F6-P27 HydrophobicContact CE2-CB 4.25Å; F6-P27 HydrophobicContact CZ-CB 3.82Å; L9-P27 HydrophobicContact CD1-CB 3.92Å; L9-P27 HydrophobicContact CD1-CG 3.94Å; P27-Q31 VanDerWaalsContact CA-OE1 3.24Å; P27-Q31 HydrophobicContact CB-CB 3.89Å; P27-L32 HydrophobicContact CB-CD2 4.2Å; P27-L32 HydrophobicContact CB-CG 4.13Å; P27-L32 HydrophobicContact CG-CD2 3.43Å; P27-L32 VanDerWaalsContact CG-CD2 3.43Å; P27-L32 HydrophobicContact CG-CG 3.81Å
28S90.3Very high92.4Very high36 Ų3647.1 Ų47.125%0.25227%0.265SS..  trans-69.9166.4172.172.50000111.8I30 Q31 L32 S52S28-I30 VanDerWaalsContact C-N 3.29Å; S28-I30 PolarHBondContact O-N 3.46Å; S28-I30 WeakPolarHBondContact OG-CG2 3.26Å; S28-Q31 WeakPolarHBondContact O-CB 3.45Å; S28-Q31 PolarHBondContact O-N 3.19Å; S28-Q31 VanDerWaalsContact OG-CD 3.23Å; S28-Q31 VanDerWaalsContact OG-CG 3.29Å; S28-Q31 WeakPolarHBondContact OG-CG 3.45Å; S28-Q31 PolarHBondContact OG-N 3.48Å; S28-L32 WeakPolarHBondContact O-CG 3.48Å; S28-L32 PolarHBondContact O-N 3.02Å; S28-S52 WeakPolarHBondContact CB-O 3.45Å; S28-S52 PolarHBondContact OG-O 3.38Å
29E91.1Very high92.5Very high98 Ų9848.4 Ų48.446%0.45827%0.272SS..Hα-helixtrans-58-39.9-178.6-169.7-173.8159.800112.8L32 K33 V209E29-L32 PolarHBondContact O-N 2.93Å; E29-K33 WeakPolarHBondContact O-CG 3.44Å; E29-K33 PolarHBondContact O-N 3.17Å; E29-K33 VanDerWaalsContact OE1-CE 3.31Å; E29-K33 WeakPolarHBondContact OE1-CE 3.12Å; E29-K33 IonicContact OE1-NZ 2.73Å; E29-K33 PolarHBondContact OE1-NZ 2.93Å; E29-V209 HydrophobicContact CB-CG1 3.81Å; E29-V209 HydrophobicContact CB-CG2 4.44Å; E29-V209 HydrophobicContact CG-CG1 3.96Å; E29-V209 HydrophobicContact CG-CG2 4.04Å
30I91.8Very high92.6Very high0 Ų056.4 Ų56.40%030%0.302CS..Hα-helixtrans-68-35.8175.9-169.961.9000111.8S28 K33 A34 A48 S52 K54 Y185 L207 V209S28-I30 VanDerWaalsContact C-N 3.29Å; S28-I30 PolarHBondContact O-N 3.46Å; S28-I30 WeakPolarHBondContact OG-CG2 3.26Å; I30-K33 PolarHBondContact O-N 3.35Å; I30-A34 WeakPolarHBondContact O-CB 3.49Å; I30-A34 PolarHBondContact O-N 2.77Å; I30-A48 HydrophobicContact CB-CB 4.28Å; I30-A48 HydrophobicContact CD1-CB 4.26Å; I30-A48 HydrophobicContact CG1-CB 4.16Å; I30-S52 WeakPolarHBondContact CG2-O 3.33Å; I30-K54 HydrophobicContact CG1-CG 4.25Å; I30-K54 HydrophobicContact CG2-CG 4.43Å; I30-Y185 HydrophobicContact CG1-CE1 4.32Å; I30-L207 HydrophobicContact CD1-CB 4.28Å; I30-V209 HydrophobicContact CB-CB 4.41Å; I30-V209 HydrophobicContact CB-CG2 3.98Å; I30-V209 HydrophobicContact CD1-CB 4.42Å; I30-V209 HydrophobicContact CD1-CG2 3.78Å; I30-V209 HydrophobicContact CG1-CG2 4.48Å
31Q95Very high92.7Very high15 Ų1557.1 Ų57.17%0.0730%0.295CS..Hα-helixtrans-68.3-43.4176.5-68.6164.74.300111.4P27 S28 K33 A34 I35 G53 A57P27-Q31 VanDerWaalsContact CA-OE1 3.24Å; P27-Q31 HydrophobicContact CB-CB 3.89Å; S28-Q31 WeakPolarHBondContact O-CB 3.45Å; S28-Q31 PolarHBondContact O-N 3.19Å; S28-Q31 VanDerWaalsContact OG-CD 3.23Å; S28-Q31 VanDerWaalsContact OG-CG 3.29Å; S28-Q31 WeakPolarHBondContact OG-CG 3.45Å; S28-Q31 PolarHBondContact OG-N 3.48Å; Q31-K33 VanDerWaalsContact C-N 3.26Å; Q31-K33 PolarHBondContact O-N 3.49Å; Q31-A34 PolarHBondContact O-N 3.48Å; Q31-I35 HydrophobicContact CB-CD1 3.83Å; Q31-I35 HydrophobicContact CB-CG1 4.48Å; Q31-I35 HydrophobicContact CG-CD1 4.37Å; Q31-I35 WeakPolarHBondContact O-CB 3.34Å; Q31-I35 WeakPolarHBondContact O-CG1 3.32Å; Q31-I35 PolarHBondContact O-N 2.85Å; Q31-G53 PolarHBondContact NE2-O 3.18Å; Q31-G53 VanDerWaalsContact NE2-O 3.07Å; Q31-A57 HydrophobicContact CG-CB 3.85Å
32L94.5Very high92.9Very high60 Ų6056.4 Ų56.431%0.31428%0.281SS..Hα-helixtrans-54.8-40.9175-77.4171.8000112.1K4 L9 P27 S28 E29 P36K4-L32 HydrophobicContact CB-CD2 3.92Å; L9-L32 HydrophobicContact CD1-CD2 4.26Å; L9-L32 HydrophobicContact CD2-CD2 3.89Å; P27-L32 HydrophobicContact CB-CD2 4.2Å; P27-L32 HydrophobicContact CB-CG 4.13Å; P27-L32 HydrophobicContact CG-CD2 3.43Å; P27-L32 VanDerWaalsContact CG-CD2 3.43Å; P27-L32 HydrophobicContact CG-CG 3.81Å; S28-L32 WeakPolarHBondContact O-CG 3.48Å; S28-L32 PolarHBondContact O-N 3.02Å; E29-L32 PolarHBondContact O-N 2.93Å; L32-P36 VanDerWaalsContact O-CD 3.26Å; L32-P36 WeakPolarHBondContact O-CD 3.3Å; L32-P36 WeakPolarHBondContact O-CG 3.38Å
33K93.5Very high93.3Very high80 Ų8054.2 Ų54.235%0.34827%0.269SS..Hα-helixtrans-82.1-45.1-179.8-67-179.2-170.2173.40112.5E29 I30 Q31 L207 E208 V209E29-K33 WeakPolarHBondContact O-CG 3.44Å; E29-K33 PolarHBondContact O-N 3.17Å; E29-K33 VanDerWaalsContact OE1-CE 3.31Å; E29-K33 WeakPolarHBondContact OE1-CE 3.12Å; E29-K33 IonicContact OE1-NZ 2.73Å; E29-K33 PolarHBondContact OE1-NZ 2.93Å; I30-K33 PolarHBondContact O-N 3.35Å; Q31-K33 VanDerWaalsContact C-N 3.26Å; Q31-K33 PolarHBondContact O-N 3.49Å; K33-L207 HydrophobicContact CB-CD1 4Å; K33-L207 HydrophobicContact CB-CD2 3.98Å; K33-L207 HydrophobicContact CB-CG 4.41Å; K33-E208 PolarHBondContact NZ-O 3.34Å; K33-V209 HydrophobicContact CD-CG2 3.88Å
34A95.9Very high93.7Very high0 Ų051.7 Ų51.70%024%0.244CC..Hα-helixtrans-79.9-41.5-169.300000113.8I30 Q31 A37 A38 A57 L207I30-A34 WeakPolarHBondContact O-CB 3.49Å; I30-A34 PolarHBondContact O-N 2.77Å; Q31-A34 PolarHBondContact O-N 3.48Å; A34-A37 PolarHBondContact O-N 3.42Å; A34-A38 VanDerWaalsContact O-CB 3.31Å; A34-A38 WeakPolarHBondContact O-CB 3.46Å; A34-A38 PolarHBondContact O-N 2.9Å; A34-A57 HydrophobicContact CB-CB 4.13Å; A34-L207 HydrophobicContact CB-CD1 3.67Å
35I96.9Very high93.9Very high0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-60.1-50.9-174.5-65.4168.9000111.2F6 L9 V11 Q31 A37 A38 L39 I60F6-I35 HydrophobicContact CD1-CD1 4.18Å; F6-I35 HydrophobicContact CE1-CD1 4.09Å; L9-I35 HydrophobicContact CB-CG2 4.23Å; L9-I35 HydrophobicContact CD1-CB 4.34Å; L9-I35 HydrophobicContact CD1-CD1 4.12Å; V11-I35 HydrophobicContact CG2-CG2 3.92Å; Q31-I35 HydrophobicContact CB-CD1 3.83Å; Q31-I35 HydrophobicContact CB-CG1 4.48Å; Q31-I35 HydrophobicContact CG-CD1 4.37Å; Q31-I35 WeakPolarHBondContact O-CB 3.34Å; Q31-I35 WeakPolarHBondContact O-CG1 3.32Å; Q31-I35 PolarHBondContact O-N 2.85Å; I35-A37 VanDerWaalsContact C-N 3.31Å; I35-A37 PolarHBondContact O-N 3.19Å; I35-A38 PolarHBondContact O-N 3.34Å; I35-L39 HydrophobicContact CG2-CD1 3.87Å; I35-L39 HydrophobicContact CG2-CG 4.21Å; I35-L39 VanDerWaalsContact O-CG 3.32Å; I35-L39 WeakPolarHBondContact O-CG 3.26Å; I35-L39 PolarHBondContact O-N 3.23Å; I35-I60 HydrophobicContact CD1-CB 4.46Å; I35-I60 HydrophobicContact CD1-CD1 3.83Å; I35-I60 HydrophobicContact CD1-CG2 4.42Å; I35-I60 HydrophobicContact CG2-CG2 4.44Å
36P96.1Very high94.4Very high26 Ų2642.5 Ų42.517%0.16920%0.195CC..Hα-helixtrans-62-36.7179.7-24.435.8000113.4L9 L32 R40L9-P36 HydrophobicContact CB-CG 4.21Å; L9-P36 HydrophobicContact CD2-CG 3.88Å; L32-P36 VanDerWaalsContact O-CD 3.26Å; L32-P36 WeakPolarHBondContact O-CD 3.3Å; L32-P36 WeakPolarHBondContact O-CG 3.38Å; P36-R40 WeakPolarHBondContact O-CG 3.28Å; P36-R40 PolarHBondContact O-N 3.24Å
37A95.6Very high94.5Very high2 Ų236.9 Ų36.92%0.01717%0.172CC..Hα-helixtrans-69.1-41.217800000111.8A34 I35 R40 K42 I44 V205A34-A37 PolarHBondContact O-N 3.42Å; I35-A37 VanDerWaalsContact C-N 3.31Å; I35-A37 PolarHBondContact O-N 3.19Å; A37-R40 PolarHBondContact O-N 3.04Å; A37-K42 PolarHBondContact O-N 3.16Å; A37-I44 HydrophobicContact CB-CD1 3.47Å; A37-I44 VanDerWaalsContact CB-CD1 3.47Å; A37-V205 HydrophobicContact CB-CB 4.44Å; A37-V205 HydrophobicContact CB-CG1 4.39Å; A37-V205 HydrophobicContact CB-CG2 4.36Å
38A96.8Very high94.1Very high0 Ų036.4 Ų36.40%017%0.169CC..Hα-helixtrans-64.7-41.9176.400000112.1A34 I35 R40 K41 I44 P61 Q181 F183A34-A38 VanDerWaalsContact O-CB 3.31Å; A34-A38 WeakPolarHBondContact O-CB 3.46Å; A34-A38 PolarHBondContact O-N 2.9Å; I35-A38 PolarHBondContact O-N 3.34Å; A38-R40 VanDerWaalsContact C-N 3.27Å; A38-R40 PolarHBondContact O-N 3.08Å; A38-K41 WeakPolarHBondContact O-CA 3.44Å; A38-K41 PolarHBondContact O-N 3.32Å; A38-I44 HydrophobicContact CB-CG1 4.3Å; A38-P61 HydrophobicContact CB-CB 3.62Å; A38-P61 HydrophobicContact CB-CG 3.58Å; A38-Q181 PolarHBondContact O-NE2 3.17Å; A38-F183 HydrophobicContact CB-CE1 4.03Å; A38-F183 HydrophobicContact CB-CE2 4.42Å; A38-F183 HydrophobicContact CB-CZ 3.64Å
39L96Very high93.4Very high41 Ų4140 Ų4022%0.21518%0.181CC..Hα-helixtrans-63.2-32176-69.4178.3000112.5L9 G10 I35 K41 P61 Q64L9-L39 WeakPolarHBondContact O-CD1 3.18Å; G10-L39 WeakPolarHBondContact O-CD1 3.06Å; I35-L39 HydrophobicContact CG2-CD1 3.87Å; I35-L39 HydrophobicContact CG2-CG 4.21Å; I35-L39 VanDerWaalsContact O-CG 3.32Å; I35-L39 WeakPolarHBondContact O-CG 3.26Å; I35-L39 PolarHBondContact O-N 3.23Å; L39-K41 PolarHBondContact O-N 3.35Å; L39-K41 VanDerWaalsContact O-N 3.17Å; L39-P61 HydrophobicContact CD2-CB 3.95Å; L39-P61 HydrophobicContact CG-CB 4.36Å; L39-Q64 HydrophobicContact CD2-CB 4.38Å; L39-Q64 HydrophobicContact CD2-CG 4.32Å
40R95.2Very high92.5Very high171 Ų17137 Ų3765%0.64517%0.17SC*.THydrogen-bonded Turntrans-76.414.8170.3-69.2-172.3-61.9-97.41.1114.4P36 A37 A38 K42P36-R40 WeakPolarHBondContact O-CG 3.28Å; P36-R40 PolarHBondContact O-N 3.24Å; A37-R40 PolarHBondContact O-N 3.04Å; A38-R40 VanDerWaalsContact C-N 3.27Å; A38-R40 PolarHBondContact O-N 3.08Å; R40-K42 VanDerWaalsContact C-N 3.27Å; R40-K42 PolarHBondContact O-N 2.88Å
41K94.9Very high91.5Very high98 Ų9839.8 Ų39.843%0.42620%0.199SC..THydrogen-bonded Turntrans60.229.7175.8-53-57-175.6-179.10114.5A38 L39 D65 Y151 Q181A38-K41 WeakPolarHBondContact O-CA 3.44Å; A38-K41 PolarHBondContact O-N 3.32Å; L39-K41 PolarHBondContact O-N 3.35Å; L39-K41 VanDerWaalsContact O-N 3.17Å; K41-D65 IonicContact NZ-OD1 2.9Å; K41-D65 PolarHBondContact NZ-OD1 3.32Å; K41-D65 IonicContact NZ-OD2 3.12Å; K41-D65 PolarHBondContact NZ-OD2 3.28Å; K41-Y151 PolarHBondContact NZ-OH 2.96Å; K41-Q181 VanDerWaalsContact C-NE2 3.32Å
42K95.8Very high90.6Very high110 Ų11040 Ų4048%0.47820%0.201SC..  trans-90.8145.2173.1-61.5-63.7-174.81780111.4A37 R40 Q181 V205A37-K42 PolarHBondContact O-N 3.16Å; R40-K42 VanDerWaalsContact C-N 3.27Å; R40-K42 PolarHBondContact O-N 2.88Å; K42-Q181 PolarHBondContact O-NE2 2.73Å; K42-V205 HydrophobicContact CB-CG2 3.85Å; K42-V205 HydrophobicContact CG-CG2 4.11Å
43D97Very high90.1Very high13 Ų1338.2 Ų38.27%0.0720%0.198CC..  trans-64.4148.9165.7-75.10.1000109.8Q181 T182 T201 K202 P204 V205D43-Q181 WeakPolarHBondContact OD1-CA 3.49Å; D43-T182 VanDerWaalsContact CA-O 3.27Å; D43-T182 WeakPolarHBondContact CA-O 3.26Å; D43-T182 WeakPolarHBondContact CB-O 3.4Å; D43-T182 PolarHBondContact OD1-N 2.61Å; D43-T201 HydrophobicContact CB-CG2 4.38Å; D43-T201 WeakPolarHBondContact OD2-CA 3.27Å; D43-K202 PolarHBondContact OD2-N 3.13Å; D43-P204 HydrophobicContact CB-CB 3.93Å; D43-P204 CarbonylContact O-C 3.54Å; D43-P204 VanDerWaalsContact O-CA 3.3Å; D43-P204 WeakPolarHBondContact O-CA 3.25Å; D43-V205 PolarHBondContact O-N 2.92Å
44I96.5Very high90Very high0 Ų034.9 Ų34.90%018%0.183CC..EExtended strand (participates in β ladder)trans-125136.3-174.1-56.7-63.4000109.8A37 A38 T182 F183 L184 V205 L207A37-I44 HydrophobicContact CB-CD1 3.47Å; A37-I44 VanDerWaalsContact CB-CD1 3.47Å; A38-I44 HydrophobicContact CB-CG1 4.3Å; I44-T182 PolarHBondContact N-O 2.97Å; I44-F183 HydrophobicContact CB-CB 4.49Å; I44-F183 HydrophobicContact CB-CD1 3.64Å; I44-F183 HydrophobicContact CB-CE1 4.23Å; I44-F183 HydrophobicContact CB-CG 4.35Å; I44-F183 HydrophobicContact CG1-CD1 3.56Å; I44-F183 HydrophobicContact CG1-CE1 3.61Å; I44-F183 CarbonylContact O-C 3.54Å; I44-F183 WeakPolarHBondContact O-CA 3.1Å; I44-L184 PolarHBondContact O-N 3.36Å; I44-V205 HydrophobicContact CD1-CB 4.14Å; I44-L207 HydrophobicContact CD1-CD1 4.44Å; I44-L207 HydrophobicContact CG2-CD1 3.99Å
45V95Very high89.9Confident0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-118.6101.6162.8175.40000107.3L47 L184 M189 R197 P204 V205 I206 L207V45-L47 HydrophobicContact CG1-CG 4.43Å; V45-L184 CarbonylContact C-O 3.5Å; V45-L184 VanDerWaalsContact CA-O 3.28Å; V45-L184 WeakPolarHBondContact CA-O 3.21Å; V45-L184 HydrophobicContact CG1-CD2 4.26Å; V45-L184 HydrophobicContact CG2-CB 4.35Å; V45-M189 HydrophobicContact CG1-CE 3.55Å; V45-R197 HydrophobicContact CG2-CG 3.76Å; V45-P204 HydrophobicContact CG2-CB 3.76Å; V45-P204 HydrophobicContact CG2-CG 3.87Å; V45-V205 PolarHBondContact N-O 2.75Å; V45-I206 HydrophobicContact CB-CG1 4.27Å; V45-I206 HydrophobicContact CG1-CG2 4.45Å; V45-I206 WeakPolarHBondContact O-CA 3.24Å; V45-L207 PolarHBondContact O-N 3.36Å
46G93.2Very high89.8Confident0 Ų036.7 Ų36.70%020%0.195CC..EExtended strand (participates in β ladder)trans-99.9109.9-17900000111.7L184 Y185 S186G46-L184 PolarHBondContact N-O 3.25Å; G46-Y185 WeakPolarHBondContact O-CA 3.47Å; G46-S186 PolarHBondContact O-N 2.84Å
47L90.3Very high89.8Confident13 Ų1335.4 Ų35.47%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-100.3107174.9-63.6173.7000108.9V45 S186 M189 L207 E208 V209V45-L47 HydrophobicContact CG1-CG 4.43Å; L47-S186 WeakPolarHBondContact CA-O 3.39Å; L47-M189 HydrophobicContact CD1-CB 3.83Å; L47-M189 HydrophobicContact CD1-CE 3.69Å; L47-M189 HydrophobicContact CD2-CB 4.21Å; L47-M189 HydrophobicContact CD2-CE 4.06Å; L47-M189 HydrophobicContact CG-CE 4.18Å; L47-L207 PolarHBondContact N-O 3.07Å; L47-E208 HydrophobicContact CB-CG 3.93Å; L47-E208 HydrophobicContact CD1-CG 3.59Å; L47-E208 HydrophobicContact CG-CG 4.3Å; L47-V209 PolarHBondContact O-N 3.43Å
48A84.9Confident89.9Confident2 Ų235.3 Ų35.32%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-155.7153.4178.800000110.7I30 S52 K54 S186 A187 V209I30-A48 HydrophobicContact CB-CB 4.28Å; I30-A48 HydrophobicContact CD1-CB 4.26Å; I30-A48 HydrophobicContact CG1-CB 4.16Å; A48-S52 VanDerWaalsContact CB-OG 3.29Å; A48-S52 WeakPolarHBondContact CB-OG 3.32Å; A48-K54 HydrophobicContact CB-CD 4.04Å; A48-K54 HydrophobicContact CB-CG 4.17Å; A48-K54 VanDerWaalsContact O-CE 3.28Å; A48-K54 WeakPolarHBondContact O-CE 3.3Å; A48-K54 PolarHBondContact O-NZ 3.33Å; A48-S186 PolarHBondContact N-O 2.74Å; A48-A187 WeakPolarHBondContact O-CA 3.47Å; A48-V209 WeakPolarHBondContact CA-O 3.49Å; A48-V209 HydrophobicContact CB-CB 4.02Å; A48-V209 HydrophobicContact CB-CG1 4.49Å
49E75.7Confident89.9Confident110 Ų11035.3 Ų35.351%0.51419%0.186SC..  trans-63.1163.8177.764.1179.6177.800113.6S52 K54E49-S52 WeakPolarHBondContact O-CB 3.35Å; E49-S52 PolarHBondContact O-N 2.65Å; E49-S52 PolarHBondContact O-OG 3.04Å; E49-K54 VanDerWaalsContact O-CE 3.29Å; E49-K54 WeakPolarHBondContact O-CE 3.42Å
50T72Confident90Very high36 Ų3633.4 Ų33.422%0.22118%0.176CC..THydrogen-bonded Turntrans-63.8138173.356.90000110.7S52 R350T50-S52 VanDerWaalsContact C-N 3.32Å; T50-R350 PolarHBondContact OG1-NH2 3.37Å
51G70.5Confident90.1Very high58 Ų5825.3 Ų25.360%0.59815%0.145SC*.THydrogen-bonded Turntrans86.5-5.2-177.900000114.7G53G51-G53 PolarHBondContact O-N 2.79Å
52S75.5Confident90.2Very high19 Ų1920.6 Ų20.613%0.13313%0.125CC..SBendtrans-67.7-3.7176.456.80000114.8S28 I30 A48 E49 T50S28-S52 WeakPolarHBondContact CB-O 3.45Å; S28-S52 PolarHBondContact OG-O 3.38Å; I30-S52 WeakPolarHBondContact CG2-O 3.33Å; A48-S52 VanDerWaalsContact CB-OG 3.29Å; A48-S52 WeakPolarHBondContact CB-OG 3.32Å; E49-S52 WeakPolarHBondContact O-CB 3.35Å; E49-S52 PolarHBondContact O-N 2.65Å; E49-S52 PolarHBondContact O-OG 3.04Å; T50-S52 VanDerWaalsContact C-N 3.32Å
53G85.1Confident90.3Very high23 Ų2315.6 Ų15.624%0.23710%0.104CC..SBendtrans89.719.2-179.400000115.1Q31 G51 T55 A56 A57Q31-G53 PolarHBondContact NE2-O 3.18Å; Q31-G53 VanDerWaalsContact NE2-O 3.07Å; G51-G53 PolarHBondContact O-N 2.79Å; G53-T55 VanDerWaalsContact C-N 3.28Å; G53-T55 PolarHBondContact O-N 3.41Å; G53-A56 PolarHBondContact O-N 3.31Å; G53-A57 PolarHBondContact O-N 3.1Å; G53-A57 VanDerWaalsContact O-N 3.14Å
54K91.8Very high90.3Very high10 Ų1016.9 Ų16.94%0.04311%0.109CC..Hα-helixtrans-51.4-41.8176.8-73.1-179.9-72.8-175.90113.5I30 A48 E49 A56 A57 F58 Y185I30-K54 HydrophobicContact CG1-CG 4.25Å; I30-K54 HydrophobicContact CG2-CG 4.43Å; A48-K54 HydrophobicContact CB-CD 4.04Å; A48-K54 HydrophobicContact CB-CG 4.17Å; A48-K54 VanDerWaalsContact O-CE 3.28Å; A48-K54 WeakPolarHBondContact O-CE 3.3Å; A48-K54 PolarHBondContact O-NZ 3.33Å; E49-K54 VanDerWaalsContact O-CE 3.29Å; E49-K54 WeakPolarHBondContact O-CE 3.42Å; K54-A56 PolarHBondContact O-N 2.8Å; K54-A57 WeakPolarHBondContact O-CA 3.37Å; K54-A57 VanDerWaalsContact O-CB 3.26Å; K54-A57 WeakPolarHBondContact O-CB 3.38Å; K54-A57 PolarHBondContact O-N 3.02Å; K54-F58 WeakPolarHBondContact O-CD1 3.07Å; K54-F58 PolarHBondContact O-N 2.9Å; K54-Y185 HydrophobicContact CB-CD1 3.99Å; K54-Y185 HydrophobicContact CB-CE1 4.43Å; K54-Y185 HydrophobicContact CB-CG 4.45Å; K54-Y185 HydrophobicContact CD-CD1 3.88Å; K54-Y185 HydrophobicContact CD-CG 4.42Å; K54-Y185 HydrophobicContact CG-CD1 3.78Å; K54-Y185 HydrophobicContact CG-CE1 4.32Å
55T93.6Very high90.3Very high33 Ų3318 Ų1820%0.20212%0.115CC..Hα-helixtrans-61.6-46-176.6-42.30000112.1G53 A57 F58 A59 V88 L91G53-T55 VanDerWaalsContact C-N 3.28Å; G53-T55 PolarHBondContact O-N 3.41Å; T55-A57 VanDerWaalsContact C-N 3.31Å; T55-A57 PolarHBondContact O-N 2.83Å; T55-F58 VanDerWaalsContact CA-CE1 3.46Å; T55-F58 HydrophobicContact CG2-CE1 4.24Å; T55-F58 HydrophobicContact CG2-CE2 3.99Å; T55-F58 HydrophobicContact CG2-CZ 3.57Å; T55-F58 WeakPolarHBondContact O-CD2 3.28Å; T55-F58 PolarHBondContact O-N 2.79Å; T55-A59 WeakPolarHBondContact O-CB 3.45Å; T55-A59 PolarHBondContact O-N 2.8Å; T55-V88 HydrophobicContact CG2-CB 4.34Å; T55-V88 HydrophobicContact CG2-CG1 4.35Å; T55-V88 HydrophobicContact CG2-CG2 3.9Å; T55-L91 VanDerWaalsContact CB-CD2 3.49Å; T55-L91 HydrophobicContact CG2-CB 4.37Å; T55-L91 HydrophobicContact CG2-CD2 3.34Å; T55-L91 HydrophobicContact CG2-CG 4.48Å
56A94.5Very high90.4Very high5 Ų518.6 Ų18.64%0.04112%0.118CC..Hα-helixtrans-66.9-34.3173.800000111.8W24 G53 K54 F58 A59 I60 L91W24-A56 HydrophobicContact CH2-CB 3.96Å; W24-A56 HydrophobicContact CZ3-CB 3.84Å; G53-A56 PolarHBondContact O-N 3.31Å; K54-A56 PolarHBondContact O-N 2.8Å; A56-F58 PolarHBondContact O-N 3.3Å; A56-A59 PolarHBondContact O-N 2.82Å; A56-I60 HydrophobicContact CB-CD1 4.27Å; A56-I60 WeakPolarHBondContact O-CB 3.28Å; A56-I60 WeakPolarHBondContact O-CD1 3.48Å; A56-I60 VanDerWaalsContact O-CG1 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.26Å; A56-I60 PolarHBondContact O-N 2.81Å; A56-L91 HydrophobicContact CB-CD2 4.19Å
57A96.1Very high90.5Very high0 Ų021.4 Ų21.40%013%0.133CC..Hα-helixtrans-59.8-32.5179.700000113.3Q31 A34 G53 K54 T55 P61Q31-A57 HydrophobicContact CG-CB 3.85Å; A34-A57 HydrophobicContact CB-CB 4.13Å; G53-A57 PolarHBondContact O-N 3.1Å; G53-A57 VanDerWaalsContact O-N 3.14Å; K54-A57 WeakPolarHBondContact O-CA 3.37Å; K54-A57 VanDerWaalsContact O-CB 3.26Å; K54-A57 WeakPolarHBondContact O-CB 3.38Å; K54-A57 PolarHBondContact O-N 3.02Å; T55-A57 VanDerWaalsContact C-N 3.31Å; T55-A57 PolarHBondContact O-N 2.83Å; A57-P61 VanDerWaalsContact O-CD 3.23Å; A57-P61 WeakPolarHBondContact O-CD 3.39Å; A57-P61 WeakPolarHBondContact O-CG 3.08Å
58F97Very high90.6Very high0 Ų024.5 Ų24.50%016%0.155CC..Hα-helixtrans-95-31.517162.9-111.4000114.5K54 T55 A56 P61 I62 I77 V88 F92 V153 D155 F183 Y185K54-F58 WeakPolarHBondContact O-CD1 3.07Å; K54-F58 PolarHBondContact O-N 2.9Å; T55-F58 VanDerWaalsContact CA-CE1 3.46Å; T55-F58 HydrophobicContact CG2-CE1 4.24Å; T55-F58 HydrophobicContact CG2-CE2 3.99Å; T55-F58 HydrophobicContact CG2-CZ 3.57Å; T55-F58 WeakPolarHBondContact O-CD2 3.28Å; T55-F58 PolarHBondContact O-N 2.79Å; A56-F58 PolarHBondContact O-N 3.3Å; F58-P61 WeakPolarHBondContact O-CD 3.38Å; F58-P61 WeakPolarHBondContact O-CG 3.17Å; F58-I62 HydrophobicContact CD2-CD1 4.36Å; F58-I62 VanDerWaalsContact O-CD1 3.29Å; F58-I62 WeakPolarHBondContact O-CD1 3.44Å; F58-I62 WeakPolarHBondContact O-CG1 3.32Å; F58-I62 PolarHBondContact O-N 3.27Å; F58-I77 HydrophobicContact CE2-CG1 4.36Å; F58-I77 HydrophobicContact CE2-CG2 4.34Å; F58-I77 HydrophobicContact CZ-CG2 4.28Å; F58-V88 HydrophobicContact CE2-CG1 4.29Å; F58-V88 HydrophobicContact CZ-CG1 4.36Å; F58-F92 HydrophobicContact CD2-CE2 4.29Å; F58-F92 HydrophobicContact CD2-CZ 4.28Å; F58-F92 AromaticContact CE2-CE2 3.81Å; F58-F92 HydrophobicContact CE2-CE2 3.81Å; F58-F92 HydrophobicContact CE2-CZ 4.25Å; F58-V153 HydrophobicContact CD1-CG1 3.94Å; F58-V153 HydrophobicContact CD2-CG1 4.18Å; F58-V153 HydrophobicContact CD2-CG2 4.42Å; F58-V153 HydrophobicContact CE1-CG1 4.02Å; F58-V153 HydrophobicContact CE2-CG1 4.31Å; F58-V153 HydrophobicContact CG-CG1 4Å; F58-V153 HydrophobicContact CZ-CG1 4.21Å; F58-D155 HydrophobicContact CE1-CB 4.28Å; F58-F183 HydrophobicContact CB-CD2 3.78Å; F58-F183 HydrophobicContact CB-CE2 4.36Å; F58-Y185 HydrophobicContact CB-CE2 3.69Å; F58-Y185 AromaticContact CD1-CD2 3.68Å; F58-Y185 HydrophobicContact CD1-CD2 3.68Å; F58-Y185 AromaticContact CD1-CE2 3.6Å; F58-Y185 HydrophobicContact CD1-CE2 3.6Å; F58-Y185 HydrophobicContact CD1-CG 4.43Å; F58-Y185 HydrophobicContact CE1-CD2 4.35Å; F58-Y185 HydrophobicContact CG-CE2 4.11Å
59A97.5Very high91Very high0 Ų030.8 Ų30.80%018%0.182CC..Hα-helixtrans-65.9-43.9-177.300000111.6T55 A56 I62 L63 F92 L95T55-A59 WeakPolarHBondContact O-CB 3.45Å; T55-A59 PolarHBondContact O-N 2.8Å; A56-A59 PolarHBondContact O-N 2.82Å; A59-I62 PolarHBondContact O-N 3.5Å; A59-L63 WeakPolarHBondContact O-CB 3.23Å; A59-L63 VanDerWaalsContact O-CG 3.32Å; A59-L63 WeakPolarHBondContact O-CG 3.33Å; A59-L63 PolarHBondContact O-N 3.47Å; A59-F92 HydrophobicContact CB-CD1 4.39Å; A59-F92 HydrophobicContact CB-CD2 4.43Å; A59-F92 HydrophobicContact CB-CE1 4.07Å; A59-F92 HydrophobicContact CB-CE2 4.14Å; A59-F92 HydrophobicContact CB-CZ 3.94Å; A59-L95 HydrophobicContact CB-CD1 3.95Å
60I97.3Very high91.7Very high0 Ų030.7 Ų30.70%019%0.192CC..Hα-helixtrans-56.3-56.2-179.1-68.6166.9000112.5F6 V11 I15 I19 W24 I35 A56 I62 L63 Q64 L95F6-I60 HydrophobicContact CD1-CD1 4.01Å; F6-I60 HydrophobicContact CE1-CD1 3.7Å; V11-I60 HydrophobicContact CB-CG2 4.43Å; V11-I60 HydrophobicContact CG1-CG2 3.85Å; V11-I60 HydrophobicContact CG2-CG2 3.66Å; I15-I60 HydrophobicContact CG2-CG1 4.49Å; I15-I60 HydrophobicContact CG2-CG2 4.35Å; I19-I60 HydrophobicContact CD1-CD1 3.81Å; I19-I60 HydrophobicContact CD1-CG1 4.3Å; W24-I60 HydrophobicContact CZ3-CD1 4.44Å; I35-I60 HydrophobicContact CD1-CB 4.46Å; I35-I60 HydrophobicContact CD1-CD1 3.83Å; I35-I60 HydrophobicContact CD1-CG2 4.42Å; I35-I60 HydrophobicContact CG2-CG2 4.44Å; A56-I60 HydrophobicContact CB-CD1 4.27Å; A56-I60 WeakPolarHBondContact O-CB 3.28Å; A56-I60 WeakPolarHBondContact O-CD1 3.48Å; A56-I60 VanDerWaalsContact O-CG1 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.26Å; A56-I60 PolarHBondContact O-N 2.81Å; I60-I62 VanDerWaalsContact C-N 3.29Å; I60-I62 PolarHBondContact O-N 3.02Å; I60-L63 PolarHBondContact O-N 3.19Å; I60-Q64 WeakPolarHBondContact O-CB 3.4Å; I60-Q64 PolarHBondContact O-N 2.88Å; I60-L95 HydrophobicContact CG1-CD1 4.25Å
61P97.5Very high92.7Very high1 Ų135.2 Ų35.21%0.00620%0.204CC..Hα-helixtrans-65.5-30.6-179.424-34.4000113.3A38 L39 A57 F58 D65 F183A38-P61 HydrophobicContact CB-CB 3.62Å; A38-P61 HydrophobicContact CB-CG 3.58Å; L39-P61 HydrophobicContact CD2-CB 3.95Å; L39-P61 HydrophobicContact CG-CB 4.36Å; A57-P61 VanDerWaalsContact O-CD 3.23Å; A57-P61 WeakPolarHBondContact O-CD 3.39Å; A57-P61 WeakPolarHBondContact O-CG 3.08Å; F58-P61 WeakPolarHBondContact O-CD 3.38Å; F58-P61 WeakPolarHBondContact O-CG 3.17Å; P61-D65 PolarHBondContact O-N 3.12Å; P61-F183 HydrophobicContact CG-CE2 4.39Å
62I97.7Very high93.8Very high0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-66.2-48.7174.6-68.1170.9000110.2F58 A59 I60 Q64 D65 L66 F74 A75 F92 Y151 V153 F183F58-I62 HydrophobicContact CD2-CD1 4.36Å; F58-I62 VanDerWaalsContact O-CD1 3.29Å; F58-I62 WeakPolarHBondContact O-CD1 3.44Å; F58-I62 WeakPolarHBondContact O-CG1 3.32Å; F58-I62 PolarHBondContact O-N 3.27Å; A59-I62 PolarHBondContact O-N 3.5Å; I60-I62 VanDerWaalsContact C-N 3.29Å; I60-I62 PolarHBondContact O-N 3.02Å; I62-Q64 VanDerWaalsContact C-N 3.35Å; I62-Q64 PolarHBondContact O-N 3.46Å; I62-D65 PolarHBondContact O-N 3.34Å; I62-L66 WeakPolarHBondContact O-CB 3.4Å; I62-L66 PolarHBondContact O-N 3.5Å; I62-F74 HydrophobicContact CG2-CD1 4.05Å; I62-F74 HydrophobicContact CG2-CE1 4.13Å; I62-F74 WeakPolarHBondContact O-CE1 3.39Å; I62-A75 HydrophobicContact CD1-CB 4.47Å; I62-A75 HydrophobicContact CG2-CB 3.76Å; I62-F92 HydrophobicContact CB-CE1 4.42Å; I62-F92 HydrophobicContact CD1-CZ 4.21Å; I62-F92 HydrophobicContact CG2-CE1 4.11Å; I62-Y151 HydrophobicContact CD1-CD1 4.27Å; I62-Y151 HydrophobicContact CD1-CG 4.27Å; I62-Y151 HydrophobicContact CG1-CD1 3.59Å; I62-Y151 HydrophobicContact CG1-CD2 4.27Å; I62-Y151 HydrophobicContact CG1-CE1 4.1Å; I62-Y151 HydrophobicContact CG1-CG 3.69Å; I62-Y151 HydrophobicContact CG2-CD2 4.42Å; I62-Y151 HydrophobicContact CG2-CG 4.47Å; I62-V153 HydrophobicContact CD1-CG2 3.71Å; I62-F183 HydrophobicContact CD1-CD2 4.31Å; I62-F183 HydrophobicContact CD1-CE2 4.23Å; I62-F183 HydrophobicContact CG1-CE2 4.02Å
63L97.5Very high94.7Very high5 Ų536.9 Ų36.93%0.02620%0.195CC..Hα-helixtrans-65.4-38.9-179.5-71.9175.4000111.9I15 A59 I60 D65 L66 L67 F92 L95 L101I15-L63 HydrophobicContact CD1-CB 3.96Å; A59-L63 WeakPolarHBondContact O-CB 3.23Å; A59-L63 VanDerWaalsContact O-CG 3.32Å; A59-L63 WeakPolarHBondContact O-CG 3.33Å; A59-L63 PolarHBondContact O-N 3.47Å; I60-L63 PolarHBondContact O-N 3.19Å; L63-D65 PolarHBondContact O-N 2.9Å; L63-L66 HydrophobicContact CD2-CD2 4.43Å; L63-L66 PolarHBondContact O-N 3.21Å; L63-L67 WeakPolarHBondContact O-CG 3.44Å; L63-L67 PolarHBondContact O-N 3.26Å; L63-F92 HydrophobicContact CD1-CD1 4.24Å; L63-F92 HydrophobicContact CD2-CD1 3.98Å; L63-F92 HydrophobicContact CD2-CE1 4.33Å; L63-F92 HydrophobicContact CG-CD1 4.09Å; L63-F92 HydrophobicContact CG-CE1 4.21Å; L63-L95 HydrophobicContact CD1-CB 3.37Å; L63-L95 HydrophobicContact CD1-CD1 4.16Å; L63-L95 HydrophobicContact CD1-CG 4.42Å; L63-L101 HydrophobicContact CD2-CD1 3.63Å; L63-L101 HydrophobicContact CD2-CD2 3.76Å; L63-L101 HydrophobicContact CD2-CG 4.29Å
64Q97.3Very high95.2Very high40 Ų4036 Ų3619%0.18719%0.185CC..Hα-helixtrans-62.3-43.3176-176.6161.1-43.600112.2G10 C12 I15 L39 I60 I62 L66 L67 S68G10-Q64 PolarHBondContact O-NE2 3.27Å; G10-Q64 PolarHBondContact O-OE1 2.9Å; C12-Q64 HydrophobicContact CB-CG 4.37Å; I15-Q64 HydrophobicContact CD1-CB 3.81Å; L39-Q64 HydrophobicContact CD2-CB 4.38Å; L39-Q64 HydrophobicContact CD2-CG 4.32Å; I60-Q64 WeakPolarHBondContact O-CB 3.4Å; I60-Q64 PolarHBondContact O-N 2.88Å; I62-Q64 VanDerWaalsContact C-N 3.35Å; I62-Q64 PolarHBondContact O-N 3.46Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; Q64-L67 PolarHBondContact O-N 3.3Å; Q64-S68 PolarHBondContact O-N 3.39Å
65D96.6Very high95.5Very high22 Ų2235.5 Ų35.512%0.11818%0.183CC..Hα-helixtrans-66.9-39.4176.4-161.345.7000111.4K41 P61 I62 L63 L67 S68 K69 F74 Y151K41-D65 IonicContact NZ-OD1 2.9Å; K41-D65 PolarHBondContact NZ-OD1 3.32Å; K41-D65 IonicContact NZ-OD2 3.12Å; K41-D65 PolarHBondContact NZ-OD2 3.28Å; P61-D65 PolarHBondContact O-N 3.12Å; I62-D65 PolarHBondContact O-N 3.34Å; L63-D65 PolarHBondContact O-N 2.9Å; D65-L67 PolarHBondContact O-N 2.97Å; D65-S68 PolarHBondContact O-N 3.27Å; D65-S68 PolarHBondContact O-OG 3.04Å; D65-K69 PolarHBondContact O-N 2.93Å; D65-F74 HydrophobicContact CB-CE1 4.2Å; D65-F74 HydrophobicContact CB-CZ 3.83Å; D65-F74 WeakPolarHBondContact OD2-CZ 3.41Å; D65-Y151 HydrophobicContact CB-CE2 3.99Å; D65-Y151 WeakPolarHBondContact OD2-CE2 3.38Å; D65-Y151 PolarHBondContact OD2-OH 3.27Å
66L96.2Very high95.7Very high14 Ų1434 Ų347%0.07317%0.173CC..Hα-helixtrans-62.5-39.4176.2-178.464000112.4I62 L63 Q64 S68 K69 P70 R71 F74 L101 H125I62-L66 WeakPolarHBondContact O-CB 3.4Å; I62-L66 PolarHBondContact O-N 3.5Å; L63-L66 HydrophobicContact CD2-CD2 4.43Å; L63-L66 PolarHBondContact O-N 3.21Å; Q64-L66 VanDerWaalsContact C-N 3.34Å; L66-S68 VanDerWaalsContact C-N 3.34Å; L66-K69 CarbonylContact O-C 3.57Å; L66-K69 PolarHBondContact O-N 2.86Å; L66-P70 VanDerWaalsContact O-CA 3.27Å; L66-P70 WeakPolarHBondContact O-CA 3.29Å; L66-R71 WeakPolarHBondContact CD1-O 3.27Å; L66-F74 HydrophobicContact CB-CD1 3.9Å; L66-F74 HydrophobicContact CB-CE1 3.79Å; L66-F74 HydrophobicContact CB-CZ 4.32Å; L66-F74 HydrophobicContact CD1-CB 3.93Å; L66-F74 HydrophobicContact CD1-CD1 3.98Å; L66-F74 HydrophobicContact CD1-CD2 4.09Å; L66-F74 HydrophobicContact CD1-CE1 4.49Å; L66-F74 HydrophobicContact CD1-CG 3.75Å; L66-F74 HydrophobicContact CG-CD1 4.39Å; L66-L101 HydrophobicContact CD2-CD1 3.45Å; L66-L101 VanDerWaalsContact CD2-CD1 3.45Å; L66-H125 HydrophobicContact CD1-CB 4.25Å; L66-H125 HydrophobicContact CD2-CB 3.6Å
67L95Very high95.9Very high59 Ų5933.7 Ų33.731%0.30917%0.171SC..Hα-helixtrans-62-42174.4-78175.5000111.7E14 I15 L63 Q64 D65 K69 F99E14-L67 HydrophobicContact CB-CD1 4.33Å; I15-L67 HydrophobicContact CD1-CD1 3.97Å; I15-L67 HydrophobicContact CG1-CD1 3.84Å; L63-L67 WeakPolarHBondContact O-CG 3.44Å; L63-L67 PolarHBondContact O-N 3.26Å; Q64-L67 PolarHBondContact O-N 3.3Å; D65-L67 PolarHBondContact O-N 2.97Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-F99 HydrophobicContact CD1-CD2 4.15Å; L67-F99 HydrophobicContact CD1-CE2 4.2Å; L67-F99 HydrophobicContact CD2-CB 3.66Å; L67-F99 HydrophobicContact CD2-CD1 4.1Å; L67-F99 HydrophobicContact CD2-CD2 3.94Å; L67-F99 HydrophobicContact CD2-CG 3.62Å; L67-F99 HydrophobicContact CG-CD2 4.45Å
68S93.8Very high96Very high77 Ų7733.7 Ų33.754%0.53817%0.171SC..Hα-helixtrans-71.6-29.2178.276.40000113.3Q64 D65 L66Q64-S68 PolarHBondContact O-N 3.39Å; D65-S68 PolarHBondContact O-N 3.27Å; D65-S68 PolarHBondContact O-OG 3.04Å; L66-S68 VanDerWaalsContact C-N 3.34Å
69K92.3Very high95.8Very high134 Ų13433.7 Ų33.758%0.58317%0.171SC*.SBendtrans-139.273.2-175.3-65.9172.9-171.9169.10110.7D65 L66 L67 R71D65-K69 PolarHBondContact O-N 2.93Å; L66-K69 CarbonylContact O-C 3.57Å; L66-K69 PolarHBondContact O-N 2.86Å; L67-K69 VanDerWaalsContact C-N 3.34Å; K69-R71 PolarHBondContact O-N 2.91Å
70P91.9Very high95.4Very high109 Ų10934.1 Ų34.171%0.70817%0.174SC*.  trans-56123.9-177.7-27.536.2000112L66L66-P70 VanDerWaalsContact O-CA 3.27Å; L66-P70 WeakPolarHBondContact O-CA 3.29Å
71R92.9Very high94.8Very high130 Ų13034.6 Ų34.649%0.49118%0.177SC..  trans-155.8144.6179.5-161.1-174.9177.6100.51.1110.9L66 K69 F74 H125 H148L66-R71 WeakPolarHBondContact CD1-O 3.27Å; K69-R71 PolarHBondContact O-N 2.91Å; R71-F74 HydrophobicContact CB-CD2 4.28Å; R71-H125 PolarHBondContact O-CD2 3.39Å; R71-H148 PolarHBondContact NH2-ND1 2.98Å
72H93.7Very high94.2Very high87 Ų8736.5 Ų36.540%0.40318%0.184SC..SBendtrans-73.7160.4168.6-48.6127000111.5F74 F124 H125H72-F74 VanDerWaalsContact C-N 3.28Å; H72-F74 PolarHBondContact O-N 3.37Å; H72-F124 CarbonylContact C-O 3.59Å; H72-F124 VanDerWaalsContact CA-O 3.3Å; H72-F124 WeakPolarHBondContact CA-O 3.49Å; H72-F124 WeakPolarHBondContact CB-O 3.28Å; H72-H125 AromaticContact CD2-CD2 3.74Å; H72-H125 AromaticContact CD2-NE2 3.78Å
73N92.8Very high93.4Very high25 Ų2536.9 Ų36.913%0.13419%0.186CC..SBendtrans52.944.3178.2-57.7-3.8000112.8F124 R145 H148 V149N73-F124 PolarHBondContact N-O 3.23Å; N73-F124 WeakPolarHBondContact OD1-CD2 3.13Å; N73-F124 WeakPolarHBondContact OD1-CE2 3.16Å; N73-F124 VanDerWaalsContact OD1-CZ 3.23Å; N73-F124 WeakPolarHBondContact OD1-CZ 3.5Å; N73-R145 PolarHBondContact ND2-O 3.04Å; N73-H148 HydrophobicContact CB-CB 4.38Å; N73-H148 CarbonylContact O-C 3.53Å; N73-V149 WeakPolarHBondContact O-CA 2.87Å; N73-V149 PolarHBondContact O-N 2.92Å
74F96.5Very high92.9Very high5 Ų537.1 Ų37.12%0.02219%0.187CC..  trans-82.3-42.4-170.3-169.6-108.8000113.2I62 D65 L66 R71 H72 H125 R150 Y151I62-F74 HydrophobicContact CG2-CD1 4.05Å; I62-F74 HydrophobicContact CG2-CE1 4.13Å; I62-F74 WeakPolarHBondContact O-CE1 3.39Å; D65-F74 HydrophobicContact CB-CE1 4.2Å; D65-F74 HydrophobicContact CB-CZ 3.83Å; D65-F74 WeakPolarHBondContact OD2-CZ 3.41Å; L66-F74 HydrophobicContact CB-CD1 3.9Å; L66-F74 HydrophobicContact CB-CE1 3.79Å; L66-F74 HydrophobicContact CB-CZ 4.32Å; L66-F74 HydrophobicContact CD1-CB 3.93Å; L66-F74 HydrophobicContact CD1-CD1 3.98Å; L66-F74 HydrophobicContact CD1-CD2 4.09Å; L66-F74 HydrophobicContact CD1-CE1 4.49Å; L66-F74 HydrophobicContact CD1-CG 3.75Å; L66-F74 HydrophobicContact CG-CD1 4.39Å; R71-F74 HydrophobicContact CB-CD2 4.28Å; H72-F74 VanDerWaalsContact C-N 3.28Å; H72-F74 PolarHBondContact O-N 3.37Å; F74-H125 WeakPolarHBondContact CA-O 3.43Å; F74-H125 VanDerWaalsContact CB-O 3.3Å; F74-H125 WeakPolarHBondContact CB-O 3.41Å; F74-H125 PolarHBondContact N-O 3.17Å; F74-R150 HydrophobicContact CD2-CB 4.25Å; F74-R150 HydrophobicContact CD2-CG 4.14Å; F74-R150 HydrophobicContact CE2-CB 4.06Å; F74-R150 HydrophobicContact CE2-CG 4.04Å; F74-R150 HydrophobicContact CZ-CB 4.47Å; F74-R150 PolarHBondContact O-N 2.83Å; F74-Y151 AromaticContact CD1-CD2 3.97Å; F74-Y151 HydrophobicContact CD1-CD2 3.97Å; F74-Y151 HydrophobicContact CD1-CE2 4.46Å; F74-Y151 AromaticContact CE1-CD2 3.4Å; F74-Y151 HydrophobicContact CE1-CD2 3.4Å; F74-Y151 AromaticContact CE1-CE2 3.47Å; F74-Y151 HydrophobicContact CE1-CE2 3.47Å; F74-Y151 VanDerWaalsContact CE1-CE2 3.47Å; F74-Y151 AromaticContact CZ-CD2 3.81Å; F74-Y151 HydrophobicContact CZ-CD2 3.81Å; F74-Y151 AromaticContact CZ-CE2 3.55Å; F74-Y151 HydrophobicContact CZ-CE2 3.55Å; F74-Y151 PolarHBondContact O-N 2.74Å; F74-Y151 VanDerWaalsContact O-N 3.12Å
75A98Very high92.7Very high0 Ų035.2 Ų35.20%018%0.178CC..EExtended strand (participates in β ladder)trans-132.9143.2-176.700000112.5I62 I77 H125 V126 I127 Y151I62-A75 HydrophobicContact CD1-CB 4.47Å; I62-A75 HydrophobicContact CG2-CB 3.76Å; A75-I77 HydrophobicContact CB-CD1 4.24Å; A75-H125 PolarHBondContact N-O 3.05Å; A75-V126 HydrophobicContact CB-CG1 4.36Å; A75-V126 HydrophobicContact CB-CG2 4.31Å; A75-I127 PolarHBondContact O-N 3.09Å; A75-Y151 CarbonylContact C-O 3.59Å; A75-Y151 VanDerWaalsContact CA-O 3.3Å; A75-Y151 WeakPolarHBondContact CA-O 3.41Å
76L98.3Very high92.3Very high0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-118.6122.6168.517464.7000109.2L78 I127 V134 L146 V149 Y151 F152 V153 I172 L176L76-L78 HydrophobicContact CD1-CD2 3.91Å; L76-L78 HydrophobicContact CD2-CD2 4.32Å; L76-L78 HydrophobicContact CD2-CG 4.46Å; L76-L78 HydrophobicContact CG-CD2 4.15Å; L76-L78 HydrophobicContact CG-CG 4.32Å; L76-I127 CarbonylContact C-O 3.55Å; L76-I127 WeakPolarHBondContact CA-O 3.36Å; L76-I127 HydrophobicContact CD1-CB 3.81Å; L76-I127 HydrophobicContact CD1-CD1 4.48Å; L76-I127 HydrophobicContact CD1-CG2 3.61Å; L76-V134 HydrophobicContact CD1-CG1 4.46Å; L76-L146 HydrophobicContact CD2-CD1 3.84Å; L76-L146 HydrophobicContact CD2-CD2 4.22Å; L76-V149 HydrophobicContact CB-CG1 4.07Å; L76-V149 HydrophobicContact CB-CG2 4.32Å; L76-Y151 PolarHBondContact N-O 3.39Å; L76-F152 HydrophobicContact CB-CD2 4.33Å; L76-F152 HydrophobicContact CD2-CD2 3.98Å; L76-F152 HydrophobicContact CD2-CE2 3.97Å; L76-F152 HydrophobicContact CG-CD2 4.18Å; L76-F152 HydrophobicContact CG-CE2 4.39Å; L76-F152 CarbonylContact O-C 3.56Å; L76-F152 WeakPolarHBondContact O-CA 3.26Å; L76-V153 PolarHBondContact O-N 2.84Å; L76-I172 HydrophobicContact CD2-CG2 3.67Å; L76-L176 HydrophobicContact CD2-CD2 4.06Å
77I98.3Very high91.9Very high0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-115.7119.1174.3-55.296.1000109.2F58 A75 T79 V88 F92 V126 I127 V128 G129 V153F58-I77 HydrophobicContact CE2-CG1 4.36Å; F58-I77 HydrophobicContact CE2-CG2 4.34Å; F58-I77 HydrophobicContact CZ-CG2 4.28Å; A75-I77 HydrophobicContact CB-CD1 4.24Å; I77-T79 HydrophobicContact CG2-CG2 4.34Å; I77-V88 HydrophobicContact CB-CG1 4.46Å; I77-V88 HydrophobicContact CG2-CG1 4.02Å; I77-F92 HydrophobicContact CD1-CE2 3.58Å; I77-F92 HydrophobicContact CD1-CZ 3.63Å; I77-F92 HydrophobicContact CG1-CE2 4.07Å; I77-F92 HydrophobicContact CG1-CZ 4.26Å; I77-V126 HydrophobicContact CD1-CG1 3.22Å; I77-I127 PolarHBondContact N-O 3.27Å; I77-V128 HydrophobicContact CB-CG1 4.46Å; I77-V128 HydrophobicContact CB-CG2 4.45Å; I77-V128 HydrophobicContact CD1-CG2 4.18Å; I77-V128 CarbonylContact O-C 3.53Å; I77-V128 WeakPolarHBondContact O-CA 3.27Å; I77-G129 PolarHBondContact O-N 2.77Å; I77-V153 WeakPolarHBondContact CA-O 3.37Å; I77-V153 HydrophobicContact CB-CB 4.16Å; I77-V153 HydrophobicContact CG1-CB 3.77Å; I77-V153 HydrophobicContact CG1-CG1 4.48Å; I77-V153 HydrophobicContact CG1-CG2 3.89Å; I77-V153 HydrophobicContact CG2-CB 3.99Å; I77-V153 HydrophobicContact CG2-CG1 4.08Å
78L97.4Very high91.9Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-100.9138.9173.8-57.8-178000110.5L76 G129 P131 V134 F152 V153 L154 D155 M160 L169 I172L76-L78 HydrophobicContact CD1-CD2 3.91Å; L76-L78 HydrophobicContact CD2-CD2 4.32Å; L76-L78 HydrophobicContact CD2-CG 4.46Å; L76-L78 HydrophobicContact CG-CD2 4.15Å; L76-L78 HydrophobicContact CG-CG 4.32Å; L78-G129 WeakPolarHBondContact CA-O 3.45Å; L78-P131 HydrophobicContact CD1-CG 4.48Å; L78-V134 HydrophobicContact CD2-CB 4.38Å; L78-V134 HydrophobicContact CD2-CG2 3.86Å; L78-F152 HydrophobicContact CD1-CE2 3.67Å; L78-F152 HydrophobicContact CD1-CZ 4.01Å; L78-F152 HydrophobicContact CG-CE2 3.99Å; L78-V153 PolarHBondContact N-O 3.04Å; L78-L154 HydrophobicContact CB-CD2 4Å; L78-L154 HydrophobicContact CD1-CD2 3.91Å; L78-L154 HydrophobicContact CG-CD2 4.36Å; L78-D155 PolarHBondContact O-N 3.09Å; L78-M160 HydrophobicContact CB-SD 3.85Å; L78-L169 HydrophobicContact CD1-CD2 3.44Å; L78-L169 VanDerWaalsContact CD1-CD2 3.44Å; L78-I172 HydrophobicContact CD1-CD1 3.77Å; L78-I172 HydrophobicContact CD1-CG2 4.27Å; L78-I172 HydrophobicContact CD2-CD1 4.22Å
79T93.6Very high92Very high0 Ų034 Ų340%016%0.161CC..  trans-134.6150.3178.561.50000109.1I77 T81 L84 A85 V88 G129 T130 P131 D155I77-T79 HydrophobicContact CG2-CG2 4.34Å; T79-T81 PolarHBondContact OG1-O 2.89Å; T79-L84 HydrophobicContact CG2-CB 4.48Å; T79-L84 HydrophobicContact CG2-CD2 4.14Å; T79-L84 HydrophobicContact CG2-CG 3.89Å; T79-A85 WeakPolarHBondContact OG1-CB 3.44Å; T79-A85 PolarHBondContact OG1-N 3.29Å; T79-V88 HydrophobicContact CG2-CG2 4.02Å; T79-G129 PolarHBondContact N-O 3.17Å; T79-G129 PolarHBondContact OG1-O 3.24Å; T79-T130 WeakPolarHBondContact O-CA 3.35Å; T79-P131 WeakPolarHBondContact O-CD 3.31Å; T79-D155 HydrophobicContact CG2-CB 4.3Å
80P88.7Confident92Very high8 Ų831 Ų315%0.05216%0.156CC..SBendtrans-68.3-36.2178.926.8-37000112.9L84 D155 E156 Q159 M160P80-L84 HydrophobicContact CG-CD2 4.46Å; P80-D155 VanDerWaalsContact CD-O 3.29Å; P80-D155 WeakPolarHBondContact CD-O 3.36Å; P80-E156 HydrophobicContact CG-CB 3.79Å; P80-Q159 HydrophobicContact CB-CB 3.93Å; P80-Q159 HydrophobicContact CG-CB 3.9Å; P80-M160 HydrophobicContact CB-CG 3.83Å; P80-M160 HydrophobicContact CG-CG 4.35Å
81T84.9Confident92.1Very high11 Ų1126.9 Ų26.97%0.06713%0.128CC..SBendtrans-117.3151.1-172.173.40000112.3T79 E83 L84 A85 R313T79-T81 PolarHBondContact OG1-O 2.89Å; T81-E83 PolarHBondContact O-N 3.44Å; T81-L84 PolarHBondContact O-N 3.23Å; T81-L84 WeakPolarHBondContact OG1-CB 3.41Å; T81-L84 PolarHBondContact OG1-N 3.14Å; T81-A85 PolarHBondContact O-N 3.27Å; T81-A85 VanDerWaalsContact O-N 3.12Å; T81-R313 HydrophobicContact CG2-CB 4.18Å
82R84.9Confident92.3Very high40 Ų4020.7 Ų20.715%0.15111%0.105CC..Hα-helixtrans-63.8-35.3178.4-52.7173.953.5179.76.9111.6A85 L86 V107 G108 G109 Q110 T130 Q287R82-A85 WeakPolarHBondContact O-CB 3.43Å; R82-A85 PolarHBondContact O-N 3.46Å; R82-L86 WeakPolarHBondContact O-CG 3.43Å; R82-L86 PolarHBondContact O-N 3.45Å; R82-L86 VanDerWaalsContact O-N 3.1Å; R82-V107 HydrophobicContact CB-CB 4.06Å; R82-V107 HydrophobicContact CB-CG1 4.21Å; R82-V107 HydrophobicContact CB-CG2 4.46Å; R82-V107 HydrophobicContact CG-CB 3.99Å; R82-V107 HydrophobicContact CG-CG1 4.49Å; R82-G108 WeakPolarHBondContact CD-O 3.43Å; R82-G108 PolarHBondContact NE-O 3.41Å; R82-G108 PolarHBondContact NH1-O 3.46Å; R82-G108 PolarHBondContact NH2-O 3.33Å; R82-G109 VanDerWaalsContact NH1-CA 3.34Å; R82-G109 PolarHBondContact NH1-O 2.91Å; R82-G109 PolarHBondContact NH2-O 3.14Å; R82-Q110 VanDerWaalsContact NH2-N 3.19Å; R82-T130 HydrophobicContact CG-CG2 4.37Å; R82-Q287 VanDerWaalsContact CZ-OE1 3.27Å; R82-Q287 VanDerWaalsContact NH1-OE1 3.08Å; R82-Q287 VanDerWaalsContact NH2-CG 3.29Å
83E81.2Confident92.4Very high8 Ų818.8 Ų18.84%0.03710%0.097CC..Hα-helixtrans-66.6-45.6-179-66.159.8-130.500110.9T81 A85 L86 Q87 Q287 R290 L315T81-E83 PolarHBondContact O-N 3.44Å; E83-A85 VanDerWaalsContact C-N 3.34Å; E83-A85 PolarHBondContact O-N 3.38Å; E83-L86 PolarHBondContact O-N 3.38Å; E83-Q87 WeakPolarHBondContact O-CG 3.39Å; E83-Q87 PolarHBondContact O-N 3.13Å; E83-Q287 PolarHBondContact OE1-NE2 3.11Å; E83-Q287 PolarHBondContact OE1-OE1 3.24Å; E83-R290 VanDerWaalsContact CD-CZ 3.43Å; E83-R290 VanDerWaalsContact CD-NH1 3.34Å; E83-R290 IonicContact OE1-CZ 2.87Å; E83-R290 IonicContact OE1-NE 3.59Å; E83-R290 IonicContact OE1-NH1 2.8Å; E83-R290 PolarHBondContact OE1-NH1 2.89Å; E83-R290 IonicContact OE1-NH2 3.8Å; E83-R290 PolarHBondContact OE1-NH2 3.45Å; E83-R290 VanDerWaalsContact OE1-NH2 3.16Å; E83-R290 IonicContact OE2-CZ 3.87Å; E83-R290 IonicContact OE2-NH1 3.28Å; E83-R290 PolarHBondContact OE2-NH1 2.78Å; E83-R290 IonicContact OE2-NH2 2.71Å; E83-R290 PolarHBondContact OE2-NH2 2.87Å; E83-L315 HydrophobicContact CB-CD2 3.33Å; E83-L315 HydrophobicContact CB-CG 4.31Å; E83-L315 HydrophobicContact CG-CD2 3.78Å; E83-L315 HydrophobicContact CG-CG 4.5Å
84L87.8Confident92.4Very high11 Ų1122.7 Ų22.76%0.05811%0.114CC..Hα-helixtrans-63.5-42176.6-177.258.1000110.8T79 P80 T81 L86 Q87 V88 E156T79-L84 HydrophobicContact CG2-CB 4.48Å; T79-L84 HydrophobicContact CG2-CD2 4.14Å; T79-L84 HydrophobicContact CG2-CG 3.89Å; P80-L84 HydrophobicContact CG-CD2 4.46Å; T81-L84 PolarHBondContact O-N 3.23Å; T81-L84 WeakPolarHBondContact OG1-CB 3.41Å; T81-L84 PolarHBondContact OG1-N 3.14Å; L84-L86 VanDerWaalsContact C-N 3.28Å; L84-L86 PolarHBondContact O-N 2.91Å; L84-Q87 WeakPolarHBondContact O-CB 3.38Å; L84-Q87 PolarHBondContact O-N 3.21Å; L84-Q87 VanDerWaalsContact O-N 3.11Å; L84-V88 HydrophobicContact CD1-CG2 4.22Å; L84-V88 HydrophobicContact CG-CG2 4.31Å; L84-V88 VanDerWaalsContact O-CG2 3.26Å; L84-V88 WeakPolarHBondContact O-CG2 3.39Å; L84-V88 PolarHBondContact O-N 3.02Å; L84-E156 HydrophobicContact CD2-CB 4.33Å; L84-E156 HydrophobicContact CD2-CG 3.7Å
85A91.9Very high92.3Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-54.3-43.4173.300000112.7T79 T81 R82 E83 K89 V107 V128T79-A85 WeakPolarHBondContact OG1-CB 3.44Å; T79-A85 PolarHBondContact OG1-N 3.29Å; T81-A85 PolarHBondContact O-N 3.27Å; T81-A85 VanDerWaalsContact O-N 3.12Å; R82-A85 WeakPolarHBondContact O-CB 3.43Å; R82-A85 PolarHBondContact O-N 3.46Å; E83-A85 VanDerWaalsContact C-N 3.34Å; E83-A85 PolarHBondContact O-N 3.38Å; A85-K89 WeakPolarHBondContact O-CB 3.34Å; A85-K89 PolarHBondContact O-N 3.43Å; A85-V107 HydrophobicContact CB-CG1 3.54Å; A85-V128 HydrophobicContact CB-CG1 3.94Å; A85-V128 WeakPolarHBondContact O-CG1 3.34Å
86L89Confident92.2Very high33 Ų3322.4 Ų22.417%0.17311%0.113CC..Hα-helixtrans-67.1-40.9177.2-70.5169.8000111.9R82 E83 L84 K89 C90R82-L86 WeakPolarHBondContact O-CG 3.43Å; R82-L86 PolarHBondContact O-N 3.45Å; R82-L86 VanDerWaalsContact O-N 3.1Å; E83-L86 PolarHBondContact O-N 3.38Å; L84-L86 VanDerWaalsContact C-N 3.28Å; L84-L86 PolarHBondContact O-N 2.91Å; L86-K89 PolarHBondContact O-N 2.84Å; L86-C90 PolarHBondContact O-N 2.87Å; L86-C90 PolarHBondContact O-SG 3.31Å
87Q87.6Confident91.8Very high47 Ų4727 Ų2722%0.2214%0.137CC..Hα-helixtrans-62.1-45175.3-68.8-179.8-80.400112.2E83 L84 C90 L91 G314E83-Q87 WeakPolarHBondContact O-CG 3.39Å; E83-Q87 PolarHBondContact O-N 3.13Å; L84-Q87 WeakPolarHBondContact O-CB 3.38Å; L84-Q87 PolarHBondContact O-N 3.21Å; L84-Q87 VanDerWaalsContact O-N 3.11Å; Q87-C90 PolarHBondContact O-N 3.01Å; Q87-L91 PolarHBondContact O-N 3.26Å; Q87-G314 PolarHBondContact OE1-O 3.3Å
88V94.6Very high91.5Very high0 Ų034.7 Ų34.70%017%0.171CC..Hα-helixtrans-59.8-47175.6172.60000110T55 F58 I77 T79 L84 C90 L91 F92 V128T55-V88 HydrophobicContact CG2-CB 4.34Å; T55-V88 HydrophobicContact CG2-CG1 4.35Å; T55-V88 HydrophobicContact CG2-CG2 3.9Å; F58-V88 HydrophobicContact CE2-CG1 4.29Å; F58-V88 HydrophobicContact CZ-CG1 4.36Å; I77-V88 HydrophobicContact CB-CG1 4.46Å; I77-V88 HydrophobicContact CG2-CG1 4.02Å; T79-V88 HydrophobicContact CG2-CG2 4.02Å; L84-V88 HydrophobicContact CD1-CG2 4.22Å; L84-V88 HydrophobicContact CG-CG2 4.31Å; L84-V88 VanDerWaalsContact O-CG2 3.26Å; L84-V88 WeakPolarHBondContact O-CG2 3.39Å; L84-V88 PolarHBondContact O-N 3.02Å; V88-C90 VanDerWaalsContact C-N 3.35Å; V88-C90 PolarHBondContact O-N 3.2Å; V88-L91 PolarHBondContact O-N 3.28Å; V88-F92 HydrophobicContact CG1-CD2 3.79Å; V88-F92 HydrophobicContact CG1-CE2 3.81Å; V88-F92 WeakPolarHBondContact O-CD2 3.39Å; V88-F92 PolarHBondContact O-N 2.81Å; V88-V128 HydrophobicContact CB-CG1 3.93Å; V88-V128 HydrophobicContact CG1-CG1 3.82Å; V88-V128 HydrophobicContact CG1-CG2 3.97Å
89K95.3Very high91.3Very high65 Ų6538 Ų3828%0.28319%0.185SC..Hα-helixtrans-56-47.8174.6168.6172.51701790111.6A85 L86 L91 F92 M93 V103 C105A85-K89 WeakPolarHBondContact O-CB 3.34Å; A85-K89 PolarHBondContact O-N 3.43Å; L86-K89 PolarHBondContact O-N 2.84Å; K89-L91 VanDerWaalsContact C-N 3.35Å; K89-L91 PolarHBondContact O-N 3.4Å; K89-F92 PolarHBondContact O-N 3.05Å; K89-M93 HydrophobicContact CG-CG 4.41Å; K89-M93 WeakPolarHBondContact O-CG 3.49Å; K89-M93 PolarHBondContact O-N 3.39Å; K89-V103 HydrophobicContact CB-CG1 4.15Å; K89-V103 HydrophobicContact CD-CG1 4.38Å; K89-V103 HydrophobicContact CG-CB 4.22Å; K89-V103 HydrophobicContact CG-CG1 3.9Å; K89-C105 HydrophobicContact CD-CB 3.71Å
90C92.8Very high91.3Very high71 Ų7139.7 Ų39.748%0.4820%0.203SC..Hα-helixtrans-57.8-47.4178.8-70.70000111.4L86 Q87 V88 F92 M93 E94L86-C90 PolarHBondContact O-N 2.87Å; L86-C90 PolarHBondContact O-SG 3.31Å; Q87-C90 PolarHBondContact O-N 3.01Å; V88-C90 VanDerWaalsContact C-N 3.35Å; V88-C90 PolarHBondContact O-N 3.2Å; C90-F92 PolarHBondContact O-N 2.8Å; C90-M93 PolarHBondContact O-N 3.11Å; C90-M93 VanDerWaalsContact O-N 3.13Å; C90-E94 WeakPolarHBondContact O-CG 3.25Å; C90-E94 PolarHBondContact O-N 3.41Å
91L94Very high91.6Very high24 Ų2439.6 Ų39.613%0.12620%0.202CC..Hα-helixtrans-62.4-41.5179.7-169.971.6000112.7W24 T55 A56 Q87 V88 K89 M93 E94 L95W24-L91 HydrophobicContact CH2-CD1 3.74Å; W24-L91 HydrophobicContact CZ2-CD1 3.79Å; T55-L91 VanDerWaalsContact CB-CD2 3.49Å; T55-L91 HydrophobicContact CG2-CB 4.37Å; T55-L91 HydrophobicContact CG2-CD2 3.34Å; T55-L91 HydrophobicContact CG2-CG 4.48Å; A56-L91 HydrophobicContact CB-CD2 4.19Å; Q87-L91 PolarHBondContact O-N 3.26Å; V88-L91 PolarHBondContact O-N 3.28Å; K89-L91 VanDerWaalsContact C-N 3.35Å; K89-L91 PolarHBondContact O-N 3.4Å; L91-M93 VanDerWaalsContact C-N 3.32Å; L91-M93 PolarHBondContact O-N 3.32Å; L91-E94 PolarHBondContact O-N 2.61Å; L91-L95 HydrophobicContact CG-CD1 4.25Å; L91-L95 WeakPolarHBondContact O-CG 3.5Å; L91-L95 PolarHBondContact O-N 3.05Å
92F97.1Very high92.2Very high0 Ų043.6 Ų43.60%022%0.218CC..Hα-helixtrans-60.4-43.1174.6-93.7-83.2000111.6F58 A59 I62 L63 I77 V88 K89 C90 L95 G96 L101 V103 V126F58-F92 HydrophobicContact CD2-CE2 4.29Å; F58-F92 HydrophobicContact CD2-CZ 4.28Å; F58-F92 AromaticContact CE2-CE2 3.81Å; F58-F92 HydrophobicContact CE2-CE2 3.81Å; F58-F92 HydrophobicContact CE2-CZ 4.25Å; A59-F92 HydrophobicContact CB-CD1 4.39Å; A59-F92 HydrophobicContact CB-CD2 4.43Å; A59-F92 HydrophobicContact CB-CE1 4.07Å; A59-F92 HydrophobicContact CB-CE2 4.14Å; A59-F92 HydrophobicContact CB-CZ 3.94Å; I62-F92 HydrophobicContact CB-CE1 4.42Å; I62-F92 HydrophobicContact CD1-CZ 4.21Å; I62-F92 HydrophobicContact CG2-CE1 4.11Å; L63-F92 HydrophobicContact CD1-CD1 4.24Å; L63-F92 HydrophobicContact CD2-CD1 3.98Å; L63-F92 HydrophobicContact CD2-CE1 4.33Å; L63-F92 HydrophobicContact CG-CD1 4.09Å; L63-F92 HydrophobicContact CG-CE1 4.21Å; I77-F92 HydrophobicContact CD1-CE2 3.58Å; I77-F92 HydrophobicContact CD1-CZ 3.63Å; I77-F92 HydrophobicContact CG1-CE2 4.07Å; I77-F92 HydrophobicContact CG1-CZ 4.26Å; V88-F92 HydrophobicContact CG1-CD2 3.79Å; V88-F92 HydrophobicContact CG1-CE2 3.81Å; V88-F92 WeakPolarHBondContact O-CD2 3.39Å; V88-F92 PolarHBondContact O-N 2.81Å; K89-F92 PolarHBondContact O-N 3.05Å; C90-F92 PolarHBondContact O-N 2.8Å; F92-L95 PolarHBondContact O-N 2.86Å; F92-G96 PolarHBondContact O-N 2.81Å; F92-L101 HydrophobicContact CB-CD2 3.92Å; F92-L101 HydrophobicContact CD1-CD2 4.18Å; F92-L101 WeakPolarHBondContact O-CD2 3.49Å; F92-V103 HydrophobicContact CB-CG2 3.96Å; F92-V126 HydrophobicContact CD1-CG1 4.31Å; F92-V126 HydrophobicContact CD1-CG2 4.08Å; F92-V126 HydrophobicContact CD2-CG1 4.48Å; F92-V126 HydrophobicContact CE1-CG1 4.21Å; F92-V126 HydrophobicContact CE1-CG2 4.06Å; F92-V126 HydrophobicContact CE2-CG1 4.35Å; F92-V126 HydrophobicContact CG-CG1 4.46Å; F92-V126 HydrophobicContact CZ-CG1 4.23Å
93M95.4Very high92.7Very high47 Ų4742.1 Ų42.123%0.23221%0.213CC..Hα-helixtrans-65.7-44.2176.5-66-59.7-57.900111.4K89 C90 L91 L95 G96 D97 V103K89-M93 HydrophobicContact CG-CG 4.41Å; K89-M93 WeakPolarHBondContact O-CG 3.49Å; K89-M93 PolarHBondContact O-N 3.39Å; C90-M93 PolarHBondContact O-N 3.11Å; C90-M93 VanDerWaalsContact O-N 3.13Å; L91-M93 VanDerWaalsContact C-N 3.32Å; L91-M93 PolarHBondContact O-N 3.32Å; M93-L95 VanDerWaalsContact C-N 3.26Å; M93-L95 PolarHBondContact O-N 3.15Å; M93-G96 PolarHBondContact O-N 3.18Å; M93-D97 HydrophobicContact CE-CB 4.02Å; M93-D97 WeakPolarHBondContact CE-OD1 3.35Å; M93-D97 WeakPolarHBondContact O-CB 3.01Å; M93-D97 PolarHBondContact O-N 2.86Å; M93-V103 HydrophobicContact CG-CG2 4.23Å; M93-V103 HydrophobicContact SD-CB 4.01Å; M93-V103 HydrophobicContact SD-CG2 3.57Å; M93-V103 VanDerWaalsContact SD-CG2 3.57Å
94E93.3Very high93.4Very high106 Ų10641.8 Ų41.850%0.49521%0.212SC..Hα-helixtrans-56.1-40.6176-75169.918000112.2V18 L22 C90 L91V18-E94 WeakPolarHBondContact CG1-O 3.33Å; L22-E94 HydrophobicContact CD1-CB 4.32Å; L22-E94 HydrophobicContact CD2-CB 4.31Å; C90-E94 WeakPolarHBondContact O-CG 3.25Å; C90-E94 PolarHBondContact O-N 3.41Å; L91-E94 PolarHBondContact O-N 2.61Å
95L94.7Very high93.8Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-80.5-26.2179.4-71.1173.3000114.1V18 I19 L22 W24 A59 I60 L63 L91 F92 M93 F99V18-L95 HydrophobicContact CG1-CD2 4.44Å; I19-L95 HydrophobicContact CG1-CD2 3.96Å; L22-L95 HydrophobicContact CD1-CD2 3.9Å; W24-L95 HydrophobicContact CH2-CD1 4.2Å; W24-L95 HydrophobicContact CH2-CD2 3.84Å; W24-L95 HydrophobicContact CH2-CG 4.22Å; W24-L95 HydrophobicContact CZ3-CD1 4.46Å; W24-L95 HydrophobicContact CZ3-CD2 3.84Å; A59-L95 HydrophobicContact CB-CD1 3.95Å; I60-L95 HydrophobicContact CG1-CD1 4.25Å; L63-L95 HydrophobicContact CD1-CB 3.37Å; L63-L95 HydrophobicContact CD1-CD1 4.16Å; L63-L95 HydrophobicContact CD1-CG 4.42Å; L91-L95 HydrophobicContact CG-CD1 4.25Å; L91-L95 WeakPolarHBondContact O-CG 3.5Å; L91-L95 PolarHBondContact O-N 3.05Å; F92-L95 PolarHBondContact O-N 2.86Å; M93-L95 VanDerWaalsContact C-N 3.26Å; M93-L95 PolarHBondContact O-N 3.15Å; L95-F99 WeakPolarHBondContact O-CE2 3.42Å
96G94.6Very high94.1Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-126-10.1-164.700000117F92 M93 K98 F99 L101F92-G96 PolarHBondContact O-N 2.81Å; M93-G96 PolarHBondContact O-N 3.18Å; G96-K98 VanDerWaalsContact C-N 3.26Å; G96-K98 PolarHBondContact O-N 3.22Å; G96-F99 WeakPolarHBondContact O-CA 3.45Å; G96-F99 PolarHBondContact O-N 2.72Å; G96-L101 VanDerWaalsContact C-CB 3.44Å; G96-L101 WeakPolarHBondContact O-CB 3.33Å; G96-L101 PolarHBondContact O-N 2.86Å; G96-L101 VanDerWaalsContact O-N 3.14Å
97D91.5Very high94.3Very high95 Ų9540.1 Ų40.151%0.50820%0.204SC..G310 helixtrans-60.5-37.5-175.7-171.658.9000111.9M93 F99 G100M93-D97 HydrophobicContact CE-CB 4.02Å; M93-D97 WeakPolarHBondContact CE-OD1 3.35Å; M93-D97 WeakPolarHBondContact O-CB 3.01Å; M93-D97 PolarHBondContact O-N 2.86Å; D97-F99 PolarHBondContact O-N 2.77Å; D97-G100 PolarHBondContact O-N 3.32Å
98K92.2Very high94.2Very high163 Ų16338.9 Ų38.971%0.70920%0.203SC*.G310 helixtrans-57.4-22.7174.4-165.8179.6179.2-174.60113.3V18 G96V18-K98 HydrophobicContact CG2-CD 4.34Å; G96-K98 VanDerWaalsContact C-N 3.26Å; G96-K98 PolarHBondContact O-N 3.22Å
99F91.9Very high93.5Very high69 Ų6941.6 Ų41.630%0.30323%0.232SC..G310 helixtrans-102.612.6178.7-44.3-56.1000112.9E14 I15 V18 L67 L95 G96 D97E14-F99 HydrophobicContact CB-CE1 3.75Å; E14-F99 HydrophobicContact CB-CZ 3.67Å; E14-F99 HydrophobicContact CG-CE1 4.47Å; E14-F99 WeakPolarHBondContact O-CZ 3.34Å; I15-F99 HydrophobicContact CG1-CE2 4.34Å; V18-F99 HydrophobicContact CG2-CE2 4.09Å; V18-F99 HydrophobicContact CG2-CZ 3.81Å; L67-F99 HydrophobicContact CD1-CD2 4.15Å; L67-F99 HydrophobicContact CD1-CE2 4.2Å; L67-F99 HydrophobicContact CD2-CB 3.66Å; L67-F99 HydrophobicContact CD2-CD1 4.1Å; L67-F99 HydrophobicContact CD2-CD2 3.94Å; L67-F99 HydrophobicContact CD2-CG 3.62Å; L67-F99 HydrophobicContact CG-CD2 4.45Å; L95-F99 WeakPolarHBondContact O-CE2 3.42Å; G96-F99 WeakPolarHBondContact O-CA 3.45Å; G96-F99 PolarHBondContact O-N 2.72Å; D97-F99 PolarHBondContact O-N 2.77Å
100G93.4Very high92.8Very high35 Ų3542 Ų4236%0.36123%0.234SC..THydrogen-bonded Turntrans75.222-178.900000113.9D97 K102 H125D97-G100 PolarHBondContact O-N 3.32Å; G100-K102 PolarHBondContact O-N 2.92Å; G100-H125 PolarHBondContact O-CE1 2.64Å
101L96.2Very high92.6Very high6 Ų644.9 Ų44.93%0.03124%0.241CC..  trans-57.3131178.5-17377000111.3L63 L66 F92 G96 V103 H125 V126L63-L101 HydrophobicContact CD2-CD1 3.63Å; L63-L101 HydrophobicContact CD2-CD2 3.76Å; L63-L101 HydrophobicContact CD2-CG 4.29Å; L66-L101 HydrophobicContact CD2-CD1 3.45Å; L66-L101 VanDerWaalsContact CD2-CD1 3.45Å; F92-L101 HydrophobicContact CB-CD2 3.92Å; F92-L101 HydrophobicContact CD1-CD2 4.18Å; F92-L101 WeakPolarHBondContact O-CD2 3.49Å; G96-L101 VanDerWaalsContact C-CB 3.44Å; G96-L101 WeakPolarHBondContact O-CB 3.33Å; G96-L101 PolarHBondContact O-N 2.86Å; G96-L101 VanDerWaalsContact O-N 3.14Å; L101-V103 HydrophobicContact CD2-CG2 3.54Å; L101-V103 HydrophobicContact CG-CG2 3.85Å; L101-H125 HydrophobicContact CD1-CB 3.96Å; L101-V126 HydrophobicContact CD1-CG2 4.08Å
102K96Very high92.5Very high96 Ų9645.1 Ų45.142%0.41724%0.243SC..  trans-114.8123.7172.2-60.3-55.4176.2-164.90109.6G100 F124 H125 V126G100-K102 PolarHBondContact O-N 2.92Å; K102-F124 HydrophobicContact CB-CB 4.43Å; K102-H125 PolarHBondContact N-ND1 3.04Å; K102-H125 VanDerWaalsContact N-ND1 3.16Å; K102-H125 PolarHBondContact O-N 3.05Å; K102-V126 PolarHBondContact O-N 3.46Å
103V96.7Very high92.2Very high8 Ų851 Ų515%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-122.2122.4-178.3-172.60000110K89 F92 M93 L101 V126 V128K89-V103 HydrophobicContact CB-CG1 4.15Å; K89-V103 HydrophobicContact CD-CG1 4.38Å; K89-V103 HydrophobicContact CG-CB 4.22Å; K89-V103 HydrophobicContact CG-CG1 3.9Å; F92-V103 HydrophobicContact CB-CG2 3.96Å; M93-V103 HydrophobicContact CG-CG2 4.23Å; M93-V103 HydrophobicContact SD-CB 4.01Å; M93-V103 HydrophobicContact SD-CG2 3.57Å; M93-V103 VanDerWaalsContact SD-CG2 3.57Å; L101-V103 HydrophobicContact CD2-CG2 3.54Å; L101-V103 HydrophobicContact CG-CG2 3.85Å; V103-V126 WeakPolarHBondContact CA-O 3.39Å; V103-V126 HydrophobicContact CG1-CB 4.16Å; V103-V126 HydrophobicContact CG1-CG1 4.19Å; V103-V126 HydrophobicContact CG2-CB 4.14Å; V103-V128 HydrophobicContact CG1-CG2 3.75Å
104V96.4Very high92.1Very high2 Ų252 Ų521%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-95.5139.4171.969.20000109.8L106 D118 L119 F124 V126 I127 V128V104-L106 HydrophobicContact CG2-CD2 3.86Å; V104-L106 HydrophobicContact CG2-CG 4.45Å; V104-D118 HydrophobicContact CG2-CB 4.36Å; V104-L119 HydrophobicContact CG1-CD2 4.26Å; V104-L119 HydrophobicContact CG2-CD2 4.14Å; V104-L119 HydrophobicContact CG2-CG 4.46Å; V104-F124 HydrophobicContact CB-CB 4.27Å; V104-F124 HydrophobicContact CB-CD1 4.28Å; V104-F124 HydrophobicContact CB-CG 4.13Å; V104-F124 HydrophobicContact CG1-CB 4.25Å; V104-F124 HydrophobicContact CG1-CD1 4.04Å; V104-F124 HydrophobicContact CG1-CD2 3.74Å; V104-F124 HydrophobicContact CG1-CE1 4.39Å; V104-F124 HydrophobicContact CG1-CE2 4.08Å; V104-F124 HydrophobicContact CG1-CG 3.72Å; V104-F124 HydrophobicContact CG1-CZ 4.41Å; V104-V126 PolarHBondContact N-O 2.96Å; V104-I127 HydrophobicContact CG1-CB 4.14Å; V104-I127 HydrophobicContact CG1-CG1 3.87Å; V104-I127 HydrophobicContact CG1-CG2 4.12Å; V104-V128 PolarHBondContact O-N 2.93Å
105C95.9Very high92.1Very high9 Ų947.2 Ų47.26%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-116.8116.2178.3-171.70000110.4K89 V128K89-C105 HydrophobicContact CD-CB 3.71Å; C105-V128 CarbonylContact C-O 3.31Å; C105-V128 VanDerWaalsContact CA-O 3.22Å; C105-V128 WeakPolarHBondContact CA-O 3.38Å
106L96.8Very high92.1Very high0 Ų048.7 Ų48.70%026%0.264CS..EExtended strand (participates in β ladder)trans-11093.2-175.3-57.1-176.5000109.8V104 Q115 L119 I127 V128 G129 T130 R133 V134 H137 L144V104-L106 HydrophobicContact CG2-CD2 3.86Å; V104-L106 HydrophobicContact CG2-CG 4.45Å; L106-Q115 HydrophobicContact CD2-CB 4.14Å; L106-Q115 HydrophobicContact CD2-CG 4.33Å; L106-L119 HydrophobicContact CD1-CD2 4.47Å; L106-L119 HydrophobicContact CD2-CD1 4.06Å; L106-L119 HydrophobicContact CD2-CD2 4.32Å; L106-L119 HydrophobicContact CD2-CG 4.24Å; L106-I127 HydrophobicContact CD1-CG2 3.87Å; L106-I127 HydrophobicContact CG-CG2 4.27Å; L106-V128 PolarHBondContact N-O 3.43Å; L106-G129 CarbonylContact O-C 3.56Å; L106-G129 WeakPolarHBondContact O-CA 3.41Å; L106-T130 PolarHBondContact O-N 3.29Å; L106-R133 HydrophobicContact CB-CG 4.16Å; L106-V134 HydrophobicContact CB-CG2 4.19Å; L106-V134 HydrophobicContact CD1-CG2 4.4Å; L106-H137 HydrophobicContact CD1-CB 4.37Å; L106-L144 HydrophobicContact CD1-CD1 4.24Å; L106-L144 HydrophobicContact CD1-CD2 3.75Å
107V93.5Very high92.1Very high0 Ų055.3 Ų55.30%029%0.289CS..  trans-128.9149.6-176.7-65.60000111.8R82 A85 Q110 Q115 T130 R133R82-V107 HydrophobicContact CB-CB 4.06Å; R82-V107 HydrophobicContact CB-CG1 4.21Å; R82-V107 HydrophobicContact CB-CG2 4.46Å; R82-V107 HydrophobicContact CG-CB 3.99Å; R82-V107 HydrophobicContact CG-CG1 4.49Å; A85-V107 HydrophobicContact CB-CG1 3.54Å; V107-Q110 HydrophobicContact CG2-CG 4.3Å; V107-Q115 PolarHBondContact O-NE2 2.66Å; V107-T130 HydrophobicContact CG1-CG2 4.25Å; V107-R133 PolarHBondContact O-NH1 3.07Å
108G86.4Confident92.2Very high20 Ų2053.1 Ų53.121%0.20628%0.277CS..THydrogen-bonded Turntrans-54.8167.2171.800000111.8R82 Q110R82-G108 WeakPolarHBondContact CD-O 3.43Å; R82-G108 PolarHBondContact NE-O 3.41Å; R82-G108 PolarHBondContact NH1-O 3.46Å; R82-G108 PolarHBondContact NH2-O 3.33Å; G108-Q110 PolarHBondContact O-N 3.3Å
109G79.8Confident92.3Very high58 Ų5845.7 Ų45.760%0.59825%0.245SC*.THydrogen-bonded Turntrans55.212.9171.400000118.5R82R82-G109 VanDerWaalsContact NH1-CA 3.34Å; R82-G109 PolarHBondContact NH1-O 2.91Å; R82-G109 PolarHBondContact NH2-O 3.14Å
110Q81.2Confident92.4Very high72 Ų7248.7 Ų48.734%0.33626%0.258SS..SBendtrans-101.3156154.8-83.61736.100107.6R82 V107 G108 V112 R133R82-Q110 VanDerWaalsContact NH2-N 3.19Å; V107-Q110 HydrophobicContact CG2-CG 4.3Å; G108-Q110 PolarHBondContact O-N 3.3Å; Q110-V112 PolarHBondContact O-N 3.05Å; Q110-R133 PolarHBondContact O-NH1 3.27Å
111H87.3Confident92.4Very high133 Ų13355.3 Ų55.362%0.61627%0.272SS*.  trans-55.8128.6176.6-70.4-72.4000110E113 D114 Q115H111-E113 PolarHBondContact O-N 3.07Å; H111-D114 HydrophobicContact CB-CB 4.4Å; H111-D114 WeakPolarHBondContact CB-OD2 3.28Å; H111-Q115 PolarHBondContact O-N 3.47Å
112V91.5Very high92Very high28 Ų2857.4 Ų57.417%0.1728%0.283CS..Hα-helixtrans-66.9-37.4-178.4172.90000109.2Q110 D114 Q115 V116 R133 Y136Q110-V112 PolarHBondContact O-N 3.05Å; V112-D114 VanDerWaalsContact C-N 3.29Å; V112-D114 PolarHBondContact O-N 2.93Å; V112-Q115 WeakPolarHBondContact O-CB 3.29Å; V112-Q115 PolarHBondContact O-N 3.45Å; V112-Q115 VanDerWaalsContact O-N 3.11Å; V112-V116 HydrophobicContact CG1-CG2 4.12Å; V112-V116 WeakPolarHBondContact O-CG2 3.3Å; V112-V116 PolarHBondContact O-N 2.93Å; V112-R133 VanDerWaalsContact CG2-NH1 3.33Å; V112-Y136 HydrophobicContact CG1-CD1 4.41Å; V112-Y136 HydrophobicContact CG1-CE1 3.41Å; V112-Y136 VanDerWaalsContact CG1-CE1 3.41Å; V112-Y136 HydrophobicContact CG2-CE1 4.3Å
113E92Very high91.8Very high123 Ų12360.1 Ų60.158%0.57529%0.294SS*.Hα-helixtrans-61.4-37.6-177-60.672.6-157.700111.7H111 R117H111-E113 PolarHBondContact O-N 3.07Å; E113-R117 WeakPolarHBondContact O-CB 3.43Å; E113-R117 PolarHBondContact O-N 3.34Å
114D92.3Very high91.7Very high69 Ų6960 Ų6037%0.36929%0.293SS..Hα-helixtrans-69.7-40.8175.8-66.2-29.3000111.2H111 V112 R117 D118H111-D114 HydrophobicContact CB-CB 4.4Å; H111-D114 WeakPolarHBondContact CB-OD2 3.28Å; V112-D114 VanDerWaalsContact C-N 3.29Å; V112-D114 PolarHBondContact O-N 2.93Å; D114-R117 WeakPolarHBondContact O-CB 3.21Å; D114-R117 PolarHBondContact O-N 3.4Å; D114-R117 IonicContact OD1-CZ 3.17Å; D114-R117 IonicContact OD1-NH1 3.71Å; D114-R117 IonicContact OD1-NH2 2.71Å; D114-R117 PolarHBondContact OD1-NH2 2.72Å; D114-D118 PolarHBondContact O-N 3.28Å
115Q94.2Very high91.8Very high5 Ų561.3 Ų61.32%0.02330%0.299CS..Hα-helixtrans-64.8-40.3174.6-68.9175.948.300111.9L106 V107 H111 V112 R117 D118 L119 R133 H137L106-Q115 HydrophobicContact CD2-CB 4.14Å; L106-Q115 HydrophobicContact CD2-CG 4.33Å; V107-Q115 PolarHBondContact O-NE2 2.66Å; H111-Q115 PolarHBondContact O-N 3.47Å; V112-Q115 WeakPolarHBondContact O-CB 3.29Å; V112-Q115 PolarHBondContact O-N 3.45Å; V112-Q115 VanDerWaalsContact O-N 3.11Å; Q115-R117 VanDerWaalsContact C-N 3.35Å; Q115-D118 PolarHBondContact O-N 3.27Å; Q115-L119 WeakPolarHBondContact O-CB 3.21Å; Q115-L119 VanDerWaalsContact O-CG 3.27Å; Q115-L119 WeakPolarHBondContact O-CG 3.4Å; Q115-L119 PolarHBondContact O-N 3.35Å; Q115-R133 VanDerWaalsContact NE2-NH1 3.13Å; Q115-R133 VanDerWaalsContact OE1-CG 3.25Å; Q115-H137 WeakPolarHBondContact CB-NE2 3.29Å; Q115-H137 PolarHBondContact OE1-NE2 2.99Å; Q115-H137 VanDerWaalsContact OE1-NE2 3.08Å
116V94.4Very high91.8Very high32 Ų3260.9 Ų60.919%0.19430%0.296CS..Hα-helixtrans-62.3-42.9173.5172.80000110.8V112 L119 K120 T141V112-V116 HydrophobicContact CG1-CG2 4.12Å; V112-V116 WeakPolarHBondContact O-CG2 3.3Å; V112-V116 PolarHBondContact O-N 2.93Å; V116-L119 PolarHBondContact O-N 3.44Å; V116-K120 HydrophobicContact CG1-CD 4.07Å; V116-K120 WeakPolarHBondContact O-CB 3.11Å; V116-K120 WeakPolarHBondContact O-CG 3.29Å; V116-K120 PolarHBondContact O-N 3.16Å; V116-T141 HydrophobicContact CG1-CG2 4.47Å; V116-T141 HydrophobicContact CG2-CG2 4.44Å
117R94.2Very high91.9Very high139 Ų13960.9 Ų60.953%0.52530%0.296SS..Hα-helixtrans-61.7-44.1176.8-169.9-172-49.315821.3111.7E113 D114 Q115 K120 R121E113-R117 WeakPolarHBondContact O-CB 3.43Å; E113-R117 PolarHBondContact O-N 3.34Å; D114-R117 WeakPolarHBondContact O-CB 3.21Å; D114-R117 PolarHBondContact O-N 3.4Å; D114-R117 IonicContact OD1-CZ 3.17Å; D114-R117 IonicContact OD1-NH1 3.71Å; D114-R117 IonicContact OD1-NH2 2.71Å; D114-R117 PolarHBondContact OD1-NH2 2.72Å; Q115-R117 VanDerWaalsContact C-N 3.35Å; R117-K120 PolarHBondContact O-N 3.14Å; R117-R121 VanDerWaalsContact O-CB 3.3Å; R117-R121 WeakPolarHBondContact O-CB 3.3Å; R117-R121 PolarHBondContact O-N 2.95Å
118D93.3Very high92.1Very high49 Ų4960.9 Ų60.926%0.26230%0.296SS..Hα-helixtrans-64.9-43.3177.5-82.3-8.8000111.7V104 D114 Q115 K120 R121 L122V104-D118 HydrophobicContact CG2-CB 4.36Å; D114-D118 PolarHBondContact O-N 3.28Å; Q115-D118 PolarHBondContact O-N 3.27Å; D118-K120 VanDerWaalsContact C-N 3.27Å; D118-K120 PolarHBondContact O-N 3.3Å; D118-R121 PolarHBondContact O-N 2.8Å; D118-R121 IonicContact OD1-NH2 3.63Å; D118-L122 HydrophobicContact CB-CD1 3.82Å; D118-L122 HydrophobicContact CB-CG 4.41Å; D118-L122 WeakPolarHBondContact O-CA 3.42Å; D118-L122 WeakPolarHBondContact O-CB 3.3Å; D118-L122 WeakPolarHBondContact O-CG 3.35Å; D118-L122 PolarHBondContact O-N 3.19Å
119L95.3Very high92.6Very high6 Ų659.9 Ų59.93%0.03129%0.287CS..Hα-helixtrans-61.6-33.7175-72.8170.3000112.9V104 L106 Q115 V116 F124 H137 T141 E143 L144V104-L119 HydrophobicContact CG1-CD2 4.26Å; V104-L119 HydrophobicContact CG2-CD2 4.14Å; V104-L119 HydrophobicContact CG2-CG 4.46Å; L106-L119 HydrophobicContact CD1-CD2 4.47Å; L106-L119 HydrophobicContact CD2-CD1 4.06Å; L106-L119 HydrophobicContact CD2-CD2 4.32Å; L106-L119 HydrophobicContact CD2-CG 4.24Å; Q115-L119 WeakPolarHBondContact O-CB 3.21Å; Q115-L119 VanDerWaalsContact O-CG 3.27Å; Q115-L119 WeakPolarHBondContact O-CG 3.4Å; Q115-L119 PolarHBondContact O-N 3.35Å; V116-L119 PolarHBondContact O-N 3.44Å; L119-F124 HydrophobicContact CD2-CD1 4.36Å; L119-F124 HydrophobicContact CD2-CE1 3.53Å; L119-F124 HydrophobicContact CD2-CZ 3.76Å; L119-H137 HydrophobicContact CD1-CB 4.09Å; L119-T141 HydrophobicContact CB-CG2 4.2Å; L119-T141 HydrophobicContact CD1-CG2 3.71Å; L119-E143 HydrophobicContact CB-CB 4.39Å; L119-L144 HydrophobicContact CD1-CB 4.38Å; L119-L144 HydrophobicContact CD2-CB 4.42Å; L119-L144 HydrophobicContact CD2-CD1 4.08Å
120K93.9Very high93.3Very high132 Ų13257.7 Ų57.757%0.57426%0.262SS*.Hα-helixtrans-75.6-40.8177-76.7177178.7-175.60113.6V116 R117 D118 E143V116-K120 HydrophobicContact CG1-CD 4.07Å; V116-K120 WeakPolarHBondContact O-CB 3.11Å; V116-K120 WeakPolarHBondContact O-CG 3.29Å; V116-K120 PolarHBondContact O-N 3.16Å; R117-K120 PolarHBondContact O-N 3.14Å; D118-K120 VanDerWaalsContact C-N 3.27Å; D118-K120 PolarHBondContact O-N 3.3Å; K120-E143 VanDerWaalsContact CE-OE1 3.25Å; K120-E143 WeakPolarHBondContact CE-OE1 3.36Å; K120-E143 HydrophobicContact CG-CG 3.89Å; K120-E143 WeakPolarHBondContact CG-OE1 3.29Å
121R92.3Very high94Very high174 Ų17454.3 Ų54.366%0.65725%0.246SC*.Hα-helixtrans-92.4-38-170.6-175.6178.360.7166.9-1.3112.8R117 D118R117-R121 VanDerWaalsContact O-CB 3.3Å; R117-R121 WeakPolarHBondContact O-CB 3.3Å; R117-R121 PolarHBondContact O-N 2.95Å; D118-R121 PolarHBondContact O-N 2.8Å; D118-R121 IonicContact OD1-NH2 3.63Å
122L88.4Confident94.3Very high50 Ų5049.5 Ų49.526%0.26223%0.232SC..  trans-86123.9-173.9-59175.4000109.9D118 F124D118-L122 HydrophobicContact CB-CD1 3.82Å; D118-L122 HydrophobicContact CB-CG 4.41Å; D118-L122 WeakPolarHBondContact O-CA 3.42Å; D118-L122 WeakPolarHBondContact O-CB 3.3Å; D118-L122 WeakPolarHBondContact O-CG 3.35Å; D118-L122 PolarHBondContact O-N 3.19Å; L122-F124 VanDerWaalsContact O-CD1 3.23Å; L122-F124 WeakPolarHBondContact O-CD1 3.08Å; L122-F124 PolarHBondContact O-N 2.9Å
123K91.9Very high94.5Very high153 Ų15350 Ų5067%0.66523%0.231SC*.  trans-78.879.9161.4-65.9-178177.9178.70108.2
124F95.4Very high94.7Very high5 Ų544.1 Ų44.12%0.02220%0.203CC..  trans-80.4148.5-173.956.9-92.8000112.4H72 N73 K102 V104 L119 L122 I127 L144H72-F124 CarbonylContact C-O 3.59Å; H72-F124 VanDerWaalsContact CA-O 3.3Å; H72-F124 WeakPolarHBondContact CA-O 3.49Å; H72-F124 WeakPolarHBondContact CB-O 3.28Å; N73-F124 PolarHBondContact N-O 3.23Å; N73-F124 WeakPolarHBondContact OD1-CD2 3.13Å; N73-F124 WeakPolarHBondContact OD1-CE2 3.16Å; N73-F124 VanDerWaalsContact OD1-CZ 3.23Å; N73-F124 WeakPolarHBondContact OD1-CZ 3.5Å; K102-F124 HydrophobicContact CB-CB 4.43Å; V104-F124 HydrophobicContact CB-CB 4.27Å; V104-F124 HydrophobicContact CB-CD1 4.28Å; V104-F124 HydrophobicContact CB-CG 4.13Å; V104-F124 HydrophobicContact CG1-CB 4.25Å; V104-F124 HydrophobicContact CG1-CD1 4.04Å; V104-F124 HydrophobicContact CG1-CD2 3.74Å; V104-F124 HydrophobicContact CG1-CE1 4.39Å; V104-F124 HydrophobicContact CG1-CE2 4.08Å; V104-F124 HydrophobicContact CG1-CG 3.72Å; V104-F124 HydrophobicContact CG1-CZ 4.41Å; L119-F124 HydrophobicContact CD2-CD1 4.36Å; L119-F124 HydrophobicContact CD2-CE1 3.53Å; L119-F124 HydrophobicContact CD2-CZ 3.76Å; L122-F124 VanDerWaalsContact O-CD1 3.23Å; L122-F124 WeakPolarHBondContact O-CD1 3.08Å; L122-F124 PolarHBondContact O-N 2.9Å; F124-I127 HydrophobicContact CD2-CD1 4.48Å; F124-I127 HydrophobicContact CD2-CG1 3.69Å; F124-I127 HydrophobicContact CE2-CD1 3.72Å; F124-I127 HydrophobicContact CE2-CG1 3.33Å; F124-I127 HydrophobicContact CZ-CG1 4.31Å; F124-L144 HydrophobicContact CZ-CD1 4.27Å
125H97Very high94.9Very high30 Ų3041.5 Ų41.514%0.13919%0.19CC..SBendtrans-96.6-36.3174.4-49.2123000111.3L66 R71 H72 F74 A75 G100 L101 K102L66-H125 HydrophobicContact CD1-CB 4.25Å; L66-H125 HydrophobicContact CD2-CB 3.6Å; R71-H125 PolarHBondContact O-CD2 3.39Å; H72-H125 AromaticContact CD2-CD2 3.74Å; H72-H125 AromaticContact CD2-NE2 3.78Å; F74-H125 WeakPolarHBondContact CA-O 3.43Å; F74-H125 VanDerWaalsContact CB-O 3.3Å; F74-H125 WeakPolarHBondContact CB-O 3.41Å; F74-H125 PolarHBondContact N-O 3.17Å; A75-H125 PolarHBondContact N-O 3.05Å; G100-H125 PolarHBondContact O-CE1 2.64Å; L101-H125 HydrophobicContact CD1-CB 3.96Å; K102-H125 PolarHBondContact N-ND1 3.04Å; K102-H125 VanDerWaalsContact N-ND1 3.16Å; K102-H125 PolarHBondContact O-N 3.05Å
126V97.8Very high95Very high0 Ų045.6 Ų45.60%021%0.206CC..EExtended strand (participates in β ladder)trans-125.4134-173.5-178.90000110.2A75 I77 F92 L101 K102 V103 V104 V128A75-V126 HydrophobicContact CB-CG1 4.36Å; A75-V126 HydrophobicContact CB-CG2 4.31Å; I77-V126 HydrophobicContact CD1-CG1 3.22Å; F92-V126 HydrophobicContact CD1-CG1 4.31Å; F92-V126 HydrophobicContact CD1-CG2 4.08Å; F92-V126 HydrophobicContact CD2-CG1 4.48Å; F92-V126 HydrophobicContact CE1-CG1 4.21Å; F92-V126 HydrophobicContact CE1-CG2 4.06Å; F92-V126 HydrophobicContact CE2-CG1 4.35Å; F92-V126 HydrophobicContact CG-CG1 4.46Å; F92-V126 HydrophobicContact CZ-CG1 4.23Å; L101-V126 HydrophobicContact CD1-CG2 4.08Å; K102-V126 PolarHBondContact O-N 3.46Å; V103-V126 WeakPolarHBondContact CA-O 3.39Å; V103-V126 HydrophobicContact CG1-CB 4.16Å; V103-V126 HydrophobicContact CG1-CG1 4.19Å; V103-V126 HydrophobicContact CG2-CB 4.14Å; V104-V126 PolarHBondContact N-O 2.96Å; V126-V128 HydrophobicContact CG1-CG2 4.05Å
127I98Very high95.2Very high0 Ų044.1 Ų44.10%020%0.197CC..EExtended strand (participates in β ladder)trans-106.7125.6171.6-54.7152.1000107.5A75 L76 I77 V104 L106 F124 L144 L146A75-I127 PolarHBondContact O-N 3.09Å; L76-I127 CarbonylContact C-O 3.55Å; L76-I127 WeakPolarHBondContact CA-O 3.36Å; L76-I127 HydrophobicContact CD1-CB 3.81Å; L76-I127 HydrophobicContact CD1-CD1 4.48Å; L76-I127 HydrophobicContact CD1-CG2 3.61Å; I77-I127 PolarHBondContact N-O 3.27Å; V104-I127 HydrophobicContact CG1-CB 4.14Å; V104-I127 HydrophobicContact CG1-CG1 3.87Å; V104-I127 HydrophobicContact CG1-CG2 4.12Å; L106-I127 HydrophobicContact CD1-CG2 3.87Å; L106-I127 HydrophobicContact CG-CG2 4.27Å; F124-I127 HydrophobicContact CD2-CD1 4.48Å; F124-I127 HydrophobicContact CD2-CG1 3.69Å; F124-I127 HydrophobicContact CE2-CD1 3.72Å; F124-I127 HydrophobicContact CE2-CG1 3.33Å; F124-I127 HydrophobicContact CZ-CG1 4.31Å; I127-L144 HydrophobicContact CD1-CD1 3.73Å; I127-L144 HydrophobicContact CG1-CD1 4.29Å; I127-L146 HydrophobicContact CD1-CD2 3.6Å
128V97.9Very high95.3Very high0 Ų039 Ų390%018%0.18CC..EExtended strand (participates in β ladder)trans-118136.8170.1-170.90000108.2I77 A85 V88 V103 V104 C105 L106 V126I77-V128 HydrophobicContact CB-CG1 4.46Å; I77-V128 HydrophobicContact CB-CG2 4.45Å; I77-V128 HydrophobicContact CD1-CG2 4.18Å; I77-V128 CarbonylContact O-C 3.53Å; I77-V128 WeakPolarHBondContact O-CA 3.27Å; A85-V128 HydrophobicContact CB-CG1 3.94Å; A85-V128 WeakPolarHBondContact O-CG1 3.34Å; V88-V128 HydrophobicContact CB-CG1 3.93Å; V88-V128 HydrophobicContact CG1-CG1 3.82Å; V88-V128 HydrophobicContact CG1-CG2 3.97Å; V103-V128 HydrophobicContact CG1-CG2 3.75Å; V104-V128 PolarHBondContact O-N 2.93Å; C105-V128 CarbonylContact C-O 3.31Å; C105-V128 VanDerWaalsContact CA-O 3.22Å; C105-V128 WeakPolarHBondContact CA-O 3.38Å; L106-V128 PolarHBondContact N-O 3.43Å; V126-V128 HydrophobicContact CG1-CG2 4.05Å
129G96.7Very high95.4Very high0 Ų042.5 Ų42.50%019%0.194CC..EExtended strand (participates in β ladder)trans-171.8176.4178.900000116I77 L78 T79 L106I77-G129 PolarHBondContact O-N 2.77Å; L78-G129 WeakPolarHBondContact CA-O 3.45Å; T79-G129 PolarHBondContact N-O 3.17Å; T79-G129 PolarHBondContact OG1-O 3.24Å; L106-G129 CarbonylContact O-C 3.56Å; L106-G129 WeakPolarHBondContact O-CA 3.41Å
130T94.6Very high95.4Very high12 Ų1246.9 Ų46.97%0.07422%0.218CC..  trans-93.8142.2168.860.90000110T79 R82 L106 V107 G132 R133 V134T79-T130 WeakPolarHBondContact O-CA 3.35Å; R82-T130 HydrophobicContact CG-CG2 4.37Å; L106-T130 PolarHBondContact O-N 3.29Å; V107-T130 HydrophobicContact CG1-CG2 4.25Å; T130-G132 VanDerWaalsContact C-N 3.32Å; T130-G132 PolarHBondContact O-N 2.99Å; T130-R133 PolarHBondContact O-N 3.41Å; T130-V134 WeakPolarHBondContact O-CG2 3.48Å; T130-V134 PolarHBondContact O-N 3.48Å; T130-V134 VanDerWaalsContact O-N 3.08Å
131P95Very high95.4Very high0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-49.8-48.6-173.3-30.134.7000113.6L78 T79 R133 V134 V135 M160 F165 Q168 L169 I172L78-P131 HydrophobicContact CD1-CG 4.48Å; T79-P131 WeakPolarHBondContact O-CD 3.31Å; P131-R133 VanDerWaalsContact C-N 3.35Å; P131-R133 PolarHBondContact O-N 3.36Å; P131-V134 PolarHBondContact O-N 2.67Å; P131-V135 WeakPolarHBondContact O-CG2 3.33Å; P131-V135 PolarHBondContact O-N 3.41Å; P131-M160 HydrophobicContact CG-SD 4.08Å; P131-F165 HydrophobicContact CB-CB 3.9Å; P131-F165 HydrophobicContact CB-CD1 4.17Å; P131-F165 HydrophobicContact CB-CG 3.97Å; P131-F165 HydrophobicContact CG-CB 3.94Å; P131-F165 HydrophobicContact CG-CD1 4.49Å; P131-F165 HydrophobicContact CG-CD2 4Å; P131-F165 HydrophobicContact CG-CG 3.91Å; P131-Q168 HydrophobicContact CB-CB 3.88Å; P131-L169 HydrophobicContact CB-CD2 4.32Å; P131-L169 HydrophobicContact CG-CD2 3.98Å; P131-L169 HydrophobicContact CG-CG 4.43Å; P131-I172 HydrophobicContact CB-CD1 4.26Å
132G94.2Very high95.5Very high32 Ų3241.4 Ų41.433%0.3320%0.199SC..Hα-helixtrans-59.1-38-179.400000114.8T130 Y136T130-G132 VanDerWaalsContact C-N 3.32Å; T130-G132 PolarHBondContact O-N 2.99Å; G132-Y136 PolarHBondContact O-N 3.4Å; G132-Y136 VanDerWaalsContact O-N 3.14Å
133R95.3Very high95.7Very high38 Ų3842.6 Ų42.614%0.14320%0.204CC..Hα-helixtrans-79.3-33.4178.8-177.356.760.8111.2-8.6112L106 V107 Q110 V112 Q115 T130 P131 Y136 H137L106-R133 HydrophobicContact CB-CG 4.16Å; V107-R133 PolarHBondContact O-NH1 3.07Å; Q110-R133 PolarHBondContact O-NH1 3.27Å; V112-R133 VanDerWaalsContact CG2-NH1 3.33Å; Q115-R133 VanDerWaalsContact NE2-NH1 3.13Å; Q115-R133 VanDerWaalsContact OE1-CG 3.25Å; T130-R133 PolarHBondContact O-N 3.41Å; P131-R133 VanDerWaalsContact C-N 3.35Å; P131-R133 PolarHBondContact O-N 3.36Å; R133-Y136 WeakPolarHBondContact O-CB 3.2Å; R133-Y136 PolarHBondContact O-N 3.35Å; R133-H137 PolarHBondContact O-CD2 3.17Å; R133-H137 PolarHBondContact O-N 2.95Å; R133-H137 VanDerWaalsContact O-N 3.09Å
134V97.2Very high95.9Very high0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-62.9-45.7173.31760000110.4L76 L78 L106 T130 P131 Y136 H137 L138 L144 I172L76-V134 HydrophobicContact CD1-CG1 4.46Å; L78-V134 HydrophobicContact CD2-CB 4.38Å; L78-V134 HydrophobicContact CD2-CG2 3.86Å; L106-V134 HydrophobicContact CB-CG2 4.19Å; L106-V134 HydrophobicContact CD1-CG2 4.4Å; T130-V134 WeakPolarHBondContact O-CG2 3.48Å; T130-V134 PolarHBondContact O-N 3.48Å; T130-V134 VanDerWaalsContact O-N 3.08Å; P131-V134 PolarHBondContact O-N 2.67Å; V134-Y136 PolarHBondContact O-N 3.44Å; V134-H137 PolarHBondContact O-N 3.02Å; V134-L138 HydrophobicContact CG1-CD1 4.17Å; V134-L138 HydrophobicContact CG1-CG 4.47Å; V134-L138 WeakPolarHBondContact O-CG 3.41Å; V134-L138 PolarHBondContact O-N 3.09Å; V134-L144 HydrophobicContact CG1-CD2 4.48Å; V134-I172 HydrophobicContact CB-CD1 4.05Å; V134-I172 HydrophobicContact CG1-CD1 3.91Å; V134-I172 HydrophobicContact CG1-CG1 4.15Å
135V96.9Very high95.8Very high15 Ų1542.7 Ų42.79%0.09120%0.2CC..Hα-helixtrans-58.3-47.7174.3173.30000111.4P131 H137 L138 E139 Q168 F171 I172P131-V135 WeakPolarHBondContact O-CG2 3.33Å; P131-V135 PolarHBondContact O-N 3.41Å; V135-H137 VanDerWaalsContact C-N 3.29Å; V135-H137 PolarHBondContact O-N 3.19Å; V135-L138 WeakPolarHBondContact O-CB 3.49Å; V135-L138 PolarHBondContact O-N 2.96Å; V135-E139 HydrophobicContact CG1-CG 4.38Å; V135-E139 WeakPolarHBondContact O-CG 2.79Å; V135-E139 PolarHBondContact O-N 3.22Å; V135-Q168 HydrophobicContact CB-CG 4.46Å; V135-Q168 HydrophobicContact CG2-CB 3.6Å; V135-Q168 HydrophobicContact CG2-CG 3.97Å; V135-F171 HydrophobicContact CB-CD1 4.35Å; V135-F171 HydrophobicContact CG1-CD1 3.8Å; V135-F171 HydrophobicContact CG1-CE1 4.07Å; V135-F171 HydrophobicContact CG2-CD1 3.94Å; V135-I172 HydrophobicContact CG2-CD1 3.93Å; V135-I172 HydrophobicContact CG2-CG1 3.77Å
136Y96.5Very high95.7Very high91 Ų9141.4 Ų41.436%0.35719%0.194SC..Hα-helixtrans-52.7-47176.5175-87.7000112.1V112 G132 R133 V134 E139 N140V112-Y136 HydrophobicContact CG1-CD1 4.41Å; V112-Y136 HydrophobicContact CG1-CE1 3.41Å; V112-Y136 VanDerWaalsContact CG1-CE1 3.41Å; V112-Y136 HydrophobicContact CG2-CE1 4.3Å; G132-Y136 PolarHBondContact O-N 3.4Å; G132-Y136 VanDerWaalsContact O-N 3.14Å; R133-Y136 WeakPolarHBondContact O-CB 3.2Å; R133-Y136 PolarHBondContact O-N 3.35Å; V134-Y136 PolarHBondContact O-N 3.44Å; Y136-E139 PolarHBondContact O-N 2.96Å; Y136-N140 HydrophobicContact CE1-CB 4.23Å; Y136-N140 VanDerWaalsContact O-CB 3.3Å; Y136-N140 WeakPolarHBondContact O-CB 3.46Å; Y136-N140 PolarHBondContact O-N 2.94Å; Y136-N140 PolarHBondContact O-ND2 3.25Å
137H97Very high95.5Very high0 Ų044.8 Ų44.80%021%0.213CC..Hα-helixtrans-72.2-31.4178.7-77.4-66.8000113.3L106 Q115 L119 R133 V134 V135 E139 T141 L144L106-H137 HydrophobicContact CD1-CB 4.37Å; Q115-H137 WeakPolarHBondContact CB-NE2 3.29Å; Q115-H137 PolarHBondContact OE1-NE2 2.99Å; Q115-H137 VanDerWaalsContact OE1-NE2 3.08Å; L119-H137 HydrophobicContact CD1-CB 4.09Å; R133-H137 PolarHBondContact O-CD2 3.17Å; R133-H137 PolarHBondContact O-N 2.95Å; R133-H137 VanDerWaalsContact O-N 3.09Å; V134-H137 PolarHBondContact O-N 3.02Å; V135-H137 VanDerWaalsContact C-N 3.29Å; V135-H137 PolarHBondContact O-N 3.19Å; H137-E139 PolarHBondContact O-N 2.85Å; H137-T141 PolarHBondContact ND1-OG1 2.64Å; H137-T141 CarbonylContact O-C 3.59Å; H137-T141 WeakPolarHBondContact O-CA 3.42Å; H137-T141 VanDerWaalsContact O-CB 3.25Å; H137-T141 WeakPolarHBondContact O-CB 3.37Å; H137-T141 PolarHBondContact O-N 3.31Å; H137-T141 VanDerWaalsContact O-O 3.1Å; H137-L144 HydrophobicContact CB-CD2 3.53Å
138L96.8Very high95.3Very high32 Ų3248.1 Ų48.117%0.16823%0.228CC..Hα-helixtrans-61.7-34.8172.9-80.2170.8000112.2V134 V135 L144 L146 F171 I172 K175V134-L138 HydrophobicContact CG1-CD1 4.17Å; V134-L138 HydrophobicContact CG1-CG 4.47Å; V134-L138 WeakPolarHBondContact O-CG 3.41Å; V134-L138 PolarHBondContact O-N 3.09Å; V135-L138 WeakPolarHBondContact O-CB 3.49Å; V135-L138 PolarHBondContact O-N 2.96Å; L138-L144 HydrophobicContact CD2-CD2 4.19Å; L138-L144 HydrophobicContact CD2-CG 4.17Å; L138-L144 HydrophobicContact CG-CD2 4.02Å; L138-L146 HydrophobicContact CD1-CD1 3.73Å; L138-L146 HydrophobicContact CD2-CD1 3.75Å; L138-L146 HydrophobicContact CD2-CG 3.7Å; L138-L146 HydrophobicContact CG-CD1 4.18Å; L138-F171 HydrophobicContact CB-CE1 3.95Å; L138-F171 HydrophobicContact CD1-CD1 4.25Å; L138-F171 HydrophobicContact CD1-CE1 4.09Å; L138-I172 HydrophobicContact CD1-CG1 3.94Å; L138-K175 HydrophobicContact CD1-CG 4.37Å
139E95.8Very high95.2Very high122 Ų12248.1 Ų48.157%0.5723%0.228SC*.Hα-helixtrans-84.8-35.4-179.8-67.3174.4152.100112.5V135 Y136 H137 F171V135-E139 HydrophobicContact CG1-CG 4.38Å; V135-E139 WeakPolarHBondContact O-CG 2.79Å; V135-E139 PolarHBondContact O-N 3.22Å; Y136-E139 PolarHBondContact O-N 2.96Å; H137-E139 PolarHBondContact O-N 2.85Å; E139-F171 HydrophobicContact CG-CE1 4.03Å; E139-F171 HydrophobicContact CG-CZ 4.03Å
140N95.8Very high95.2Very high98 Ų9854 Ų5452%0.52425%0.25SS..Hα-helixtrans-112.8-8.1-167.7-62.2-86000114.4Y136Y136-N140 HydrophobicContact CE1-CB 4.23Å; Y136-N140 VanDerWaalsContact O-CB 3.3Å; Y136-N140 WeakPolarHBondContact O-CB 3.46Å; Y136-N140 PolarHBondContact O-N 2.94Å; Y136-N140 PolarHBondContact O-ND2 3.25Å
141T94Very high95.3Very high8 Ų853.6 Ų53.65%0.04925%0.247CC..  trans-130.3106.7-174.5-50.40000111.1V116 L119 H137 E143 L144V116-T141 HydrophobicContact CG1-CG2 4.47Å; V116-T141 HydrophobicContact CG2-CG2 4.44Å; L119-T141 HydrophobicContact CB-CG2 4.2Å; L119-T141 HydrophobicContact CD1-CG2 3.71Å; H137-T141 PolarHBondContact ND1-OG1 2.64Å; H137-T141 CarbonylContact O-C 3.59Å; H137-T141 WeakPolarHBondContact O-CA 3.42Å; H137-T141 VanDerWaalsContact O-CB 3.25Å; H137-T141 WeakPolarHBondContact O-CB 3.37Å; H137-T141 PolarHBondContact O-N 3.31Å; H137-T141 VanDerWaalsContact O-O 3.1Å; T141-E143 HydrophobicContact CG2-CB 4.45Å; T141-E143 WeakPolarHBondContact CG2-OE2 3.44Å; T141-E143 PolarHBondContact O-N 3.38Å; T141-E143 VanDerWaalsContact O-N 3.12Å; T141-L144 PolarHBondContact O-N 3.25Å
142K92.5Very high95.5Very high183 Ų18353.6 Ų53.680%0.79625%0.247SC*.THydrogen-bonded Turntrans-61.9-24.1-172.3-65.9-176.2179.3-179.10114
143E93Very high95.6Very high75 Ų7552.1 Ų52.135%0.3523%0.232SC..THydrogen-bonded Turntrans-75.6-23.6-177.4-62.180.9-178.700112.6L119 K120 T141 R145L119-E143 HydrophobicContact CB-CB 4.39Å; K120-E143 VanDerWaalsContact CE-OE1 3.25Å; K120-E143 WeakPolarHBondContact CE-OE1 3.36Å; K120-E143 HydrophobicContact CG-CG 3.89Å; K120-E143 WeakPolarHBondContact CG-OE1 3.29Å; T141-E143 HydrophobicContact CG2-CB 4.45Å; T141-E143 WeakPolarHBondContact CG2-OE2 3.44Å; T141-E143 PolarHBondContact O-N 3.38Å; T141-E143 VanDerWaalsContact O-N 3.12Å; E143-R145 PolarHBondContact O-N 2.61Å
144L95.9Very high95.6Very high7 Ų750.3 Ų50.34%0.03723%0.225CC..  trans-82.7103176.9-174.864.5000110.6L106 L119 F124 I127 V134 H137 L138 T141 L146L106-L144 HydrophobicContact CD1-CD1 4.24Å; L106-L144 HydrophobicContact CD1-CD2 3.75Å; L119-L144 HydrophobicContact CD1-CB 4.38Å; L119-L144 HydrophobicContact CD2-CB 4.42Å; L119-L144 HydrophobicContact CD2-CD1 4.08Å; F124-L144 HydrophobicContact CZ-CD1 4.27Å; I127-L144 HydrophobicContact CD1-CD1 3.73Å; I127-L144 HydrophobicContact CG1-CD1 4.29Å; V134-L144 HydrophobicContact CG1-CD2 4.48Å; H137-L144 HydrophobicContact CB-CD2 3.53Å; L138-L144 HydrophobicContact CD2-CD2 4.19Å; L138-L144 HydrophobicContact CD2-CG 4.17Å; L138-L144 HydrophobicContact CG-CD2 4.02Å; T141-L144 PolarHBondContact O-N 3.25Å; L144-L146 HydrophobicContact CD1-CD2 4.21Å
145R93.7Very high95.5Very high153 Ų15350.5 Ų50.558%0.57723%0.226SC*.  trans-122.6126.8176.1-58.5-175.2-174.8-179.5-0.8111.2N73 E143N73-R145 PolarHBondContact ND2-O 3.04Å; E143-R145 PolarHBondContact O-N 2.61Å
146L96.1Very high95.1Very high3 Ų350.3 Ų50.32%0.01622%0.224CC..  trans-101.6-4.4-175.4-59.8-174.7000114.4L76 I127 L138 L144 H148 V149 I172 K175 L176L76-L146 HydrophobicContact CD2-CD1 3.84Å; L76-L146 HydrophobicContact CD2-CD2 4.22Å; I127-L146 HydrophobicContact CD1-CD2 3.6Å; L138-L146 HydrophobicContact CD1-CD1 3.73Å; L138-L146 HydrophobicContact CD2-CD1 3.75Å; L138-L146 HydrophobicContact CD2-CG 3.7Å; L138-L146 HydrophobicContact CG-CD1 4.18Å; L144-L146 HydrophobicContact CD1-CD2 4.21Å; L146-H148 PolarHBondContact O-N 3.06Å; L146-H148 VanDerWaalsContact O-N 3.15Å; L146-V149 HydrophobicContact CB-CG2 4.26Å; L146-V149 HydrophobicContact CD2-CG2 4.04Å; L146-V149 WeakPolarHBondContact O-CB 3.46Å; L146-V149 WeakPolarHBondContact O-CG2 3.37Å; L146-V149 PolarHBondContact O-N 2.82Å; L146-V149 VanDerWaalsContact O-N 3.11Å; L146-I172 HydrophobicContact CD1-CG2 3.98Å; L146-K175 CarbonylContact C-O 3.15Å; L146-K175 VanDerWaalsContact C-O 3.31Å; L146-K175 HydrophobicContact CB-CB 4.3Å; L146-K175 WeakPolarHBondContact CB-O 3.41Å; L146-K175 HydrophobicContact CD1-CB 4.36Å; L146-L176 HydrophobicContact CB-CD2 3.95Å; L146-L176 HydrophobicContact CB-CG 4.5Å; L146-L176 HydrophobicContact CD1-CD2 4.34Å
147N93.3Very high94.7Very high72 Ų7246 Ų4639%0.38521%0.207SC..THydrogen-bonded Turntrans-64.5-16.1179.765.7-32.6000113.9K175 H177N147-K175 PolarHBondContact N-O 3.44Å; N147-H177 WeakPolarHBondContact O-CB 3.33Å; N147-H177 PolarHBondContact O-CD2 3.36Å; N147-H177 VanDerWaalsContact O-CD2 3.31Å
148H92.3Very high94.1Very high69 Ų6946.1 Ų46.132%0.31921%0.208SC..THydrogen-bonded Turntrans-99-4177-61.9-52.5000114.1R71 N73 L146 R150R71-H148 PolarHBondContact NH2-ND1 2.98Å; N73-H148 HydrophobicContact CB-CB 4.38Å; N73-H148 CarbonylContact O-C 3.53Å; L146-H148 PolarHBondContact O-N 3.06Å; L146-H148 VanDerWaalsContact O-N 3.15Å; H148-R150 PolarHBondContact O-N 2.78Å
149V96.2Very high93.3Very high0 Ų044.9 Ų44.90%020%0.201CC..  trans-64.3123.9-178.6172.20000110N73 L76 L146 Y151 L176 H177N73-V149 WeakPolarHBondContact O-CA 2.87Å; N73-V149 PolarHBondContact O-N 2.92Å; L76-V149 HydrophobicContact CB-CG1 4.07Å; L76-V149 HydrophobicContact CB-CG2 4.32Å; L146-V149 HydrophobicContact CB-CG2 4.26Å; L146-V149 HydrophobicContact CD2-CG2 4.04Å; L146-V149 WeakPolarHBondContact O-CB 3.46Å; L146-V149 WeakPolarHBondContact O-CG2 3.37Å; L146-V149 PolarHBondContact O-N 2.82Å; L146-V149 VanDerWaalsContact O-N 3.11Å; V149-Y151 WeakPolarHBondContact CG1-O 3.23Å; V149-L176 HydrophobicContact CB-CD2 3.74Å; V149-L176 HydrophobicContact CG1-CD2 3.77Å; V149-L176 HydrophobicContact CG2-CD2 4.1Å; V149-H177 WeakPolarHBondContact O-CB 3.24Å
150R96.3Very high92.7Very high124 Ų12439 Ų3947%0.46817%0.174SC..  trans-95.8-26.1176.4-61.4-53.1-57.6-98-0.4112.4F74 H148 K180 Q181F74-R150 HydrophobicContact CD2-CB 4.25Å; F74-R150 HydrophobicContact CD2-CG 4.14Å; F74-R150 HydrophobicContact CE2-CB 4.06Å; F74-R150 HydrophobicContact CE2-CG 4.04Å; F74-R150 HydrophobicContact CZ-CB 4.47Å; F74-R150 PolarHBondContact O-N 2.83Å; H148-R150 PolarHBondContact O-N 2.78Å; R150-K180 CarbonylContact O-C 3.58Å; R150-K180 WeakPolarHBondContact O-CA 3.37Å; R150-Q181 PolarHBondContact O-N 2.91Å
151Y97.9Very high91.9Very high4 Ų434.9 Ų34.92%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-123.5124.1179.1-73.9-87.6000111.6K41 I62 D65 F74 A75 L76 V149 Q181 F183K41-Y151 PolarHBondContact NZ-OH 2.96Å; I62-Y151 HydrophobicContact CD1-CD1 4.27Å; I62-Y151 HydrophobicContact CD1-CG 4.27Å; I62-Y151 HydrophobicContact CG1-CD1 3.59Å; I62-Y151 HydrophobicContact CG1-CD2 4.27Å; I62-Y151 HydrophobicContact CG1-CE1 4.1Å; I62-Y151 HydrophobicContact CG1-CG 3.69Å; I62-Y151 HydrophobicContact CG2-CD2 4.42Å; I62-Y151 HydrophobicContact CG2-CG 4.47Å; D65-Y151 HydrophobicContact CB-CE2 3.99Å; D65-Y151 WeakPolarHBondContact OD2-CE2 3.38Å; D65-Y151 PolarHBondContact OD2-OH 3.27Å; F74-Y151 AromaticContact CD1-CD2 3.97Å; F74-Y151 HydrophobicContact CD1-CD2 3.97Å; F74-Y151 HydrophobicContact CD1-CE2 4.46Å; F74-Y151 AromaticContact CE1-CD2 3.4Å; F74-Y151 HydrophobicContact CE1-CD2 3.4Å; F74-Y151 AromaticContact CE1-CE2 3.47Å; F74-Y151 HydrophobicContact CE1-CE2 3.47Å; F74-Y151 VanDerWaalsContact CE1-CE2 3.47Å; F74-Y151 AromaticContact CZ-CD2 3.81Å; F74-Y151 HydrophobicContact CZ-CD2 3.81Å; F74-Y151 AromaticContact CZ-CE2 3.55Å; F74-Y151 HydrophobicContact CZ-CE2 3.55Å; F74-Y151 PolarHBondContact O-N 2.74Å; F74-Y151 VanDerWaalsContact O-N 3.12Å; A75-Y151 CarbonylContact C-O 3.59Å; A75-Y151 VanDerWaalsContact CA-O 3.3Å; A75-Y151 WeakPolarHBondContact CA-O 3.41Å; L76-Y151 PolarHBondContact N-O 3.39Å; V149-Y151 WeakPolarHBondContact CG1-O 3.23Å; Y151-Q181 WeakPolarHBondContact CA-O 3.4Å; Y151-Q181 HydrophobicContact CD1-CB 4.02Å; Y151-Q181 HydrophobicContact CD1-CG 4.39Å; Y151-Q181 HydrophobicContact CE1-CB 3.92Å; Y151-Q181 HydrophobicContact CE1-CG 4.06Å; Y151-Q181 VanDerWaalsContact CZ-OE1 3.26Å; Y151-Q181 PolarHBondContact OH-OE1 3.12Å; Y151-F183 HydrophobicContact CD1-CD2 4.43Å; Y151-F183 AromaticContact CD1-CE2 3.69Å; Y151-F183 HydrophobicContact CD1-CE2 3.69Å; Y151-F183 AromaticContact CD1-CZ 3.87Å; Y151-F183 HydrophobicContact CD1-CZ 3.87Å; Y151-F183 AromaticContact CE1-CE2 3.87Å; Y151-F183 HydrophobicContact CE1-CE2 3.87Å; Y151-F183 AromaticContact CE1-CZ 3.66Å; Y151-F183 HydrophobicContact CE1-CZ 3.66Å
152F97.7Very high90.8Very high0 Ų037.6 Ų37.60%016%0.164CC..EExtended strand (participates in β ladder)trans-117.3120.6173.1175.8-128.5000110.2L76 L78 L154 I172 I173 L176 K180 Q181 T182 F183 C200L76-F152 HydrophobicContact CB-CD2 4.33Å; L76-F152 HydrophobicContact CD2-CD2 3.98Å; L76-F152 HydrophobicContact CD2-CE2 3.97Å; L76-F152 HydrophobicContact CG-CD2 4.18Å; L76-F152 HydrophobicContact CG-CE2 4.39Å; L76-F152 CarbonylContact O-C 3.56Å; L76-F152 WeakPolarHBondContact O-CA 3.26Å; L78-F152 HydrophobicContact CD1-CE2 3.67Å; L78-F152 HydrophobicContact CD1-CZ 4.01Å; L78-F152 HydrophobicContact CG-CE2 3.99Å; F152-L154 HydrophobicContact CE1-CD1 4.09Å; F152-L154 HydrophobicContact CE1-CD2 4.07Å; F152-L154 HydrophobicContact CE1-CG 3.95Å; F152-L154 HydrophobicContact CE2-CD2 3.98Å; F152-L154 HydrophobicContact CE2-CG 4.49Å; F152-L154 HydrophobicContact CZ-CD1 4.3Å; F152-L154 HydrophobicContact CZ-CD2 3.47Å; F152-L154 VanDerWaalsContact CZ-CD2 3.47Å; F152-L154 HydrophobicContact CZ-CG 3.87Å; F152-I172 HydrophobicContact CE2-CG2 4.39Å; F152-I173 HydrophobicContact CE1-CG1 4.23Å; F152-I173 HydrophobicContact CZ-CG1 4.37Å; F152-L176 HydrophobicContact CB-CD1 4.17Å; F152-L176 HydrophobicContact CD1-CD1 3.86Å; F152-L176 HydrophobicContact CD2-CD1 3.58Å; F152-L176 HydrophobicContact CE1-CD1 4.03Å; F152-L176 HydrophobicContact CE2-CD1 3.77Å; F152-L176 HydrophobicContact CG-CD1 3.61Å; F152-L176 HydrophobicContact CZ-CD1 3.97Å; F152-K180 HydrophobicContact CB-CD 3.77Å; F152-K180 HydrophobicContact CB-CG 4.46Å; F152-K180 HydrophobicContact CG-CD 4.49Å; F152-Q181 PolarHBondContact N-O 3.25Å; F152-T182 HydrophobicContact CD1-CG2 3.99Å; F152-T182 CarbonylContact O-C 3.51Å; F152-T182 VanDerWaalsContact O-CA 3.28Å; F152-T182 WeakPolarHBondContact O-CA 3.43Å; F152-F183 PolarHBondContact O-N 2.83Å; F152-C200 HydrophobicContact CE1-CB 4.49Å
153V97.7Very high89.5Confident0 Ų030.5 Ų30.50%014%0.135CC..EExtended strand (participates in β ladder)trans-118131.3-177-1730000110F58 I62 L76 I77 L78 F183 Y185F58-V153 HydrophobicContact CD1-CG1 3.94Å; F58-V153 HydrophobicContact CD2-CG1 4.18Å; F58-V153 HydrophobicContact CD2-CG2 4.42Å; F58-V153 HydrophobicContact CE1-CG1 4.02Å; F58-V153 HydrophobicContact CE2-CG1 4.31Å; F58-V153 HydrophobicContact CG-CG1 4Å; F58-V153 HydrophobicContact CZ-CG1 4.21Å; I62-V153 HydrophobicContact CD1-CG2 3.71Å; L76-V153 PolarHBondContact O-N 2.84Å; I77-V153 WeakPolarHBondContact CA-O 3.37Å; I77-V153 HydrophobicContact CB-CB 4.16Å; I77-V153 HydrophobicContact CG1-CB 3.77Å; I77-V153 HydrophobicContact CG1-CG1 4.48Å; I77-V153 HydrophobicContact CG1-CG2 3.89Å; I77-V153 HydrophobicContact CG2-CB 3.99Å; I77-V153 HydrophobicContact CG2-CG1 4.08Å; L78-V153 PolarHBondContact N-O 3.04Å; V153-F183 CarbonylContact C-O 3.49Å; V153-F183 VanDerWaalsContact CA-O 3.25Å; V153-F183 WeakPolarHBondContact CA-O 3.3Å; V153-F183 HydrophobicContact CG1-CB 4.31Å; V153-F183 HydrophobicContact CG2-CB 4.21Å; V153-F183 HydrophobicContact CG2-CD2 3.96Å; V153-Y185 HydrophobicContact CG1-CD2 4.38Å
154L95.6Very high88.6Confident1 Ų132.4 Ų32.41%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-111.8103.6169.1-65.6176.8000107.8L78 F152 A157 M160 L169 F183 L184 Y185 I196L78-L154 HydrophobicContact CB-CD2 4Å; L78-L154 HydrophobicContact CD1-CD2 3.91Å; L78-L154 HydrophobicContact CG-CD2 4.36Å; F152-L154 HydrophobicContact CE1-CD1 4.09Å; F152-L154 HydrophobicContact CE1-CD2 4.07Å; F152-L154 HydrophobicContact CE1-CG 3.95Å; F152-L154 HydrophobicContact CE2-CD2 3.98Å; F152-L154 HydrophobicContact CE2-CG 4.49Å; F152-L154 HydrophobicContact CZ-CD1 4.3Å; F152-L154 HydrophobicContact CZ-CD2 3.47Å; F152-L154 VanDerWaalsContact CZ-CD2 3.47Å; F152-L154 HydrophobicContact CZ-CG 3.87Å; L154-A157 HydrophobicContact CB-CB 4.24Å; L154-M160 HydrophobicContact CB-CE 3.63Å; L154-M160 HydrophobicContact CD2-CE 3.62Å; L154-M160 HydrophobicContact CD2-SD 4.35Å; L154-M160 HydrophobicContact CG-CE 4.19Å; L154-L169 HydrophobicContact CD2-CD2 3.93Å; L154-F183 PolarHBondContact N-O 3.31Å; L154-L184 HydrophobicContact CB-CG 4.44Å; L154-L184 HydrophobicContact CD1-CD1 4.31Å; L154-Y185 PolarHBondContact O-N 3.37Å; L154-I196 HydrophobicContact CD1-CG2 3.42Å; L154-I196 VanDerWaalsContact CD1-CG2 3.42Å
155D93.9Very high88Confident4 Ų434 Ų342%0.02116%0.158CC..SBendtrans-97.8138.1175.5-163.712000110.3F58 L78 T79 P80 M160F58-D155 HydrophobicContact CE1-CB 4.28Å; L78-D155 PolarHBondContact O-N 3.09Å; T79-D155 HydrophobicContact CG2-CB 4.3Å; P80-D155 VanDerWaalsContact CD-O 3.29Å; P80-D155 WeakPolarHBondContact CD-O 3.36Å; D155-M160 WeakPolarHBondContact O-CE 3.27Å
156E88.7Confident87.6Confident10 Ų1031.8 Ų31.85%0.04715%0.154CC..SBendtrans51.251.5-168.4-57.3-165.6160.300113P80 L84 D158 Q159 M160 Y185 G314P80-E156 HydrophobicContact CG-CB 3.79Å; L84-E156 HydrophobicContact CD2-CB 4.33Å; L84-E156 HydrophobicContact CD2-CG 3.7Å; E156-D158 VanDerWaalsContact C-N 3.26Å; E156-D158 PolarHBondContact O-N 3.41Å; E156-Q159 HydrophobicContact CB-CB 4.34Å; E156-Q159 HydrophobicContact CB-CG 4.47Å; E156-Q159 VanDerWaalsContact CD-NE2 3.28Å; E156-Q159 PolarHBondContact O-N 3.04Å; E156-Q159 PolarHBondContact OE2-NE2 3.27Å; E156-Q159 PolarHBondContact OE2-OE1 2.99Å; E156-M160 PolarHBondContact O-N 3.11Å; E156-Y185 PolarHBondContact N-O 3.41Å; E156-Y185 VanDerWaalsContact N-O 3.09Å; E156-G314 WeakPolarHBondContact OE1-CA 3.24Å; E156-G314 VanDerWaalsContact OE2-CA 3.31Å; E156-G314 WeakPolarHBondContact OE2-CA 3.35Å
157A88.1Confident87.3Confident0 Ų039.3 Ų39.30%019%0.19CC..Hα-helixtrans-58.3-33-174.400000114.6L154 Q159 M160 L161 L184 Y185 V193L154-A157 HydrophobicContact CB-CB 4.24Å; A157-Q159 VanDerWaalsContact C-N 3.34Å; A157-M160 HydrophobicContact CB-CE 4.28Å; A157-M160 PolarHBondContact O-N 3.33Å; A157-L161 WeakPolarHBondContact O-CD1 3.46Å; A157-L161 PolarHBondContact O-N 3.02Å; A157-L184 HydrophobicContact CB-CD1 4.26Å; A157-L184 HydrophobicContact CB-CD2 3.87Å; A157-L184 HydrophobicContact CB-CG 3.84Å; A157-Y185 PolarHBondContact N-O 3.33Å; A157-V193 HydrophobicContact CB-CG2 4.47Å
158D83.9Confident87.4Confident4 Ų438.4 Ų38.42%0.02118%0.183CC..Hα-helixtrans-60-43173.249.3-35.9000111.9E156 L161 E162 S186 T188 V193E156-D158 VanDerWaalsContact C-N 3.26Å; E156-D158 PolarHBondContact O-N 3.41Å; D158-L161 PolarHBondContact O-N 3.37Å; D158-E162 WeakPolarHBondContact O-CG 3.35Å; D158-E162 PolarHBondContact O-N 2.83Å; D158-S186 WeakPolarHBondContact CB-OG 3.23Å; D158-S186 PolarHBondContact OD1-OG 3.02Å; D158-T188 PolarHBondContact OD2-OG1 3.37Å; D158-V193 VanDerWaalsContact CA-CG2 3.47Å; D158-V193 HydrophobicContact CB-CG2 3.77Å
159Q80.8Confident87.4Confident5 Ų535.4 Ų35.42%0.02317%0.169CC..Hα-helixtrans-72.5-36.4179.5-66.8-174.249.600112.5P80 E156 A157 L161 E162 D163P80-Q159 HydrophobicContact CB-CB 3.93Å; P80-Q159 HydrophobicContact CG-CB 3.9Å; E156-Q159 HydrophobicContact CB-CB 4.34Å; E156-Q159 HydrophobicContact CB-CG 4.47Å; E156-Q159 VanDerWaalsContact CD-NE2 3.28Å; E156-Q159 PolarHBondContact O-N 3.04Å; E156-Q159 PolarHBondContact OE2-NE2 3.27Å; E156-Q159 PolarHBondContact OE2-OE1 2.99Å; A157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-L161 PolarHBondContact O-N 3.47Å; Q159-E162 PolarHBondContact O-N 2.9Å; Q159-E162 VanDerWaalsContact O-N 3.16Å; Q159-D163 PolarHBondContact O-N 3.46Å
160M83.2Confident87.1Confident0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-60.8-32.4177.1-73.3-170.1-73.700112.5L78 P80 P131 L154 D155 E156 A157 F165 L169L78-M160 HydrophobicContact CB-SD 3.85Å; P80-M160 HydrophobicContact CB-CG 3.83Å; P80-M160 HydrophobicContact CG-CG 4.35Å; P131-M160 HydrophobicContact CG-SD 4.08Å; L154-M160 HydrophobicContact CB-CE 3.63Å; L154-M160 HydrophobicContact CD2-CE 3.62Å; L154-M160 HydrophobicContact CD2-SD 4.35Å; L154-M160 HydrophobicContact CG-CE 4.19Å; D155-M160 WeakPolarHBondContact O-CE 3.27Å; E156-M160 PolarHBondContact O-N 3.11Å; A157-M160 HydrophobicContact CB-CE 4.28Å; A157-M160 PolarHBondContact O-N 3.33Å; M160-F165 HydrophobicContact CB-CD2 4.39Å; M160-F165 WeakPolarHBondContact O-CB 2.97Å; M160-F165 WeakPolarHBondContact O-CD2 3.48Å; M160-F165 PolarHBondContact O-N 3.02Å; M160-L169 HydrophobicContact CB-CD1 4.29Å; M160-L169 HydrophobicContact SD-CD2 4.48Å
161L78.2Confident87.1Confident11 Ų1134.9 Ų34.96%0.05818%0.181CC..Hα-helixtrans-75.9-37.8175.9-76162.5000112.5A157 D158 Q159 D163 T164 E166 N192 V193 I196A157-L161 WeakPolarHBondContact O-CD1 3.46Å; A157-L161 PolarHBondContact O-N 3.02Å; D158-L161 PolarHBondContact O-N 3.37Å; Q159-L161 PolarHBondContact O-N 3.47Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.42Å; L161-T164 PolarHBondContact O-N 3.13Å; L161-E166 HydrophobicContact CD2-CG 3.75Å; L161-N192 HydrophobicContact CB-CB 4.18Å; L161-N192 HydrophobicContact CD1-CB 3.56Å; L161-N192 WeakPolarHBondContact CD1-O 3.25Å; L161-N192 HydrophobicContact CD2-CB 4.23Å; L161-N192 HydrophobicContact CG-CB 4.19Å; L161-V193 HydrophobicContact CD1-CB 4.49Å; L161-V193 HydrophobicContact CD1-CG2 3.93Å; L161-I196 HydrophobicContact CD1-CD1 3.48Å; L161-I196 VanDerWaalsContact CD1-CD1 3.48Å; L161-I196 HydrophobicContact CD1-CG1 3.91Å; L161-I196 HydrophobicContact CD2-CD1 3.32Å; L161-I196 HydrophobicContact CD2-CG1 3.86Å; L161-I196 HydrophobicContact CG-CD1 3.42Å; L161-I196 VanDerWaalsContact CG-CD1 3.42Å; L161-I196 HydrophobicContact CG-CG1 4.22Å
162E71.8Confident87Confident64 Ų6434.7 Ų34.730%0.29918%0.18SC..Hα-helixtrans-63.4-35.5174.5-73.2-179.7-173.700112.6D158 Q159 T164 R313 K339D158-E162 WeakPolarHBondContact O-CG 3.35Å; D158-E162 PolarHBondContact O-N 2.83Å; Q159-E162 PolarHBondContact O-N 2.9Å; Q159-E162 VanDerWaalsContact O-N 3.16Å; E162-T164 PolarHBondContact O-N 3.46Å; E162-R313 IonicContact OE2-CZ 3.01Å; E162-R313 IonicContact OE2-NH2 2.99Å; E162-R313 PolarHBondContact OE2-NH2 3.47Å; E162-K339 IonicContact OE1-NZ 2.61Å
163D66.1Low86.8Confident34 Ų3436.5 Ų36.518%0.18219%0.189CC..THydrogen-bonded Turntrans-83.117.6-176.4-69.6-21.8000113.4Q159 L161 F165 R313Q159-D163 PolarHBondContact O-N 3.46Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.42Å; D163-F165 VanDerWaalsContact C-N 3.3Å; D163-F165 HydrophobicContact CB-CD2 3.8Å; D163-F165 HydrophobicContact CB-CE2 3.48Å; D163-F165 VanDerWaalsContact CB-CE2 3.48Å; D163-F165 HydrophobicContact CB-CZ 4.09Å; D163-F165 PolarHBondContact O-N 3.32Å; D163-R313 IonicContact OD1-CZ 3.11Å; D163-R313 IonicContact OD1-NH1 3.95Å; D163-R313 PolarHBondContact OD1-NH1 3.5Å; D163-R313 IonicContact OD2-NH1 2.75Å
164T73.9Confident86.6Confident116 Ų11641.3 Ų41.371%0.71222%0.219SC*.THydrogen-bonded Turntrans61.527.8177.261.90000114.9L161 E162 E166 Q168L161-T164 PolarHBondContact O-N 3.13Å; E162-T164 PolarHBondContact O-N 3.46Å; T164-E166 PolarHBondContact O-N 3.42Å; T164-Q168 PolarHBondContact O-OE1 3.17Å
165F83.4Confident86.7Confident40 Ų4046 Ų4618%0.17524%0.239CC..  trans-81.410.6177.9-61.3-52.6000114.8P131 M160 D163 Q167 Q168 L169P131-F165 HydrophobicContact CB-CB 3.9Å; P131-F165 HydrophobicContact CB-CD1 4.17Å; P131-F165 HydrophobicContact CB-CG 3.97Å; P131-F165 HydrophobicContact CG-CB 3.94Å; P131-F165 HydrophobicContact CG-CD1 4.49Å; P131-F165 HydrophobicContact CG-CD2 4Å; P131-F165 HydrophobicContact CG-CG 3.91Å; M160-F165 HydrophobicContact CB-CD2 4.39Å; M160-F165 WeakPolarHBondContact O-CB 2.97Å; M160-F165 WeakPolarHBondContact O-CD2 3.48Å; M160-F165 PolarHBondContact O-N 3.02Å; D163-F165 VanDerWaalsContact C-N 3.3Å; D163-F165 HydrophobicContact CB-CD2 3.8Å; D163-F165 HydrophobicContact CB-CE2 3.48Å; D163-F165 VanDerWaalsContact CB-CE2 3.48Å; D163-F165 HydrophobicContact CB-CZ 4.09Å; D163-F165 PolarHBondContact O-N 3.32Å; F165-Q167 VanDerWaalsContact C-N 3.35Å; F165-Q167 PolarHBondContact O-N 3.07Å; F165-Q168 VanDerWaalsContact C-OE1 3.23Å; F165-Q168 PolarHBondContact O-N 3.38Å; F165-Q168 VanDerWaalsContact O-N 3.17Å; F165-Q168 PolarHBondContact O-OE1 3.32Å; F165-L169 HydrophobicContact CB-CD1 4.5Å; F165-L169 HydrophobicContact CB-CG 4.37Å; F165-L169 WeakPolarHBondContact O-CB 3.41Å; F165-L169 WeakPolarHBondContact O-CG 3.41Å; F165-L169 PolarHBondContact O-N 2.87Å
166E85Confident86.7Confident106 Ų10646.5 Ų46.550%0.49524%0.242SC..Hα-helixtrans-55.5-46.3-173.6-67.6-172.9179.100112.8L161 T164 Q168 L169 A170L161-E166 HydrophobicContact CD2-CG 3.75Å; T164-E166 PolarHBondContact O-N 3.42Å; E166-Q168 PolarHBondContact O-N 2.88Å; E166-L169 PolarHBondContact O-N 3.28Å; E166-A170 WeakPolarHBondContact O-CB 3.1Å; E166-A170 PolarHBondContact O-N 3.46Å
167Q90Very high87Confident162 Ų16249.1 Ų49.176%0.75725%0.254SS*.Hα-helixtrans-65.2-41.7179.8-66.1179.5-2.600111.6F165 A170 F171F165-Q167 VanDerWaalsContact C-N 3.35Å; F165-Q167 PolarHBondContact O-N 3.07Å; Q167-A170 PolarHBondContact O-N 3.08Å; Q167-F171 PolarHBondContact O-N 3.34Å
168Q93.9Very high87.1Confident53 Ų5353.3 Ų53.325%0.24828%0.281CS..Hα-helixtrans-67.2-42179.4-65.382.4-2.400111.2P131 V135 T164 F165 E166 F171 I172P131-Q168 HydrophobicContact CB-CB 3.88Å; V135-Q168 HydrophobicContact CB-CG 4.46Å; V135-Q168 HydrophobicContact CG2-CB 3.6Å; V135-Q168 HydrophobicContact CG2-CG 3.97Å; T164-Q168 PolarHBondContact O-OE1 3.17Å; F165-Q168 VanDerWaalsContact C-OE1 3.23Å; F165-Q168 PolarHBondContact O-N 3.38Å; F165-Q168 VanDerWaalsContact O-N 3.17Å; F165-Q168 PolarHBondContact O-OE1 3.32Å; E166-Q168 PolarHBondContact O-N 2.88Å; Q168-F171 PolarHBondContact O-N 3.16Å; Q168-I172 VanDerWaalsContact O-CG1 3.24Å; Q168-I172 WeakPolarHBondContact O-CG1 3.11Å; Q168-I172 PolarHBondContact O-N 3.45Å
169L92.7Very high87.4Confident5 Ų558.1 Ų58.13%0.02631%0.307CS..Hα-helixtrans-62.8-46.7175.3-72.2175.4000111.1L78 P131 L154 M160 F165 E166 F171 I172 I173 I196L78-L169 HydrophobicContact CD1-CD2 3.44Å; L78-L169 VanDerWaalsContact CD1-CD2 3.44Å; P131-L169 HydrophobicContact CB-CD2 4.32Å; P131-L169 HydrophobicContact CG-CD2 3.98Å; P131-L169 HydrophobicContact CG-CG 4.43Å; L154-L169 HydrophobicContact CD2-CD2 3.93Å; M160-L169 HydrophobicContact CB-CD1 4.29Å; M160-L169 HydrophobicContact SD-CD2 4.48Å; F165-L169 HydrophobicContact CB-CD1 4.5Å; F165-L169 HydrophobicContact CB-CG 4.37Å; F165-L169 WeakPolarHBondContact O-CB 3.41Å; F165-L169 WeakPolarHBondContact O-CG 3.41Å; F165-L169 PolarHBondContact O-N 2.87Å; E166-L169 PolarHBondContact O-N 3.28Å; L169-F171 VanDerWaalsContact C-N 3.32Å; L169-F171 PolarHBondContact O-N 3.2Å; L169-I172 PolarHBondContact O-N 3.35Å; L169-I173 WeakPolarHBondContact O-CD1 3.39Å; L169-I173 WeakPolarHBondContact O-CG1 3.45Å; L169-I173 PolarHBondContact O-N 2.85Å; L169-I196 HydrophobicContact CD1-CD1 3.74Å
170A91.4Very high88.1Confident55 Ų5559.3 Ų59.346%0.45531%0.312SS..Hα-helixtrans-55.7-48.3175.900000111.2E166 Q167 I172 I173 T174E166-A170 WeakPolarHBondContact O-CB 3.1Å; E166-A170 PolarHBondContact O-N 3.46Å; Q167-A170 PolarHBondContact O-N 3.08Å; A170-I172 PolarHBondContact O-N 3.02Å; A170-I173 PolarHBondContact O-N 3.01Å; A170-T174 WeakPolarHBondContact O-CG2 3.49Å; A170-T174 PolarHBondContact O-N 3.3Å
171F94.9Very high88.7Confident59 Ų5960 Ų6026%0.25932%0.315SS..Hα-helixtrans-60.3-47.1177.4-178.2-106.9000112.5V135 L138 E139 Q167 Q168 L169 I173 T174V135-F171 HydrophobicContact CB-CD1 4.35Å; V135-F171 HydrophobicContact CG1-CD1 3.8Å; V135-F171 HydrophobicContact CG1-CE1 4.07Å; V135-F171 HydrophobicContact CG2-CD1 3.94Å; L138-F171 HydrophobicContact CB-CE1 3.95Å; L138-F171 HydrophobicContact CD1-CD1 4.25Å; L138-F171 HydrophobicContact CD1-CE1 4.09Å; E139-F171 HydrophobicContact CG-CE1 4.03Å; E139-F171 HydrophobicContact CG-CZ 4.03Å; Q167-F171 PolarHBondContact O-N 3.34Å; Q168-F171 PolarHBondContact O-N 3.16Å; L169-F171 VanDerWaalsContact C-N 3.32Å; L169-F171 PolarHBondContact O-N 3.2Å; F171-I173 VanDerWaalsContact C-N 3.3Å; F171-I173 PolarHBondContact O-N 3.04Å; F171-T174 PolarHBondContact O-N 3.39Å; F171-T174 VanDerWaalsContact O-N 3.17Å; F171-T174 PolarHBondContact O-OG1 3.25Å
172I96.1Very high89.6Confident0 Ų059.5 Ų59.50%031%0.313CS..Hα-helixtrans-57.9-44177.5-69.9165.1000110.9L76 L78 P131 V134 V135 L138 L146 F152 Q168 L169 A170 T174 K175 L176L76-I172 HydrophobicContact CD2-CG2 3.67Å; L78-I172 HydrophobicContact CD1-CD1 3.77Å; L78-I172 HydrophobicContact CD1-CG2 4.27Å; L78-I172 HydrophobicContact CD2-CD1 4.22Å; P131-I172 HydrophobicContact CB-CD1 4.26Å; V134-I172 HydrophobicContact CB-CD1 4.05Å; V134-I172 HydrophobicContact CG1-CD1 3.91Å; V134-I172 HydrophobicContact CG1-CG1 4.15Å; V135-I172 HydrophobicContact CG2-CD1 3.93Å; V135-I172 HydrophobicContact CG2-CG1 3.77Å; L138-I172 HydrophobicContact CD1-CG1 3.94Å; L146-I172 HydrophobicContact CD1-CG2 3.98Å; F152-I172 HydrophobicContact CE2-CG2 4.39Å; Q168-I172 VanDerWaalsContact O-CG1 3.24Å; Q168-I172 WeakPolarHBondContact O-CG1 3.11Å; Q168-I172 PolarHBondContact O-N 3.45Å; L169-I172 PolarHBondContact O-N 3.35Å; A170-I172 PolarHBondContact O-N 3.02Å; I172-T174 VanDerWaalsContact C-N 3.25Å; I172-T174 PolarHBondContact O-N 3.37Å; I172-K175 PolarHBondContact O-N 3.01Å; I172-L176 HydrophobicContact CG2-CD1 4.12Å; I172-L176 HydrophobicContact CG2-CG 4.43Å; I172-L176 WeakPolarHBondContact O-CG 3.38Å; I172-L176 PolarHBondContact O-N 2.92Å
173I93.5Very high90.8Very high38 Ų3856.5 Ų56.520%0.19530%0.298CS..Hα-helixtrans-58.8-38.1-179.8-68.2159.1000111.4F152 L169 A170 F171 K175 L176 V199 C200F152-I173 HydrophobicContact CE1-CG1 4.23Å; F152-I173 HydrophobicContact CZ-CG1 4.37Å; L169-I173 WeakPolarHBondContact O-CD1 3.39Å; L169-I173 WeakPolarHBondContact O-CG1 3.45Å; L169-I173 PolarHBondContact O-N 2.85Å; A170-I173 PolarHBondContact O-N 3.01Å; F171-I173 VanDerWaalsContact C-N 3.3Å; F171-I173 PolarHBondContact O-N 3.04Å; I173-K175 PolarHBondContact O-N 2.93Å; I173-L176 PolarHBondContact O-N 3.23Å; I173-V199 HydrophobicContact CD1-CG1 4.38Å; I173-C200 WeakPolarHBondContact CD1-SG 3.42Å
174T94.3Very high92.2Very high100 Ų10054.9 Ų54.961%0.61329%0.29SS*.Hα-helixtrans-64.9-23177.473.10000114A170 F171 I172A170-T174 WeakPolarHBondContact O-CG2 3.49Å; A170-T174 PolarHBondContact O-N 3.3Å; F171-T174 PolarHBondContact O-N 3.39Å; F171-T174 VanDerWaalsContact O-N 3.17Å; F171-T174 PolarHBondContact O-OG1 3.25Å; I172-T174 VanDerWaalsContact C-N 3.25Å; I172-T174 PolarHBondContact O-N 3.37Å
175K96.2Very high93.2Very high100 Ų10049.3 Ų49.344%0.43526%0.256SS..Hα-helixtrans-92.9-9-178.7-57.6-58.8-178.6-179.40113.4L138 L146 N147 I172 I173L138-K175 HydrophobicContact CD1-CG 4.37Å; L146-K175 CarbonylContact C-O 3.15Å; L146-K175 VanDerWaalsContact C-O 3.31Å; L146-K175 HydrophobicContact CB-CB 4.3Å; L146-K175 WeakPolarHBondContact CB-O 3.41Å; L146-K175 HydrophobicContact CD1-CB 4.36Å; N147-K175 PolarHBondContact N-O 3.44Å; I172-K175 PolarHBondContact O-N 3.01Å; I173-K175 PolarHBondContact O-N 2.93Å
176L95.8Very high93.5Very high14 Ų1447.4 Ų47.47%0.07325%0.247CC..SBendtrans-85.2152.8-176.3-75.9170000112.3L76 L146 V149 F152 I172 I173 K180L76-L176 HydrophobicContact CD2-CD2 4.06Å; L146-L176 HydrophobicContact CB-CD2 3.95Å; L146-L176 HydrophobicContact CB-CG 4.5Å; L146-L176 HydrophobicContact CD1-CD2 4.34Å; V149-L176 HydrophobicContact CB-CD2 3.74Å; V149-L176 HydrophobicContact CG1-CD2 3.77Å; V149-L176 HydrophobicContact CG2-CD2 4.1Å; F152-L176 HydrophobicContact CB-CD1 4.17Å; F152-L176 HydrophobicContact CD1-CD1 3.86Å; F152-L176 HydrophobicContact CD2-CD1 3.58Å; F152-L176 HydrophobicContact CE1-CD1 4.03Å; F152-L176 HydrophobicContact CE2-CD1 3.77Å; F152-L176 HydrophobicContact CG-CD1 3.61Å; F152-L176 HydrophobicContact CZ-CD1 3.97Å; I172-L176 HydrophobicContact CG2-CD1 4.12Å; I172-L176 HydrophobicContact CG2-CG 4.43Å; I172-L176 WeakPolarHBondContact O-CG 3.38Å; I172-L176 PolarHBondContact O-N 2.92Å; I173-L176 PolarHBondContact O-N 3.23Å; L176-K180 HydrophobicContact CB-CD 3.74Å; L176-K180 HydrophobicContact CD1-CD 4.04Å; L176-K180 HydrophobicContact CD2-CD 4.31Å; L176-K180 HydrophobicContact CG-CD 4.27Å
177H93.1Very high93.4Very high66 Ų6644 Ų4431%0.30624%0.237SC..  trans-58.9138.9173.6-165.9-100.6000111.7N147 V149 N179 K180N147-H177 WeakPolarHBondContact O-CB 3.33Å; N147-H177 PolarHBondContact O-CD2 3.36Å; N147-H177 VanDerWaalsContact O-CD2 3.31Å; V149-H177 WeakPolarHBondContact O-CB 3.24Å; H177-N179 VanDerWaalsContact C-N 3.34Å; H177-N179 PolarHBondContact ND1-N 3.18Å; H177-N179 VanDerWaalsContact ND1-N 3.18Å; H177-N179 PolarHBondContact O-N 3Å; H177-K180 VanDerWaalsContact O-CD 3.3Å; H177-K180 WeakPolarHBondContact O-CD 3.38Å; H177-K180 WeakPolarHBondContact O-CG 3.41Å; H177-K180 PolarHBondContact O-NZ 3.28Å; H177-K180 VanDerWaalsContact O-NZ 3.1Å
178P90.3Very high92.8Very high87 Ų8738 Ų3857%0.56521%0.212SC*.THydrogen-bonded Turntrans-69.7-26.2-17824.9-34.6000114.2K202P178-K202 WeakPolarHBondContact O-CE 3.44Å; P178-K202 PolarHBondContact O-NZ 2.62Å
179N90.9Very high92.2Very high105 Ų10538.9 Ų38.956%0.56122%0.217SC*.THydrogen-bonded Turntrans-108.438.6-179.9-61.5-29.8000112.7H177 K202H177-N179 VanDerWaalsContact C-N 3.34Å; H177-N179 PolarHBondContact ND1-N 3.18Å; H177-N179 VanDerWaalsContact ND1-N 3.18Å; H177-N179 PolarHBondContact O-N 3Å; N179-K202 PolarHBondContact OD1-NZ 3.31Å
180K94.8Very high91.6Very high30 Ų3040.2 Ų40.213%0.1323%0.225CC..  trans-78.5155.2168.867.3-168175.4-74.20110.6R150 F152 L176 H177R150-K180 CarbonylContact O-C 3.58Å; R150-K180 WeakPolarHBondContact O-CA 3.37Å; F152-K180 HydrophobicContact CB-CD 3.77Å; F152-K180 HydrophobicContact CB-CG 4.46Å; F152-K180 HydrophobicContact CG-CD 4.49Å; L176-K180 HydrophobicContact CB-CD 3.74Å; L176-K180 HydrophobicContact CD1-CD 4.04Å; L176-K180 HydrophobicContact CD2-CD 4.31Å; L176-K180 HydrophobicContact CG-CD 4.27Å; H177-K180 VanDerWaalsContact O-CD 3.3Å; H177-K180 WeakPolarHBondContact O-CD 3.38Å; H177-K180 WeakPolarHBondContact O-CG 3.41Å; H177-K180 PolarHBondContact O-NZ 3.28Å; H177-K180 VanDerWaalsContact O-NZ 3.1Å
181Q96.4Very high91.2Very high15 Ų1545.2 Ų45.27%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-87.1130.7167-168.4172.10.300108.3A38 K41 K42 D43 R150 Y151 F152 F183A38-Q181 PolarHBondContact O-NE2 3.17Å; K41-Q181 VanDerWaalsContact C-NE2 3.32Å; K42-Q181 PolarHBondContact O-NE2 2.73Å; D43-Q181 WeakPolarHBondContact OD1-CA 3.49Å; R150-Q181 PolarHBondContact O-N 2.91Å; Y151-Q181 WeakPolarHBondContact CA-O 3.4Å; Y151-Q181 HydrophobicContact CD1-CB 4.02Å; Y151-Q181 HydrophobicContact CD1-CG 4.39Å; Y151-Q181 HydrophobicContact CE1-CB 3.92Å; Y151-Q181 HydrophobicContact CE1-CG 4.06Å; Y151-Q181 VanDerWaalsContact CZ-OE1 3.26Å; Y151-Q181 PolarHBondContact OH-OE1 3.12Å; F152-Q181 PolarHBondContact N-O 3.25Å; Q181-F183 HydrophobicContact CG-CD1 4.42Å; Q181-F183 HydrophobicContact CG-CE1 3.65Å; Q181-F183 HydrophobicContact CG-CZ 4.05Å; Q181-F183 VanDerWaalsContact NE2-CE1 3.34Å
182T97.4Very high90.6Very high1 Ų145.2 Ų45.21%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-112.7130.7-176.9-61.80000111D43 I44 F152 C200 T201D43-T182 VanDerWaalsContact CA-O 3.27Å; D43-T182 WeakPolarHBondContact CA-O 3.26Å; D43-T182 WeakPolarHBondContact CB-O 3.4Å; D43-T182 PolarHBondContact OD1-N 2.61Å; I44-T182 PolarHBondContact N-O 2.97Å; F152-T182 HydrophobicContact CD1-CG2 3.99Å; F152-T182 CarbonylContact O-C 3.51Å; F152-T182 VanDerWaalsContact O-CA 3.28Å; F152-T182 WeakPolarHBondContact O-CA 3.43Å; T182-C200 VanDerWaalsContact CB-O 3.32Å; T182-C200 WeakPolarHBondContact CB-O 3.22Å; T182-C200 HydrophobicContact CG2-CB 3.96Å; T182-C200 PolarHBondContact OG1-O 3.24Å; T182-T201 HydrophobicContact CG2-CG2 3.7Å
183F97.3Very high90Very high0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-116.9121.6170.7-53.6-33000110.9A38 I44 F58 P61 I62 Y151 F152 V153 L154 Q181 Y185A38-F183 HydrophobicContact CB-CE1 4.03Å; A38-F183 HydrophobicContact CB-CE2 4.42Å; A38-F183 HydrophobicContact CB-CZ 3.64Å; I44-F183 HydrophobicContact CB-CB 4.49Å; I44-F183 HydrophobicContact CB-CD1 3.64Å; I44-F183 HydrophobicContact CB-CE1 4.23Å; I44-F183 HydrophobicContact CB-CG 4.35Å; I44-F183 HydrophobicContact CG1-CD1 3.56Å; I44-F183 HydrophobicContact CG1-CE1 3.61Å; I44-F183 CarbonylContact O-C 3.54Å; I44-F183 WeakPolarHBondContact O-CA 3.1Å; F58-F183 HydrophobicContact CB-CD2 3.78Å; F58-F183 HydrophobicContact CB-CE2 4.36Å; P61-F183 HydrophobicContact CG-CE2 4.39Å; I62-F183 HydrophobicContact CD1-CD2 4.31Å; I62-F183 HydrophobicContact CD1-CE2 4.23Å; I62-F183 HydrophobicContact CG1-CE2 4.02Å; Y151-F183 HydrophobicContact CD1-CD2 4.43Å; Y151-F183 AromaticContact CD1-CE2 3.69Å; Y151-F183 HydrophobicContact CD1-CE2 3.69Å; Y151-F183 AromaticContact CD1-CZ 3.87Å; Y151-F183 HydrophobicContact CD1-CZ 3.87Å; Y151-F183 AromaticContact CE1-CE2 3.87Å; Y151-F183 HydrophobicContact CE1-CE2 3.87Å; Y151-F183 AromaticContact CE1-CZ 3.66Å; Y151-F183 HydrophobicContact CE1-CZ 3.66Å; F152-F183 PolarHBondContact O-N 2.83Å; V153-F183 CarbonylContact C-O 3.49Å; V153-F183 VanDerWaalsContact CA-O 3.25Å; V153-F183 WeakPolarHBondContact CA-O 3.3Å; V153-F183 HydrophobicContact CG1-CB 4.31Å; V153-F183 HydrophobicContact CG2-CB 4.21Å; V153-F183 HydrophobicContact CG2-CD2 3.96Å; L154-F183 PolarHBondContact N-O 3.31Å; Q181-F183 HydrophobicContact CG-CD1 4.42Å; Q181-F183 HydrophobicContact CG-CE1 3.65Å; Q181-F183 HydrophobicContact CG-CZ 4.05Å; Q181-F183 VanDerWaalsContact NE2-CE1 3.34Å; F183-Y185 HydrophobicContact CB-CD2 4.2Å; F183-Y185 HydrophobicContact CB-CE2 3.71Å; F183-Y185 HydrophobicContact CG-CE2 4.44Å
184L95.3Very high89.6Confident0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-110.5124.1174.4-172.1154.5000108.6I44 V45 G46 L154 A157 V193 I196 R197I44-L184 PolarHBondContact O-N 3.36Å; V45-L184 CarbonylContact C-O 3.5Å; V45-L184 VanDerWaalsContact CA-O 3.28Å; V45-L184 WeakPolarHBondContact CA-O 3.21Å; V45-L184 HydrophobicContact CG1-CD2 4.26Å; V45-L184 HydrophobicContact CG2-CB 4.35Å; G46-L184 PolarHBondContact N-O 3.25Å; L154-L184 HydrophobicContact CB-CG 4.44Å; L154-L184 HydrophobicContact CD1-CD1 4.31Å; A157-L184 HydrophobicContact CB-CD1 4.26Å; A157-L184 HydrophobicContact CB-CD2 3.87Å; A157-L184 HydrophobicContact CB-CG 3.84Å; L184-V193 HydrophobicContact CD1-CG1 4.33Å; L184-V193 HydrophobicContact CD2-CG1 3.66Å; L184-I196 HydrophobicContact CD1-CB 4.42Å; L184-I196 HydrophobicContact CD1-CG2 3.72Å; L184-R197 HydrophobicContact CD1-CB 4.32Å
185Y94.1Very high89.2Confident0 Ų046.3 Ų46.30%024%0.238CC..EExtended strand (participates in β ladder)trans-121.8134.2176.4-74.5-84.3000110.6I30 G46 K54 F58 V153 L154 E156 A157 F183I30-Y185 HydrophobicContact CG1-CE1 4.32Å; G46-Y185 WeakPolarHBondContact O-CA 3.47Å; K54-Y185 HydrophobicContact CB-CD1 3.99Å; K54-Y185 HydrophobicContact CB-CE1 4.43Å; K54-Y185 HydrophobicContact CB-CG 4.45Å; K54-Y185 HydrophobicContact CD-CD1 3.88Å; K54-Y185 HydrophobicContact CD-CG 4.42Å; K54-Y185 HydrophobicContact CG-CD1 3.78Å; K54-Y185 HydrophobicContact CG-CE1 4.32Å; F58-Y185 HydrophobicContact CB-CE2 3.69Å; F58-Y185 AromaticContact CD1-CD2 3.68Å; F58-Y185 HydrophobicContact CD1-CD2 3.68Å; F58-Y185 AromaticContact CD1-CE2 3.6Å; F58-Y185 HydrophobicContact CD1-CE2 3.6Å; F58-Y185 HydrophobicContact CD1-CG 4.43Å; F58-Y185 HydrophobicContact CE1-CD2 4.35Å; F58-Y185 HydrophobicContact CG-CE2 4.11Å; V153-Y185 HydrophobicContact CG1-CD2 4.38Å; L154-Y185 PolarHBondContact O-N 3.37Å; E156-Y185 PolarHBondContact N-O 3.41Å; E156-Y185 VanDerWaalsContact N-O 3.09Å; A157-Y185 PolarHBondContact N-O 3.33Å; F183-Y185 HydrophobicContact CB-CD2 4.2Å; F183-Y185 HydrophobicContact CB-CE2 3.71Å; F183-Y185 HydrophobicContact CG-CE2 4.44Å
186S89.4Confident88.6Confident0 Ų042.5 Ų42.50%022%0.222CC..EExtended strand (participates in β ladder)trans-152.2159.4179.4-178.60000110.7G46 L47 A48 D158 T188G46-S186 PolarHBondContact O-N 2.84Å; L47-S186 WeakPolarHBondContact CA-O 3.39Å; A48-S186 PolarHBondContact N-O 2.74Å; D158-S186 WeakPolarHBondContact CB-OG 3.23Å; D158-S186 PolarHBondContact OD1-OG 3.02Å; S186-T188 PolarHBondContact OG-N 3.4Å; S186-T188 VanDerWaalsContact OG-N 3.17Å; S186-T188 PolarHBondContact OG-O 2.99Å
187A83Confident88.3Confident34 Ų3444.6 Ų44.628%0.28123%0.229SC..SBendtrans-78.6-28.4168.600000111.9A48A48-A187 WeakPolarHBondContact O-CA 3.47Å
188T77.2Confident88Confident37 Ų3748 Ų4823%0.22724%0.243CC..SBendtrans-140.8140-172.362.10000112.4D158 S186 T190D158-T188 PolarHBondContact OD2-OG1 3.37Å; S186-T188 PolarHBondContact OG-N 3.4Å; S186-T188 VanDerWaalsContact OG-N 3.17Å; S186-T188 PolarHBondContact OG-O 2.99Å; T188-T190 PolarHBondContact O-N 3.21Å
189M81.4Confident87.8Confident71 Ų7149 Ų4935%0.3525%0.247SC..  trans-85.886.6173-171.460.378.600110.2V45 L47 V193 D194V45-M189 HydrophobicContact CG1-CE 3.55Å; L47-M189 HydrophobicContact CD1-CB 3.83Å; L47-M189 HydrophobicContact CD1-CE 3.69Å; L47-M189 HydrophobicContact CD2-CB 4.21Å; L47-M189 HydrophobicContact CD2-CE 4.06Å; L47-M189 HydrophobicContact CG-CE 4.18Å; M189-V193 HydrophobicContact SD-CB 4.26Å; M189-V193 HydrophobicContact SD-CG1 3.76Å; M189-D194 HydrophobicContact SD-CB 4.37Å
190T80.6Confident87.6Confident32 Ų3244.4 Ų44.420%0.19622%0.224CC..  trans-84.2163.1172.767.40000111.3T188 N192 V193 D194T188-T190 PolarHBondContact O-N 3.21Å; T190-N192 PolarHBondContact O-N 2.79Å; T190-V193 PolarHBondContact O-N 2.88Å; T190-V193 VanDerWaalsContact O-N 3.11Å; T190-V193 VanDerWaalsContact OG1-CG2 3.31Å; T190-V193 WeakPolarHBondContact OG1-CG2 3.49Å; T190-V193 PolarHBondContact OG1-N 3.22Å; T190-D194 PolarHBondContact O-N 3.44Å
191Q83Confident87.2Confident161 Ų16143.8 Ų43.875%0.75222%0.222SC*.Hα-helixtrans-56.7-36.2175.1-68.1-177.8-200112.6D194 K195Q191-D194 PolarHBondContact O-N 3.05Å; Q191-K195 WeakPolarHBondContact O-CG 3.31Å; Q191-K195 PolarHBondContact O-N 3.48Å
192N81.8Confident86.8Confident59 Ų5949.1 Ų49.132%0.31625%0.245SC..Hα-helixtrans-70.8-39.1177.9-68.2-12.1000111.3L161 T190 D194 K195 I196L161-N192 HydrophobicContact CB-CB 4.18Å; L161-N192 HydrophobicContact CD1-CB 3.56Å; L161-N192 WeakPolarHBondContact CD1-O 3.25Å; L161-N192 HydrophobicContact CD2-CB 4.23Å; L161-N192 HydrophobicContact CG-CB 4.19Å; T190-N192 PolarHBondContact O-N 2.79Å; N192-D194 VanDerWaalsContact C-N 3.29Å; N192-D194 PolarHBondContact O-N 3.18Å; N192-K195 WeakPolarHBondContact O-CB 3.17Å; N192-K195 PolarHBondContact O-N 3.32Å; N192-I196 PolarHBondContact O-N 3.45Å
193V83.7Confident86.5Confident0 Ų054.5 Ų54.50%028%0.283CS..Hα-helixtrans-62.4-39.9173.3174.30000110.6A157 D158 L161 L184 M189 T190 K195 I196 R197A157-V193 HydrophobicContact CB-CG2 4.47Å; D158-V193 VanDerWaalsContact CA-CG2 3.47Å; D158-V193 HydrophobicContact CB-CG2 3.77Å; L161-V193 HydrophobicContact CD1-CB 4.49Å; L161-V193 HydrophobicContact CD1-CG2 3.93Å; L184-V193 HydrophobicContact CD1-CG1 4.33Å; L184-V193 HydrophobicContact CD2-CG1 3.66Å; M189-V193 HydrophobicContact SD-CB 4.26Å; M189-V193 HydrophobicContact SD-CG1 3.76Å; T190-V193 PolarHBondContact O-N 2.88Å; T190-V193 VanDerWaalsContact O-N 3.11Å; T190-V193 VanDerWaalsContact OG1-CG2 3.31Å; T190-V193 WeakPolarHBondContact OG1-CG2 3.49Å; T190-V193 PolarHBondContact OG1-N 3.22Å; V193-K195 VanDerWaalsContact C-N 3.34Å; V193-K195 PolarHBondContact O-N 2.69Å; V193-I196 PolarHBondContact O-N 3.32Å; V193-R197 WeakPolarHBondContact O-CB 3.39Å; V193-R197 PolarHBondContact O-N 3.29Å
194D86Confident86.3Confident34 Ų3456 Ų5618%0.18229%0.292CS..Hα-helixtrans-61.9-39.8174.8-176.551.6000112.6M189 T190 Q191 N192 R197 K198M189-D194 HydrophobicContact SD-CB 4.37Å; T190-D194 PolarHBondContact O-N 3.44Å; Q191-D194 PolarHBondContact O-N 3.05Å; N192-D194 VanDerWaalsContact C-N 3.29Å; N192-D194 PolarHBondContact O-N 3.18Å; D194-R197 WeakPolarHBondContact O-CB 3.33Å; D194-R197 PolarHBondContact O-N 3.21Å; D194-R197 IonicContact OD1-CZ 2.73Å; D194-R197 IonicContact OD1-NE 2.61Å; D194-R197 PolarHBondContact OD1-NE 3.48Å; D194-R197 IonicContact OD1-NH2 2.99Å; D194-R197 PolarHBondContact OD1-NH2 3.49Å; D194-K198 WeakPolarHBondContact O-CG 3.48Å; D194-K198 PolarHBondContact O-N 2.82Å; D194-K198 VanDerWaalsContact O-N 3.07Å; D194-K198 VanDerWaalsContact OD2-CE 3.26Å; D194-K198 WeakPolarHBondContact OD2-CE 3.03Å; D194-K198 IonicContact OD2-NZ 2.72Å; D194-K198 PolarHBondContact OD2-NZ 2.94Å
195K84.9Confident86.2Confident127 Ų12758.3 Ų58.355%0.55231%0.307SS*.Hα-helixtrans-61.4-49.4173.6-71172.4-175.21730111.3Q191 N192 V193 R197 K198 V199Q191-K195 WeakPolarHBondContact O-CG 3.31Å; Q191-K195 PolarHBondContact O-N 3.48Å; N192-K195 WeakPolarHBondContact O-CB 3.17Å; N192-K195 PolarHBondContact O-N 3.32Å; V193-K195 VanDerWaalsContact C-N 3.34Å; V193-K195 PolarHBondContact O-N 2.69Å; K195-R197 VanDerWaalsContact C-N 3.32Å; K195-R197 PolarHBondContact O-N 2.95Å; K195-K198 PolarHBondContact O-N 3.37Å; K195-V199 WeakPolarHBondContact O-CG2 3.46Å; K195-V199 PolarHBondContact O-N 3.31Å
196I84.5Confident86.2Confident20 Ų2062 Ų6210%0.10333%0.325CS..Hα-helixtrans-60.5-43.1176.8-73.5-167.6000111L154 L161 L169 L184 N192 V193 K198 V199 C200L154-I196 HydrophobicContact CD1-CG2 3.42Å; L154-I196 VanDerWaalsContact CD1-CG2 3.42Å; L161-I196 HydrophobicContact CD1-CD1 3.48Å; L161-I196 VanDerWaalsContact CD1-CD1 3.48Å; L161-I196 HydrophobicContact CD1-CG1 3.91Å; L161-I196 HydrophobicContact CD2-CD1 3.32Å; L161-I196 HydrophobicContact CD2-CG1 3.86Å; L161-I196 HydrophobicContact CG-CD1 3.42Å; L161-I196 VanDerWaalsContact CG-CD1 3.42Å; L161-I196 HydrophobicContact CG-CG1 4.22Å; L169-I196 HydrophobicContact CD1-CD1 3.74Å; L184-I196 HydrophobicContact CD1-CB 4.42Å; L184-I196 HydrophobicContact CD1-CG2 3.72Å; N192-I196 PolarHBondContact O-N 3.45Å; V193-I196 PolarHBondContact O-N 3.32Å; I196-K198 VanDerWaalsContact C-N 3.3Å; I196-K198 PolarHBondContact O-N 3.35Å; I196-V199 PolarHBondContact O-N 3.19Å; I196-V199 VanDerWaalsContact O-N 3.13Å; I196-C200 HydrophobicContact CG2-CB 4.46Å; I196-C200 WeakPolarHBondContact O-CB 3.38Å; I196-C200 PolarHBondContact O-N 2.86Å; I196-C200 PolarHBondContact O-SG 3.11Å; I196-C200 VanDerWaalsContact O-SG 3.39Å
197R88.5Confident86.3Confident57 Ų5762.9 Ų62.922%0.21533%0.33CS..Hα-helixtrans-52.5-50.9176.6176.1-172.473.4153.18110.6V45 L184 V193 D194 K195 V199 C200 T201 P204V45-R197 HydrophobicContact CG2-CG 3.76Å; L184-R197 HydrophobicContact CD1-CB 4.32Å; V193-R197 WeakPolarHBondContact O-CB 3.39Å; V193-R197 PolarHBondContact O-N 3.29Å; D194-R197 WeakPolarHBondContact O-CB 3.33Å; D194-R197 PolarHBondContact O-N 3.21Å; D194-R197 IonicContact OD1-CZ 2.73Å; D194-R197 IonicContact OD1-NE 2.61Å; D194-R197 PolarHBondContact OD1-NE 3.48Å; D194-R197 IonicContact OD1-NH2 2.99Å; D194-R197 PolarHBondContact OD1-NH2 3.49Å; K195-R197 VanDerWaalsContact C-N 3.32Å; K195-R197 PolarHBondContact O-N 2.95Å; R197-V199 VanDerWaalsContact C-N 3.26Å; R197-V199 PolarHBondContact O-N 3.33Å; R197-C200 PolarHBondContact O-N 2.98Å; R197-T201 WeakPolarHBondContact O-CB 3.35Å; R197-T201 PolarHBondContact O-N 3.1Å; R197-T201 PolarHBondContact O-OG1 3.19Å; R197-P204 HydrophobicContact CG-CG 4.34Å
198K87.6Confident86.5Confident139 Ų13966.6 Ų66.660%0.60434%0.341SS*.Hα-helixtrans-61.4-33-179.3-73.1169.8175.8159.90113.1D194 K195 I196D194-K198 WeakPolarHBondContact O-CG 3.48Å; D194-K198 PolarHBondContact O-N 2.82Å; D194-K198 VanDerWaalsContact O-N 3.07Å; D194-K198 VanDerWaalsContact OD2-CE 3.26Å; D194-K198 WeakPolarHBondContact OD2-CE 3.03Å; D194-K198 IonicContact OD2-NZ 2.72Å; D194-K198 PolarHBondContact OD2-NZ 2.94Å; K195-K198 PolarHBondContact O-N 3.37Å; I196-K198 VanDerWaalsContact C-N 3.3Å; I196-K198 PolarHBondContact O-N 3.35Å
199V86.3Confident86.4Confident106 Ų10665.4 Ų65.464%0.64233%0.334SS*.Hα-helixtrans-81.3-38.6179.8175.70000112.3I173 K195 I196 R197I173-V199 HydrophobicContact CD1-CG1 4.38Å; K195-V199 WeakPolarHBondContact O-CG2 3.46Å; K195-V199 PolarHBondContact O-N 3.31Å; I196-V199 PolarHBondContact O-N 3.19Å; I196-V199 VanDerWaalsContact O-N 3.13Å; R197-V199 VanDerWaalsContact C-N 3.26Å; R197-V199 PolarHBondContact O-N 3.33Å
200C86.8Confident85.4Confident10 Ų1065.6 Ų65.67%0.06834%0.343CS..Hα-helixtrans-96-22.4-167.5-64.70000114.6F152 I173 T182 I196 R197F152-C200 HydrophobicContact CE1-CB 4.49Å; I173-C200 WeakPolarHBondContact CD1-SG 3.42Å; T182-C200 VanDerWaalsContact CB-O 3.32Å; T182-C200 WeakPolarHBondContact CB-O 3.22Å; T182-C200 HydrophobicContact CG2-CB 3.96Å; T182-C200 PolarHBondContact OG1-O 3.24Å; I196-C200 HydrophobicContact CG2-CB 4.46Å; I196-C200 WeakPolarHBondContact O-CB 3.38Å; I196-C200 PolarHBondContact O-N 2.86Å; I196-C200 PolarHBondContact O-SG 3.11Å; I196-C200 VanDerWaalsContact O-SG 3.39Å; R197-C200 PolarHBondContact O-N 2.98Å
201T85.4Confident83.7Confident16 Ų1668.2 Ų68.210%0.09836%0.362CS..  trans-115.9153.4-17166.80000112.8D43 T182 R197 P204D43-T201 HydrophobicContact CB-CG2 4.38Å; D43-T201 WeakPolarHBondContact OD2-CA 3.27Å; T182-T201 HydrophobicContact CG2-CG2 3.7Å; R197-T201 WeakPolarHBondContact O-CB 3.35Å; R197-T201 PolarHBondContact O-N 3.1Å; R197-T201 PolarHBondContact O-OG1 3.19Å; T201-P204 HydrophobicContact CG2-CB 4.35Å; T201-P204 WeakPolarHBondContact OG1-CG 3.37Å
202K89.2Confident81.7Confident127 Ų12769.8 Ų69.855%0.55237%0.366SS*.SBendtrans-119.6103.8174.8-61.1-177.8-170.3177.80109.8D43 P178 N179D43-K202 PolarHBondContact OD2-N 3.13Å; P178-K202 WeakPolarHBondContact O-CE 3.44Å; P178-K202 PolarHBondContact O-NZ 2.62Å; N179-K202 PolarHBondContact OD1-NZ 3.31Å
203S90Very high79.9Confident114 Ų11474 Ų7480%0.79738%0.379SS*.SBendtrans49.759.5-177.9-57.50000113.4
204P93.4Very high77.9Confident31 Ų3177.8 Ų77.820%0.20141%0.406CS..PPolyproline II helixtrans-69.9150.2-175.331.8-37.6000112.2D43 V45 R197 T201 I206D43-P204 HydrophobicContact CB-CB 3.93Å; D43-P204 CarbonylContact O-C 3.54Å; D43-P204 VanDerWaalsContact O-CA 3.3Å; D43-P204 WeakPolarHBondContact O-CA 3.25Å; V45-P204 HydrophobicContact CG2-CB 3.76Å; V45-P204 HydrophobicContact CG2-CG 3.87Å; R197-P204 HydrophobicContact CG-CG 4.34Å; T201-P204 HydrophobicContact CG2-CB 4.35Å; T201-P204 WeakPolarHBondContact OG1-CG 3.37Å; P204-I206 PolarHBondContact O-N 3.23Å
205V94.4Very high76Confident50 Ų5081.6 Ų81.630%0.30342%0.42SS..EExtended strand (participates in β ladder)trans-77.4118.7163.1-177.50000107.8A37 K42 D43 I44 V45 L207A37-V205 HydrophobicContact CB-CB 4.44Å; A37-V205 HydrophobicContact CB-CG1 4.39Å; A37-V205 HydrophobicContact CB-CG2 4.36Å; K42-V205 HydrophobicContact CB-CG2 3.85Å; K42-V205 HydrophobicContact CG-CG2 4.11Å; D43-V205 PolarHBondContact O-N 2.92Å; I44-V205 HydrophobicContact CD1-CB 4.14Å; V45-V205 PolarHBondContact N-O 2.75Å; V205-L207 HydrophobicContact CG1-CD2 3.56Å; V205-L207 HydrophobicContact CG1-CG 3.99Å
206I92.5Very high74.6Confident76 Ų7677.9 Ų77.939%0.3941%0.408SS..EExtended strand (participates in β ladder)trans-90.5122.9176.8-55169.3000108.2V45 P204 E208V45-I206 HydrophobicContact CB-CG1 4.27Å; V45-I206 HydrophobicContact CG1-CG2 4.45Å; V45-I206 WeakPolarHBondContact O-CA 3.24Å; P204-I206 PolarHBondContact O-N 3.23Å; I206-E208 HydrophobicContact CG2-CG 4.48Å
207L91.7Very high73.3Confident19 Ų1984.7 Ų84.710%0.09945%0.445CS..EExtended strand (participates in β ladder)trans-122.2109.1-175.9-59.1177.7000108.7I30 K33 A34 I44 V45 L47 V205I30-L207 HydrophobicContact CD1-CB 4.28Å; K33-L207 HydrophobicContact CB-CD1 4Å; K33-L207 HydrophobicContact CB-CD2 3.98Å; K33-L207 HydrophobicContact CB-CG 4.41Å; A34-L207 HydrophobicContact CB-CD1 3.67Å; I44-L207 HydrophobicContact CD1-CD1 4.44Å; I44-L207 HydrophobicContact CG2-CD1 3.99Å; V45-L207 PolarHBondContact O-N 3.36Å; L47-L207 PolarHBondContact N-O 3.07Å; V205-L207 HydrophobicContact CG1-CD2 3.56Å; V205-L207 HydrophobicContact CG1-CG 3.99Å
208E87.6Confident72.3Confident112 Ų11286.4 Ų86.452%0.52345%0.454SS..EExtended strand (participates in β ladder)trans-101.7124.7175.2-73.6176.1-162.700109.6K33 L47 I206K33-E208 PolarHBondContact NZ-O 3.34Å; L47-E208 HydrophobicContact CB-CG 3.93Å; L47-E208 HydrophobicContact CD1-CG 3.59Å; L47-E208 HydrophobicContact CG-CG 4.3Å; I206-E208 HydrophobicContact CG2-CG 4.48Å
209V75.6Confident71.8Confident12 Ų1281.4 Ų81.47%0.07343%0.433CS..EExtended strand (participates in β ladder)trans-127.5103.6175.6175.10000105.5E29 I30 K33 L47 A48E29-V209 HydrophobicContact CB-CG1 3.81Å; E29-V209 HydrophobicContact CB-CG2 4.44Å; E29-V209 HydrophobicContact CG-CG1 3.96Å; E29-V209 HydrophobicContact CG-CG2 4.04Å; I30-V209 HydrophobicContact CB-CB 4.41Å; I30-V209 HydrophobicContact CB-CG2 3.98Å; I30-V209 HydrophobicContact CD1-CB 4.42Å; I30-V209 HydrophobicContact CD1-CG2 3.78Å; I30-V209 HydrophobicContact CG1-CG2 4.48Å; K33-V209 HydrophobicContact CD-CG2 3.88Å; L47-V209 PolarHBondContact O-N 3.43Å; A48-V209 WeakPolarHBondContact CA-O 3.49Å; A48-V209 HydrophobicContact CB-CB 4.02Å; A48-V209 HydrophobicContact CB-CG1 4.49Å
210S59.6Low71.7Confident76 Ų7679.8 Ų79.853%0.53142%0.421SS..SBendtrans79.4113.5-167.384.10000116.2
211S45.4Very low72Confident86 Ų8680.2 Ų80.260%0.60142%0.422SS*.  trans-96.5137.3178.2520000110.5S214S211-S214 PolarHBondContact O-OG 3.41Å
212K41.1Very low72.3Confident194 Ų19479.6 Ų79.684%0.84342%0.419SS*.SBendtrans46.392.1163.6-70.5-178.6175.7179.50116.2S214K212-S214 WeakPolarHBondContact O-CA 3.33Å; K212-S214 PolarHBondContact O-N 3.1Å
213Y44.7Very low72.7Confident149 Ų14974.5 Ų74.558%0.58440%0.397SS*.  trans32.737.7159.8-65.3-60.2000115.3K215 I342Y213-K215 PolarHBondContact O-N 3.29Å; Y213-I342 HydrophobicContact CD1-CD1 3.48Å; Y213-I342 VanDerWaalsContact CD1-CD1 3.48Å; Y213-I342 HydrophobicContact CE1-CD1 3.07Å; Y213-I342 HydrophobicContact CE1-CG1 4.46Å
214S41Very low73Confident79 Ų7969.1 Ų69.155%0.55236%0.359SS*.  trans-76115.7-173.727.40000102.5S211 K212 V216S211-S214 PolarHBondContact O-OG 3.41Å; K212-S214 WeakPolarHBondContact O-CA 3.33Å; K212-S214 PolarHBondContact O-N 3.1Å; S214-V216 PolarHBondContact O-N 3.19Å
215K46.2Very low73.1Confident114 Ų11471.7 Ų71.750%0.49637%0.367SS..  trans-38.5125.3169.5-70.8178.1177.2-175.50106.2Y213 D217 E378Y213-K215 PolarHBondContact O-N 3.29Å; K215-D217 PolarHBondContact O-N 3.48Å; K215-E378 WeakPolarHBondContact CE-OE1 3.48Å; K215-E378 WeakPolarHBondContact CE-OE2 3.14Å; K215-E378 IonicContact NZ-OE1 2.97Å; K215-E378 PolarHBondContact NZ-OE1 2.72Å; K215-E378 IonicContact NZ-OE2 2.62Å
216V54.3Low73.2Confident49 Ų4969.4 Ų69.430%0.29735%0.353SS..  trans-56.4106.8156.1-1800000102.3S214 K218 L219 A349S214-V216 PolarHBondContact O-N 3.19Å; V216-K218 HydrophobicContact CG1-CB 4.48Å; V216-K218 PolarHBondContact O-N 3.31Å; V216-L219 HydrophobicContact CB-CB 4.02Å; V216-L219 WeakPolarHBondContact O-CB 3.17Å; V216-L219 PolarHBondContact O-N 2.92Å; V216-A349 HydrophobicContact CB-CB 4.48Å; V216-A349 HydrophobicContact CG1-CB 3.8Å; V216-A349 WeakPolarHBondContact CG1-O 3.48Å
217D58.4Low73.3Confident162 Ų16267.9 Ų67.987%0.86635%0.348SS*.THydrogen-bonded Turntrans-54.8-13.1-169.7-73.5-36.8000112.7K215K215-D217 PolarHBondContact O-N 3.48Å
218K66.6Low73.3Confident93 Ų9371 Ų7140%0.40437%0.365SS..THydrogen-bonded Turntrans-1023.2179.5-58.6-177.6174.3179.30114.9V216 G352 R353 G355V216-K218 HydrophobicContact CG1-CB 4.48Å; V216-K218 PolarHBondContact O-N 3.31Å; K218-G352 WeakPolarHBondContact CD-O 3.3Å; K218-G352 WeakPolarHBondContact CE-O 2.96Å; K218-G352 PolarHBondContact NZ-O 3.02Å; K218-R353 WeakPolarHBondContact CB-O 3.39Å; K218-G355 PolarHBondContact O-N 2.85Å
219L77.3Confident73.6Confident34 Ų3473.2 Ų73.218%0.17837%0.373CS..EExtended strand (participates in β ladder)trans-88.4108.5175.2175.568.8000110V216 H221 V345 T348 A349 A357V216-L219 HydrophobicContact CB-CB 4.02Å; V216-L219 WeakPolarHBondContact O-CB 3.17Å; V216-L219 PolarHBondContact O-N 2.92Å; L219-H221 HydrophobicContact CD2-CB 4.43Å; L219-H221 HydrophobicContact CG-CB 4.21Å; L219-H221 PolarHBondContact O-N 3.02Å; L219-V345 HydrophobicContact CD1-CB 4.5Å; L219-V345 HydrophobicContact CD2-CB 4.06Å; L219-V345 HydrophobicContact CD2-CG2 3.8Å; L219-T348 HydrophobicContact CD1-CG2 3.48Å; L219-T348 VanDerWaalsContact CD1-CG2 3.48Å; L219-A349 HydrophobicContact CB-CB 3.97Å; L219-A349 HydrophobicContact CD1-CB 4.29Å; L219-A357 HydrophobicContact CD1-CB 4.24Å
220D85.5Confident74.5Confident72 Ų7273.2 Ų73.239%0.38537%0.372SS..EExtended strand (participates in β ladder)trans-88.495.7169.6176.821.4000108.8G355 R356 A357D220-G355 PolarHBondContact N-O 3.28Å; D220-R356 CarbonylContact O-C 3.4Å; D220-R356 VanDerWaalsContact O-CA 3.25Å; D220-R356 WeakPolarHBondContact O-CA 3.46Å; D220-R356 IonicContact OD2-CZ 3.79Å; D220-R356 VanDerWaalsContact OD2-CZ 3.28Å; D220-R356 IonicContact OD2-NE 3.42Å; D220-R356 PolarHBondContact OD2-NE 3.36Å; D220-R356 IonicContact OD2-NH2 3.91Å; D220-R356 PolarHBondContact OD2-NH2 3.12Å; D220-A357 PolarHBondContact O-N 2.88Å
221H91.2Very high76.3Confident19 Ų1969.9 Ų69.99%0.08835%0.348CS..EExtended strand (participates in β ladder)trans-112.3136177.577138.6000111.7L219 Y341 A357L219-H221 HydrophobicContact CD2-CB 4.43Å; L219-H221 HydrophobicContact CG-CB 4.21Å; L219-H221 PolarHBondContact O-N 3.02Å; H221-Y341 AromaticContact ND1-CE1 3.64Å; H221-Y341 AromaticContact ND1-CZ 3.68Å; H221-Y341 PolarHBondContact ND1-OH 2.95Å; H221-A357 CarbonylContact C-O 3.59Å; H221-A357 VanDerWaalsContact CA-O 3.26Å; H221-A357 WeakPolarHBondContact CA-O 3.32Å; H221-A357 HydrophobicContact CB-CB 3.95Å
222A93.4Very high78.7Confident3 Ų366.6 Ų66.63%0.02532%0.324CS..EExtended strand (participates in β ladder)trans-150.1167.3-18000000111.2A357 I358 T359 P381 L383A222-A357 PolarHBondContact N-O 3.39Å; A222-I358 CarbonylContact O-C 3.59Å; A222-I358 WeakPolarHBondContact O-CA 3.36Å; A222-T359 PolarHBondContact O-N 3.12Å; A222-P381 CarbonylContact C-O 3.54Å; A222-P381 VanDerWaalsContact CA-O 3.24Å; A222-P381 WeakPolarHBondContact CA-O 3.36Å; A222-P381 HydrophobicContact CB-CB 4.36Å; A222-P381 VanDerWaalsContact CB-O 3.3Å; A222-P381 WeakPolarHBondContact CB-O 3.3Å; A222-L383 HydrophobicContact CB-CD1 3.84Å; A222-L383 HydrophobicContact CB-CD2 4.32Å; A222-L383 HydrophobicContact CB-CG 3.62Å
223F96Very high81.3Confident21 Ų2158.3 Ų58.39%0.09229%0.288CS..EExtended strand (participates in β ladder)trans-114.4153.3168.481.4-89.4000111.1F225 T359 V361 L369 I380 P381 Q382 L383F223-F225 HydrophobicContact CE2-CB 4.19Å; F223-T359 CarbonylContact C-O 3.49Å; F223-T359 VanDerWaalsContact CA-O 3.23Å; F223-T359 WeakPolarHBondContact CA-O 3.42Å; F223-T359 WeakPolarHBondContact CB-O 2.81Å; F223-V361 HydrophobicContact CB-CG2 3.78Å; F223-V361 HydrophobicContact CD2-CB 3.99Å; F223-V361 HydrophobicContact CD2-CG2 3.79Å; F223-V361 HydrophobicContact CG-CG2 4.07Å; F223-L369 HydrophobicContact CB-CD1 4.33Å; F223-L369 HydrophobicContact CD1-CD1 4.44Å; F223-L369 HydrophobicContact CD1-CD2 3.77Å; F223-L369 HydrophobicContact CD2-CD2 3.91Å; F223-L369 HydrophobicContact CE1-CD2 3.79Å; F223-L369 HydrophobicContact CE2-CD2 3.93Å; F223-L369 HydrophobicContact CG-CD1 4.39Å; F223-L369 HydrophobicContact CG-CD2 3.82Å; F223-L369 HydrophobicContact CZ-CD2 3.87Å; F223-I380 HydrophobicContact CB-CG2 4.42Å; F223-I380 HydrophobicContact CD1-CB 4.2Å; F223-I380 HydrophobicContact CD1-CG2 4.01Å; F223-I380 WeakPolarHBondContact CD1-O 3.3Å; F223-I380 VanDerWaalsContact CE1-O 3.22Å; F223-I380 WeakPolarHBondContact CE1-O 3.49Å; F223-P381 WeakPolarHBondContact CD1-O 3.46Å; F223-P381 PolarHBondContact N-O 3.29Å; F223-Q382 HydrophobicContact CD1-CB 4.29Å; F223-Q382 HydrophobicContact CD2-CG 4.31Å; F223-Q382 HydrophobicContact CE1-CB 3.61Å; F223-Q382 HydrophobicContact CE1-CG 4.18Å; F223-Q382 HydrophobicContact CE2-CB 4.07Å; F223-Q382 HydrophobicContact CE2-CG 3.67Å; F223-Q382 HydrophobicContact CZ-CB 3.49Å; F223-Q382 VanDerWaalsContact CZ-CB 3.49Å; F223-Q382 HydrophobicContact CZ-CG 3.6Å; F223-Q382 CarbonylContact O-C 3.58Å; F223-Q382 WeakPolarHBondContact O-CA 3.47Å; F223-L383 PolarHBondContact O-N 3.14Å
224V96.3Very high83.7Confident0 Ų051.7 Ų51.70%026%0.262CS..EExtended strand (participates in β ladder)trans-113.6131.6167.265.50000107.8I226 Y234 I358 T359 F360 V361 W385V224-I226 HydrophobicContact CG1-CB 4.43Å; V224-I226 HydrophobicContact CG1-CG2 4.18Å; V224-I226 HydrophobicContact CG2-CB 4.47Å; V224-Y234 HydrophobicContact CB-CE1 3.98Å; V224-Y234 HydrophobicContact CG1-CD1 3.93Å; V224-Y234 HydrophobicContact CG1-CE1 3.57Å; V224-Y234 HydrophobicContact CG2-CE1 3.97Å; V224-I358 HydrophobicContact CG1-CG2 4.32Å; V224-T359 PolarHBondContact N-O 3.09Å; V224-F360 HydrophobicContact CG1-CD1 3.49Å; V224-F360 VanDerWaalsContact CG1-CD1 3.49Å; V224-F360 HydrophobicContact CG1-CE1 4.04Å; V224-F360 HydrophobicContact CG1-CG 4.29Å; V224-V361 PolarHBondContact O-N 3.06Å; V224-W385 HydrophobicContact CG2-CB 3.74Å; V224-W385 HydrophobicContact CG2-CG 4.41Å
225F96.5Very high86.3Confident86 Ų8648 Ų4838%0.37724%0.235SC..EExtended strand (participates in β ladder)trans-87.9112.9170.4-169.8-115.9000109F223 V361 P363 V366F223-F225 HydrophobicContact CE2-CB 4.19Å; F225-V361 CarbonylContact C-O 3.54Å; F225-V361 WeakPolarHBondContact CA-O 3.49Å; F225-V361 HydrophobicContact CD2-CB 4.4Å; F225-V361 HydrophobicContact CD2-CG1 4.07Å; F225-V361 WeakPolarHBondContact CD2-O 3.41Å; F225-P363 HydrophobicContact CE2-CG 4.4Å; F225-P363 HydrophobicContact CZ-CB 4.48Å; F225-P363 HydrophobicContact CZ-CG 3.92Å; F225-V366 HydrophobicContact CD2-CG2 4.13Å; F225-V366 HydrophobicContact CE2-CG2 3.37Å; F225-V366 HydrophobicContact CZ-CG2 4.16Å
226I95.7Very high88.6Confident1 Ų142.5 Ų42.51%0.00521%0.212CC..  trans-138.9141.3-168.4-169.7170.6000111.4V224 E230 K231 Y234 F360 V361 T362 W385V224-I226 HydrophobicContact CG1-CB 4.43Å; V224-I226 HydrophobicContact CG1-CG2 4.18Å; V224-I226 HydrophobicContact CG2-CB 4.47Å; I226-E230 HydrophobicContact CD1-CB 3.86Å; I226-E230 HydrophobicContact CG1-CB 3.8Å; I226-K231 HydrophobicContact CG2-CG 4.06Å; I226-Y234 HydrophobicContact CD1-CD1 4.06Å; I226-Y234 HydrophobicContact CD1-CG 3.76Å; I226-F360 HydrophobicContact CG2-CB 4.21Å; I226-F360 HydrophobicContact CG2-CG 4.5Å; I226-V361 PolarHBondContact N-O 2.83Å; I226-T362 WeakPolarHBondContact O-CA 3.48Å; I226-W385 HydrophobicContact CG1-CD2 4.21Å; I226-W385 HydrophobicContact CG1-CG 4.29Å
227P94.7Very high90.4Very high44 Ų4443.9 Ų43.929%0.28621%0.212SC..  trans-60142.4169.8-21.933.4000111.3K229 E230 W385P227-K229 VanDerWaalsContact C-N 3.25Å; P227-K229 HydrophobicContact CB-CG 4.31Å; P227-K229 PolarHBondContact O-N 3.27Å; P227-E230 HydrophobicContact CB-CB 4.48Å; P227-E230 HydrophobicContact CB-CG 4.01Å; P227-E230 HydrophobicContact CG-CG 4.16Å; P227-E230 PolarHBondContact O-N 3.36Å; P227-W385 HydrophobicContact CG-CE3 4.5Å; P227-W385 HydrophobicContact CG-CH2 3.73Å; P227-W385 HydrophobicContact CG-CZ2 4.46Å; P227-W385 HydrophobicContact CG-CZ3 3.74Å
228D93.1Very high92Very high84 Ų8436.9 Ų36.945%0.44918%0.175SC..G310 helixtrans-57.5-38.5-175.4-168.570.5000112.9E230 K231 T362 Y364D228-E230 PolarHBondContact O-N 3.47Å; D228-K231 WeakPolarHBondContact O-CB 3.48Å; D228-K231 WeakPolarHBondContact O-CG 3.49Å; D228-K231 PolarHBondContact O-N 2.86Å; D228-K231 WeakPolarHBondContact OD1-CD 3.14Å; D228-T362 HydrophobicContact CB-CG2 4.1Å; D228-Y364 HydrophobicContact CB-CE2 4.48Å
229K93.7Very high93.2Very high159 Ų15932.7 Ų32.769%0.69116%0.157SC*.G310 helixtrans-64.6-1917771180-174.2172.90114.3P227P227-K229 VanDerWaalsContact C-N 3.25Å; P227-K229 HydrophobicContact CB-CG 4.31Å; P227-K229 PolarHBondContact O-N 3.27Å
230E94.8Very high93.8Very high12 Ų1233.4 Ų33.46%0.05616%0.16CC..G310 helixtrans-97.3-5.9-175.9-58.5-65.7149.100112.8I226 P227 D228 D232 F233 Y234 W385 R396I226-E230 HydrophobicContact CD1-CB 3.86Å; I226-E230 HydrophobicContact CG1-CB 3.8Å; P227-E230 HydrophobicContact CB-CB 4.48Å; P227-E230 HydrophobicContact CB-CG 4.01Å; P227-E230 HydrophobicContact CG-CG 4.16Å; P227-E230 PolarHBondContact O-N 3.36Å; D228-E230 PolarHBondContact O-N 3.47Å; E230-D232 PolarHBondContact O-N 2.76Å; E230-F233 PolarHBondContact O-N 2.71Å; E230-F233 VanDerWaalsContact OE2-CD2 3.3Å; E230-F233 WeakPolarHBondContact OE2-CD2 3.18Å; E230-Y234 PolarHBondContact O-N 2.83Å; E230-W385 HydrophobicContact CB-CZ2 3.89Å; E230-W385 HydrophobicContact CG-CH2 3.98Å; E230-W385 HydrophobicContact CG-CZ2 3.63Å; E230-R396 IonicContact OE2-CZ 2.69Å; E230-R396 IonicContact OE2-NH1 3.67Å; E230-R396 IonicContact OE2-NH2 3.16Å; E230-R396 PolarHBondContact OE2-NH2 3.32Å
231K95.8Very high93.8Very high7 Ų733 Ų333%0.0316%0.163CC..Hα-helixtrans-59.3-42.7-176.2-71.4175.868.8-177.80113.1I226 D228 Y234 L235 Y326 D327 F360 T362I226-K231 HydrophobicContact CG2-CG 4.06Å; D228-K231 WeakPolarHBondContact O-CB 3.48Å; D228-K231 WeakPolarHBondContact O-CG 3.49Å; D228-K231 PolarHBondContact O-N 2.86Å; D228-K231 WeakPolarHBondContact OD1-CD 3.14Å; K231-Y234 PolarHBondContact O-N 2.94Å; K231-L235 VanDerWaalsContact O-CB 3.3Å; K231-L235 WeakPolarHBondContact O-CB 3.47Å; K231-L235 PolarHBondContact O-N 3.2Å; K231-Y326 HydrophobicContact CB-CE2 3.73Å; K231-Y326 WeakPolarHBondContact CB-OH 3.24Å; K231-Y326 HydrophobicContact CD-CE1 4.4Å; K231-Y326 VanDerWaalsContact CE-CE1 3.43Å; K231-Y326 WeakPolarHBondContact CE-O 3.47Å; K231-Y326 VanDerWaalsContact NZ-CE1 3.27Å; K231-Y326 PolarHBondContact NZ-O 3.49Å; K231-D327 IonicContact NZ-OD1 3.51Å; K231-D327 PolarHBondContact NZ-OD1 2.9Å; K231-F360 HydrophobicContact CB-CD2 4.02Å; K231-F360 HydrophobicContact CB-CE2 4.37Å; K231-F360 HydrophobicContact CG-CD2 4.02Å; K231-F360 WeakPolarHBondContact O-CE2 3.28Å; K231-T362 HydrophobicContact CD-CG2 3.76Å; K231-T362 HydrophobicContact CG-CG2 4.36Å
232D96.2Very high93.1Very high17 Ų1733.6 Ų33.69%0.09117%0.17CC..Hα-helixtrans-65.4-42.5-179.8-73.2-31.9000110.8E230 L235 I236 R262 M266 Y326 V399E230-D232 PolarHBondContact O-N 2.76Å; D232-L235 WeakPolarHBondContact O-CB 3.49Å; D232-L235 PolarHBondContact O-N 3.39Å; D232-I236 WeakPolarHBondContact O-CG1 3.41Å; D232-I236 PolarHBondContact O-N 3.06Å; D232-I236 VanDerWaalsContact O-N 3.12Å; D232-R262 VanDerWaalsContact CG-NH1 3.33Å; D232-R262 IonicContact OD1-CZ 3.36Å; D232-R262 IonicContact OD1-NH1 2.72Å; D232-R262 PolarHBondContact OD1-NH1 3.34Å; D232-R262 IonicContact OD1-NH2 3.15Å; D232-R262 PolarHBondContact OD1-NH2 3.14Å; D232-R262 IonicContact OD2-CZ 3.1Å; D232-R262 IonicContact OD2-NH1 3.64Å; D232-R262 PolarHBondContact OD2-NH1 3.18Å; D232-R262 IonicContact OD2-NH2 3.45Å; D232-M266 HydrophobicContact CB-CE 4.14Å; D232-M266 HydrophobicContact CB-SD 4.09Å; D232-Y326 PolarHBondContact OD1-OH 3.39Å; D232-V399 HydrophobicContact CB-CG1 4.23Å
233F95.7Very high91.8Very high20 Ų2037.6 Ų37.69%0.08819%0.187CC..Hα-helixtrans-63-46176.1-54.8-59.8000111.7E230 L235 I236 Y237 L391 R396 V399 I400E230-F233 PolarHBondContact O-N 2.71Å; E230-F233 VanDerWaalsContact OE2-CD2 3.3Å; E230-F233 WeakPolarHBondContact OE2-CD2 3.18Å; F233-L235 VanDerWaalsContact C-N 3.32Å; F233-L235 PolarHBondContact O-N 3.48Å; F233-I236 PolarHBondContact O-N 2.88Å; F233-Y237 PolarHBondContact O-N 3.02Å; F233-L391 HydrophobicContact CB-CD1 3.92Å; F233-L391 HydrophobicContact CD1-CD1 4.27Å; F233-L391 WeakPolarHBondContact O-CD1 3.33Å; F233-R396 HydrophobicContact CD1-CB 4.48Å; F233-R396 HydrophobicContact CD1-CG 4.07Å; F233-R396 HydrophobicContact CE1-CB 4.24Å; F233-R396 HydrophobicContact CE1-CG 4.27Å; F233-V399 HydrophobicContact CD1-CB 3.93Å; F233-V399 HydrophobicContact CD1-CG1 3.7Å; F233-V399 HydrophobicContact CD1-CG2 4.44Å; F233-V399 HydrophobicContact CE1-CB 3.87Å; F233-V399 HydrophobicContact CE1-CG1 3.75Å; F233-I400 HydrophobicContact CE1-CD1 4.39Å; F233-I400 HydrophobicContact CE1-CG1 3.87Å; F233-I400 HydrophobicContact CZ-CD1 4.04Å; F233-I400 HydrophobicContact CZ-CG1 3.66Å
234Y95Very high89.8Confident10 Ų1042.1 Ų42.14%0.03922%0.221CC..Hα-helixtrans-69.1-31.8-180-167.1-113.8000112.5V224 I226 E230 K231 Y237 L238 I358 F360 P386V224-Y234 HydrophobicContact CB-CE1 3.98Å; V224-Y234 HydrophobicContact CG1-CD1 3.93Å; V224-Y234 HydrophobicContact CG1-CE1 3.57Å; V224-Y234 HydrophobicContact CG2-CE1 3.97Å; I226-Y234 HydrophobicContact CD1-CD1 4.06Å; I226-Y234 HydrophobicContact CD1-CG 3.76Å; E230-Y234 PolarHBondContact O-N 2.83Å; K231-Y234 PolarHBondContact O-N 2.94Å; Y234-Y237 AromaticContact CD2-CD1 3.72Å; Y234-Y237 HydrophobicContact CD2-CD1 3.72Å; Y234-Y237 HydrophobicContact CD2-CE1 4.46Å; Y234-Y237 HydrophobicContact CD2-CG 4.44Å; Y234-Y237 AromaticContact CE2-CD1 3.52Å; Y234-Y237 HydrophobicContact CE2-CD1 3.52Å; Y234-Y237 AromaticContact CE2-CE1 3.85Å; Y234-Y237 HydrophobicContact CE2-CE1 3.85Å; Y234-Y237 PolarHBondContact O-N 3.5Å; Y234-L238 HydrophobicContact CD1-CD1 4Å; Y234-L238 HydrophobicContact CD1-CG 4.22Å; Y234-L238 HydrophobicContact CE1-CD1 3.66Å; Y234-L238 HydrophobicContact CE1-CD2 4.12Å; Y234-L238 HydrophobicContact CE1-CG 3.89Å; Y234-L238 HydrophobicContact CE2-CD2 4.47Å; Y234-L238 WeakPolarHBondContact O-CG 3.26Å; Y234-L238 PolarHBondContact O-N 3.17Å; Y234-I358 HydrophobicContact CE1-CG2 4.5Å; Y234-F360 HydrophobicContact CD1-CD1 4.17Å; Y234-F360 AromaticContact CD1-CE1 3.41Å; Y234-F360 HydrophobicContact CD1-CE1 3.41Å; Y234-F360 VanDerWaalsContact CD1-CE1 3.41Å; Y234-F360 HydrophobicContact CD1-CE2 4.45Å; Y234-F360 AromaticContact CD1-CZ 3.57Å; Y234-F360 HydrophobicContact CD1-CZ 3.57Å; Y234-F360 HydrophobicContact CE1-CD1 4.46Å; Y234-F360 AromaticContact CE1-CE1 3.76Å; Y234-F360 HydrophobicContact CE1-CE1 3.76Å; Y234-F360 HydrophobicContact CE1-CZ 4.31Å; Y234-F360 HydrophobicContact CG-CZ 4.45Å; Y234-P386 HydrophobicContact CD2-CG 4.27Å; Y234-P386 HydrophobicContact CE2-CG 3.82Å
235L95.2Very high87.9Confident0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-57.4-49.7169.9173.562.8000111.1K231 D232 F233 L238 L239 I252 I263 M266 I324 Y326 F360K231-L235 VanDerWaalsContact O-CB 3.3Å; K231-L235 WeakPolarHBondContact O-CB 3.47Å; K231-L235 PolarHBondContact O-N 3.2Å; D232-L235 WeakPolarHBondContact O-CB 3.49Å; D232-L235 PolarHBondContact O-N 3.39Å; F233-L235 VanDerWaalsContact C-N 3.32Å; F233-L235 PolarHBondContact O-N 3.48Å; L235-L238 PolarHBondContact O-N 3.4Å; L235-L239 HydrophobicContact CD1-CD1 4.06Å; L235-L239 HydrophobicContact CD1-CG 4.27Å; L235-L239 HydrophobicContact CG-CD1 4.08Å; L235-L239 VanDerWaalsContact O-CG 3.3Å; L235-L239 WeakPolarHBondContact O-CG 3.46Å; L235-L239 PolarHBondContact O-N 3.26Å; L235-I252 HydrophobicContact CD1-CD1 3.73Å; L235-I252 HydrophobicContact CD1-CG1 4.11Å; L235-I252 HydrophobicContact CD1-CG2 4.44Å; L235-I252 HydrophobicContact CD2-CD1 4.28Å; L235-I263 HydrophobicContact CD2-CD1 4.49Å; L235-I263 HydrophobicContact CD2-CG2 3.84Å; L235-M266 HydrophobicContact CD2-CE 4.29Å; L235-I324 HydrophobicContact CD1-CD1 3.55Å; L235-I324 HydrophobicContact CD1-CG2 4.1Å; L235-Y326 HydrophobicContact CD2-CD2 4.09Å; L235-Y326 HydrophobicContact CD2-CE2 4.21Å; L235-F360 HydrophobicContact CB-CE2 4.05Å; L235-F360 HydrophobicContact CB-CZ 4.27Å
236I94.5Very high86.1Confident0 Ų049.5 Ų49.50%027%0.272CS..Hα-helixtrans-63.7-43.8178.8-62.1-51.5000111.1D232 F233 L238 L239 L240 M266 L267 L270 I274 L391 L395 V399D232-I236 WeakPolarHBondContact O-CG1 3.41Å; D232-I236 PolarHBondContact O-N 3.06Å; D232-I236 VanDerWaalsContact O-N 3.12Å; F233-I236 PolarHBondContact O-N 2.88Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 2.9Å; I236-L239 HydrophobicContact CD1-CD1 4.44Å; I236-L239 PolarHBondContact O-N 3.45Å; I236-L240 HydrophobicContact CG2-CD1 3.87Å; I236-L240 HydrophobicContact CG2-CG 4.29Å; I236-L240 WeakPolarHBondContact O-CG 3.3Å; I236-L240 PolarHBondContact O-N 3.08Å; I236-M266 HydrophobicContact CD1-CE 4.33Å; I236-L267 HydrophobicContact CD1-CD2 3.6Å; I236-L270 HydrophobicContact CD1-CD1 3.82Å; I236-L270 HydrophobicContact CG1-CD1 4.13Å; I236-I274 HydrophobicContact CD1-CD1 3.62Å; I236-L391 HydrophobicContact CB-CD1 4.12Å; I236-L391 HydrophobicContact CG2-CD1 4.15Å; I236-L391 HydrophobicContact CG2-CD2 4.37Å; I236-L395 HydrophobicContact CG2-CD2 4.37Å; I236-V399 HydrophobicContact CB-CG2 4.42Å; I236-V399 HydrophobicContact CG1-CG2 3.88Å; I236-V399 HydrophobicContact CG2-CG2 4.4Å
237Y93Very high84.7Confident77 Ų7757.9 Ų57.930%0.30231%0.309SS..Hα-helixtrans-54.9-47.1175.1169.7-102.6000112.2F233 Y234 L240 S241 P386 C390F233-Y237 PolarHBondContact O-N 3.02Å; Y234-Y237 AromaticContact CD2-CD1 3.72Å; Y234-Y237 HydrophobicContact CD2-CD1 3.72Å; Y234-Y237 HydrophobicContact CD2-CE1 4.46Å; Y234-Y237 HydrophobicContact CD2-CG 4.44Å; Y234-Y237 AromaticContact CE2-CD1 3.52Å; Y234-Y237 HydrophobicContact CE2-CD1 3.52Å; Y234-Y237 AromaticContact CE2-CE1 3.85Å; Y234-Y237 HydrophobicContact CE2-CE1 3.85Å; Y234-Y237 PolarHBondContact O-N 3.5Å; Y237-L240 PolarHBondContact O-N 3.05Å; Y237-S241 VanDerWaalsContact O-CB 3.32Å; Y237-S241 WeakPolarHBondContact O-CB 3.34Å; Y237-S241 PolarHBondContact O-N 3.32Å; Y237-S241 PolarHBondContact O-OG 2.85Å; Y237-P386 HydrophobicContact CE1-CG 4.36Å; Y237-C390 HydrophobicContact CD1-CB 4.48Å; Y237-C390 HydrophobicContact CD2-CB 3.95Å; Y237-C390 WeakPolarHBondContact CD2-O 3.38Å; Y237-C390 HydrophobicContact CE2-CB 4.37Å; Y237-C390 HydrophobicContact CG-CB 4Å
238L92Very high84Confident15 Ų1557.1 Ų57.18%0.07930%0.304CS..Hα-helixtrans-63.8-43.4178.4-72.3-179.3000112.4Y234 L235 I236 L240 S241 S242 I324 I358 F360Y234-L238 HydrophobicContact CD1-CD1 4Å; Y234-L238 HydrophobicContact CD1-CG 4.22Å; Y234-L238 HydrophobicContact CE1-CD1 3.66Å; Y234-L238 HydrophobicContact CE1-CD2 4.12Å; Y234-L238 HydrophobicContact CE1-CG 3.89Å; Y234-L238 HydrophobicContact CE2-CD2 4.47Å; Y234-L238 WeakPolarHBondContact O-CG 3.26Å; Y234-L238 PolarHBondContact O-N 3.17Å; L235-L238 PolarHBondContact O-N 3.4Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 2.9Å; L238-L240 VanDerWaalsContact C-N 3.32Å; L238-L240 PolarHBondContact O-N 2.92Å; L238-S241 PolarHBondContact O-N 3.09Å; L238-S242 WeakPolarHBondContact O-CB 3.46Å; L238-S242 PolarHBondContact O-N 2.95Å; L238-S242 PolarHBondContact O-OG 2.88Å; L238-I324 HydrophobicContact CB-CD1 4.18Å; L238-I324 HydrophobicContact CD1-CD1 4.27Å; L238-I358 HydrophobicContact CD1-CB 4.21Å; L238-I358 HydrophobicContact CD1-CD1 3.7Å; L238-I358 HydrophobicContact CD1-CG2 4Å; L238-I358 HydrophobicContact CD2-CD1 3.51Å; L238-I358 HydrophobicContact CG-CD1 4.24Å; L238-F360 HydrophobicContact CD1-CE1 3.6Å; L238-F360 HydrophobicContact CD1-CZ 3.83Å
239L91.9Very high83.7Confident5 Ų555.3 Ų55.33%0.02629%0.291CS..Hα-helixtrans-65-35.8179.2-69.9171.3000112.5L235 I236 S242 I252 L267 I274 I304 I324L235-L239 HydrophobicContact CD1-CD1 4.06Å; L235-L239 HydrophobicContact CD1-CG 4.27Å; L235-L239 HydrophobicContact CG-CD1 4.08Å; L235-L239 VanDerWaalsContact O-CG 3.3Å; L235-L239 WeakPolarHBondContact O-CG 3.46Å; L235-L239 PolarHBondContact O-N 3.26Å; I236-L239 HydrophobicContact CD1-CD1 4.44Å; I236-L239 PolarHBondContact O-N 3.45Å; L239-S242 PolarHBondContact O-OG 3.11Å; L239-I252 HydrophobicContact CD1-CD1 4.34Å; L239-L267 HydrophobicContact CD1-CD2 3.64Å; L239-I274 HydrophobicContact CB-CG2 4.16Å; L239-I304 HydrophobicContact CD1-CD1 4Å; L239-I304 HydrophobicContact CD2-CD1 3.93Å; L239-I304 HydrophobicContact CD2-CG1 4.25Å; L239-I304 HydrophobicContact CG-CD1 4.5Å; L239-I324 HydrophobicContact CD2-CD1 4.19Å; L239-I324 HydrophobicContact CG-CD1 4.41Å
240L89.7Confident83.6Confident49 Ų4948 Ų4826%0.25726%0.26SS..Hα-helixtrans-71.7-40.9174.5-69.1174.4000111.6I236 Y237 L238 S242 V273 L391 L395I236-L240 HydrophobicContact CG2-CD1 3.87Å; I236-L240 HydrophobicContact CG2-CG 4.29Å; I236-L240 WeakPolarHBondContact O-CG 3.3Å; I236-L240 PolarHBondContact O-N 3.08Å; Y237-L240 PolarHBondContact O-N 3.05Å; L238-L240 VanDerWaalsContact C-N 3.32Å; L238-L240 PolarHBondContact O-N 2.92Å; L240-S242 VanDerWaalsContact C-N 3.32Å; L240-S242 PolarHBondContact O-N 3.07Å; L240-V273 HydrophobicContact CD2-CG1 4.49Å; L240-L391 HydrophobicContact CD1-CD2 4.29Å; L240-L395 HydrophobicContact CD1-CD2 3.64Å
241S85.5Confident83.5Confident64 Ų6447.4 Ų47.445%0.44826%0.257SS..Hα-helixtrans-71.3-25.4-178.8-56.50000113.1Y237 L238 K243Y237-S241 VanDerWaalsContact O-CB 3.32Å; Y237-S241 WeakPolarHBondContact O-CB 3.34Å; Y237-S241 PolarHBondContact O-N 3.32Å; Y237-S241 PolarHBondContact O-OG 2.85Å; L238-S241 PolarHBondContact O-N 3.09Å; S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 2.88Å
242S76.9Confident83.4Confident32 Ų3247.1 Ų47.122%0.22426%0.256CS..THydrogen-bonded Turntrans-84.51.6-177.765.30000114.6L238 L239 L240 S244L238-S242 WeakPolarHBondContact O-CB 3.46Å; L238-S242 PolarHBondContact O-N 2.95Å; L238-S242 PolarHBondContact O-OG 2.88Å; L239-S242 PolarHBondContact O-OG 3.11Å; L240-S242 VanDerWaalsContact C-N 3.32Å; L240-S242 PolarHBondContact O-N 3.07Å; S242-S244 PolarHBondContact O-N 2.95Å
243K64.9Low83.3Confident87 Ų8746.3 Ų46.338%0.37825%0.252SS..  trans-72.340-177-67.3-169.1-174.6179.80114.3S241 A245 V273 I274 S275S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 2.88Å; K243-A245 PolarHBondContact O-N 3.2Å; K243-V273 PolarHBondContact NZ-O 3.04Å; K243-I274 WeakPolarHBondContact CE-O 3.49Å; K243-I274 PolarHBondContact NZ-O 3.26Å; K243-S275 PolarHBondContact NZ-OG 3.28Å; K243-S275 VanDerWaalsContact NZ-OG 3.09Å
244S54.8Low83.3Confident116 Ų11645.4 Ų45.481%0.81125%0.248SC*.SBendtrans-73.2-7.2-179-50.10000113.6S242S242-S244 PolarHBondContact O-N 2.95Å
245A55.8Low83.1Confident59 Ų5947.2 Ų47.249%0.48826%0.262SS..SBendtrans-154.2144.6174.400000112.6K243 K247 S248K243-A245 PolarHBondContact O-N 3.2Å; A245-K247 PolarHBondContact O-N 3.4Å; A245-S248 PolarHBondContact O-N 3.38Å; A245-S248 PolarHBondContact O-OG 3.12Å; A245-S248 VanDerWaalsContact O-OG 3.11Å
246D58.7Low82.9Confident181 Ų18150 Ų5097%0.96828%0.279SS*.THydrogen-bonded Turntrans-56.2-11.3175.4-82.1-20.2000114.7
247K67.6Low82.7Confident178 Ų17853.2 Ų53.277%0.77429%0.291SS*.THydrogen-bonded Turntrans-115.712-177.5-66.7-178.9179.1174.70113.8A245 R249A245-K247 PolarHBondContact O-N 3.4Å; K247-R249 PolarHBondContact O-N 3.08Å
248S79Confident82.7Confident28 Ų2855.6 Ų55.620%0.19630%0.3CS..  trans-65.4131.5-177.857.40000111.9A245 D321A245-S248 PolarHBondContact O-N 3.38Å; A245-S248 PolarHBondContact O-OG 3.12Å; A245-S248 VanDerWaalsContact O-OG 3.11Å; S248-D321 WeakPolarHBondContact CA-OD2 3.34Å
249R87.9Confident82.8Confident46 Ų4657 Ų5717%0.17431%0.306CS..  trans-115.3136.1177.6-63.1-170.5-167.693.8-0.7110.9K247 F297 R298 S303 D319 D321 L322K247-R249 PolarHBondContact O-N 3.08Å; R249-F297 HydrophobicContact CB-CE2 4.05Å; R249-F297 HydrophobicContact CB-CZ 3.88Å; R249-F297 HydrophobicContact CG-CE2 4.45Å; R249-F297 HydrophobicContact CG-CZ 4.47Å; R249-F297 PolarHBondContact NE-O 3.4Å; R249-R298 PolarHBondContact NH2-O 3.01Å; R249-S303 WeakPolarHBondContact CA-O 3.43Å; R249-D319 PolarHBondContact NH1-O 3.26Å; R249-D321 PolarHBondContact N-OD2 3.26Å; R249-D321 PolarHBondContact O-N 3.29Å; R249-L322 PolarHBondContact O-N 2.76Å
250S90.7Very high83Confident5 Ų556.7 Ų56.74%0.03530%0.304CS..EExtended strand (participates in β ladder)trans-123.6139.1-179.8-63.50000112.1S303 I304 L305 L322S250-S303 PolarHBondContact N-O 3.44Å; S250-I304 WeakPolarHBondContact O-CA 3.24Å; S250-L305 PolarHBondContact O-N 2.86Å; S250-L322 CarbonylContact C-O 3.6Å; S250-L322 VanDerWaalsContact CA-O 3.23Å; S250-L322 WeakPolarHBondContact CA-O 3.41Å
251I92.2Very high83.2Confident0 Ų056.7 Ų56.70%030%0.302CS..EExtended strand (participates in β ladder)trans-115.8126.5170-60.3-178000109.4F253 F297 L305 F317 V320 L322 V323 I324 R347I251-F253 HydrophobicContact CB-CE2 4.47Å; I251-F253 HydrophobicContact CG2-CD1 4.49Å; I251-F253 HydrophobicContact CG2-CD2 4.09Å; I251-F253 HydrophobicContact CG2-CE1 4.03Å; I251-F253 HydrophobicContact CG2-CE2 3.63Å; I251-F253 HydrophobicContact CG2-CZ 3.6Å; I251-F297 HydrophobicContact CD1-CE1 4.18Å; I251-F297 HydrophobicContact CD1-CZ 4.21Å; I251-F297 HydrophobicContact CG1-CE1 4.19Å; I251-F297 HydrophobicContact CG1-CZ 3.73Å; I251-L305 CarbonylContact C-O 3.59Å; I251-L305 WeakPolarHBondContact CA-O 3.33Å; I251-L305 HydrophobicContact CG1-CB 4.4Å; I251-F317 HydrophobicContact CD1-CB 4.06Å; I251-F317 HydrophobicContact CD1-CD1 3.96Å; I251-F317 HydrophobicContact CD1-CD2 3.52Å; I251-F317 HydrophobicContact CD1-CE1 4.27Å; I251-F317 HydrophobicContact CD1-CE2 3.86Å; I251-F317 HydrophobicContact CD1-CG 3.56Å; I251-F317 HydrophobicContact CD1-CZ 4.22Å; I251-V320 HydrophobicContact CB-CG1 4.39Å; I251-V320 HydrophobicContact CD1-CG1 4.21Å; I251-V320 HydrophobicContact CD1-CG2 3.68Å; I251-V320 HydrophobicContact CG1-CG1 3.89Å; I251-V320 HydrophobicContact CG1-CG2 4.06Å; I251-L322 PolarHBondContact N-O 3.04Å; I251-V323 CarbonylContact O-C 3.57Å; I251-V323 WeakPolarHBondContact O-CA 3.32Å; I251-I324 PolarHBondContact O-N 3.04Å; I251-R347 HydrophobicContact CD1-CB 4.44Å
252I94.7Very high83.7Confident0 Ų053.8 Ų53.80%028%0.282CS..EExtended strand (participates in β ladder)trans-109118.6176.9-56.4164.4000108.7L235 L239 L267 I304 L305 V306 A307 I324L235-I252 HydrophobicContact CD1-CD1 3.73Å; L235-I252 HydrophobicContact CD1-CG1 4.11Å; L235-I252 HydrophobicContact CD1-CG2 4.44Å; L235-I252 HydrophobicContact CD2-CD1 4.28Å; L239-I252 HydrophobicContact CD1-CD1 4.34Å; I252-L267 HydrophobicContact CD1-CD1 3.96Å; I252-I304 HydrophobicContact CD1-CG2 3.48Å; I252-I304 VanDerWaalsContact CD1-CG2 3.48Å; I252-I304 HydrophobicContact CG1-CG2 4.2Å; I252-L305 PolarHBondContact N-O 3.37Å; I252-V306 HydrophobicContact CB-CG1 4.34Å; I252-V306 HydrophobicContact CB-CG2 4.26Å; I252-V306 HydrophobicContact CD1-CG2 4.11Å; I252-V306 HydrophobicContact CG2-CG1 4.41Å; I252-V306 CarbonylContact O-C 3.59Å; I252-V306 WeakPolarHBondContact O-CA 3.3Å; I252-A307 PolarHBondContact O-N 2.91Å; I252-I324 CarbonylContact C-O 3.58Å; I252-I324 VanDerWaalsContact CA-O 3.31Å; I252-I324 WeakPolarHBondContact CA-O 3.37Å; I252-I324 HydrophobicContact CG1-CB 4.27Å; I252-I324 HydrophobicContact CG1-CD1 4.41Å
253F94.9Very high84.7Confident1 Ų152.2 Ų52.20%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-96125.9177.8-72.3-70.8000112.4I251 A307 S312 V323 I324 Y326 D327 R344 R347I251-F253 HydrophobicContact CB-CE2 4.47Å; I251-F253 HydrophobicContact CG2-CD1 4.49Å; I251-F253 HydrophobicContact CG2-CD2 4.09Å; I251-F253 HydrophobicContact CG2-CE1 4.03Å; I251-F253 HydrophobicContact CG2-CE2 3.63Å; I251-F253 HydrophobicContact CG2-CZ 3.6Å; F253-A307 WeakPolarHBondContact CA-O 3.39Å; F253-A307 HydrophobicContact CD1-CB 4.17Å; F253-A307 HydrophobicContact CE1-CB 4.02Å; F253-S312 VanDerWaalsContact CE1-OG 3.31Å; F253-S312 WeakPolarHBondContact CE1-OG 3.45Å; F253-V323 HydrophobicContact CD2-CG1 3.82Å; F253-V323 HydrophobicContact CE2-CG1 3.79Å; F253-I324 PolarHBondContact N-O 2.8Å; F253-Y326 WeakPolarHBondContact O-CB 3.35Å; F253-Y326 PolarHBondContact O-N 3.11Å; F253-D327 PolarHBondContact O-N 3.32Å; F253-R344 HydrophobicContact CD1-CG 4.11Å; F253-R344 HydrophobicContact CD2-CB 3.74Å; F253-R344 HydrophobicContact CD2-CG 3.64Å; F253-R344 HydrophobicContact CE1-CG 4.19Å; F253-R344 HydrophobicContact CE2-CB 3.63Å; F253-R344 HydrophobicContact CE2-CG 3.71Å; F253-R344 HydrophobicContact CG-CB 4.43Å; F253-R344 HydrophobicContact CG-CG 3.84Å; F253-R344 HydrophobicContact CZ-CB 4.28Å; F253-R344 HydrophobicContact CZ-CG 3.99Å; F253-R347 HydrophobicContact CE2-CG 4.38Å; F253-R347 HydrophobicContact CZ-CG 4.14Å
254T94.8Very high86.2Confident0 Ų048.4 Ų48.40%026%0.255CS..EExtended strand (participates in β ladder)trans-119.6152177.358.30000111T256 E259 S260 I263 V306 A307 Y326T254-T256 PolarHBondContact OG1-O 2.85Å; T254-E259 HydrophobicContact CG2-CB 4.21Å; T254-S260 WeakPolarHBondContact OG1-CB 3.43Å; T254-S260 PolarHBondContact OG1-N 3.43Å; T254-I263 HydrophobicContact CG2-CD1 3.53Å; T254-V306 HydrophobicContact CG2-CG1 3.88Å; T254-A307 PolarHBondContact N-O 2.9Å; T254-A307 PolarHBondContact OG1-O 3.07Å; T254-Y326 HydrophobicContact CG2-CD1 4.37Å
255S89.8Confident88.1Confident48 Ų4844.4 Ų44.434%0.33623%0.229SC..SBendtrans-74.9-27.4-179.5-66.10000113.2D327S255-D327 WeakPolarHBondContact CB-OD2 3.48Å; S255-D327 PolarHBondContact N-OD2 3.2Å; S255-D327 WeakPolarHBondContact OG-CB 3.49Å; S255-D327 PolarHBondContact OG-OD2 2.91Å
256T91.1Very high90Very high60 Ų6041.6 Ų41.637%0.36821%0.206SC..SBendtrans-130.4150.1-17478.30000111.9T254 R258 E259 S260T254-T256 PolarHBondContact OG1-O 2.85Å; T256-R258 PolarHBondContact O-N 2.8Å; T256-E259 PolarHBondContact O-N 3.34Å; T256-E259 PolarHBondContact OG1-N 3.25Å; T256-E259 VanDerWaalsContact OG1-N 3.15Å; T256-S260 PolarHBondContact O-N 3.42Å
257W91.3Very high91.8Very high67 Ų6733 Ų3325%0.25416%0.16SC..Hα-helixtrans-63.7-26.317566.1-96.4000112.6F261 N282 V284W257-F261 AromaticContact CE3-CD2 3.58Å; W257-F261 HydrophobicContact CE3-CD2 3.58Å; W257-F261 AromaticContact CE3-CE2 3.64Å; W257-F261 HydrophobicContact CE3-CE2 3.64Å; W257-F261 AromaticContact CZ3-CD2 3.92Å; W257-F261 HydrophobicContact CZ3-CD2 3.92Å; W257-F261 HydrophobicContact CZ3-CE2 4.08Å; W257-F261 WeakPolarHBondContact O-CD2 3.28Å; W257-F261 PolarHBondContact O-N 2.93Å; W257-F261 VanDerWaalsContact O-N 3.09Å; W257-N282 HydrophobicContact CB-CB 3.85Å; W257-V284 HydrophobicContact CB-CG2 4.08Å; W257-V284 HydrophobicContact CD2-CB 4.3Å; W257-V284 HydrophobicContact CD2-CG2 3.73Å; W257-V284 HydrophobicContact CE3-CG2 4.39Å; W257-V284 HydrophobicContact CG-CB 4.32Å; W257-V284 HydrophobicContact CG-CG2 3.55Å
258R93.4Very high93.1Very high126 Ų12630.6 Ų30.648%0.47515%0.149SC..Hα-helixtrans-67.1-47.2175.5-68.7-171.3-175.589.9-2.7110.9T256 S260 F261 R262 E414T256-R258 PolarHBondContact O-N 2.8Å; R258-S260 VanDerWaalsContact C-N 3.34Å; R258-F261 PolarHBondContact O-N 2.87Å; R258-R262 WeakPolarHBondContact O-CB 3.36Å; R258-R262 PolarHBondContact O-N 2.83Å; R258-E414 IonicContact CZ-OE1 3.62Å; R258-E414 IonicContact NE-OE1 3.75Å; R258-E414 PolarHBondContact NE-OE1 2.93Å
259E93.8Very high93.8Very high44 Ų4432.2 Ų32.221%0.20616%0.16CC..Hα-helixtrans-62.5-42.5174.7-76.2-59.7102.400111.2T254 T256 F261 R262 I263T254-E259 HydrophobicContact CG2-CB 4.21Å; T256-E259 PolarHBondContact O-N 3.34Å; T256-E259 PolarHBondContact OG1-N 3.25Å; T256-E259 VanDerWaalsContact OG1-N 3.15Å; E259-F261 VanDerWaalsContact C-N 3.34Å; E259-F261 PolarHBondContact O-N 3.1Å; E259-R262 PolarHBondContact O-N 2.59Å; E259-R262 VanDerWaalsContact O-N 3.12Å; E259-R262 IonicContact OE1-NE 2.67Å; E259-R262 PolarHBondContact OE1-NE 3.43Å; E259-R262 VanDerWaalsContact OE1-NE 3.11Å; E259-R262 IonicContact OE2-CZ 2.89Å; E259-R262 IonicContact OE2-NE 3.31Å; E259-R262 PolarHBondContact OE2-NE 3Å; E259-R262 IonicContact OE2-NH2 3.18Å; E259-R262 PolarHBondContact OE2-NH2 2.83Å; E259-I263 WeakPolarHBondContact O-CG1 3.38Å; E259-I263 PolarHBondContact O-N 3.38Å
260S94.8Very high94Very high0 Ų030.3 Ų30.30%015%0.154CC..Hα-helixtrans-53.7-48.6174168.10000112.1T254 T256 R258 V264 N282 V306T254-S260 WeakPolarHBondContact OG1-CB 3.43Å; T254-S260 PolarHBondContact OG1-N 3.43Å; T256-S260 PolarHBondContact O-N 3.42Å; R258-S260 VanDerWaalsContact C-N 3.34Å; S260-V264 VanDerWaalsContact O-CG2 3.26Å; S260-V264 WeakPolarHBondContact O-CG2 3.45Å; S260-V264 PolarHBondContact O-N 2.92Å; S260-V264 VanDerWaalsContact O-N 3.16Å; S260-N282 PolarHBondContact OG-ND2 2.97Å; S260-N282 VanDerWaalsContact OG-ND2 3.16Å; S260-V306 PolarHBondContact OG-O 3.18Å
261F95.1Very high94Very high48 Ų4831.5 Ų31.521%0.21116%0.164CC..Hα-helixtrans-71.5-32.9176.8-69-47.5000113.7W257 R258 E259 A265 P280 N282 M285 L410W257-F261 AromaticContact CE3-CD2 3.58Å; W257-F261 HydrophobicContact CE3-CD2 3.58Å; W257-F261 AromaticContact CE3-CE2 3.64Å; W257-F261 HydrophobicContact CE3-CE2 3.64Å; W257-F261 AromaticContact CZ3-CD2 3.92Å; W257-F261 HydrophobicContact CZ3-CD2 3.92Å; W257-F261 HydrophobicContact CZ3-CE2 4.08Å; W257-F261 WeakPolarHBondContact O-CD2 3.28Å; W257-F261 PolarHBondContact O-N 2.93Å; W257-F261 VanDerWaalsContact O-N 3.09Å; R258-F261 PolarHBondContact O-N 2.87Å; E259-F261 VanDerWaalsContact C-N 3.34Å; E259-F261 PolarHBondContact O-N 3.1Å; F261-A265 WeakPolarHBondContact O-CB 3.45Å; F261-A265 PolarHBondContact O-N 3.19Å; F261-P280 HydrophobicContact CD1-CB 3.71Å; F261-P280 HydrophobicContact CD1-CG 3.8Å; F261-P280 HydrophobicContact CE1-CB 3.73Å; F261-P280 HydrophobicContact CE1-CG 3.62Å; F261-N282 WeakPolarHBondContact CE1-ND2 3.46Å; F261-N282 WeakPolarHBondContact CZ-ND2 3.39Å; F261-M285 HydrophobicContact CE1-CG 3.97Å; F261-M285 HydrophobicContact CE1-SD 4.22Å; F261-M285 HydrophobicContact CZ-CG 3.69Å; F261-M285 HydrophobicContact CZ-SD 4.48Å; F261-L410 HydrophobicContact CB-CD2 3.71Å
262R96.2Very high93.8Very high3 Ų338.8 Ų38.81%0.01120%0.203CC..Hα-helixtrans-62.2-53.7177.7-176.7-168.468.481.3-0.5109.9D232 R258 E259 V264 A265 M266 Y326 D403 A406 R407 L410D232-R262 VanDerWaalsContact CG-NH1 3.33Å; D232-R262 IonicContact OD1-CZ 3.36Å; D232-R262 IonicContact OD1-NH1 2.72Å; D232-R262 PolarHBondContact OD1-NH1 3.34Å; D232-R262 IonicContact OD1-NH2 3.15Å; D232-R262 PolarHBondContact OD1-NH2 3.14Å; D232-R262 IonicContact OD2-CZ 3.1Å; D232-R262 IonicContact OD2-NH1 3.64Å; D232-R262 PolarHBondContact OD2-NH1 3.18Å; D232-R262 IonicContact OD2-NH2 3.45Å; R258-R262 WeakPolarHBondContact O-CB 3.36Å; R258-R262 PolarHBondContact O-N 2.83Å; E259-R262 PolarHBondContact O-N 2.59Å; E259-R262 VanDerWaalsContact O-N 3.12Å; E259-R262 IonicContact OE1-NE 2.67Å; E259-R262 PolarHBondContact OE1-NE 3.43Å; E259-R262 VanDerWaalsContact OE1-NE 3.11Å; E259-R262 IonicContact OE2-CZ 2.89Å; E259-R262 IonicContact OE2-NE 3.31Å; E259-R262 PolarHBondContact OE2-NE 3Å; E259-R262 IonicContact OE2-NH2 3.18Å; E259-R262 PolarHBondContact OE2-NH2 2.83Å; R262-V264 VanDerWaalsContact C-N 3.34Å; R262-V264 PolarHBondContact O-N 3.41Å; R262-A265 PolarHBondContact O-N 3.45Å; R262-A265 VanDerWaalsContact O-N 3.15Å; R262-M266 PolarHBondContact O-N 3.34Å; R262-Y326 PolarHBondContact NH2-OH 3.16Å; R262-Y326 VanDerWaalsContact NH2-OH 3.14Å; R262-D403 WeakPolarHBondContact CD-OD1 3.49Å; R262-D403 IonicContact CZ-OD1 3.39Å; R262-D403 IonicContact NE-OD1 2.9Å; R262-D403 IonicContact NH1-OD1 2.7Å; R262-D403 PolarHBondContact NH1-OD1 3.13Å; R262-A406 HydrophobicContact CG-CB 4.34Å; R262-R407 HydrophobicContact CG-CG 4.23Å; R262-L410 HydrophobicContact CB-CD1 3.63Å; R262-L410 HydrophobicContact CG-CD1 4.29Å
263I96.5Very high93.5Very high0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-60.6-45-179.5-66.3-178.6000110.1L235 T254 E259 A265 M266 L267 V306 Y326L235-I263 HydrophobicContact CD2-CD1 4.49Å; L235-I263 HydrophobicContact CD2-CG2 3.84Å; T254-I263 HydrophobicContact CG2-CD1 3.53Å; E259-I263 WeakPolarHBondContact O-CG1 3.38Å; E259-I263 PolarHBondContact O-N 3.38Å; I263-A265 VanDerWaalsContact C-N 3.34Å; I263-A265 PolarHBondContact O-N 3.12Å; I263-M266 PolarHBondContact O-N 3.22Å; I263-L267 HydrophobicContact CG2-CD1 3.75Å; I263-L267 HydrophobicContact CG2-CG 4.07Å; I263-L267 WeakPolarHBondContact O-CB 3.25Å; I263-L267 VanDerWaalsContact O-CG 3.24Å; I263-L267 WeakPolarHBondContact O-CG 3.32Å; I263-L267 PolarHBondContact O-N 2.94Å; I263-V306 HydrophobicContact CB-CG1 4.27Å; I263-V306 HydrophobicContact CG2-CG1 4.28Å; I263-V306 HydrophobicContact CG2-CG2 4.02Å; I263-Y326 HydrophobicContact CD1-CD1 3.8Å; I263-Y326 HydrophobicContact CD1-CD2 3.82Å; I263-Y326 HydrophobicContact CD1-CE1 3.94Å; I263-Y326 HydrophobicContact CD1-CE2 3.96Å; I263-Y326 HydrophobicContact CD1-CG 3.75Å
264V96.4Very high93.1Very high7 Ų741.3 Ų41.34%0.04222%0.218CC..Hα-helixtrans-61.5-41.2176.7170.60000112.3S260 R262 M266 L267 K268 P280 V306S260-V264 VanDerWaalsContact O-CG2 3.26Å; S260-V264 WeakPolarHBondContact O-CG2 3.45Å; S260-V264 PolarHBondContact O-N 2.92Å; S260-V264 VanDerWaalsContact O-N 3.16Å; R262-V264 VanDerWaalsContact C-N 3.34Å; R262-V264 PolarHBondContact O-N 3.41Å; V264-M266 VanDerWaalsContact C-N 3.35Å; V264-L267 PolarHBondContact O-N 2.81Å; V264-K268 HydrophobicContact CG1-CD 4.07Å; V264-K268 HydrophobicContact CG1-CG 4.38Å; V264-K268 WeakPolarHBondContact O-CB 3.48Å; V264-K268 VanDerWaalsContact O-CG 3.26Å; V264-K268 WeakPolarHBondContact O-CG 3.34Å; V264-K268 PolarHBondContact O-N 3.06Å; V264-P280 HydrophobicContact CG1-CG 4.5Å; V264-P280 HydrophobicContact CG2-CB 3.95Å; V264-V306 HydrophobicContact CG2-CB 3.59Å; V264-V306 HydrophobicContact CG2-CG1 4.44Å; V264-V306 HydrophobicContact CG2-CG2 3.45Å; V264-V306 VanDerWaalsContact CG2-CG2 3.45Å
265A95.7Very high92.7Very high32 Ų3245.7 Ų45.726%0.26425%0.249SC..Hα-helixtrans-64.6-40.7177.500000111.8F261 R262 I263 K268 S269 A406F261-A265 WeakPolarHBondContact O-CB 3.45Å; F261-A265 PolarHBondContact O-N 3.19Å; R262-A265 PolarHBondContact O-N 3.45Å; R262-A265 VanDerWaalsContact O-N 3.15Å; I263-A265 VanDerWaalsContact C-N 3.34Å; I263-A265 PolarHBondContact O-N 3.12Å; A265-K268 PolarHBondContact O-N 2.77Å; A265-S269 PolarHBondContact O-N 3.17Å; A265-S269 VanDerWaalsContact O-N 3.14Å; A265-A406 HydrophobicContact CB-CB 3.66Å
266M96.4Very high92.6Very high0 Ų044.3 Ų44.30%024%0.24CC..Hα-helixtrans-62.8-50.1174.3-178-175.577.200111.4D232 L235 I236 R262 I263 V264 K268 S269 L270 V399 A402 D403 A406D232-M266 HydrophobicContact CB-CE 4.14Å; D232-M266 HydrophobicContact CB-SD 4.09Å; L235-M266 HydrophobicContact CD2-CE 4.29Å; I236-M266 HydrophobicContact CD1-CE 4.33Å; R262-M266 PolarHBondContact O-N 3.34Å; I263-M266 PolarHBondContact O-N 3.22Å; V264-M266 VanDerWaalsContact C-N 3.35Å; M266-K268 VanDerWaalsContact C-N 3.26Å; M266-K268 PolarHBondContact O-N 2.71Å; M266-S269 WeakPolarHBondContact O-CB 3.26Å; M266-S269 PolarHBondContact O-N 3.26Å; M266-S269 VanDerWaalsContact O-N 3.1Å; M266-L270 HydrophobicContact CG-CD1 4.11Å; M266-L270 WeakPolarHBondContact O-CG 3.25Å; M266-L270 PolarHBondContact O-N 3.43Å; M266-L270 VanDerWaalsContact O-N 3.07Å; M266-V399 HydrophobicContact SD-CG1 4.25Å; M266-A402 HydrophobicContact CG-CB 3.91Å; M266-D403 HydrophobicContact SD-CB 4.06Å; M266-A406 HydrophobicContact CB-CB 4.28Å
267L95.6Very high92.7Very high1 Ų143.6 Ų43.61%0.00524%0.24CC..Hα-helixtrans-61.2-33.5178.3-68.7175.9000112.5I236 L239 I252 I263 V264 L270 A271 I274 S278 I304 V306I236-L267 HydrophobicContact CD1-CD2 3.6Å; L239-L267 HydrophobicContact CD1-CD2 3.64Å; I252-L267 HydrophobicContact CD1-CD1 3.96Å; I263-L267 HydrophobicContact CG2-CD1 3.75Å; I263-L267 HydrophobicContact CG2-CG 4.07Å; I263-L267 WeakPolarHBondContact O-CB 3.25Å; I263-L267 VanDerWaalsContact O-CG 3.24Å; I263-L267 WeakPolarHBondContact O-CG 3.32Å; I263-L267 PolarHBondContact O-N 2.94Å; V264-L267 PolarHBondContact O-N 2.81Å; L267-L270 CarbonylContact O-C 3.36Å; L267-L270 PolarHBondContact O-N 2.88Å; L267-A271 PolarHBondContact O-N 2.74Å; L267-I274 HydrophobicContact CD2-CD1 3.45Å; L267-I274 VanDerWaalsContact CD2-CD1 3.45Å; L267-S278 WeakPolarHBondContact CB-OG 3.25Å; L267-I304 HydrophobicContact CD1-CG2 3.9Å; L267-V306 HydrophobicContact CD1-CG2 4.09Å
268K94.6Very high92.8Very high126 Ų12640.7 Ų40.755%0.54823%0.23SC..Hα-helixtrans-69.3-36.7174.7-78.1-179.1177.4-165.20113V264 A265 M266 L270 A271 S278V264-K268 HydrophobicContact CG1-CD 4.07Å; V264-K268 HydrophobicContact CG1-CG 4.38Å; V264-K268 WeakPolarHBondContact O-CB 3.48Å; V264-K268 VanDerWaalsContact O-CG 3.26Å; V264-K268 WeakPolarHBondContact O-CG 3.34Å; V264-K268 PolarHBondContact O-N 3.06Å; A265-K268 PolarHBondContact O-N 2.77Å; M266-K268 VanDerWaalsContact C-N 3.26Å; M266-K268 PolarHBondContact O-N 2.71Å; K268-L270 PolarHBondContact O-N 2.97Å; K268-A271 VanDerWaalsContact O-CB 3.28Å; K268-A271 WeakPolarHBondContact O-CB 3.41Å; K268-A271 PolarHBondContact O-N 2.67Å; K268-S278 WeakPolarHBondContact CE-O 3.41Å
269S93.7Very high92.8Very high62 Ų6235 Ų3543%0.43421%0.21SC..Hα-helixtrans-67-28.4173.1171.80000111.6A265 M266 A402A265-S269 PolarHBondContact O-N 3.17Å; A265-S269 VanDerWaalsContact O-N 3.14Å; M266-S269 WeakPolarHBondContact O-CB 3.26Å; M266-S269 PolarHBondContact O-N 3.26Å; M266-S269 VanDerWaalsContact O-N 3.1Å; S269-A402 WeakPolarHBondContact OG-CB 3.34Å
270L93Very high92.9Very high6 Ų633.6 Ų33.63%0.03121%0.205CC..THydrogen-bonded Turntrans-97.414.2176.8-59.6170.4000113.3I236 M266 L267 K268 D272 V273 I274 Q398 V399 A402I236-L270 HydrophobicContact CD1-CD1 3.82Å; I236-L270 HydrophobicContact CG1-CD1 4.13Å; M266-L270 HydrophobicContact CG-CD1 4.11Å; M266-L270 WeakPolarHBondContact O-CG 3.25Å; M266-L270 PolarHBondContact O-N 3.43Å; M266-L270 VanDerWaalsContact O-N 3.07Å; L267-L270 CarbonylContact O-C 3.36Å; L267-L270 PolarHBondContact O-N 2.88Å; K268-L270 PolarHBondContact O-N 2.97Å; L270-D272 PolarHBondContact O-N 3.47Å; L270-V273 PolarHBondContact O-N 2.9Å; L270-V273 VanDerWaalsContact O-N 3.1Å; L270-I274 HydrophobicContact CB-CD1 3.76Å; L270-I274 HydrophobicContact CB-CG1 4.12Å; L270-I274 WeakPolarHBondContact O-CG1 3.25Å; L270-I274 PolarHBondContact O-N 3.43Å; L270-Q398 HydrophobicContact CD2-CB 4.02Å; L270-V399 HydrophobicContact CD1-CG2 3.85Å; L270-A402 HydrophobicContact CD1-CB 4.25Å; L270-A402 HydrophobicContact CD2-CB 4.11Å; L270-A402 HydrophobicContact CG-CB 3.92Å
271A89.3Confident92.7Very high31 Ų3133.7 Ų33.726%0.25621%0.205SC..Hα-helixtrans-60.2-34.6-171.200000112.7L267 K268 S275L267-A271 PolarHBondContact O-N 2.74Å; K268-A271 VanDerWaalsContact O-CB 3.28Å; K268-A271 WeakPolarHBondContact O-CB 3.41Å; K268-A271 PolarHBondContact O-N 2.67Å; A271-S275 WeakPolarHBondContact O-CA 3.43Å; A271-S275 PolarHBondContact O-N 3.19Å
272D88.2Confident92.5Very high152 Ų15231.4 Ų31.481%0.81320%0.195SC*.Hα-helixtrans-68.6-38.7178.7-61.4-28.3000111.6L270L270-D272 PolarHBondContact O-N 3.47Å
273V88.4Confident91.8Very high51 Ų5133.7 Ų33.731%0.30922%0.22SC..Hα-helixtrans-71.7-46.8178.4-176.80000111L240 K243 L270 S275 L395L240-V273 HydrophobicContact CD2-CG1 4.49Å; K243-V273 PolarHBondContact NZ-O 3.04Å; L270-V273 PolarHBondContact O-N 2.9Å; L270-V273 VanDerWaalsContact O-N 3.1Å; V273-S275 VanDerWaalsContact C-N 3.27Å; V273-S275 PolarHBondContact O-N 2.95Å; V273-L395 HydrophobicContact CG1-CD1 3.76Å; V273-L395 HydrophobicContact CG1-CD2 4.36Å
274I87Confident91.3Very high4 Ų437.1 Ų37.12%0.02124%0.24CC..Hα-helixtrans-80.5-14.3-177.8-48.7168.9000110.4I236 L239 K243 L267 L270 A276 I304I236-I274 HydrophobicContact CD1-CD1 3.62Å; L239-I274 HydrophobicContact CB-CG2 4.16Å; K243-I274 WeakPolarHBondContact CE-O 3.49Å; K243-I274 PolarHBondContact NZ-O 3.26Å; L267-I274 HydrophobicContact CD2-CD1 3.45Å; L267-I274 VanDerWaalsContact CD2-CD1 3.45Å; L270-I274 HydrophobicContact CB-CD1 3.76Å; L270-I274 HydrophobicContact CB-CG1 4.12Å; L270-I274 WeakPolarHBondContact O-CG1 3.25Å; L270-I274 PolarHBondContact O-N 3.43Å; I274-A276 HydrophobicContact CB-CB 4.38Å; I274-A276 HydrophobicContact CG2-CB 3.8Å; I274-A276 PolarHBondContact O-N 3.21Å; I274-A276 VanDerWaalsContact O-N 3.14Å; I274-I304 HydrophobicContact CG2-CD1 4.08Å
275S86.7Confident90.9Very high92 Ų9238 Ų3864%0.64325%0.245SC*.THydrogen-bonded Turntrans50.137.1-177.9-34.10000112.2K243 A271 V273K243-S275 PolarHBondContact NZ-OG 3.28Å; K243-S275 VanDerWaalsContact NZ-OG 3.09Å; A271-S275 WeakPolarHBondContact O-CA 3.43Å; A271-S275 PolarHBondContact O-N 3.19Å; V273-S275 VanDerWaalsContact C-N 3.27Å; V273-S275 PolarHBondContact O-N 2.95Å
276A87.5Confident90.4Very high18 Ų1842.8 Ų42.815%0.14926%0.261CS..  trans-146131.3-170.200000110.7I274 S303 I304I274-A276 HydrophobicContact CB-CB 4.38Å; I274-A276 HydrophobicContact CG2-CB 3.8Å; I274-A276 PolarHBondContact O-N 3.21Å; I274-A276 VanDerWaalsContact O-N 3.14Å; A276-S303 VanDerWaalsContact CB-OG 3.28Å; A276-S303 WeakPolarHBondContact CB-OG 3.4Å; A276-I304 HydrophobicContact CB-CD1 3.65Å; A276-I304 HydrophobicContact CB-CG1 4.18Å
277A92.3Very high89.4Confident45 Ų4543.3 Ų43.337%0.37226%0.264SS..  trans-82143.5172.100000110.6R301 V302 S303 I304A277-R301 WeakPolarHBondContact CB-O 3.42Å; A277-V302 HydrophobicContact CB-CG2 4.2Å; A277-V302 WeakPolarHBondContact O-CG1 3.27Å; A277-S303 PolarHBondContact O-N 2.89Å; A277-I304 PolarHBondContact O-N 3.41Å; A277-I304 VanDerWaalsContact O-N 3.08Å
278S94.1Very high88.7Confident6 Ų649.5 Ų49.54%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-124.3144.1178.4660000113.3L267 K268 I304L267-S278 WeakPolarHBondContact CB-OG 3.25Å; K268-S278 WeakPolarHBondContact CE-O 3.41Å; S278-I304 CarbonylContact C-O 3.47Å; S278-I304 WeakPolarHBondContact CA-O 3.31Å
279A94.3Very high88.5Confident6 Ų649.5 Ų49.55%0.0530%0.297CS..EExtended strand (participates in β ladder)trans-134.8145.4176.300000112.5V302 I304 L305 V306A279-V302 HydrophobicContact CB-CB 4.49Å; A279-V302 HydrophobicContact CB-CG1 3.8Å; A279-V302 HydrophobicContact CB-CG2 4.12Å; A279-I304 PolarHBondContact N-O 3.04Å; A279-L305 HydrophobicContact CB-CD1 4.34Å; A279-V306 PolarHBondContact O-N 2.89Å
280P94.4Very high88.1Confident16 Ų1647.6 Ų47.610%0.10428%0.28CS..EExtended strand (participates in β ladder)trans-84.4151.1175.331.2-24.3000110.7F261 V264 M285 S293 V306F261-P280 HydrophobicContact CD1-CB 3.71Å; F261-P280 HydrophobicContact CD1-CG 3.8Å; F261-P280 HydrophobicContact CE1-CB 3.73Å; F261-P280 HydrophobicContact CE1-CG 3.62Å; V264-P280 HydrophobicContact CG1-CG 4.5Å; V264-P280 HydrophobicContact CG2-CB 3.95Å; P280-M285 HydrophobicContact CB-SD 3.93Å; P280-M285 HydrophobicContact CG-CE 3.98Å; P280-M285 HydrophobicContact CG-SD 3.88Å; P280-M285 VanDerWaalsContact O-CE 3.24Å; P280-M285 WeakPolarHBondContact O-CE 3.38Å; P280-S293 PolarHBondContact O-OG 2.85Å; P280-V306 CarbonylContact C-O 3.53Å; P280-V306 WeakPolarHBondContact CA-O 3.48Å
281L91.5Very high87.5Confident1 Ų150 Ų501%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-139.196.7167.5-174.468.5000109.9R290 L305 V306 A307 T308 A311 L315 F317L281-R290 HydrophobicContact CD1-CB 3.88Å; L281-R290 HydrophobicContact CD1-CG 4.12Å; L281-L305 HydrophobicContact CB-CD1 3.97Å; L281-L305 HydrophobicContact CB-CD2 4.36Å; L281-L305 HydrophobicContact CB-CG 4.22Å; L281-L305 HydrophobicContact CD2-CD2 3.93Å; L281-V306 PolarHBondContact N-O 3.2Å; L281-A307 HydrophobicContact CB-CB 4.21Å; L281-A307 VanDerWaalsContact O-CA 3.26Å; L281-A307 WeakPolarHBondContact O-CA 3.49Å; L281-T308 PolarHBondContact O-N 2.76Å; L281-T308 VanDerWaalsContact O-N 3.11Å; L281-A311 WeakPolarHBondContact CD2-O 3.36Å; L281-A311 HydrophobicContact CG-CB 4.1Å; L281-A311 VanDerWaalsContact O-CB 3.27Å; L281-A311 WeakPolarHBondContact O-CB 3.23Å; L281-L315 HydrophobicContact CD2-CD1 3.46Å; L281-L315 VanDerWaalsContact CD2-CD1 3.46Å; L281-F317 HydrophobicContact CD2-CE1 4.46Å; L281-F317 HydrophobicContact CD2-CZ 4.25Å
282N89.7Confident87.5Confident0 Ų051.1 Ų51.10%030%0.298CS..  trans-143.5161.6-177.564.563.8000112.5W257 S260 F261 V284 M285 T308W257-N282 HydrophobicContact CB-CB 3.85Å; S260-N282 PolarHBondContact OG-ND2 2.97Å; S260-N282 VanDerWaalsContact OG-ND2 3.16Å; F261-N282 WeakPolarHBondContact CE1-ND2 3.46Å; F261-N282 WeakPolarHBondContact CZ-ND2 3.39Å; N282-V284 PolarHBondContact O-N 3.31Å; N282-V284 VanDerWaalsContact O-N 3.16Å; N282-V284 PolarHBondContact OD1-N 2.9Å; N282-M285 WeakPolarHBondContact O-CB 3.39Å; N282-M285 PolarHBondContact O-N 3.13Å; N282-T308 HydrophobicContact CB-CG2 3.9Å
283G82.9Confident87.6Confident51 Ų5144.5 Ų44.553%0.52626%0.263SS..THydrogen-bonded Turntrans-68.1-10.8-172.600000116
284V86.5Confident87.4Confident72 Ų7242.2 Ų42.244%0.43625%0.249SC..THydrogen-bonded Turntrans-87.1-14177.5178.90000111.7W257 N282W257-V284 HydrophobicContact CB-CG2 4.08Å; W257-V284 HydrophobicContact CD2-CB 4.3Å; W257-V284 HydrophobicContact CD2-CG2 3.73Å; W257-V284 HydrophobicContact CE3-CG2 4.39Å; W257-V284 HydrophobicContact CG-CB 4.32Å; W257-V284 HydrophobicContact CG-CG2 3.55Å; N282-V284 PolarHBondContact O-N 3.31Å; N282-V284 VanDerWaalsContact O-N 3.16Å; N282-V284 PolarHBondContact OD1-N 2.9Å
285M87.2Confident87.3Confident27 Ų2747.6 Ų47.613%0.13327%0.272CS..SBendtrans-71.3145.6178.9-68172.167.500111.9F261 P280 N282 K289 R290F261-M285 HydrophobicContact CE1-CG 3.97Å; F261-M285 HydrophobicContact CE1-SD 4.22Å; F261-M285 HydrophobicContact CZ-CG 3.69Å; F261-M285 HydrophobicContact CZ-SD 4.48Å; P280-M285 HydrophobicContact CB-SD 3.93Å; P280-M285 HydrophobicContact CG-CE 3.98Å; P280-M285 HydrophobicContact CG-SD 3.88Å; P280-M285 VanDerWaalsContact O-CE 3.24Å; P280-M285 WeakPolarHBondContact O-CE 3.38Å; N282-M285 WeakPolarHBondContact O-CB 3.39Å; N282-M285 PolarHBondContact O-N 3.13Å; M285-K289 HydrophobicContact CE-CB 4.06Å; M285-R290 HydrophobicContact CB-CG 3.48Å; M285-R290 VanDerWaalsContact CB-CG 3.48Å; M285-R290 HydrophobicContact CE-CG 4.35Å; M285-R290 HydrophobicContact CG-CG 4.5Å; M285-R290 HydrophobicContact SD-CG 4.36Å
286Q84.2Confident87.5Confident131 Ų13144.7 Ų44.761%0.61225%0.25SC*.  trans-62147.2167-73.6175.9-29.800110.4D288 K289 R290Q286-D288 PolarHBondContact O-N 3.16Å; Q286-K289 PolarHBondContact O-N 3.49Å; Q286-K289 VanDerWaalsContact O-N 3.15Å; Q286-R290 PolarHBondContact O-N 3.39Å
287Q75.4Confident87.5Confident12 Ų1243.8 Ų43.86%0.05624%0.243CC..Hα-helixtrans-58.6-46.3-172.3-171.565.29.900112.8R82 E83 K289 R290 Q291R82-Q287 VanDerWaalsContact CZ-OE1 3.27Å; R82-Q287 VanDerWaalsContact NH1-OE1 3.08Å; R82-Q287 VanDerWaalsContact NH2-CG 3.29Å; E83-Q287 PolarHBondContact OE1-NE2 3.11Å; E83-Q287 PolarHBondContact OE1-OE1 3.24Å; Q287-K289 PolarHBondContact O-N 2.7Å; Q287-R290 WeakPolarHBondContact O-CA 3.22Å; Q287-R290 WeakPolarHBondContact O-CB 3.49Å; Q287-R290 PolarHBondContact O-N 3.49Å; Q287-Q291 HydrophobicContact CG-CG 4.41Å; Q287-Q291 PolarHBondContact O-N 3.37Å
288D82.8Confident87.1Confident130 Ų13045.5 Ų45.570%0.69524%0.239SC*.Hα-helixtrans-61.8-35.6-177.5-52-28.2000111.2Q286 Q291 S292Q286-D288 PolarHBondContact O-N 3.16Å; D288-Q291 PolarHBondContact O-N 3.3Å; D288-S292 WeakPolarHBondContact O-CB 3.45Å; D288-S292 PolarHBondContact O-N 3.35Å
289K88.4Confident86.6Confident127 Ų12748.5 Ų48.555%0.55226%0.257SS*.Hα-helixtrans-69.4-37.7174.6-63.9-171177.9-174.40112.4M285 Q286 Q287 S293M285-K289 HydrophobicContact CE-CB 4.06Å; Q286-K289 PolarHBondContact O-N 3.49Å; Q286-K289 VanDerWaalsContact O-N 3.15Å; Q287-K289 PolarHBondContact O-N 2.7Å; K289-S293 WeakPolarHBondContact O-CB 3.43Å; K289-S293 PolarHBondContact O-N 3.11Å; K289-S293 PolarHBondContact O-OG 2.82Å
290R85.7Confident86.2Confident21 Ų2150.2 Ų50.28%0.07928%0.276CS..Hα-helixtrans-63.4-45.2174.2-67.6179.565.4-146.9-2110.7E83 L281 M285 Q286 Q287 S293 L294 A311E83-R290 VanDerWaalsContact CD-CZ 3.43Å; E83-R290 VanDerWaalsContact CD-NH1 3.34Å; E83-R290 IonicContact OE1-CZ 2.87Å; E83-R290 IonicContact OE1-NE 3.59Å; E83-R290 IonicContact OE1-NH1 2.8Å; E83-R290 PolarHBondContact OE1-NH1 2.89Å; E83-R290 IonicContact OE1-NH2 3.8Å; E83-R290 PolarHBondContact OE1-NH2 3.45Å; E83-R290 VanDerWaalsContact OE1-NH2 3.16Å; E83-R290 IonicContact OE2-CZ 3.87Å; E83-R290 IonicContact OE2-NH1 3.28Å; E83-R290 PolarHBondContact OE2-NH1 2.78Å; E83-R290 IonicContact OE2-NH2 2.71Å; E83-R290 PolarHBondContact OE2-NH2 2.87Å; L281-R290 HydrophobicContact CD1-CB 3.88Å; L281-R290 HydrophobicContact CD1-CG 4.12Å; M285-R290 HydrophobicContact CB-CG 3.48Å; M285-R290 VanDerWaalsContact CB-CG 3.48Å; M285-R290 HydrophobicContact CE-CG 4.35Å; M285-R290 HydrophobicContact CG-CG 4.5Å; M285-R290 HydrophobicContact SD-CG 4.36Å; Q286-R290 PolarHBondContact O-N 3.39Å; Q287-R290 WeakPolarHBondContact O-CA 3.22Å; Q287-R290 WeakPolarHBondContact O-CB 3.49Å; Q287-R290 PolarHBondContact O-N 3.49Å; R290-S293 PolarHBondContact O-N 2.7Å; R290-L294 WeakPolarHBondContact O-CB 3.45Å; R290-L294 PolarHBondContact O-N 2.81Å; R290-A311 PolarHBondContact NH2-O 3.26Å
291Q81.8Confident85.9Confident56 Ų5656.6 Ų56.626%0.26230%0.298SS..Hα-helixtrans-63.9-44.6176.7-68.4-59-44.900111.6Q287 D288 S293 L294 F295Q287-Q291 HydrophobicContact CG-CG 4.41Å; Q287-Q291 PolarHBondContact O-N 3.37Å; D288-Q291 PolarHBondContact O-N 3.3Å; Q291-S293 PolarHBondContact O-N 3.5Å; Q291-L294 PolarHBondContact O-N 2.81Å; Q291-F295 VanDerWaalsContact O-CB 3.24Å; Q291-F295 WeakPolarHBondContact O-CB 3.2Å; Q291-F295 PolarHBondContact O-N 3.49Å
292S88.1Confident85.8Confident56 Ų5657.2 Ų57.239%0.39230%0.302SS..Hα-helixtrans-57.6-49.8173.4-171.20000111D288 L294 F295 D296D288-S292 WeakPolarHBondContact O-CB 3.45Å; D288-S292 PolarHBondContact O-N 3.35Å; S292-L294 VanDerWaalsContact C-N 3.3Å; S292-L294 PolarHBondContact O-N 3.26Å; S292-F295 PolarHBondContact O-N 2.73Å; S292-F295 VanDerWaalsContact O-N 3.14Å; S292-D296 WeakPolarHBondContact O-CB 3.27Å; S292-D296 PolarHBondContact O-N 2.93Å; S292-D296 PolarHBondContact OG-OD2 3.44Å
293S89.9Confident85.8Confident12 Ų1258.7 Ų58.78%0.08431%0.312CS..Hα-helixtrans-61.4-39.1-179.6-61.40000112.3P280 K289 R290 Q291 F297P280-S293 PolarHBondContact O-OG 2.85Å; K289-S293 WeakPolarHBondContact O-CB 3.43Å; K289-S293 PolarHBondContact O-N 3.11Å; K289-S293 PolarHBondContact O-OG 2.82Å; R290-S293 PolarHBondContact O-N 2.7Å; Q291-S293 PolarHBondContact O-N 3.5Å; S293-F297 WeakPolarHBondContact O-CB 3.4Å; S293-F297 PolarHBondContact O-N 3.36Å
294L85.2Confident86.3Confident4 Ų456.4 Ų56.42%0.02129%0.288CS..Hα-helixtrans-68.1-42.3175.1-177.962000111.9R290 Q291 S292 F297 R298 L315 F317R290-L294 WeakPolarHBondContact O-CB 3.45Å; R290-L294 PolarHBondContact O-N 2.81Å; Q291-L294 PolarHBondContact O-N 2.81Å; S292-L294 VanDerWaalsContact C-N 3.3Å; S292-L294 PolarHBondContact O-N 3.26Å; L294-F297 PolarHBondContact O-N 3.48Å; L294-R298 WeakPolarHBondContact O-CB 3.23Å; L294-R298 VanDerWaalsContact O-CG 3.27Å; L294-R298 WeakPolarHBondContact O-CG 3.49Å; L294-R298 PolarHBondContact O-N 2.82Å; L294-L315 HydrophobicContact CD1-CD1 4.2Å; L294-L315 HydrophobicContact CD2-CD1 4.21Å; L294-L315 HydrophobicContact CD2-CD2 3.59Å; L294-F317 HydrophobicContact CD1-CD1 3.9Å; L294-F317 HydrophobicContact CD1-CE1 3.54Å
295F85.4Confident86.6Confident116 Ų11653 Ų5351%0.50927%0.267SS..Hα-helixtrans-65.9-42.9177.8-179.5-105.2000111.6Q291 S292 F297 R298 T299Q291-F295 VanDerWaalsContact O-CB 3.24Å; Q291-F295 WeakPolarHBondContact O-CB 3.2Å; Q291-F295 PolarHBondContact O-N 3.49Å; S292-F295 PolarHBondContact O-N 2.73Å; S292-F295 VanDerWaalsContact O-N 3.14Å; F295-F297 VanDerWaalsContact C-N 3.31Å; F295-F297 PolarHBondContact O-N 3.24Å; F295-R298 PolarHBondContact O-N 2.85Å; F295-T299 HydrophobicContact CD1-CG2 4.32Å; F295-T299 HydrophobicContact CD2-CG2 4.21Å; F295-T299 HydrophobicContact CE1-CG2 3.93Å; F295-T299 HydrophobicContact CE2-CG2 3.81Å; F295-T299 HydrophobicContact CG-CG2 4.45Å; F295-T299 HydrophobicContact CZ-CG2 3.66Å; F295-T299 WeakPolarHBondContact O-CB 3.47Å; F295-T299 WeakPolarHBondContact O-CG2 3.35Å; F295-T299 PolarHBondContact O-N 2.83Å; F295-T299 PolarHBondContact O-OG1 2.96Å
296D89.3Confident87Confident31 Ų3151.7 Ų51.717%0.16626%0.261CS..Hα-helixtrans-62.1-40.1175.7-62.7-24.7000111S292 T299 G300 R301 V302S292-D296 WeakPolarHBondContact O-CB 3.27Å; S292-D296 PolarHBondContact O-N 2.93Å; S292-D296 PolarHBondContact OG-OD2 3.44Å; D296-T299 WeakPolarHBondContact CA-OG1 3.22Å; D296-T299 PolarHBondContact O-OG1 3.33Å; D296-G300 PolarHBondContact O-N 3.31Å; D296-R301 HydrophobicContact CB-CB 4.26Å; D296-R301 PolarHBondContact O-N 2.95Å; D296-R301 IonicContact OD1-CZ 3.53Å; D296-R301 IonicContact OD1-NE 2.76Å; D296-R301 PolarHBondContact OD1-NE 3.48Å; D296-R301 IonicContact OD1-NH2 3.51Å; D296-R301 PolarHBondContact OD1-NH2 2.8Å; D296-V302 HydrophobicContact CB-CB 4.26Å; D296-V302 HydrophobicContact CB-CG2 3.82Å; D296-V302 PolarHBondContact O-N 2.85Å
297F88.2Confident87.4Confident0 Ų045.5 Ų45.50%023%0.231CC..Hα-helixtrans-66.9-43.6174.2-174.6-106.9000112.4R249 I251 S293 L294 F295 G300 V302 L305 F317 V320R249-F297 HydrophobicContact CB-CE2 4.05Å; R249-F297 HydrophobicContact CB-CZ 3.88Å; R249-F297 HydrophobicContact CG-CE2 4.45Å; R249-F297 HydrophobicContact CG-CZ 4.47Å; R249-F297 PolarHBondContact NE-O 3.4Å; I251-F297 HydrophobicContact CD1-CE1 4.18Å; I251-F297 HydrophobicContact CD1-CZ 4.21Å; I251-F297 HydrophobicContact CG1-CE1 4.19Å; I251-F297 HydrophobicContact CG1-CZ 3.73Å; S293-F297 WeakPolarHBondContact O-CB 3.4Å; S293-F297 PolarHBondContact O-N 3.36Å; L294-F297 PolarHBondContact O-N 3.48Å; F295-F297 VanDerWaalsContact C-N 3.31Å; F295-F297 PolarHBondContact O-N 3.24Å; F297-G300 PolarHBondContact O-N 3.16Å; F297-V302 WeakPolarHBondContact CA-O 2.96Å; F297-V302 HydrophobicContact CD2-CG1 4.41Å; F297-V302 WeakPolarHBondContact CD2-O 3.31Å; F297-L305 HydrophobicContact CB-CD1 4.44Å; F297-L305 HydrophobicContact CD1-CB 4.47Å; F297-L305 HydrophobicContact CD1-CD2 4.22Å; F297-L305 HydrophobicContact CD2-CB 3.66Å; F297-L305 HydrophobicContact CE1-CD2 4.49Å; F297-L305 HydrophobicContact CE2-CB 3.71Å; F297-L305 HydrophobicContact CG-CB 4.04Å; F297-L305 HydrophobicContact CG-CD2 4.33Å; F297-L305 HydrophobicContact CZ-CB 4.14Å; F297-F317 AromaticContact CD1-CD1 3.73Å; F297-F317 HydrophobicContact CD1-CD1 3.73Å; F297-F317 HydrophobicContact CD1-CE1 4.37Å; F297-F317 HydrophobicContact CE1-CB 4.13Å; F297-F317 AromaticContact CE1-CD1 3.63Å; F297-F317 HydrophobicContact CE1-CD1 3.63Å; F297-F317 HydrophobicContact CE1-CE1 4.46Å; F297-F317 HydrophobicContact CE1-CG 4.18Å; F297-V320 HydrophobicContact CE1-CG2 4.24Å; F297-V320 HydrophobicContact CZ-CG2 4.19Å
298R83.2Confident88.1Confident80 Ų8045.6 Ų45.630%0.30223%0.233SC..Hα-helixtrans-63-44.1178-77.1179.4175.5171.41.6112.7R249 L294 F295 G300 D316 P318R249-R298 PolarHBondContact NH2-O 3.01Å; L294-R298 WeakPolarHBondContact O-CB 3.23Å; L294-R298 VanDerWaalsContact O-CG 3.27Å; L294-R298 WeakPolarHBondContact O-CG 3.49Å; L294-R298 PolarHBondContact O-N 2.82Å; F295-R298 PolarHBondContact O-N 2.85Å; R298-G300 PolarHBondContact O-N 3.44Å; R298-D316 PolarHBondContact NE-O 3.34Å; R298-D316 PolarHBondContact NH2-O 2.91Å; R298-P318 HydrophobicContact CB-CG 4.26Å; R298-P318 HydrophobicContact CG-CG 3.98Å
299T84.2Confident87.8Confident69 Ų6940.4 Ų40.442%0.42321%0.205SC..Hα-helixtrans-73.5-9.5178.653.40000113.2F295 D296 R301F295-T299 HydrophobicContact CD1-CG2 4.32Å; F295-T299 HydrophobicContact CD2-CG2 4.21Å; F295-T299 HydrophobicContact CE1-CG2 3.93Å; F295-T299 HydrophobicContact CE2-CG2 3.81Å; F295-T299 HydrophobicContact CG-CG2 4.45Å; F295-T299 HydrophobicContact CZ-CG2 3.66Å; F295-T299 WeakPolarHBondContact O-CB 3.47Å; F295-T299 WeakPolarHBondContact O-CG2 3.35Å; F295-T299 PolarHBondContact O-N 2.83Å; F295-T299 PolarHBondContact O-OG1 2.96Å; D296-T299 WeakPolarHBondContact CA-OG1 3.22Å; D296-T299 PolarHBondContact O-OG1 3.33Å; T299-R301 VanDerWaalsContact C-N 3.31Å; T299-R301 PolarHBondContact OG1-NE 3.21Å
300G85.6Confident86.8Confident42 Ų4239 Ų3943%0.43320%0.203SC..THydrogen-bonded Turntrans80.95.9-178.700000114.4D296 F297 R298 V302D296-G300 PolarHBondContact O-N 3.31Å; F297-G300 PolarHBondContact O-N 3.16Å; R298-G300 PolarHBondContact O-N 3.44Å; G300-V302 PolarHBondContact O-N 3.24Å
301R87.8Confident85.6Confident151 Ų15138.1 Ų38.157%0.5720%0.2SC*.SBendtrans-66.1-26.8172.5-68.4-169.6-73.7-1804.2112.4A277 D296 T299A277-R301 WeakPolarHBondContact CB-O 3.42Å; D296-R301 HydrophobicContact CB-CB 4.26Å; D296-R301 PolarHBondContact O-N 2.95Å; D296-R301 IonicContact OD1-CZ 3.53Å; D296-R301 IonicContact OD1-NE 2.76Å; D296-R301 PolarHBondContact OD1-NE 3.48Å; D296-R301 IonicContact OD1-NH2 3.51Å; D296-R301 PolarHBondContact OD1-NH2 2.8Å; T299-R301 VanDerWaalsContact C-N 3.31Å; T299-R301 PolarHBondContact OG1-NE 3.21Å
302V90.2Very high84.5Confident14 Ų1435.7 Ų35.79%0.08519%0.19CC..  trans-121.2125170.8169.10000107.4A277 A279 D296 F297 G300 I304A277-V302 HydrophobicContact CB-CG2 4.2Å; A277-V302 WeakPolarHBondContact O-CG1 3.27Å; A279-V302 HydrophobicContact CB-CB 4.49Å; A279-V302 HydrophobicContact CB-CG1 3.8Å; A279-V302 HydrophobicContact CB-CG2 4.12Å; D296-V302 HydrophobicContact CB-CB 4.26Å; D296-V302 HydrophobicContact CB-CG2 3.82Å; D296-V302 PolarHBondContact O-N 2.85Å; F297-V302 WeakPolarHBondContact CA-O 2.96Å; F297-V302 HydrophobicContact CD2-CG1 4.41Å; F297-V302 WeakPolarHBondContact CD2-O 3.31Å; G300-V302 PolarHBondContact O-N 3.24Å; V302-I304 WeakPolarHBondContact CG1-O 3.44Å
303S90.1Very high83.4Confident30 Ų3033.9 Ų33.921%0.2117%0.174CC..SBendtrans-94.4-19.6177.849.70000112.6R249 S250 A276 A277R249-S303 WeakPolarHBondContact CA-O 3.43Å; S250-S303 PolarHBondContact N-O 3.44Å; A276-S303 VanDerWaalsContact CB-OG 3.28Å; A276-S303 WeakPolarHBondContact CB-OG 3.4Å; A277-S303 PolarHBondContact O-N 2.89Å
304I92.8Very high81.9Confident4 Ų433.6 Ų33.62%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-119.2116.8-178.9-55.8169.6000111.2L239 S250 I252 L267 I274 A276 A277 S278 A279 V302 V306L239-I304 HydrophobicContact CD1-CD1 4Å; L239-I304 HydrophobicContact CD2-CD1 3.93Å; L239-I304 HydrophobicContact CD2-CG1 4.25Å; L239-I304 HydrophobicContact CG-CD1 4.5Å; S250-I304 WeakPolarHBondContact O-CA 3.24Å; I252-I304 HydrophobicContact CD1-CG2 3.48Å; I252-I304 VanDerWaalsContact CD1-CG2 3.48Å; I252-I304 HydrophobicContact CG1-CG2 4.2Å; L267-I304 HydrophobicContact CD1-CG2 3.9Å; I274-I304 HydrophobicContact CG2-CD1 4.08Å; A276-I304 HydrophobicContact CB-CD1 3.65Å; A276-I304 HydrophobicContact CB-CG1 4.18Å; A277-I304 PolarHBondContact O-N 3.41Å; A277-I304 VanDerWaalsContact O-N 3.08Å; S278-I304 CarbonylContact C-O 3.47Å; S278-I304 WeakPolarHBondContact CA-O 3.31Å; A279-I304 PolarHBondContact N-O 3.04Å; V302-I304 WeakPolarHBondContact CG1-O 3.44Å; I304-V306 HydrophobicContact CG2-CG2 4.39Å
305L93Very high80.9Confident0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-106.8122.8174.3-169.471.6000111.1S250 I251 I252 A279 L281 F297 F317S250-L305 PolarHBondContact O-N 2.86Å; I251-L305 CarbonylContact C-O 3.59Å; I251-L305 WeakPolarHBondContact CA-O 3.33Å; I251-L305 HydrophobicContact CG1-CB 4.4Å; I252-L305 PolarHBondContact N-O 3.37Å; A279-L305 HydrophobicContact CB-CD1 4.34Å; L281-L305 HydrophobicContact CB-CD1 3.97Å; L281-L305 HydrophobicContact CB-CD2 4.36Å; L281-L305 HydrophobicContact CB-CG 4.22Å; L281-L305 HydrophobicContact CD2-CD2 3.93Å; F297-L305 HydrophobicContact CB-CD1 4.44Å; F297-L305 HydrophobicContact CD1-CB 4.47Å; F297-L305 HydrophobicContact CD1-CD2 4.22Å; F297-L305 HydrophobicContact CD2-CB 3.66Å; F297-L305 HydrophobicContact CE1-CD2 4.49Å; F297-L305 HydrophobicContact CE2-CB 3.71Å; F297-L305 HydrophobicContact CG-CB 4.04Å; F297-L305 HydrophobicContact CG-CD2 4.33Å; F297-L305 HydrophobicContact CZ-CB 4.14Å; L305-F317 HydrophobicContact CD2-CD1 4.11Å; L305-F317 HydrophobicContact CD2-CE1 3.31Å; L305-F317 HydrophobicContact CD2-CZ 3.84Å
306V95Very high79.8Confident0 Ų031.4 Ų31.40%017%0.166CC..EExtended strand (participates in β ladder)trans-103.2103177.2-170.50000110I252 T254 S260 I263 V264 L267 A279 P280 L281 I304I252-V306 HydrophobicContact CB-CG1 4.34Å; I252-V306 HydrophobicContact CB-CG2 4.26Å; I252-V306 HydrophobicContact CD1-CG2 4.11Å; I252-V306 HydrophobicContact CG2-CG1 4.41Å; I252-V306 CarbonylContact O-C 3.59Å; I252-V306 WeakPolarHBondContact O-CA 3.3Å; T254-V306 HydrophobicContact CG2-CG1 3.88Å; S260-V306 PolarHBondContact OG-O 3.18Å; I263-V306 HydrophobicContact CB-CG1 4.27Å; I263-V306 HydrophobicContact CG2-CG1 4.28Å; I263-V306 HydrophobicContact CG2-CG2 4.02Å; V264-V306 HydrophobicContact CG2-CB 3.59Å; V264-V306 HydrophobicContact CG2-CG1 4.44Å; V264-V306 HydrophobicContact CG2-CG2 3.45Å; V264-V306 VanDerWaalsContact CG2-CG2 3.45Å; L267-V306 HydrophobicContact CD1-CG2 4.09Å; A279-V306 PolarHBondContact O-N 2.89Å; P280-V306 CarbonylContact C-O 3.53Å; P280-V306 WeakPolarHBondContact CA-O 3.48Å; L281-V306 PolarHBondContact N-O 3.2Å; I304-V306 HydrophobicContact CG2-CG2 4.39Å
307A92.6Very high78.9Confident0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-112.3155.7-170.100000113.8I252 F253 T254 L281I252-A307 PolarHBondContact O-N 2.91Å; F253-A307 WeakPolarHBondContact CA-O 3.39Å; F253-A307 HydrophobicContact CD1-CB 4.17Å; F253-A307 HydrophobicContact CE1-CB 4.02Å; T254-A307 PolarHBondContact N-O 2.9Å; T254-A307 PolarHBondContact OG1-O 3.07Å; L281-A307 HydrophobicContact CB-CB 4.21Å; L281-A307 VanDerWaalsContact O-CA 3.26Å; L281-A307 WeakPolarHBondContact O-CA 3.49Å
308T90.1Very high77.7Confident14 Ų1432 Ų329%0.08617%0.172CC..EExtended strand (participates in β ladder)trans-101158.8161.364.60000110.3L281 N282 L310 A311 S312L281-T308 PolarHBondContact O-N 2.76Å; L281-T308 VanDerWaalsContact O-N 3.11Å; N282-T308 HydrophobicContact CB-CG2 3.9Å; T308-L310 VanDerWaalsContact C-N 3.33Å; T308-L310 PolarHBondContact O-N 2.78Å; T308-A311 PolarHBondContact O-N 2.86Å; T308-A311 VanDerWaalsContact O-N 3.13Å; T308-S312 PolarHBondContact O-N 3.14Å; T308-S312 PolarHBondContact O-OG 3.06Å
309D77.7Confident77.1Confident22 Ų2231 Ų3112%0.11817%0.173CC..Hα-helixtrans-53.6-48.5-179-72.6-51.4000113A311 S312 R313 R344D309-A311 PolarHBondContact O-N 3.22Å; D309-S312 PolarHBondContact O-N 3.11Å; D309-S312 PolarHBondContact O-OG 2.92Å; D309-S312 VanDerWaalsContact O-OG 3.04Å; D309-R313 WeakPolarHBondContact O-CG 3.43Å; D309-R313 PolarHBondContact O-N 3.39Å; D309-R344 IonicContact OD1-CZ 3.68Å; D309-R344 VanDerWaalsContact OD1-CZ 3.31Å; D309-R344 IonicContact OD1-NE 3.85Å; D309-R344 PolarHBondContact OD1-NE 2.93Å; D309-R344 IonicContact OD1-NH2 2.72Å; D309-R344 PolarHBondContact OD1-NH2 2.72Å; D309-R344 IonicContact OD2-CZ 2.97Å; D309-R344 IonicContact OD2-NE 2.71Å; D309-R344 IonicContact OD2-NH2 2.76Å; D309-R344 PolarHBondContact OD2-NH2 2.89Å
310L66.9Low77.1Confident98 Ų9828.1 Ų28.151%0.51316%0.155SC..Hα-helixtrans-61.5-32.5-176.6-173.863.7000112.2T308T308-L310 VanDerWaalsContact C-N 3.33Å; T308-L310 PolarHBondContact O-N 2.78Å
311A60Low77.1Confident1 Ų129.1 Ų29.11%0.00815%0.15CC..Hα-helixtrans-88.9-13.5-175.200000113.8L281 R290 T308 D309 L315L281-A311 WeakPolarHBondContact CD2-O 3.36Å; L281-A311 HydrophobicContact CG-CB 4.1Å; L281-A311 VanDerWaalsContact O-CB 3.27Å; L281-A311 WeakPolarHBondContact O-CB 3.23Å; R290-A311 PolarHBondContact NH2-O 3.26Å; T308-A311 PolarHBondContact O-N 2.86Å; T308-A311 VanDerWaalsContact O-N 3.13Å; D309-A311 PolarHBondContact O-N 3.22Å; A311-L315 VanDerWaalsContact O-CD1 3.25Å; A311-L315 WeakPolarHBondContact O-CD1 3.34Å
312S59Low77.2Confident6 Ų622.2 Ų22.24%0.04213%0.125CC..Hα-helixtrans-103.1-13.7-179.354.10000114.1F253 T308 D309 L315F253-S312 VanDerWaalsContact CE1-OG 3.31Å; F253-S312 WeakPolarHBondContact CE1-OG 3.45Å; T308-S312 PolarHBondContact O-N 3.14Å; T308-S312 PolarHBondContact O-OG 3.06Å; D309-S312 PolarHBondContact O-N 3.11Å; D309-S312 PolarHBondContact O-OG 2.92Å; D309-S312 VanDerWaalsContact O-OG 3.04Å; S312-L315 WeakPolarHBondContact O-CB 3.43Å; S312-L315 PolarHBondContact O-N 3.17Å
313R65.8Low77.3Confident18 Ų1821.6 Ų21.67%0.06812%0.121CC..THydrogen-bonded Turntrans-55.4136.7173.4-87.4177.6172.9-179.3-13.2111.7T81 E162 D163 D309 L315 R331T81-R313 HydrophobicContact CG2-CB 4.18Å; E162-R313 IonicContact OE2-CZ 3.01Å; E162-R313 IonicContact OE2-NH2 2.99Å; E162-R313 PolarHBondContact OE2-NH2 3.47Å; D163-R313 IonicContact OD1-CZ 3.11Å; D163-R313 IonicContact OD1-NH1 3.95Å; D163-R313 PolarHBondContact OD1-NH1 3.5Å; D163-R313 IonicContact OD2-NH1 2.75Å; D309-R313 WeakPolarHBondContact O-CG 3.43Å; D309-R313 PolarHBondContact O-N 3.39Å; R313-L315 PolarHBondContact O-N 3.37Å; R313-L315 VanDerWaalsContact O-N 3.11Å; R313-R331 VanDerWaalsContact NE-NH2 3.17Å; R313-R331 VanDerWaalsContact NH2-CZ 3.27Å; R313-R331 VanDerWaalsContact NH2-NH1 3.16Å; R313-R331 VanDerWaalsContact NH2-NH2 3.15Å
314G57Low77.5Confident5 Ų520.1 Ų20.15%0.05211%0.111CC..THydrogen-bonded Turntrans68.6-3.2-177.400000116.2Q87 E156 D316Q87-G314 PolarHBondContact OE1-O 3.3Å; E156-G314 WeakPolarHBondContact OE1-CA 3.24Å; E156-G314 VanDerWaalsContact OE2-CA 3.31Å; E156-G314 WeakPolarHBondContact OE2-CA 3.35Å; G314-D316 PolarHBondContact O-N 2.87Å
315L64Low77.7Confident1 Ų120 Ų201%0.00511%0.11CC..  trans-85.3118.1-177.2-69.7-176.2000112.6E83 L281 L294 A311 S312 R313 F317 R347E83-L315 HydrophobicContact CB-CD2 3.33Å; E83-L315 HydrophobicContact CB-CG 4.31Å; E83-L315 HydrophobicContact CG-CD2 3.78Å; E83-L315 HydrophobicContact CG-CG 4.5Å; L281-L315 HydrophobicContact CD2-CD1 3.46Å; L281-L315 VanDerWaalsContact CD2-CD1 3.46Å; L294-L315 HydrophobicContact CD1-CD1 4.2Å; L294-L315 HydrophobicContact CD2-CD1 4.21Å; L294-L315 HydrophobicContact CD2-CD2 3.59Å; A311-L315 VanDerWaalsContact O-CD1 3.25Å; A311-L315 WeakPolarHBondContact O-CD1 3.34Å; S312-L315 WeakPolarHBondContact O-CB 3.43Å; S312-L315 PolarHBondContact O-N 3.17Å; R313-L315 PolarHBondContact O-N 3.37Å; R313-L315 VanDerWaalsContact O-N 3.11Å; L315-F317 HydrophobicContact CB-CD2 4.36Å; L315-F317 HydrophobicContact CB-CE1 4.19Å; L315-F317 HydrophobicContact CB-CE2 3.7Å; L315-F317 HydrophobicContact CB-CZ 3.61Å; L315-F317 HydrophobicContact CD1-CE1 4.23Å; L315-F317 HydrophobicContact CD1-CZ 3.81Å; L315-F317 HydrophobicContact CG-CZ 4.38Å; L315-F317 WeakPolarHBondContact O-CD2 3.42Å; L315-F317 PolarHBondContact O-N 2.88Å; L315-R347 PolarHBondContact O-NH1 3.4Å
316D64.2Low77.8Confident73 Ų7320.4 Ų20.439%0.3911%0.111SC..  trans-77.9115.1167.1-163.827000109.8R298 G314 R350R298-D316 PolarHBondContact NE-O 3.34Å; R298-D316 PolarHBondContact NH2-O 2.91Å; G314-D316 PolarHBondContact O-N 2.87Å; D316-R350 IonicContact OD1-CZ 3.76Å; D316-R350 IonicContact OD1-NH1 3.8Å; D316-R350 PolarHBondContact OD1-NH1 2.86Å
317F69.1Low77.8Confident2 Ų221.7 Ų21.71%0.00912%0.118CC..  trans-102.2132.3175.4-62.2-74.3000108.9I251 L281 L294 F297 L305 L315 V320 R350I251-F317 HydrophobicContact CD1-CB 4.06Å; I251-F317 HydrophobicContact CD1-CD1 3.96Å; I251-F317 HydrophobicContact CD1-CD2 3.52Å; I251-F317 HydrophobicContact CD1-CE1 4.27Å; I251-F317 HydrophobicContact CD1-CE2 3.86Å; I251-F317 HydrophobicContact CD1-CG 3.56Å; I251-F317 HydrophobicContact CD1-CZ 4.22Å; L281-F317 HydrophobicContact CD2-CE1 4.46Å; L281-F317 HydrophobicContact CD2-CZ 4.25Å; L294-F317 HydrophobicContact CD1-CD1 3.9Å; L294-F317 HydrophobicContact CD1-CE1 3.54Å; F297-F317 AromaticContact CD1-CD1 3.73Å; F297-F317 HydrophobicContact CD1-CD1 3.73Å; F297-F317 HydrophobicContact CD1-CE1 4.37Å; F297-F317 HydrophobicContact CE1-CB 4.13Å; F297-F317 AromaticContact CE1-CD1 3.63Å; F297-F317 HydrophobicContact CE1-CD1 3.63Å; F297-F317 HydrophobicContact CE1-CE1 4.46Å; F297-F317 HydrophobicContact CE1-CG 4.18Å; L305-F317 HydrophobicContact CD2-CD1 4.11Å; L305-F317 HydrophobicContact CD2-CE1 3.31Å; L305-F317 HydrophobicContact CD2-CZ 3.84Å; L315-F317 HydrophobicContact CB-CD2 4.36Å; L315-F317 HydrophobicContact CB-CE1 4.19Å; L315-F317 HydrophobicContact CB-CE2 3.7Å; L315-F317 HydrophobicContact CB-CZ 3.61Å; L315-F317 HydrophobicContact CD1-CE1 4.23Å; L315-F317 HydrophobicContact CD1-CZ 3.81Å; L315-F317 HydrophobicContact CG-CZ 4.38Å; L315-F317 WeakPolarHBondContact O-CD2 3.42Å; L315-F317 PolarHBondContact O-N 2.88Å; F317-V320 HydrophobicContact CB-CG2 3.75Å; F317-R350 VanDerWaalsContact N-NH1 3.2Å; F317-R350 PolarHBondContact O-NH1 3.26Å; F317-R350 VanDerWaalsContact O-NH1 3.13Å
318P63.9Low77.8Confident43 Ų4322 Ų2228%0.27912%0.12SC..SBendtrans-67.5146.517328.2-31.8000109.6R298 V320R298-P318 HydrophobicContact CB-CG 4.26Å; R298-P318 HydrophobicContact CG-CG 3.98Å; P318-V320 WeakPolarHBondContact O-CG2 3.43Å; P318-V320 PolarHBondContact O-N 2.92Å; P318-V320 VanDerWaalsContact O-N 3.1Å
319D69.2Low77.7Confident59 Ų5921.3 Ų21.332%0.31612%0.116SC..  trans1.989.7175.3-63.1-15.1000114.3R249 R353R249-D319 PolarHBondContact NH1-O 3.26Å; D319-R353 IonicContact OD2-CZ 3.27Å; D319-R353 IonicContact OD2-NE 3.96Å; D319-R353 IonicContact OD2-NH1 2.72Å; D319-R353 PolarHBondContact OD2-NH1 2.88Å
320V84.5Confident78Confident7 Ų728.6 Ų28.64%0.04214%0.142CC..  trans-97.9123.7173.6-179.40000107.4I251 F297 F317 P318 L322 V323 T348I251-V320 HydrophobicContact CB-CG1 4.39Å; I251-V320 HydrophobicContact CD1-CG1 4.21Å; I251-V320 HydrophobicContact CD1-CG2 3.68Å; I251-V320 HydrophobicContact CG1-CG1 3.89Å; I251-V320 HydrophobicContact CG1-CG2 4.06Å; F297-V320 HydrophobicContact CE1-CG2 4.24Å; F297-V320 HydrophobicContact CZ-CG2 4.19Å; F317-V320 HydrophobicContact CB-CG2 3.75Å; P318-V320 WeakPolarHBondContact O-CG2 3.43Å; P318-V320 PolarHBondContact O-N 2.92Å; P318-V320 VanDerWaalsContact O-N 3.1Å; V320-L322 WeakPolarHBondContact CG1-O 3.33Å; V320-V323 HydrophobicContact CG1-CG2 4.09Å; V320-T348 WeakPolarHBondContact O-CA 3.34Å; V320-T348 WeakPolarHBondContact O-CB 3.3Å; V320-T348 PolarHBondContact O-OG1 3.29Å
321D86.6Confident78.5Confident63 Ų6326.9 Ų26.934%0.33713%0.128SC..  trans-88.3-35.8-177.5-51.3-78.5000111.7S248 R249 T348 R356S248-D321 WeakPolarHBondContact CA-OD2 3.34Å; R249-D321 PolarHBondContact N-OD2 3.26Å; R249-D321 PolarHBondContact O-N 3.29Å; D321-T348 PolarHBondContact O-OG1 2.92Å; D321-R356 PolarHBondContact O-N 3.16Å
322L89.7Confident79Confident7 Ų733.2 Ų33.24%0.03717%0.169CC..EExtended strand (participates in β ladder)trans-129.7122.9-175-178.362.7000111.8R249 S250 I251 V320 I324 R356 I358R249-L322 PolarHBondContact O-N 2.76Å; S250-L322 CarbonylContact C-O 3.6Å; S250-L322 VanDerWaalsContact CA-O 3.23Å; S250-L322 WeakPolarHBondContact CA-O 3.41Å; I251-L322 PolarHBondContact N-O 3.04Å; V320-L322 WeakPolarHBondContact CG1-O 3.33Å; L322-I324 HydrophobicContact CD1-CG1 4.26Å; L322-I324 HydrophobicContact CD2-CD1 3.8Å; L322-I324 HydrophobicContact CD2-CG1 3.95Å; L322-I324 HydrophobicContact CG-CD1 4.24Å; L322-I324 HydrophobicContact CG-CG1 3.82Å; L322-R356 CarbonylContact C-O 3.56Å; L322-R356 WeakPolarHBondContact CA-O 3.42Å; L322-R356 HydrophobicContact CD1-CB 4.11Å; L322-R356 HydrophobicContact CD1-CG 3.99Å; L322-I358 HydrophobicContact CD1-CD1 4.39Å
323V91.9Very high79.8Confident0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans-106.4124.2167.8174.50000108.8I251 F253 V320 R347 T348 R356 A357 I358I251-V323 CarbonylContact O-C 3.57Å; I251-V323 WeakPolarHBondContact O-CA 3.32Å; F253-V323 HydrophobicContact CD2-CG1 3.82Å; F253-V323 HydrophobicContact CE2-CG1 3.79Å; V320-V323 HydrophobicContact CG1-CG2 4.09Å; V323-R347 HydrophobicContact CG2-CB 4.08Å; V323-T348 HydrophobicContact CB-CG2 4.43Å; V323-T348 HydrophobicContact CG2-CG2 3.9Å; V323-R356 PolarHBondContact N-O 3.16Å; V323-A357 HydrophobicContact CB-CB 4.11Å; V323-A357 CarbonylContact O-C 3.58Å; V323-A357 VanDerWaalsContact O-CA 3.25Å; V323-A357 WeakPolarHBondContact O-CA 3.4Å; V323-I358 PolarHBondContact O-N 2.92Å
324I94.9Very high80.3Confident0 Ų040.8 Ų40.80%021%0.205CC..EExtended strand (participates in β ladder)trans-113109.9175.1-52.3179.1000108.5L235 L238 L239 I251 I252 F253 L322 Y326 I358 F360L235-I324 HydrophobicContact CD1-CD1 3.55Å; L235-I324 HydrophobicContact CD1-CG2 4.1Å; L238-I324 HydrophobicContact CB-CD1 4.18Å; L238-I324 HydrophobicContact CD1-CD1 4.27Å; L239-I324 HydrophobicContact CD2-CD1 4.19Å; L239-I324 HydrophobicContact CG-CD1 4.41Å; I251-I324 PolarHBondContact O-N 3.04Å; I252-I324 CarbonylContact C-O 3.58Å; I252-I324 VanDerWaalsContact CA-O 3.31Å; I252-I324 WeakPolarHBondContact CA-O 3.37Å; I252-I324 HydrophobicContact CG1-CB 4.27Å; I252-I324 HydrophobicContact CG1-CD1 4.41Å; F253-I324 PolarHBondContact N-O 2.8Å; L322-I324 HydrophobicContact CD1-CG1 4.26Å; L322-I324 HydrophobicContact CD2-CD1 3.8Å; L322-I324 HydrophobicContact CD2-CG1 3.95Å; L322-I324 HydrophobicContact CG-CD1 4.24Å; L322-I324 HydrophobicContact CG-CG1 3.82Å; I324-Y326 VanDerWaalsContact C-N 3.3Å; I324-Y326 PolarHBondContact O-N 3.42Å; I324-I358 CarbonylContact C-O 3.59Å; I324-I358 WeakPolarHBondContact CA-O 3.4Å; I324-F360 HydrophobicContact CG2-CD1 4.47Å; I324-F360 HydrophobicContact CG2-CE1 3.89Å; I324-F360 HydrophobicContact CG2-CE2 4.28Å; I324-F360 HydrophobicContact CG2-CZ 3.79Å
325N95.7Very high81Confident0 Ų043.1 Ų43.10%022%0.22CC..EExtended strand (participates in β ladder)trans-80.385.2167.2-66.2-44.1000108.2D327 R344 I358 T359 F360N325-D327 PolarHBondContact O-N 3.19Å; N325-R344 WeakPolarHBondContact OD1-CD 3.39Å; N325-R344 PolarHBondContact OD1-NH1 2.95Å; N325-I358 PolarHBondContact N-O 3.21Å; N325-T359 HydrophobicContact CB-CG2 3.79Å; N325-T359 PolarHBondContact ND2-OG1 3.36Å; N325-F360 PolarHBondContact O-N 3.05Å
326Y96.7Very high81.5Confident10 Ų1045.2 Ų45.24%0.03923%0.231CC..SBendtrans-57-37.5175.9-173.2-90.6000110.5K231 D232 L235 F253 T254 R262 I263 I324 F360K231-Y326 HydrophobicContact CB-CE2 3.73Å; K231-Y326 WeakPolarHBondContact CB-OH 3.24Å; K231-Y326 HydrophobicContact CD-CE1 4.4Å; K231-Y326 VanDerWaalsContact CE-CE1 3.43Å; K231-Y326 WeakPolarHBondContact CE-O 3.47Å; K231-Y326 VanDerWaalsContact NZ-CE1 3.27Å; K231-Y326 PolarHBondContact NZ-O 3.49Å; D232-Y326 PolarHBondContact OD1-OH 3.39Å; L235-Y326 HydrophobicContact CD2-CD2 4.09Å; L235-Y326 HydrophobicContact CD2-CE2 4.21Å; F253-Y326 WeakPolarHBondContact O-CB 3.35Å; F253-Y326 PolarHBondContact O-N 3.11Å; T254-Y326 HydrophobicContact CG2-CD1 4.37Å; R262-Y326 PolarHBondContact NH2-OH 3.16Å; R262-Y326 VanDerWaalsContact NH2-OH 3.14Å; I263-Y326 HydrophobicContact CD1-CD1 3.8Å; I263-Y326 HydrophobicContact CD1-CD2 3.82Å; I263-Y326 HydrophobicContact CD1-CE1 3.94Å; I263-Y326 HydrophobicContact CD1-CE2 3.96Å; I263-Y326 HydrophobicContact CD1-CG 3.75Å; I324-Y326 VanDerWaalsContact C-N 3.3Å; I324-Y326 PolarHBondContact O-N 3.42Å; Y326-F360 AromaticContact CD2-CD2 3.9Å; Y326-F360 HydrophobicContact CD2-CD2 3.9Å; Y326-F360 AromaticContact CD2-CE2 3.86Å; Y326-F360 HydrophobicContact CD2-CE2 3.86Å; Y326-F360 HydrophobicContact CE2-CD2 4.3Å; Y326-F360 HydrophobicContact CE2-CE2 4.23Å; Y326-F360 HydrophobicContact CG-CD2 4.45Å
327D94.6Very high82.3Confident27 Ų2741.8 Ų41.814%0.14421%0.213CC..SBendtrans-119.9138.9168.1-58-44.4000111.3K231 F253 S255 N325 R344K231-D327 IonicContact NZ-OD1 3.51Å; K231-D327 PolarHBondContact NZ-OD1 2.9Å; F253-D327 PolarHBondContact O-N 3.32Å; S255-D327 WeakPolarHBondContact CB-OD2 3.48Å; S255-D327 PolarHBondContact N-OD2 3.2Å; S255-D327 WeakPolarHBondContact OG-CB 3.49Å; S255-D327 PolarHBondContact OG-OD2 2.91Å; N325-D327 PolarHBondContact O-N 3.19Å; D327-R344 PolarHBondContact O-NH1 3.19Å
328V92.8Very high82.9Confident5 Ų541.9 Ų41.93%0.0321%0.214CC..  trans-56.7132.3168.2-174.90000109.5R330 T359 F360 V361 S365 R368 I372V328-R330 PolarHBondContact O-N 2.82Å; V328-T359 HydrophobicContact CG2-CG2 3.98Å; V328-F360 WeakPolarHBondContact CG2-O 3.41Å; V328-V361 HydrophobicContact CG2-CG2 3.98Å; V328-S365 WeakPolarHBondContact CG2-OG 3.37Å; V328-R368 HydrophobicContact CG1-CB 3.79Å; V328-I372 HydrophobicContact CG1-CD1 3.6Å
329P88Confident83.5Confident0 Ų041.9 Ų41.90%021%0.21CC..  trans-51.2127.4-178.2-24.830.4000112.9S337 A340 Y341P329-S337 PolarHBondContact O-OG 2.89Å; P329-A340 HydrophobicContact CB-CB 3.82Å; P329-A340 HydrophobicContact CG-CB 4.45Å; P329-Y341 HydrophobicContact CG-CD2 4.49Å
330R83.1Confident84.1Confident175 Ų17539.4 Ų39.466%0.6620%0.197SC*.  trans-112.698.6-179.4-171.4179.9179.1-160.3-0.7109.7V328V328-R330 PolarHBondContact O-N 2.82Å
331R76.8Confident84.2Confident63 Ų6339.1 Ų39.124%0.23820%0.196CC..  trans-116.1163172.9-67.6-66.8-175.2163.61.3111R313 S333 D336 S337 A340R313-R331 VanDerWaalsContact NE-NH2 3.17Å; R313-R331 VanDerWaalsContact NH2-CZ 3.27Å; R313-R331 VanDerWaalsContact NH2-NH1 3.16Å; R313-R331 VanDerWaalsContact NH2-NH2 3.15Å; R331-S333 VanDerWaalsContact C-N 3.3Å; R331-S333 PolarHBondContact O-N 2.82Å; R331-D336 HydrophobicContact CB-CB 3.6Å; R331-D336 HydrophobicContact CG-CB 4.04Å; R331-S337 PolarHBondContact N-OG 2.99Å; R331-A340 HydrophobicContact CG-CB 4.17Å
332P72Confident84Confident133 Ų13338.3 Ų38.386%0.86419%0.191SC*.SBendtrans-60.8-38.1-177.9-23.334.4000113.1
333S75.3Confident83.4Confident49 Ų4940.2 Ų40.234%0.34320%0.199SC..SBendtrans-107.3149.8175.5177.30000111.8R331 S335 D336 S337R331-S333 VanDerWaalsContact C-N 3.3Å; R331-S333 PolarHBondContact O-N 2.82Å; S333-S335 VanDerWaalsContact C-N 3.31Å; S333-S335 PolarHBondContact O-N 2.89Å; S333-S335 PolarHBondContact OG-N 3.15Å; S333-S335 PolarHBondContact OG-OG 2.95Å; S333-D336 PolarHBondContact O-N 3Å; S333-S337 PolarHBondContact O-N 2.86Å; S333-S337 VanDerWaalsContact O-N 3.1Å
334W75.7Confident83.1Confident135 Ų13540.3 Ų40.351%0.51120%0.2SC..Hα-helixtrans-58.9-40173.2-62.2124.4000112.9D336 S337 A338 T367 R368 A371W334-D336 VanDerWaalsContact C-N 3.27Å; W334-D336 PolarHBondContact O-N 3.25Å; W334-S337 WeakPolarHBondContact O-CB 3.08Å; W334-S337 PolarHBondContact O-N 3.01Å; W334-A338 PolarHBondContact O-N 3.46Å; W334-T367 HydrophobicContact CH2-CG2 4.31Å; W334-R368 HydrophobicContact CH2-CG 4.35Å; W334-R368 HydrophobicContact CZ3-CB 4.1Å; W334-R368 HydrophobicContact CZ3-CG 3.91Å; W334-A371 HydrophobicContact CB-CB 4.06Å; W334-A371 HydrophobicContact CD2-CB 3.41Å; W334-A371 VanDerWaalsContact CD2-CB 3.41Å; W334-A371 HydrophobicContact CE3-CB 3.13Å; W334-A371 HydrophobicContact CG-CB 3.84Å; W334-A371 HydrophobicContact CH2-CB 4.39Å; W334-A371 HydrophobicContact CZ3-CB 3.69Å
335S73.1Confident82.6Confident54 Ų5440.6 Ų40.638%0.37820%0.201SC..Hα-helixtrans-59.8-39.3176.358.20000111.9S333 A338 K339S333-S335 VanDerWaalsContact C-N 3.31Å; S333-S335 PolarHBondContact O-N 2.89Å; S333-S335 PolarHBondContact OG-N 3.15Å; S333-S335 PolarHBondContact OG-OG 2.95Å; S335-A338 PolarHBondContact O-N 3.35Å; S335-K339 WeakPolarHBondContact O-CG 3.34Å; S335-K339 PolarHBondContact O-N 3.06Å
336D73.8Confident81.7Confident44 Ų4442 Ų4224%0.23522%0.215CC..Hα-helixtrans-76-32.9-177.4-60-19.8000111R331 S333 W334 A338 K339 A340R331-D336 HydrophobicContact CB-CB 3.6Å; R331-D336 HydrophobicContact CG-CB 4.04Å; S333-D336 PolarHBondContact O-N 3Å; W334-D336 VanDerWaalsContact C-N 3.27Å; W334-D336 PolarHBondContact O-N 3.25Å; D336-A338 VanDerWaalsContact C-N 3.31Å; D336-K339 PolarHBondContact O-N 3.38Å; D336-K339 IonicContact OD1-NZ 3.82Å; D336-A340 VanDerWaalsContact O-CB 3.26Å; D336-A340 WeakPolarHBondContact O-CB 3.42Å; D336-A340 PolarHBondContact O-N 3.35Å
337S80.7Confident80.8Confident2 Ų241.9 Ų41.91%0.01422%0.215CC..Hα-helixtrans-62.6-39.8170.7-89.90000111.3P329 R331 S333 W334 A340 Y341P329-S337 PolarHBondContact O-OG 2.89Å; R331-S337 PolarHBondContact N-OG 2.99Å; S333-S337 PolarHBondContact O-N 2.86Å; S333-S337 VanDerWaalsContact O-N 3.1Å; W334-S337 WeakPolarHBondContact O-CB 3.08Å; W334-S337 PolarHBondContact O-N 3.01Å; S337-A340 PolarHBondContact O-N 3.31Å; S337-Y341 WeakPolarHBondContact O-CB 3.4Å; S337-Y341 PolarHBondContact O-N 2.92Å
338A81.5Confident79.9Confident4 Ų440.7 Ų40.73%0.03321%0.209CC..Hα-helixtrans-67-45.9175.700000112.1W334 S335 D336 A340 Y341 I342 I372 A375 L376W334-A338 PolarHBondContact O-N 3.46Å; S335-A338 PolarHBondContact O-N 3.35Å; D336-A338 VanDerWaalsContact C-N 3.31Å; A338-A340 VanDerWaalsContact C-N 3.32Å; A338-A340 PolarHBondContact O-N 2.93Å; A338-Y341 WeakPolarHBondContact O-CB 3.49Å; A338-Y341 PolarHBondContact O-N 2.91Å; A338-Y341 VanDerWaalsContact O-N 3.17Å; A338-I342 VanDerWaalsContact O-CG1 3.3Å; A338-I342 WeakPolarHBondContact O-CG1 3.38Å; A338-I342 PolarHBondContact O-N 3.23Å; A338-I372 HydrophobicContact CB-CG1 4.49Å; A338-I372 HydrophobicContact CB-CG2 4.36Å; A338-A375 HydrophobicContact CB-CB 3.5Å; A338-A375 VanDerWaalsContact CB-CB 3.5Å; A338-L376 HydrophobicContact CB-CD2 4.49Å
339K77.1Confident78.9Confident43 Ų4340.7 Ų40.719%0.18721%0.209CC..Hα-helixtrans-57.9-45.2172.8-69.3174.1-174.8170.60112E162 S335 D336 Y341 I342 H343E162-K339 IonicContact OE1-NZ 2.61Å; S335-K339 WeakPolarHBondContact O-CG 3.34Å; S335-K339 PolarHBondContact O-N 3.06Å; D336-K339 PolarHBondContact O-N 3.38Å; D336-K339 IonicContact OD1-NZ 3.82Å; K339-Y341 VanDerWaalsContact C-N 3.32Å; K339-Y341 PolarHBondContact O-N 2.75Å; K339-I342 PolarHBondContact O-N 2.96Å; K339-H343 WeakPolarHBondContact O-CB 2.87Å; K339-H343 VanDerWaalsContact O-CG 3.24Å; K339-H343 PolarHBondContact O-N 3.45Å
340A81.8Confident77.9Confident6 Ų642.6 Ų42.65%0.0522%0.216CC..Hα-helixtrans-60.6-42.3176.900000111.4P329 R331 D336 S337 A338 I342 H343 R344P329-A340 HydrophobicContact CB-CB 3.82Å; P329-A340 HydrophobicContact CG-CB 4.45Å; R331-A340 HydrophobicContact CG-CB 4.17Å; D336-A340 VanDerWaalsContact O-CB 3.26Å; D336-A340 WeakPolarHBondContact O-CB 3.42Å; D336-A340 PolarHBondContact O-N 3.35Å; S337-A340 PolarHBondContact O-N 3.31Å; A338-A340 VanDerWaalsContact C-N 3.32Å; A338-A340 PolarHBondContact O-N 2.93Å; A340-I342 PolarHBondContact O-N 3.08Å; A340-H343 PolarHBondContact O-N 3.27Å; A340-R344 VanDerWaalsContact O-CG 3.28Å; A340-R344 WeakPolarHBondContact O-CG 3.26Å; A340-R344 PolarHBondContact O-N 3.15Å
341Y87.1Confident76.8Confident2 Ų239.3 Ų39.31%0.00823%0.227CC..Hα-helixtrans-55.9-52174.3178-93000111.7H221 P329 S337 A338 K339 H343 R344 V345 T359 I372 L376 I380H221-Y341 AromaticContact ND1-CE1 3.64Å; H221-Y341 AromaticContact ND1-CZ 3.68Å; H221-Y341 PolarHBondContact ND1-OH 2.95Å; P329-Y341 HydrophobicContact CG-CD2 4.49Å; S337-Y341 WeakPolarHBondContact O-CB 3.4Å; S337-Y341 PolarHBondContact O-N 2.92Å; A338-Y341 WeakPolarHBondContact O-CB 3.49Å; A338-Y341 PolarHBondContact O-N 2.91Å; A338-Y341 VanDerWaalsContact O-N 3.17Å; K339-Y341 VanDerWaalsContact C-N 3.32Å; K339-Y341 PolarHBondContact O-N 2.75Å; Y341-H343 VanDerWaalsContact C-N 3.31Å; Y341-H343 PolarHBondContact O-N 3.44Å; Y341-R344 WeakPolarHBondContact O-CB 3.43Å; Y341-R344 PolarHBondContact O-N 3.47Å; Y341-V345 HydrophobicContact CD1-CG1 4.36Å; Y341-V345 HydrophobicContact CD1-CG2 4.44Å; Y341-V345 HydrophobicContact CD2-CG1 4.45Å; Y341-V345 HydrophobicContact CE1-CG1 3.91Å; Y341-V345 HydrophobicContact CE1-CG2 4.2Å; Y341-V345 HydrophobicContact CE2-CG1 4.04Å; Y341-V345 PolarHBondContact O-N 3.4Å; Y341-T359 HydrophobicContact CE2-CG2 4.5Å; Y341-T359 WeakPolarHBondContact CE2-OG1 3.37Å; Y341-I372 HydrophobicContact CD1-CG2 4.03Å; Y341-I372 HydrophobicContact CD2-CD1 4.44Å; Y341-I372 HydrophobicContact CD2-CG2 4.4Å; Y341-I372 HydrophobicContact CG-CG2 3.88Å; Y341-L376 HydrophobicContact CD1-CD1 4.01Å; Y341-L376 HydrophobicContact CE1-CD1 4.15Å; Y341-I380 HydrophobicContact CE1-CD1 3.96Å; Y341-I380 HydrophobicContact CE2-CD1 4.12Å
342I81.8Confident76Confident46 Ų4638.1 Ų38.124%0.23623%0.234CC..Hα-helixtrans-59-44.4179.2-61.5167.6000110.8Y213 A338 K339 A340 R344 V345 G346 L376Y213-I342 HydrophobicContact CD1-CD1 3.48Å; Y213-I342 VanDerWaalsContact CD1-CD1 3.48Å; Y213-I342 HydrophobicContact CE1-CD1 3.07Å; Y213-I342 HydrophobicContact CE1-CG1 4.46Å; A338-I342 VanDerWaalsContact O-CG1 3.3Å; A338-I342 WeakPolarHBondContact O-CG1 3.38Å; A338-I342 PolarHBondContact O-N 3.23Å; K339-I342 PolarHBondContact O-N 2.96Å; A340-I342 PolarHBondContact O-N 3.08Å; I342-R344 VanDerWaalsContact C-N 3.26Å; I342-R344 PolarHBondContact O-N 3.21Å; I342-V345 WeakPolarHBondContact O-CG2 3.39Å; I342-V345 PolarHBondContact O-N 3.19Å; I342-G346 PolarHBondContact O-N 2.62Å; I342-L376 HydrophobicContact CD1-CD2 3.26Å; I342-L376 HydrophobicContact CG1-CD2 3.58Å
343H77.7Confident75.8Confident46 Ų4638.4 Ų38.421%0.21322%0.218CC..Hα-helixtrans-64.4-29.8177.9-70.4171.4000113.6K339 A340 Y341 R347K339-H343 WeakPolarHBondContact O-CB 2.87Å; K339-H343 VanDerWaalsContact O-CG 3.24Å; K339-H343 PolarHBondContact O-N 3.45Å; A340-H343 PolarHBondContact O-N 3.27Å; Y341-H343 VanDerWaalsContact C-N 3.31Å; Y341-H343 PolarHBondContact O-N 3.44Å; H343-R347 WeakPolarHBondContact O-CG 3.34Å; H343-R347 PolarHBondContact O-NE 3.02Å
344R85.7Confident75.8Confident3 Ų343.2 Ų43.21%0.01124%0.235CC..Hα-helixtrans-75.8-49.5175.4-71-176.3-171.3-171.60.3111F253 D309 N325 D327 A340 Y341 I342 G346 R347F253-R344 HydrophobicContact CD1-CG 4.11Å; F253-R344 HydrophobicContact CD2-CB 3.74Å; F253-R344 HydrophobicContact CD2-CG 3.64Å; F253-R344 HydrophobicContact CE1-CG 4.19Å; F253-R344 HydrophobicContact CE2-CB 3.63Å; F253-R344 HydrophobicContact CE2-CG 3.71Å; F253-R344 HydrophobicContact CG-CB 4.43Å; F253-R344 HydrophobicContact CG-CG 3.84Å; F253-R344 HydrophobicContact CZ-CB 4.28Å; F253-R344 HydrophobicContact CZ-CG 3.99Å; D309-R344 IonicContact OD1-CZ 3.68Å; D309-R344 VanDerWaalsContact OD1-CZ 3.31Å; D309-R344 IonicContact OD1-NE 3.85Å; D309-R344 PolarHBondContact OD1-NE 2.93Å; D309-R344 IonicContact OD1-NH2 2.72Å; D309-R344 PolarHBondContact OD1-NH2 2.72Å; D309-R344 IonicContact OD2-CZ 2.97Å; D309-R344 IonicContact OD2-NE 2.71Å; D309-R344 IonicContact OD2-NH2 2.76Å; D309-R344 PolarHBondContact OD2-NH2 2.89Å; N325-R344 WeakPolarHBondContact OD1-CD 3.39Å; N325-R344 PolarHBondContact OD1-NH1 2.95Å; D327-R344 PolarHBondContact O-NH1 3.19Å; A340-R344 VanDerWaalsContact O-CG 3.28Å; A340-R344 WeakPolarHBondContact O-CG 3.26Å; A340-R344 PolarHBondContact O-N 3.15Å; Y341-R344 WeakPolarHBondContact O-CB 3.43Å; Y341-R344 PolarHBondContact O-N 3.47Å; I342-R344 VanDerWaalsContact C-N 3.26Å; I342-R344 PolarHBondContact O-N 3.21Å; R344-G346 VanDerWaalsContact C-N 3.34Å; R344-G346 PolarHBondContact O-N 3.27Å; R344-R347 WeakPolarHBondContact O-CB 3.24Å; R344-R347 VanDerWaalsContact O-CG 3.25Å; R344-R347 WeakPolarHBondContact O-CG 3.48Å; R344-R347 PolarHBondContact O-N 3.09Å
345V84.1Confident76Confident6 Ų637 Ų374%0.03621%0.213CC..Hα-helixtrans-69.5-32-178.6-54.90000112.1L219 Y341 I342 R347 T348 A357L219-V345 HydrophobicContact CD1-CB 4.5Å; L219-V345 HydrophobicContact CD2-CB 4.06Å; L219-V345 HydrophobicContact CD2-CG2 3.8Å; Y341-V345 HydrophobicContact CD1-CG1 4.36Å; Y341-V345 HydrophobicContact CD1-CG2 4.44Å; Y341-V345 HydrophobicContact CD2-CG1 4.45Å; Y341-V345 HydrophobicContact CE1-CG1 3.91Å; Y341-V345 HydrophobicContact CE1-CG2 4.2Å; Y341-V345 HydrophobicContact CE2-CG1 4.04Å; Y341-V345 PolarHBondContact O-N 3.4Å; I342-V345 WeakPolarHBondContact O-CG2 3.39Å; I342-V345 PolarHBondContact O-N 3.19Å; V345-R347 PolarHBondContact O-N 3.14Å; V345-T348 VanDerWaalsContact O-CG2 3.24Å; V345-T348 WeakPolarHBondContact O-CG2 3.45Å; V345-T348 PolarHBondContact O-N 3.02Å; V345-A357 HydrophobicContact CB-CB 3.78Å; V345-A357 HydrophobicContact CG1-CB 3.62Å
346G77.2Confident76.8Confident28 Ų2840.5 Ų40.529%0.28922%0.218SC..THydrogen-bonded Turntrans-70.15.1172.600000115.1I342 R344 T348 R350I342-G346 PolarHBondContact O-N 2.62Å; R344-G346 VanDerWaalsContact C-N 3.34Å; R344-G346 PolarHBondContact O-N 3.27Å; G346-T348 VanDerWaalsContact C-N 3.31Å; G346-R350 PolarHBondContact O-NE 3.28Å
347R77.5Confident77.7Confident8 Ų838.4 Ų38.43%0.0321%0.206CC..THydrogen-bonded Turntrans-78.4-18.7169-58.2-63.1157.1178.7-7.7112.6I251 F253 L315 V323 H343 R344 V345I251-R347 HydrophobicContact CD1-CB 4.44Å; F253-R347 HydrophobicContact CE2-CG 4.38Å; F253-R347 HydrophobicContact CZ-CG 4.14Å; L315-R347 PolarHBondContact O-NH1 3.4Å; V323-R347 HydrophobicContact CG2-CB 4.08Å; H343-R347 WeakPolarHBondContact O-CG 3.34Å; H343-R347 PolarHBondContact O-NE 3.02Å; R344-R347 WeakPolarHBondContact O-CB 3.24Å; R344-R347 VanDerWaalsContact O-CG 3.25Å; R344-R347 WeakPolarHBondContact O-CG 3.48Å; R344-R347 PolarHBondContact O-N 3.09Å; V345-R347 PolarHBondContact O-N 3.14Å
348T75.5Confident78.3Confident3 Ų338.5 Ų38.52%0.01821%0.207CC..SBendtrans-106.9178.6171.8-172.10000110.6L219 V320 D321 V323 V345 G346 R350 G355 A357L219-T348 HydrophobicContact CD1-CG2 3.48Å; L219-T348 VanDerWaalsContact CD1-CG2 3.48Å; V320-T348 WeakPolarHBondContact O-CA 3.34Å; V320-T348 WeakPolarHBondContact O-CB 3.3Å; V320-T348 PolarHBondContact O-OG1 3.29Å; D321-T348 PolarHBondContact O-OG1 2.92Å; V323-T348 HydrophobicContact CB-CG2 4.43Å; V323-T348 HydrophobicContact CG2-CG2 3.9Å; V345-T348 VanDerWaalsContact O-CG2 3.24Å; V345-T348 WeakPolarHBondContact O-CG2 3.45Å; V345-T348 PolarHBondContact O-N 3.02Å; G346-T348 VanDerWaalsContact C-N 3.31Å; T348-R350 PolarHBondContact O-N 3.45Å; T348-G355 WeakPolarHBondContact OG1-CA 3.19Å; T348-A357 HydrophobicContact CG2-CB 4.45Å
349A70.8Confident79Confident5 Ų538.3 Ų38.34%0.04121%0.205CC..SBendtrans58.427.1-178.500000115.3V216 L219 R353V216-A349 HydrophobicContact CB-CB 4.48Å; V216-A349 HydrophobicContact CG1-CB 3.8Å; V216-A349 WeakPolarHBondContact CG1-O 3.48Å; L219-A349 HydrophobicContact CB-CB 3.97Å; L219-A349 HydrophobicContact CD1-CB 4.29Å; A349-R353 VanDerWaalsContact CA-O 3.27Å; A349-R353 WeakPolarHBondContact CA-O 3.21Å
350R66.9Low80Confident39 Ų3936.3 Ų36.315%0.14720%0.197CC..G310 helixtrans-75.2152179.2-68177170.4-166.1-17.5111.6T50 D316 F317 G346 T348 G352 R353T50-R350 PolarHBondContact OG1-NH2 3.37Å; D316-R350 IonicContact OD1-CZ 3.76Å; D316-R350 IonicContact OD1-NH1 3.8Å; D316-R350 PolarHBondContact OD1-NH1 2.86Å; F317-R350 VanDerWaalsContact N-NH1 3.2Å; F317-R350 PolarHBondContact O-NH1 3.26Å; F317-R350 VanDerWaalsContact O-NH1 3.13Å; G346-R350 PolarHBondContact O-NE 3.28Å; T348-R350 PolarHBondContact O-N 3.45Å; R350-G352 PolarHBondContact O-N 3.35Å; R350-G352 VanDerWaalsContact O-N 3.09Å; R350-R353 PolarHBondContact O-N 2.99Å; R350-R353 VanDerWaalsContact O-N 3.11Å
351A60.1Low80.7Confident107 Ų10736 Ų3688%0.88419%0.194SC*.G310 helixtrans52.929.5178.700000114.7
352G60.4Low81.1Confident38 Ų3836.3 Ų36.339%0.39220%0.196SC..G310 helixtrans78.615.3178.400000115K218 R350K218-G352 WeakPolarHBondContact CD-O 3.3Å; K218-G352 WeakPolarHBondContact CE-O 2.96Å; K218-G352 PolarHBondContact NZ-O 3.02Å; R350-G352 PolarHBondContact O-N 3.35Å; R350-G352 VanDerWaalsContact O-N 3.09Å
353R67.6Low81.7Confident139 Ų13937.8 Ų37.853%0.52521%0.209SC..  trans-76.6156167.8-67.3-171.212797.512.7111.1K218 D319 A349 R350K218-R353 WeakPolarHBondContact CB-O 3.39Å; D319-R353 IonicContact OD2-CZ 3.27Å; D319-R353 IonicContact OD2-NE 3.96Å; D319-R353 IonicContact OD2-NH1 2.72Å; D319-R353 PolarHBondContact OD2-NH1 2.88Å; A349-R353 VanDerWaalsContact CA-O 3.27Å; A349-R353 WeakPolarHBondContact CA-O 3.21Å; R350-R353 PolarHBondContact O-N 2.99Å; R350-R353 VanDerWaalsContact O-N 3.11Å
354H75.5Confident82.4Confident150 Ų15044.4 Ų44.469%0.69423%0.233SC*.  trans-70.6139.9165.5-71.8-77.3000109.3
355G81Confident82.7Confident5 Ų544.6 Ų44.65%0.05224%0.235CC..EExtended strand (participates in β ladder)trans-141.4139.917900000110.7K218 D220 T348K218-G355 PolarHBondContact O-N 2.85Å; D220-G355 PolarHBondContact N-O 3.28Å; T348-G355 WeakPolarHBondContact OG1-CA 3.19Å
356R89.1Confident83Confident126 Ų12646.1 Ų46.148%0.47525%0.245SC..EExtended strand (participates in β ladder)trans-112.4134.1178.3-177.9167.3-79.5171.5-3.8111.2D220 D321 L322 V323 I358D220-R356 CarbonylContact O-C 3.4Å; D220-R356 VanDerWaalsContact O-CA 3.25Å; D220-R356 WeakPolarHBondContact O-CA 3.46Å; D220-R356 IonicContact OD2-CZ 3.79Å; D220-R356 VanDerWaalsContact OD2-CZ 3.28Å; D220-R356 IonicContact OD2-NE 3.42Å; D220-R356 PolarHBondContact OD2-NE 3.36Å; D220-R356 IonicContact OD2-NH2 3.91Å; D220-R356 PolarHBondContact OD2-NH2 3.12Å; D321-R356 PolarHBondContact O-N 3.16Å; L322-R356 CarbonylContact C-O 3.56Å; L322-R356 WeakPolarHBondContact CA-O 3.42Å; L322-R356 HydrophobicContact CD1-CB 4.11Å; L322-R356 HydrophobicContact CD1-CG 3.99Å; V323-R356 PolarHBondContact N-O 3.16Å; R356-I358 HydrophobicContact CG-CD1 4.34Å; R356-I358 HydrophobicContact CG-CG1 4.05Å
357A91.8Very high83.7Confident0 Ų049.4 Ų49.40%026%0.259CS..EExtended strand (participates in β ladder)trans-126.8115.6173.400000111.6L219 D220 H221 A222 V323 V345 T348L219-A357 HydrophobicContact CD1-CB 4.24Å; D220-A357 PolarHBondContact O-N 2.88Å; H221-A357 CarbonylContact C-O 3.59Å; H221-A357 VanDerWaalsContact CA-O 3.26Å; H221-A357 WeakPolarHBondContact CA-O 3.32Å; H221-A357 HydrophobicContact CB-CB 3.95Å; A222-A357 PolarHBondContact N-O 3.39Å; V323-A357 HydrophobicContact CB-CB 4.11Å; V323-A357 CarbonylContact O-C 3.58Å; V323-A357 VanDerWaalsContact O-CA 3.25Å; V323-A357 WeakPolarHBondContact O-CA 3.4Å; V345-A357 HydrophobicContact CB-CB 3.78Å; V345-A357 HydrophobicContact CG1-CB 3.62Å; T348-A357 HydrophobicContact CG2-CB 4.45Å
358I94.9Very high84.3Confident4 Ų452.6 Ų52.62%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-110.6130.3179.5-59.8173.3000109.8A222 V224 Y234 L238 L322 V323 I324 N325 R356 F360 L383A222-I358 CarbonylContact O-C 3.59Å; A222-I358 WeakPolarHBondContact O-CA 3.36Å; V224-I358 HydrophobicContact CG1-CG2 4.32Å; Y234-I358 HydrophobicContact CE1-CG2 4.5Å; L238-I358 HydrophobicContact CD1-CB 4.21Å; L238-I358 HydrophobicContact CD1-CD1 3.7Å; L238-I358 HydrophobicContact CD1-CG2 4Å; L238-I358 HydrophobicContact CD2-CD1 3.51Å; L238-I358 HydrophobicContact CG-CD1 4.24Å; L322-I358 HydrophobicContact CD1-CD1 4.39Å; V323-I358 PolarHBondContact O-N 2.92Å; I324-I358 CarbonylContact C-O 3.59Å; I324-I358 WeakPolarHBondContact CA-O 3.4Å; N325-I358 PolarHBondContact N-O 3.21Å; R356-I358 HydrophobicContact CG-CD1 4.34Å; R356-I358 HydrophobicContact CG-CG1 4.05Å; I358-F360 HydrophobicContact CG2-CD1 4.21Å; I358-F360 HydrophobicContact CG2-CE1 4.02Å; I358-L383 HydrophobicContact CD1-CD1 4.23Å; I358-L383 HydrophobicContact CG1-CD1 4.21Å
359T96.3Very high85.1Confident0 Ų052.8 Ų52.80%027%0.272CS..EExtended strand (participates in β ladder)trans-112.8126.2178.7-56.40000112.2A222 F223 V224 N325 V328 Y341 V361A222-T359 PolarHBondContact O-N 3.12Å; F223-T359 CarbonylContact C-O 3.49Å; F223-T359 VanDerWaalsContact CA-O 3.23Å; F223-T359 WeakPolarHBondContact CA-O 3.42Å; F223-T359 WeakPolarHBondContact CB-O 2.81Å; V224-T359 PolarHBondContact N-O 3.09Å; N325-T359 HydrophobicContact CB-CG2 3.79Å; N325-T359 PolarHBondContact ND2-OG1 3.36Å; V328-T359 HydrophobicContact CG2-CG2 3.98Å; Y341-T359 HydrophobicContact CE2-CG2 4.5Å; Y341-T359 WeakPolarHBondContact CE2-OG1 3.37Å; T359-V361 HydrophobicContact CG2-CG2 4.21Å; T359-V361 PolarHBondContact O-N 3.43Å
360F97.5Very high86.1Confident1 Ų158.4 Ų58.40%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-83.9117.5177.5-65-0.2000109.5V224 I226 K231 Y234 L235 L238 I324 N325 Y326 V328 I358V224-F360 HydrophobicContact CG1-CD1 3.49Å; V224-F360 VanDerWaalsContact CG1-CD1 3.49Å; V224-F360 HydrophobicContact CG1-CE1 4.04Å; V224-F360 HydrophobicContact CG1-CG 4.29Å; I226-F360 HydrophobicContact CG2-CB 4.21Å; I226-F360 HydrophobicContact CG2-CG 4.5Å; K231-F360 HydrophobicContact CB-CD2 4.02Å; K231-F360 HydrophobicContact CB-CE2 4.37Å; K231-F360 HydrophobicContact CG-CD2 4.02Å; K231-F360 WeakPolarHBondContact O-CE2 3.28Å; Y234-F360 HydrophobicContact CD1-CD1 4.17Å; Y234-F360 AromaticContact CD1-CE1 3.41Å; Y234-F360 HydrophobicContact CD1-CE1 3.41Å; Y234-F360 VanDerWaalsContact CD1-CE1 3.41Å; Y234-F360 HydrophobicContact CD1-CE2 4.45Å; Y234-F360 AromaticContact CD1-CZ 3.57Å; Y234-F360 HydrophobicContact CD1-CZ 3.57Å; Y234-F360 HydrophobicContact CE1-CD1 4.46Å; Y234-F360 AromaticContact CE1-CE1 3.76Å; Y234-F360 HydrophobicContact CE1-CE1 3.76Å; Y234-F360 HydrophobicContact CE1-CZ 4.31Å; Y234-F360 HydrophobicContact CG-CZ 4.45Å; L235-F360 HydrophobicContact CB-CE2 4.05Å; L235-F360 HydrophobicContact CB-CZ 4.27Å; L238-F360 HydrophobicContact CD1-CE1 3.6Å; L238-F360 HydrophobicContact CD1-CZ 3.83Å; I324-F360 HydrophobicContact CG2-CD1 4.47Å; I324-F360 HydrophobicContact CG2-CE1 3.89Å; I324-F360 HydrophobicContact CG2-CE2 4.28Å; I324-F360 HydrophobicContact CG2-CZ 3.79Å; N325-F360 PolarHBondContact O-N 3.05Å; Y326-F360 AromaticContact CD2-CD2 3.9Å; Y326-F360 HydrophobicContact CD2-CD2 3.9Å; Y326-F360 AromaticContact CD2-CE2 3.86Å; Y326-F360 HydrophobicContact CD2-CE2 3.86Å; Y326-F360 HydrophobicContact CE2-CD2 4.3Å; Y326-F360 HydrophobicContact CE2-CE2 4.23Å; Y326-F360 HydrophobicContact CG-CD2 4.45Å; V328-F360 WeakPolarHBondContact CG2-O 3.41Å; I358-F360 HydrophobicContact CG2-CD1 4.21Å; I358-F360 HydrophobicContact CG2-CE1 4.02Å
361V96.8Very high87Confident1 Ų157.3 Ų57.31%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-113.8121.6178.8-178.10000107.9F223 V224 F225 I226 V328 T359 S365 V366 L369F223-V361 HydrophobicContact CB-CG2 3.78Å; F223-V361 HydrophobicContact CD2-CB 3.99Å; F223-V361 HydrophobicContact CD2-CG2 3.79Å; F223-V361 HydrophobicContact CG-CG2 4.07Å; V224-V361 PolarHBondContact O-N 3.06Å; F225-V361 CarbonylContact C-O 3.54Å; F225-V361 WeakPolarHBondContact CA-O 3.49Å; F225-V361 HydrophobicContact CD2-CB 4.4Å; F225-V361 HydrophobicContact CD2-CG1 4.07Å; F225-V361 WeakPolarHBondContact CD2-O 3.41Å; I226-V361 PolarHBondContact N-O 2.83Å; V328-V361 HydrophobicContact CG2-CG2 3.98Å; T359-V361 HydrophobicContact CG2-CG2 4.21Å; T359-V361 PolarHBondContact O-N 3.43Å; V361-S365 WeakPolarHBondContact CA-OG 3.48Å; V361-V366 HydrophobicContact CG1-CG2 4.05Å; V361-L369 HydrophobicContact CG1-CB 4.31Å; V361-L369 HydrophobicContact CG1-CD2 4.3Å; V361-L369 HydrophobicContact CG2-CB 4.28Å; V361-L369 HydrophobicContact CG2-CD1 4.08Å; V361-L369 HydrophobicContact CG2-CD2 4.04Å; V361-L369 HydrophobicContact CG2-CG 4.35Å
362T95.4Very high88.4Confident8 Ų852.2 Ų52.25%0.04925%0.253CS..  trans-105.2166.4176.869.90000109I226 D228 K231 Y364 S365 V366I226-T362 WeakPolarHBondContact O-CA 3.48Å; D228-T362 HydrophobicContact CB-CG2 4.1Å; K231-T362 HydrophobicContact CD-CG2 3.76Å; K231-T362 HydrophobicContact CG-CG2 4.36Å; T362-Y364 PolarHBondContact O-N 3.24Å; T362-Y364 PolarHBondContact OG1-N 3.4Å; T362-S365 PolarHBondContact N-OG 3.14Å; T362-S365 PolarHBondContact O-N 2.8Å; T362-S365 PolarHBondContact O-OG 3.29Å; T362-V366 WeakPolarHBondContact O-CG2 3.36Å; T362-V366 PolarHBondContact O-N 3.48Å; T362-V366 VanDerWaalsContact O-N 3.17Å
363P93.6Very high89.8Confident77 Ų7751.1 Ų51.150%0.524%0.237SC..THydrogen-bonded Turntrans-49.6-32.9173-29.135.9000113.4F225F225-P363 HydrophobicContact CE2-CG 4.4Å; F225-P363 HydrophobicContact CZ-CB 4.48Å; F225-P363 HydrophobicContact CZ-CG 3.92Å
364Y92Very high90.7Very high184 Ų18449 Ų4972%0.72224%0.244SC*.THydrogen-bonded Turntrans-78.4-15179.3-50.2-65.6000114.7D228 T362D228-Y364 HydrophobicContact CB-CE2 4.48Å; T362-Y364 PolarHBondContact O-N 3.24Å; T362-Y364 PolarHBondContact OG1-N 3.4Å
365S92.4Very high91Very high8 Ų844.1 Ų44.16%0.05623%0.229CC..THydrogen-bonded Turntrans-113.9-1.8-178.267.60000114.4V328 V361 T362 T367 R368 L369V328-S365 WeakPolarHBondContact CG2-OG 3.37Å; V361-S365 WeakPolarHBondContact CA-OG 3.48Å; T362-S365 PolarHBondContact N-OG 3.14Å; T362-S365 PolarHBondContact O-N 2.8Å; T362-S365 PolarHBondContact O-OG 3.29Å; S365-T367 VanDerWaalsContact C-N 3.32Å; S365-T367 PolarHBondContact O-N 3.09Å; S365-R368 WeakPolarHBondContact O-CA 3.3Å; S365-R368 WeakPolarHBondContact O-CB 3.43Å; S365-R368 PolarHBondContact O-N 2.76Å; S365-L369 PolarHBondContact O-N 3.22Å; S365-L369 VanDerWaalsContact O-N 3.12Å
366V91.9Very high91Very high38 Ų3845.2 Ų45.223%0.2323%0.234CC..Hα-helixtrans-52.5-46.9178.1176.70000112.4F225 V361 T362 R368 L369 K370F225-V366 HydrophobicContact CD2-CG2 4.13Å; F225-V366 HydrophobicContact CE2-CG2 3.37Å; F225-V366 HydrophobicContact CZ-CG2 4.16Å; V361-V366 HydrophobicContact CG1-CG2 4.05Å; T362-V366 WeakPolarHBondContact O-CG2 3.36Å; T362-V366 PolarHBondContact O-N 3.48Å; T362-V366 VanDerWaalsContact O-N 3.17Å; V366-R368 PolarHBondContact O-N 2.99Å; V366-L369 WeakPolarHBondContact O-CB 3.38Å; V366-L369 PolarHBondContact O-N 3.32Å; V366-L369 VanDerWaalsContact O-N 3.13Å; V366-K370 HydrophobicContact CG1-CD 4.34Å; V366-K370 HydrophobicContact CG1-CG 4.48Å; V366-K370 PolarHBondContact O-N 3.01Å
367T90.6Very high90.8Very high96 Ų9646.4 Ų46.459%0.58925%0.25SS*.Hα-helixtrans-60.5-32.5179.6-48.70000111.7W334 S365 A371W334-T367 HydrophobicContact CH2-CG2 4.31Å; S365-T367 VanDerWaalsContact C-N 3.32Å; S365-T367 PolarHBondContact O-N 3.09Å; T367-A371 PolarHBondContact O-N 3.11Å; T367-A371 VanDerWaalsContact O-N 3.09Å
368R90.4Very high90.4Very high75 Ų7549.1 Ų49.128%0.28326%0.262SS..Hα-helixtrans-71.6-40.8176.7-52.6-163.4178.2100.110112.1V328 W334 S365 V366 A371 I372V328-R368 HydrophobicContact CG1-CB 3.79Å; W334-R368 HydrophobicContact CH2-CG 4.35Å; W334-R368 HydrophobicContact CZ3-CB 4.1Å; W334-R368 HydrophobicContact CZ3-CG 3.91Å; S365-R368 WeakPolarHBondContact O-CA 3.3Å; S365-R368 WeakPolarHBondContact O-CB 3.43Å; S365-R368 PolarHBondContact O-N 2.76Å; V366-R368 PolarHBondContact O-N 2.99Å; R368-A371 PolarHBondContact O-N 2.97Å; R368-I372 WeakPolarHBondContact O-CG1 3.38Å; R368-I372 PolarHBondContact O-N 3.3Å
369L92.1Very high90.1Very high7 Ų757.7 Ų57.74%0.03730%0.295CS..Hα-helixtrans-58.5-50173.2-179.276.2000110.3F223 V361 S365 V366 A371 I372 E373 I380F223-L369 HydrophobicContact CB-CD1 4.33Å; F223-L369 HydrophobicContact CD1-CD1 4.44Å; F223-L369 HydrophobicContact CD1-CD2 3.77Å; F223-L369 HydrophobicContact CD2-CD2 3.91Å; F223-L369 HydrophobicContact CE1-CD2 3.79Å; F223-L369 HydrophobicContact CE2-CD2 3.93Å; F223-L369 HydrophobicContact CG-CD1 4.39Å; F223-L369 HydrophobicContact CG-CD2 3.82Å; F223-L369 HydrophobicContact CZ-CD2 3.87Å; V361-L369 HydrophobicContact CG1-CB 4.31Å; V361-L369 HydrophobicContact CG1-CD2 4.3Å; V361-L369 HydrophobicContact CG2-CB 4.28Å; V361-L369 HydrophobicContact CG2-CD1 4.08Å; V361-L369 HydrophobicContact CG2-CD2 4.04Å; V361-L369 HydrophobicContact CG2-CG 4.35Å; S365-L369 PolarHBondContact O-N 3.22Å; S365-L369 VanDerWaalsContact O-N 3.12Å; V366-L369 WeakPolarHBondContact O-CB 3.38Å; V366-L369 PolarHBondContact O-N 3.32Å; V366-L369 VanDerWaalsContact O-N 3.13Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 2.89Å; L369-I372 WeakPolarHBondContact O-CA 3.38Å; L369-I372 WeakPolarHBondContact O-CB 3.4Å; L369-I372 PolarHBondContact O-N 2.71Å; L369-E373 HydrophobicContact CG-CG 4.41Å; L369-E373 WeakPolarHBondContact O-CG 3.26Å; L369-E373 PolarHBondContact O-N 2.73Å; L369-I380 HydrophobicContact CD1-CD1 3.75Å
370K91.1Very high89.9Confident123 Ų12358 Ų5854%0.53530%0.296SS..Hα-helixtrans-57-40179.1-71.5-177.3176.3-176.80112.6V366 E373 S374V366-K370 HydrophobicContact CG1-CD 4.34Å; V366-K370 HydrophobicContact CG1-CG 4.48Å; V366-K370 PolarHBondContact O-N 3.01Å; K370-E373 PolarHBondContact O-N 2.76Å; K370-S374 WeakPolarHBondContact O-CB 3.43Å; K370-S374 PolarHBondContact O-N 2.89Å
371A87.4Confident89.7Confident17 Ų1761.3 Ų61.314%0.1432%0.318CS..Hα-helixtrans-67.7-37.5176.400000112.6W334 T367 R368 L369 A375W334-A371 HydrophobicContact CB-CB 4.06Å; W334-A371 HydrophobicContact CD2-CB 3.41Å; W334-A371 VanDerWaalsContact CD2-CB 3.41Å; W334-A371 HydrophobicContact CE3-CB 3.13Å; W334-A371 HydrophobicContact CG-CB 3.84Å; W334-A371 HydrophobicContact CH2-CB 4.39Å; W334-A371 HydrophobicContact CZ3-CB 3.69Å; T367-A371 PolarHBondContact O-N 3.11Å; T367-A371 VanDerWaalsContact O-N 3.09Å; R368-A371 PolarHBondContact O-N 2.97Å; L369-A371 VanDerWaalsContact C-N 3.26Å; L369-A371 PolarHBondContact O-N 2.89Å; A371-A375 WeakPolarHBondContact O-CB 3.13Å; A371-A375 PolarHBondContact O-N 2.69Å
372I87.8Confident89.6Confident0 Ų067.1 Ų67.10%035%0.345CS..Hα-helixtrans-63.4-51.8172.7-68.7165000109.7V328 A338 Y341 R368 L369 S374 A375 L376 I380V328-I372 HydrophobicContact CG1-CD1 3.6Å; A338-I372 HydrophobicContact CB-CG1 4.49Å; A338-I372 HydrophobicContact CB-CG2 4.36Å; Y341-I372 HydrophobicContact CD1-CG2 4.03Å; Y341-I372 HydrophobicContact CD2-CD1 4.44Å; Y341-I372 HydrophobicContact CD2-CG2 4.4Å; Y341-I372 HydrophobicContact CG-CG2 3.88Å; R368-I372 WeakPolarHBondContact O-CG1 3.38Å; R368-I372 PolarHBondContact O-N 3.3Å; L369-I372 WeakPolarHBondContact O-CA 3.38Å; L369-I372 WeakPolarHBondContact O-CB 3.4Å; L369-I372 PolarHBondContact O-N 2.71Å; I372-S374 VanDerWaalsContact C-N 3.29Å; I372-S374 PolarHBondContact O-N 3.18Å; I372-A375 PolarHBondContact O-N 2.94Å; I372-A375 VanDerWaalsContact O-N 3.08Å; I372-L376 HydrophobicContact CG2-CD1 3.65Å; I372-L376 HydrophobicContact CG2-CG 4.12Å; I372-L376 WeakPolarHBondContact O-CB 3.44Å; I372-L376 VanDerWaalsContact O-CG 3.24Å; I372-L376 WeakPolarHBondContact O-CG 3.36Å; I372-L376 PolarHBondContact O-N 3.42Å; I372-I380 HydrophobicContact CG2-CD1 4.19Å
373E90.2Very high89.5Confident14 Ų1469.2 Ų69.27%0.06536%0.356CS..Hα-helixtrans-53.5-45.3176.3-71.5-170.8140.400112.2L369 K370 A375 L376 N377 E378 R379 I380L369-E373 HydrophobicContact CG-CG 4.41Å; L369-E373 WeakPolarHBondContact O-CG 3.26Å; L369-E373 PolarHBondContact O-N 2.73Å; K370-E373 PolarHBondContact O-N 2.76Å; E373-A375 PolarHBondContact O-N 3.15Å; E373-L376 CarbonylContact O-C 3.57Å; E373-L376 PolarHBondContact O-N 2.97Å; E373-N377 WeakPolarHBondContact O-CA 3.35Å; E373-N377 PolarHBondContact O-N 3.21Å; E373-E378 CarbonylContact C-O 3.52Å; E373-E378 WeakPolarHBondContact CA-O 3.24Å; E373-E378 WeakPolarHBondContact CB-O 3.42Å; E373-E378 WeakPolarHBondContact CG-O 3.37Å; E373-E378 PolarHBondContact O-N 3.47Å; E373-R379 WeakPolarHBondContact OE1-CA 3.22Å; E373-R379 WeakPolarHBondContact OE1-CD 3.44Å; E373-R379 WeakPolarHBondContact OE2-CD 3.45Å; E373-R379 IonicContact OE2-CZ 2.62Å; E373-R379 IonicContact OE2-NE 3.56Å; E373-R379 IonicContact OE2-NH1 3.47Å; E373-R379 PolarHBondContact OE2-NH1 3.07Å; E373-I380 HydrophobicContact CG-CD1 4.15Å; E373-I380 HydrophobicContact CG-CG1 4.16Å; E373-I380 PolarHBondContact OE1-N 3.1Å
374S86.7Confident89.4Confident94 Ų9470.6 Ų70.666%0.65737%0.365SS*.Hα-helixtrans-63.1-39.7177.6-177.10000112.7K370 I372 N377K370-S374 WeakPolarHBondContact O-CB 3.43Å; K370-S374 PolarHBondContact O-N 2.89Å; I372-S374 VanDerWaalsContact C-N 3.29Å; I372-S374 PolarHBondContact O-N 3.18Å; S374-N377 PolarHBondContact O-N 2.78Å
375A81.7Confident89.3Confident48 Ų4865.5 Ų65.540%0.39734%0.344SS..Hα-helixtrans-75-29.2178.700000112.7A338 A371 I372 E373 N377A338-A375 HydrophobicContact CB-CB 3.5Å; A338-A375 VanDerWaalsContact CB-CB 3.5Å; A371-A375 WeakPolarHBondContact O-CB 3.13Å; A371-A375 PolarHBondContact O-N 2.69Å; I372-A375 PolarHBondContact O-N 2.94Å; I372-A375 VanDerWaalsContact O-N 3.08Å; E373-A375 PolarHBondContact O-N 3.15Å; A375-N377 VanDerWaalsContact C-N 3.31Å
376L81.4Confident89.1Confident28 Ų2868.2 Ų68.215%0.14736%0.362CS..Hα-helixtrans-78.8-16.9172.3-63.8179.3000112.6A338 Y341 I342 I372 E373 E378 I380A338-L376 HydrophobicContact CB-CD2 4.49Å; Y341-L376 HydrophobicContact CD1-CD1 4.01Å; Y341-L376 HydrophobicContact CE1-CD1 4.15Å; I342-L376 HydrophobicContact CD1-CD2 3.26Å; I342-L376 HydrophobicContact CG1-CD2 3.58Å; I372-L376 HydrophobicContact CG2-CD1 3.65Å; I372-L376 HydrophobicContact CG2-CG 4.12Å; I372-L376 WeakPolarHBondContact O-CB 3.44Å; I372-L376 VanDerWaalsContact O-CG 3.24Å; I372-L376 WeakPolarHBondContact O-CG 3.36Å; I372-L376 PolarHBondContact O-N 3.42Å; E373-L376 CarbonylContact O-C 3.57Å; E373-L376 PolarHBondContact O-N 2.97Å; L376-E378 HydrophobicContact CB-CB 4.24Å; L376-E378 PolarHBondContact O-N 2.99Å; L376-I380 HydrophobicContact CD1-CD1 4.44Å
377N84.3Confident89Confident152 Ų15267.4 Ų67.481%0.81336%0.36SS*.THydrogen-bonded Turntrans54.238.7-168-162.950.5000112.3E373 S374 A375E373-N377 WeakPolarHBondContact O-CA 3.35Å; E373-N377 PolarHBondContact O-N 3.21Å; S374-N377 PolarHBondContact O-N 2.78Å; A375-N377 VanDerWaalsContact C-N 3.31Å
378E84.1Confident88.8Confident56 Ų5665.4 Ų65.426%0.26235%0.348SS..SBendtrans-147.5144.9-175.4-178.5175.2174.400111.3K215 E373 L376K215-E378 WeakPolarHBondContact CE-OE1 3.48Å; K215-E378 WeakPolarHBondContact CE-OE2 3.14Å; K215-E378 IonicContact NZ-OE1 2.97Å; K215-E378 PolarHBondContact NZ-OE1 2.72Å; K215-E378 IonicContact NZ-OE2 2.62Å; E373-E378 CarbonylContact C-O 3.52Å; E373-E378 WeakPolarHBondContact CA-O 3.24Å; E373-E378 WeakPolarHBondContact CB-O 3.42Å; E373-E378 WeakPolarHBondContact CG-O 3.37Å; E373-E378 PolarHBondContact O-N 3.47Å; L376-E378 HydrophobicContact CB-CB 4.24Å; L376-E378 PolarHBondContact O-N 2.99Å
379R89.2Confident88.5Confident185 Ų18568.5 Ų68.570%0.69837%0.37SS*.PPolyproline II helixtrans-87.4124.6168.5-68.6-63.5-172.4169.8-3.8110.9E373E373-R379 WeakPolarHBondContact OE1-CA 3.22Å; E373-R379 WeakPolarHBondContact OE1-CD 3.44Å; E373-R379 WeakPolarHBondContact OE2-CD 3.45Å; E373-R379 IonicContact OE2-CZ 2.62Å; E373-R379 IonicContact OE2-NE 3.56Å; E373-R379 IonicContact OE2-NH1 3.47Å; E373-R379 PolarHBondContact OE2-NH1 3.07Å
380I91Very high88.2Confident5 Ų569 Ų693%0.02638%0.375CS..PPolyproline II helixtrans-79.5128.1176.5-62.7164.5000107.4F223 Y341 L369 I372 E373 L376F223-I380 HydrophobicContact CB-CG2 4.42Å; F223-I380 HydrophobicContact CD1-CB 4.2Å; F223-I380 HydrophobicContact CD1-CG2 4.01Å; F223-I380 WeakPolarHBondContact CD1-O 3.3Å; F223-I380 VanDerWaalsContact CE1-O 3.22Å; F223-I380 WeakPolarHBondContact CE1-O 3.49Å; Y341-I380 HydrophobicContact CE1-CD1 3.96Å; Y341-I380 HydrophobicContact CE2-CD1 4.12Å; L369-I380 HydrophobicContact CD1-CD1 3.75Å; I372-I380 HydrophobicContact CG2-CD1 4.19Å; E373-I380 HydrophobicContact CG-CD1 4.15Å; E373-I380 HydrophobicContact CG-CG1 4.16Å; E373-I380 PolarHBondContact OE1-N 3.1Å; L376-I380 HydrophobicContact CD1-CD1 4.44Å
381P93.4Very high88.1Confident71 Ų7163.8 Ų63.846%0.46135%0.352SS..PPolyproline II helixtrans-56141.5177.8-26.534.5000112.8A222 F223A222-P381 CarbonylContact C-O 3.54Å; A222-P381 VanDerWaalsContact CA-O 3.24Å; A222-P381 WeakPolarHBondContact CA-O 3.36Å; A222-P381 HydrophobicContact CB-CB 4.36Å; A222-P381 VanDerWaalsContact CB-O 3.3Å; A222-P381 WeakPolarHBondContact CB-O 3.3Å; F223-P381 WeakPolarHBondContact CD1-O 3.46Å; F223-P381 PolarHBondContact N-O 3.29Å
382Q95.2Very high88.2Confident123 Ų12367.7 Ų67.758%0.57537%0.371SS*.EExtended strand (participates in β ladder)trans-96.4126.1174.3-174.8175-24.700110.3F223F223-Q382 HydrophobicContact CD1-CB 4.29Å; F223-Q382 HydrophobicContact CD2-CG 4.31Å; F223-Q382 HydrophobicContact CE1-CB 3.61Å; F223-Q382 HydrophobicContact CE1-CG 4.18Å; F223-Q382 HydrophobicContact CE2-CB 4.07Å; F223-Q382 HydrophobicContact CE2-CG 3.67Å; F223-Q382 HydrophobicContact CZ-CB 3.49Å; F223-Q382 VanDerWaalsContact CZ-CB 3.49Å; F223-Q382 HydrophobicContact CZ-CG 3.6Å; F223-Q382 CarbonylContact O-C 3.58Å; F223-Q382 WeakPolarHBondContact O-CA 3.47Å
383L93.4Very high88.4Confident53 Ų5372.3 Ų72.328%0.27740%0.403SS..EExtended strand (participates in β ladder)trans-85.3142.9166.2-67174.5000110.4A222 F223 I358 W385A222-L383 HydrophobicContact CB-CD1 3.84Å; A222-L383 HydrophobicContact CB-CD2 4.32Å; A222-L383 HydrophobicContact CB-CG 3.62Å; F223-L383 PolarHBondContact O-N 3.14Å; I358-L383 HydrophobicContact CD1-CD1 4.23Å; I358-L383 HydrophobicContact CG1-CD1 4.21Å; L383-W385 PolarHBondContact O-N 3.43Å
384P92Very high88.5Confident106 Ų10678.1 Ų78.169%0.68843%0.43SS*.PPolyproline II helixtrans-64.7133.1171.628.1-33.1000109.5P386P384-P386 WeakPolarHBondContact O-CD 3.26Å
385W89.5Confident88.8Confident77 Ų7774.2 Ų74.229%0.29240%0.402SS..PPolyproline II helixtrans-78.2120.1167.4174.145.9000107.9V224 I226 P227 E230 L383 G387 T388V224-W385 HydrophobicContact CG2-CB 3.74Å; V224-W385 HydrophobicContact CG2-CG 4.41Å; I226-W385 HydrophobicContact CG1-CD2 4.21Å; I226-W385 HydrophobicContact CG1-CG 4.29Å; P227-W385 HydrophobicContact CG-CE3 4.5Å; P227-W385 HydrophobicContact CG-CH2 3.73Å; P227-W385 HydrophobicContact CG-CZ2 4.46Å; P227-W385 HydrophobicContact CG-CZ3 3.74Å; E230-W385 HydrophobicContact CB-CZ2 3.89Å; E230-W385 HydrophobicContact CG-CH2 3.98Å; E230-W385 HydrophobicContact CG-CZ2 3.63Å; L383-W385 PolarHBondContact O-N 3.43Å; W385-G387 VanDerWaalsContact CZ2-C 3.5Å; W385-G387 PolarHBondContact NE1-O 3.05Å; W385-G387 PolarHBondContact O-N 2.93Å; W385-T388 HydrophobicContact CH2-CG2 4.45Å; W385-T388 HydrophobicContact CZ2-CG2 4.44Å
386P88Confident89.4Confident65 Ų6574 Ų7442%0.42239%0.391SS..  trans-65.23.2-178.725.6-37.1000114.8Y234 Y237 P384 C390Y234-P386 HydrophobicContact CD2-CG 4.27Å; Y234-P386 HydrophobicContact CE2-CG 3.82Å; Y237-P386 HydrophobicContact CE1-CG 4.36Å; P384-P386 WeakPolarHBondContact O-CD 3.26Å; P386-C390 HydrophobicContact CB-CB 4.23Å; P386-C390 HydrophobicContact CG-CB 3.68Å
387G88.9Confident90Very high20 Ų2078.8 Ų78.821%0.20641%0.412CS..  trans80.7-166.5-176.300000112.6W385 D389W385-G387 VanDerWaalsContact CZ2-C 3.5Å; W385-G387 PolarHBondContact NE1-O 3.05Å; W385-G387 PolarHBondContact O-N 2.93Å; G387-D389 VanDerWaalsContact C-N 3.25Å; G387-D389 PolarHBondContact O-N 3.33Å
388T86.8Confident90.5Very high54 Ų5475 Ų7533%0.33139%0.39SS..G310 helixtrans-66.7-30.5-177.745.70000112.2W385 C390 R396W385-T388 HydrophobicContact CH2-CG2 4.45Å; W385-T388 HydrophobicContact CZ2-CG2 4.44Å; T388-C390 PolarHBondContact O-N 3.1Å; T388-R396 VanDerWaalsContact C-NH2 3.34Å; T388-R396 PolarHBondContact O-NE 3.05Å; T388-R396 PolarHBondContact O-NH2 3.01Å
389D85.1Confident91Very high140 Ų14072.5 Ų72.575%0.74938%0.378SS*.G310 helixtrans-82.111.8-167.2-51.1-22.2000113.1G387 L391G387-D389 VanDerWaalsContact C-N 3.25Å; G387-D389 PolarHBondContact O-N 3.33Å; D389-L391 PolarHBondContact O-N 3.21Å
390C85.4Confident91.2Very high19 Ų1967.4 Ų67.413%0.12836%0.364CS..G310 helixtrans-61-21.5173.863.30000114.3Y237 P386 T388Y237-C390 HydrophobicContact CD1-CB 4.48Å; Y237-C390 HydrophobicContact CD2-CB 3.95Å; Y237-C390 WeakPolarHBondContact CD2-O 3.38Å; Y237-C390 HydrophobicContact CE2-CB 4.37Å; Y237-C390 HydrophobicContact CG-CB 4Å; P386-C390 HydrophobicContact CB-CB 4.23Å; P386-C390 HydrophobicContact CG-CB 3.68Å; T388-C390 PolarHBondContact O-N 3.1Å
391L88.4Confident91.5Very high12 Ų1271.6 Ų71.66%0.06338%0.384CS..SBendtrans-126.8143.2172.5-64.5-178.4000108.7F233 I236 L240 D389 L395 R396 V399F233-L391 HydrophobicContact CB-CD1 3.92Å; F233-L391 HydrophobicContact CD1-CD1 4.27Å; F233-L391 WeakPolarHBondContact O-CD1 3.33Å; I236-L391 HydrophobicContact CB-CD1 4.12Å; I236-L391 HydrophobicContact CG2-CD1 4.15Å; I236-L391 HydrophobicContact CG2-CD2 4.37Å; L240-L391 HydrophobicContact CD1-CD2 4.29Å; D389-L391 PolarHBondContact O-N 3.21Å; L391-L395 HydrophobicContact CD1-CD2 4.44Å; L391-L395 HydrophobicContact CD1-CG 4.3Å; L391-L395 HydrophobicContact CD2-CD2 3.76Å; L391-L395 HydrophobicContact CD2-CG 4.46Å; L391-R396 HydrophobicContact CB-CG 3.89Å; L391-V399 HydrophobicContact CD1-CG2 4.42Å
392D90.8Very high91.6Very high99 Ų9968.3 Ų68.353%0.52936%0.362SS..  trans-60.4160.5171.967.756.6000111.8Q394 L395 R396D392-Q394 VanDerWaalsContact C-N 3.28Å; D392-Q394 PolarHBondContact O-N 3.49Å; D392-Q394 WeakPolarHBondContact OD1-CB 3.25Å; D392-Q394 PolarHBondContact OD1-N 3.22Å; D392-Q394 VanDerWaalsContact OD1-N 3.12Å; D392-L395 PolarHBondContact O-N 2.95Å; D392-L395 VanDerWaalsContact OD1-CB 3.25Å; D392-L395 WeakPolarHBondContact OD1-CB 3.4Å; D392-L395 PolarHBondContact OD1-N 3.48Å; D392-R396 WeakPolarHBondContact O-CG 3.46Å; D392-R396 PolarHBondContact O-N 3.33Å
393S91.5Very high91.5Very high97 Ų9763.6 Ų63.668%0.67834%0.341SS*.Hα-helixtrans-62.9-33.9-17556.70000112.9Q397S393-Q397 WeakPolarHBondContact O-CG 3.5Å; S393-Q397 PolarHBondContact O-N 3.27Å; S393-Q397 VanDerWaalsContact O-N 3.16Å
394Q92.8Very high91.6Very high136 Ų13667.8 Ų67.864%0.63636%0.357SS*.Hα-helixtrans-68.3-48.6-179.7179.5177.5-13.100110.9D392 R396 Q397 Q398D392-Q394 VanDerWaalsContact C-N 3.28Å; D392-Q394 PolarHBondContact O-N 3.49Å; D392-Q394 WeakPolarHBondContact OD1-CB 3.25Å; D392-Q394 PolarHBondContact OD1-N 3.22Å; D392-Q394 VanDerWaalsContact OD1-N 3.12Å; Q394-R396 VanDerWaalsContact C-N 3.34Å; Q394-R396 PolarHBondContact O-N 2.97Å; Q394-Q397 PolarHBondContact O-N 3.1Å; Q394-Q398 WeakPolarHBondContact O-CG 3.28Å; Q394-Q398 PolarHBondContact O-N 3.15Å
395L91.9Very high91.7Very high12 Ų1266.7 Ų66.76%0.06334%0.343CS..Hα-helixtrans-66.4-37.8178.6-177.851.6000111I236 L240 V273 L391 D392 Q397 Q398 V399I236-L395 HydrophobicContact CG2-CD2 4.37Å; L240-L395 HydrophobicContact CD1-CD2 3.64Å; V273-L395 HydrophobicContact CG1-CD1 3.76Å; V273-L395 HydrophobicContact CG1-CD2 4.36Å; L391-L395 HydrophobicContact CD1-CD2 4.44Å; L391-L395 HydrophobicContact CD1-CG 4.3Å; L391-L395 HydrophobicContact CD2-CD2 3.76Å; L391-L395 HydrophobicContact CD2-CG 4.46Å; D392-L395 PolarHBondContact O-N 2.95Å; D392-L395 VanDerWaalsContact OD1-CB 3.25Å; D392-L395 WeakPolarHBondContact OD1-CB 3.4Å; D392-L395 PolarHBondContact OD1-N 3.48Å; L395-Q397 VanDerWaalsContact C-N 3.31Å; L395-Q397 PolarHBondContact O-N 3.45Å; L395-Q398 HydrophobicContact CD1-CB 4.42Å; L395-Q398 WeakPolarHBondContact O-CB 3.48Å; L395-Q398 PolarHBondContact O-N 2.72Å; L395-V399 HydrophobicContact CD1-CG2 4.34Å; L395-V399 VanDerWaalsContact O-CG2 3.3Å; L395-V399 WeakPolarHBondContact O-CG2 3.25Å; L395-V399 PolarHBondContact O-N 2.91Å
396R93.8Very high91.9Very high45 Ų4563.1 Ų63.117%0.1733%0.33CS..Hα-helixtrans-55.3-45.4170.6-79.5-179.5151.3-109.3-24.8112.1E230 F233 T388 L391 D392 Q394 V399 I400E230-R396 IonicContact OE2-CZ 2.69Å; E230-R396 IonicContact OE2-NH1 3.67Å; E230-R396 IonicContact OE2-NH2 3.16Å; E230-R396 PolarHBondContact OE2-NH2 3.32Å; F233-R396 HydrophobicContact CD1-CB 4.48Å; F233-R396 HydrophobicContact CD1-CG 4.07Å; F233-R396 HydrophobicContact CE1-CB 4.24Å; F233-R396 HydrophobicContact CE1-CG 4.27Å; T388-R396 VanDerWaalsContact C-NH2 3.34Å; T388-R396 PolarHBondContact O-NE 3.05Å; T388-R396 PolarHBondContact O-NH2 3.01Å; L391-R396 HydrophobicContact CB-CG 3.89Å; D392-R396 WeakPolarHBondContact O-CG 3.46Å; D392-R396 PolarHBondContact O-N 3.33Å; Q394-R396 VanDerWaalsContact C-N 3.34Å; Q394-R396 PolarHBondContact O-N 2.97Å; R396-V399 PolarHBondContact O-N 2.93Å; R396-I400 VanDerWaalsContact O-CG1 3.31Å; R396-I400 WeakPolarHBondContact O-CG1 3.4Å; R396-I400 PolarHBondContact O-N 3.3Å
397Q94.4Very high92.2Very high127 Ų12765 Ų6559%0.59333%0.328SS*.Hα-helixtrans-64.6-40.4177-68.3-58-3400112.4S393 Q394 L395 V399 I400 Q401S393-Q397 WeakPolarHBondContact O-CG 3.5Å; S393-Q397 PolarHBondContact O-N 3.27Å; S393-Q397 VanDerWaalsContact O-N 3.16Å; Q394-Q397 PolarHBondContact O-N 3.1Å; L395-Q397 VanDerWaalsContact C-N 3.31Å; L395-Q397 PolarHBondContact O-N 3.45Å; Q397-V399 VanDerWaalsContact C-N 3.34Å; Q397-V399 PolarHBondContact O-N 3.47Å; Q397-I400 PolarHBondContact O-N 3.21Å; Q397-Q401 WeakPolarHBondContact O-CB 3.4Å; Q397-Q401 PolarHBondContact O-N 3.38Å
398Q94.3Very high92.4Very high74 Ų7466.1 Ų66.135%0.34634%0.336SS..Hα-helixtrans-60.7-42.7174.9-69.4177.9-9.900111.9L270 Q394 L395 Q401 A402L270-Q398 HydrophobicContact CD2-CB 4.02Å; Q394-Q398 WeakPolarHBondContact O-CG 3.28Å; Q394-Q398 PolarHBondContact O-N 3.15Å; L395-Q398 HydrophobicContact CD1-CB 4.42Å; L395-Q398 WeakPolarHBondContact O-CB 3.48Å; L395-Q398 PolarHBondContact O-N 2.72Å; Q398-Q401 PolarHBondContact O-N 3.22Å; Q398-A402 VanDerWaalsContact O-CB 3.27Å; Q398-A402 WeakPolarHBondContact O-CB 3.33Å; Q398-A402 PolarHBondContact O-N 3.2Å
399V94.6Very high92.6Very high2 Ų267.5 Ų67.51%0.01234%0.341CS..Hα-helixtrans-62.9-44.3176.8174.40000111.2D232 F233 I236 M266 L270 L391 L395 R396 Q397 Q401 A402 D403D232-V399 HydrophobicContact CB-CG1 4.23Å; F233-V399 HydrophobicContact CD1-CB 3.93Å; F233-V399 HydrophobicContact CD1-CG1 3.7Å; F233-V399 HydrophobicContact CD1-CG2 4.44Å; F233-V399 HydrophobicContact CE1-CB 3.87Å; F233-V399 HydrophobicContact CE1-CG1 3.75Å; I236-V399 HydrophobicContact CB-CG2 4.42Å; I236-V399 HydrophobicContact CG1-CG2 3.88Å; I236-V399 HydrophobicContact CG2-CG2 4.4Å; M266-V399 HydrophobicContact SD-CG1 4.25Å; L270-V399 HydrophobicContact CD1-CG2 3.85Å; L391-V399 HydrophobicContact CD1-CG2 4.42Å; L395-V399 HydrophobicContact CD1-CG2 4.34Å; L395-V399 VanDerWaalsContact O-CG2 3.3Å; L395-V399 WeakPolarHBondContact O-CG2 3.25Å; L395-V399 PolarHBondContact O-N 2.91Å; R396-V399 PolarHBondContact O-N 2.93Å; Q397-V399 VanDerWaalsContact C-N 3.34Å; Q397-V399 PolarHBondContact O-N 3.47Å; V399-Q401 VanDerWaalsContact C-N 3.34Å; V399-Q401 PolarHBondContact O-N 2.96Å; V399-A402 PolarHBondContact O-N 3.04Å; V399-D403 PolarHBondContact O-N 3.41Å
400I94.9Very high92.8Very high79 Ų7962.3 Ų62.341%0.40531%0.313SS..Hα-helixtrans-59.6-46.3176.9-68.9164.9000110.7F233 R396 Q397 D403 K404F233-I400 HydrophobicContact CE1-CD1 4.39Å; F233-I400 HydrophobicContact CE1-CG1 3.87Å; F233-I400 HydrophobicContact CZ-CD1 4.04Å; F233-I400 HydrophobicContact CZ-CG1 3.66Å; R396-I400 VanDerWaalsContact O-CG1 3.31Å; R396-I400 WeakPolarHBondContact O-CG1 3.4Å; R396-I400 PolarHBondContact O-N 3.3Å; Q397-I400 PolarHBondContact O-N 3.21Å; I400-D403 PolarHBondContact O-N 3.06Å; I400-K404 WeakPolarHBondContact O-CB 3.38Å; I400-K404 PolarHBondContact O-N 3.42Å
401Q95.6Very high93Very high93 Ų9369.7 Ų69.744%0.43534%0.339SS..Hα-helixtrans-64.9-45.3179.6-177.858.923.400111.5Q397 Q398 V399 D403 K404 E405Q397-Q401 WeakPolarHBondContact O-CB 3.4Å; Q397-Q401 PolarHBondContact O-N 3.38Å; Q398-Q401 PolarHBondContact O-N 3.22Å; V399-Q401 VanDerWaalsContact C-N 3.34Å; V399-Q401 PolarHBondContact O-N 2.96Å; Q401-D403 PolarHBondContact O-N 3.41Å; Q401-K404 WeakPolarHBondContact O-CB 3.4Å; Q401-K404 PolarHBondContact O-N 3.26Å; Q401-E405 PolarHBondContact NE2-OE1 3.26Å; Q401-E405 WeakPolarHBondContact O-CG 3.27Å; Q401-E405 PolarHBondContact O-N 3.41Å
402A95.2Very high93.1Very high1 Ų173.4 Ų73.41%0.00836%0.357CS..Hα-helixtrans-60.4-42.1177.200000112.3M266 S269 L270 Q398 V399 E405 A406M266-A402 HydrophobicContact CG-CB 3.91Å; S269-A402 WeakPolarHBondContact OG-CB 3.34Å; L270-A402 HydrophobicContact CD1-CB 4.25Å; L270-A402 HydrophobicContact CD2-CB 4.11Å; L270-A402 HydrophobicContact CG-CB 3.92Å; Q398-A402 VanDerWaalsContact O-CB 3.27Å; Q398-A402 WeakPolarHBondContact O-CB 3.33Å; Q398-A402 PolarHBondContact O-N 3.2Å; V399-A402 PolarHBondContact O-N 3.04Å; A402-E405 PolarHBondContact O-N 3.46Å; A402-A406 VanDerWaalsContact O-CB 3.25Å; A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 3.42Å
403D95Very high92.9Very high25 Ų2575 Ų7513%0.13436%0.36CS..Hα-helixtrans-65.6-42.8175.7-178.949.1000111.7R262 M266 V399 I400 Q401 E405 A406 R407R262-D403 WeakPolarHBondContact CD-OD1 3.49Å; R262-D403 IonicContact CZ-OD1 3.39Å; R262-D403 IonicContact NE-OD1 2.9Å; R262-D403 IonicContact NH1-OD1 2.7Å; R262-D403 PolarHBondContact NH1-OD1 3.13Å; M266-D403 HydrophobicContact SD-CB 4.06Å; V399-D403 PolarHBondContact O-N 3.41Å; I400-D403 PolarHBondContact O-N 3.06Å; Q401-D403 PolarHBondContact O-N 3.41Å; D403-E405 VanDerWaalsContact C-N 3.34Å; D403-E405 PolarHBondContact O-N 3.39Å; D403-A406 PolarHBondContact O-N 3.23Å; D403-R407 VanDerWaalsContact CG-NE 3.32Å; D403-R407 WeakPolarHBondContact O-CG 3.43Å; D403-R407 PolarHBondContact O-N 3.02Å; D403-R407 IonicContact OD1-CZ 3.91Å; D403-R407 IonicContact OD1-NE 2.83Å; D403-R407 PolarHBondContact OD1-NE 3.37Å; D403-R407 VanDerWaalsContact OD1-NE 3.15Å; D403-R407 IonicContact OD1-NH2 3.05Å; D403-R407 PolarHBondContact OD1-NH2 3.16Å; D403-R407 IonicContact OD2-CZ 3.51Å; D403-R407 IonicContact OD2-NE 3.9Å; D403-R407 PolarHBondContact OD2-NE 3.18Å; D403-R407 IonicContact OD2-NH2 3.54Å; D403-R407 PolarHBondContact OD2-NH2 3.03Å; D403-R407 VanDerWaalsContact OD2-NH2 3.1Å
404K94.8Very high92.6Very high141 Ų14173.3 Ų73.361%0.61334%0.341SS*.Hα-helixtrans-58.8-45.9176.9-173.7179.8178.5-176.90111.3I400 Q401 R407 A408I400-K404 WeakPolarHBondContact O-CB 3.38Å; I400-K404 PolarHBondContact O-N 3.42Å; Q401-K404 WeakPolarHBondContact O-CB 3.4Å; Q401-K404 PolarHBondContact O-N 3.26Å; K404-R407 PolarHBondContact O-N 3.04Å; K404-A408 WeakPolarHBondContact O-CB 3.31Å; K404-A408 PolarHBondContact O-N 2.9Å
405E94.3Very high92.3Very high83 Ų8373.5 Ų73.539%0.38834%0.34SS..Hα-helixtrans-64.8-44.3175.8-72.2176.8-167.700112.2Q401 A402 D403 R407 A408 N409Q401-E405 PolarHBondContact NE2-OE1 3.26Å; Q401-E405 WeakPolarHBondContact O-CG 3.27Å; Q401-E405 PolarHBondContact O-N 3.41Å; A402-E405 PolarHBondContact O-N 3.46Å; D403-E405 VanDerWaalsContact C-N 3.34Å; D403-E405 PolarHBondContact O-N 3.39Å; E405-R407 VanDerWaalsContact C-N 3.35Å; E405-R407 PolarHBondContact O-N 3.06Å; E405-A408 PolarHBondContact O-N 3.32Å; E405-N409 WeakPolarHBondContact O-CB 3.49Å; E405-N409 VanDerWaalsContact O-CG 3.28Å; E405-N409 PolarHBondContact O-N 2.86Å; E405-N409 PolarHBondContact O-ND2 3.46Å
406A94.1Very high92Very high2 Ų277.9 Ų77.92%0.01736%0.36CS..Hα-helixtrans-56.9-47.3176.300000111.7R262 A265 M266 A402 D403 N409 L410R262-A406 HydrophobicContact CG-CB 4.34Å; A265-A406 HydrophobicContact CB-CB 3.66Å; M266-A406 HydrophobicContact CB-CB 4.28Å; A402-A406 VanDerWaalsContact O-CB 3.25Å; A402-A406 WeakPolarHBondContact O-CB 3.47Å; A402-A406 PolarHBondContact O-N 3.42Å; D403-A406 PolarHBondContact O-N 3.23Å; A406-N409 PolarHBondContact O-N 3.5Å; A406-L410 WeakPolarHBondContact O-CG 3.49Å; A406-L410 PolarHBondContact O-N 3.45Å
407R93.9Very high91.6Very high103 Ų10382 Ų8239%0.38938%0.379SS..Hα-helixtrans-65.3-42177.3-69.3179.8-166.4-90.9-2.5112.3R262 D403 K404 E405 L410 R411R262-R407 HydrophobicContact CG-CG 4.23Å; D403-R407 VanDerWaalsContact CG-NE 3.32Å; D403-R407 WeakPolarHBondContact O-CG 3.43Å; D403-R407 PolarHBondContact O-N 3.02Å; D403-R407 IonicContact OD1-CZ 3.91Å; D403-R407 IonicContact OD1-NE 2.83Å; D403-R407 PolarHBondContact OD1-NE 3.37Å; D403-R407 VanDerWaalsContact OD1-NE 3.15Å; D403-R407 IonicContact OD1-NH2 3.05Å; D403-R407 PolarHBondContact OD1-NH2 3.16Å; D403-R407 IonicContact OD2-CZ 3.51Å; D403-R407 IonicContact OD2-NE 3.9Å; D403-R407 PolarHBondContact OD2-NE 3.18Å; D403-R407 IonicContact OD2-NH2 3.54Å; D403-R407 PolarHBondContact OD2-NH2 3.03Å; D403-R407 VanDerWaalsContact OD2-NH2 3.1Å; K404-R407 PolarHBondContact O-N 3.04Å; E405-R407 VanDerWaalsContact C-N 3.35Å; E405-R407 PolarHBondContact O-N 3.06Å; R407-L410 PolarHBondContact O-N 3.39Å; R407-R411 WeakPolarHBondContact O-CG 3.46Å; R407-R411 PolarHBondContact O-N 3.31Å
408A93.1Very high90.9Very high45 Ų4581.7 Ų81.737%0.37238%0.378SS..Hα-helixtrans-61-47176.700000111.3K404 E405 L410 R411 I412K404-A408 WeakPolarHBondContact O-CB 3.31Å; K404-A408 PolarHBondContact O-N 2.9Å; E405-A408 PolarHBondContact O-N 3.32Å; A408-L410 VanDerWaalsContact C-N 3.34Å; A408-L410 PolarHBondContact O-N 3.35Å; A408-R411 PolarHBondContact O-N 2.92Å; A408-I412 WeakPolarHBondContact O-CG1 3.49Å; A408-I412 PolarHBondContact O-N 3.37Å
409N91.2Very high90.5Very high82 Ų8283.5 Ų83.544%0.43939%0.389SS..Hα-helixtrans-61.3-39.5178.4-76.5-32.7000112.7E405 A406 K413E405-N409 WeakPolarHBondContact O-CB 3.49Å; E405-N409 VanDerWaalsContact O-CG 3.28Å; E405-N409 PolarHBondContact O-N 2.86Å; E405-N409 PolarHBondContact O-ND2 3.46Å; A406-N409 PolarHBondContact O-N 3.5Å; N409-K413 WeakPolarHBondContact O-CG 3.49Å; N409-K413 PolarHBondContact O-N 2.89Å
410L89.3Confident89.9Confident31 Ų3190.3 Ų90.316%0.16242%0.419CS..Hα-helixtrans-63.5-47174.2-76.9175.4000112.2F261 R262 A406 R407 A408 I412 K413 E414F261-L410 HydrophobicContact CB-CD2 3.71Å; R262-L410 HydrophobicContact CB-CD1 3.63Å; R262-L410 HydrophobicContact CG-CD1 4.29Å; A406-L410 WeakPolarHBondContact O-CG 3.49Å; A406-L410 PolarHBondContact O-N 3.45Å; R407-L410 PolarHBondContact O-N 3.39Å; A408-L410 VanDerWaalsContact C-N 3.34Å; A408-L410 PolarHBondContact O-N 3.35Å; L410-I412 VanDerWaalsContact C-N 3.3Å; L410-I412 PolarHBondContact O-N 2.96Å; L410-K413 PolarHBondContact O-N 3.47Å; L410-E414 WeakPolarHBondContact O-CG 3.41Å; L410-E414 PolarHBondContact O-N 2.89Å
411R89.7Confident89.2Confident175 Ų17593.2 Ų93.266%0.6643%0.428SS*.Hα-helixtrans-58.7-42.3177.8-73.2173.9174.9-174.6-0.8111.7R407 A408 E414 K415R407-R411 WeakPolarHBondContact O-CG 3.46Å; R407-R411 PolarHBondContact O-N 3.31Å; A408-R411 PolarHBondContact O-N 2.92Å; R411-E414 PolarHBondContact O-N 3.44Å; R411-K415 WeakPolarHBondContact O-CG 3.4Å; R411-K415 PolarHBondContact O-N 3.46Å
412I89.8Confident88.5Confident89 Ų8995.7 Ų95.746%0.45644%0.438SS..Hα-helixtrans-63.2-48.1177.2-66.6165.9000110.5A408 L410 E414 K415 Q416A408-I412 WeakPolarHBondContact O-CG1 3.49Å; A408-I412 PolarHBondContact O-N 3.37Å; L410-I412 VanDerWaalsContact C-N 3.3Å; L410-I412 PolarHBondContact O-N 2.96Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 3.49Å; I412-K415 PolarHBondContact O-N 3.12Å; I412-Q416 HydrophobicContact CG2-CG 4.46Å; I412-Q416 WeakPolarHBondContact O-CG 3.5Å; I412-Q416 PolarHBondContact O-N 3.33Å
413K86.8Confident87.7Confident134 Ų134105.4 Ų105.458%0.58347%0.474SS*.Hα-helixtrans-62-38.9178.9-75.8176.7-179.3173.30112.5N409 L410 K417N409-K413 WeakPolarHBondContact O-CG 3.49Å; N409-K413 PolarHBondContact O-N 2.89Å; L410-K413 PolarHBondContact O-N 3.47Å; K413-K417 WeakPolarHBondContact O-CG 3.37Å; K413-K417 PolarHBondContact O-N 2.73Å
414E85.4Confident86.7Confident60 Ų60111.8 Ų111.828%0.2850%0.5SS..Hα-helixtrans-65.6-46.6175.5-74-173.4146.300111.6R258 L410 R411 I412 Q416 K417 Q418R258-E414 IonicContact CZ-OE1 3.62Å; R258-E414 IonicContact NE-OE1 3.75Å; R258-E414 PolarHBondContact NE-OE1 2.93Å; L410-E414 WeakPolarHBondContact O-CG 3.41Å; L410-E414 PolarHBondContact O-N 2.89Å; R411-E414 PolarHBondContact O-N 3.44Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 3.49Å; E414-Q416 VanDerWaalsContact C-N 3.34Å; E414-Q416 PolarHBondContact O-N 3.18Å; E414-K417 PolarHBondContact O-N 2.98Å; E414-Q418 WeakPolarHBondContact O-CG 3.36Å; E414-Q418 PolarHBondContact O-N 3.04Å
415K86.7Confident85.7Confident141 Ų141109.1 Ų109.161%0.61349%0.493SS*.Hα-helixtrans-58-44.6174.8-75.9-177.7177.2-174.30111.9R411 I412 K417 Q418 L419R411-K415 WeakPolarHBondContact O-CG 3.4Å; R411-K415 PolarHBondContact O-N 3.46Å; I412-K415 PolarHBondContact O-N 3.12Å; K415-K417 PolarHBondContact O-N 3.43Å; K415-Q418 PolarHBondContact O-N 3.5Å; K415-L419 WeakPolarHBondContact O-CG 3.36Å; K415-L419 PolarHBondContact O-N 3.44Å
416Q85.9Confident84.6Confident103 Ų103108.9 Ų108.948%0.48150%0.501SS..Hα-helixtrans-62.3-40.8176.9-73.4177.9-4.600112.5I412 E414 L419 K420I412-Q416 HydrophobicContact CG2-CG 4.46Å; I412-Q416 WeakPolarHBondContact O-CG 3.5Å; I412-Q416 PolarHBondContact O-N 3.33Å; E414-Q416 VanDerWaalsContact C-N 3.34Å; E414-Q416 PolarHBondContact O-N 3.18Å; Q416-L419 PolarHBondContact O-N 3.09Å; Q416-K420 WeakPolarHBondContact O-CG 3.47Å; Q416-K420 PolarHBondContact O-N 3.49Å
417K83.6Confident83.1Confident131 Ų131112 Ų11257%0.5752%0.522SS*.Hα-helixtrans-64-41.9175.1-77.6-179.1178.6-176.90111.8K413 E414 K415 K420 K421K413-K417 WeakPolarHBondContact O-CG 3.37Å; K413-K417 PolarHBondContact O-N 2.73Å; E414-K417 PolarHBondContact O-N 2.98Å; K415-K417 PolarHBondContact O-N 3.43Å; K417-K420 PolarHBondContact O-N 3.18Å; K417-K421 PolarHBondContact O-N 3.1Å
418Q81.5Confident81.4Confident122 Ų122112.8 Ų112.857%0.5753%0.534SS*.Hα-helixtrans-63.4-43.9176.7-70.91776.900111.9E414 K415 K420 K421 K422E414-Q418 WeakPolarHBondContact O-CG 3.36Å; E414-Q418 PolarHBondContact O-N 3.04Å; K415-Q418 PolarHBondContact O-N 3.5Å; Q418-K420 PolarHBondContact O-N 2.91Å; Q418-K421 PolarHBondContact O-N 2.93Å; Q418-K422 PolarHBondContact O-N 3.44Å
419L84.3Confident79.6Confident111 Ų111116.4 Ų116.458%0.58155%0.547SS*.Hα-helixtrans-62.3-42176.1-73163.6000112K415 Q416 K421 K422 R423K415-L419 WeakPolarHBondContact O-CG 3.36Å; K415-L419 PolarHBondContact O-N 3.44Å; Q416-L419 PolarHBondContact O-N 3.09Å; L419-K421 VanDerWaalsContact C-N 3.33Å; L419-K421 PolarHBondContact O-N 3.29Å; L419-K422 PolarHBondContact O-N 3.36Å; L419-R423 WeakPolarHBondContact O-CB 3.37Å; L419-R423 WeakPolarHBondContact O-CG 3.43Å; L419-R423 PolarHBondContact O-N 3.06Å
420K82.5Confident77.9Confident146 Ų146119.7 Ų119.764%0.63557%0.565SS**Hα-helixtrans-63.3-38.1174.5-74.8-178.2-179.1-1740112.2Q416 K417 Q418 K424Q416-K420 WeakPolarHBondContact O-CG 3.47Å; Q416-K420 PolarHBondContact O-N 3.49Å; K417-K420 PolarHBondContact O-N 3.18Å; Q418-K420 PolarHBondContact O-N 2.91Å; K420-K424 WeakPolarHBondContact O-CG 3.36Å; K420-K424 PolarHBondContact O-N 3.22Å; K420-K424 VanDerWaalsContact O-N 3.14Å
421K80.2Confident75.9Confident140 Ų140128 Ų12861%0.60959%0.594SS**Hα-helixtrans-65.2-50.6175.6-168-178.5176.5-174.60110.9K417 Q418 L419 R423 K424 D425K417-K421 PolarHBondContact O-N 3.1Å; Q418-K421 PolarHBondContact O-N 2.93Å; L419-K421 VanDerWaalsContact C-N 3.33Å; L419-K421 PolarHBondContact O-N 3.29Å; K421-R423 VanDerWaalsContact C-N 3.32Å; K421-R423 PolarHBondContact O-N 3.48Å; K421-K424 WeakPolarHBondContact O-CB 3.42Å; K421-K424 PolarHBondContact O-N 3.36Å; K421-D425 VanDerWaalsContact O-CG 3.28Å; K421-D425 PolarHBondContact O-N 3.47Å
422K80.3Confident73.7Confident145 Ų145126 Ų12663%0.6360%0.596SS**Hα-helixtrans-55.3-44.5175.8-73.6-174174.8-171.90112.5Q418 L419 K424 D425 S426Q418-K422 PolarHBondContact O-N 3.44Å; L419-K422 PolarHBondContact O-N 3.36Å; K422-K424 VanDerWaalsContact C-N 3.35Å; K422-K424 PolarHBondContact O-N 3.5Å; K422-D425 PolarHBondContact O-N 2.94Å; K422-S426 PolarHBondContact O-N 3.44Å; K422-S426 PolarHBondContact O-OG 3Å; K422-S426 VanDerWaalsContact O-OG 3.09Å
423R78.4Confident71.3Confident204 Ų204127.3 Ų127.377%0.7761%0.61SS**Hα-helixtrans-61.4-38.9176.1-79.1-179.2135.3179.6-4.3113.2L419 K421 S427L419-R423 WeakPolarHBondContact O-CB 3.37Å; L419-R423 WeakPolarHBondContact O-CG 3.43Å; L419-R423 PolarHBondContact O-N 3.06Å; K421-R423 VanDerWaalsContact C-N 3.32Å; K421-R423 PolarHBondContact O-N 3.48Å; R423-S427 WeakPolarHBondContact O-CB 3.41Å; R423-S427 PolarHBondContact O-N 2.93Å
424K74.8Confident69Low159 Ų159131 Ų13169%0.69163%0.626SS**Hα-helixtrans-67.8-42.9175.4-77.8-173.5174.8-168.20111.8K420 K421 K422 S427 N428K420-K424 WeakPolarHBondContact O-CG 3.36Å; K420-K424 PolarHBondContact O-N 3.22Å; K420-K424 VanDerWaalsContact O-N 3.14Å; K421-K424 WeakPolarHBondContact O-CB 3.42Å; K421-K424 PolarHBondContact O-N 3.36Å; K422-K424 VanDerWaalsContact C-N 3.35Å; K422-K424 PolarHBondContact O-N 3.5Å; K424-S427 PolarHBondContact O-N 2.97Å; K424-N428 PolarHBondContact O-N 3.45Å
425D74.3Confident66.7Low86 Ų86132.4 Ų132.446%0.4665%0.648SS.*Hα-helixtrans-64.4-43179.3-61.2-20.1000110.7K421 K422 S427 N428 N429K421-D425 VanDerWaalsContact O-CG 3.28Å; K421-D425 PolarHBondContact O-N 3.47Å; K422-D425 PolarHBondContact O-N 2.94Å; D425-S427 PolarHBondContact O-N 3.49Å; D425-N428 PolarHBondContact O-N 2.92Å; D425-N429 PolarHBondContact O-N 3.29Å
426S69.9Low64.4Low78 Ų78135.9 Ų135.955%0.54566%0.663SS.*Hα-helixtrans-64.2-38.1173.9-58.50000113.1K422 N428 N429 N430K422-S426 PolarHBondContact O-N 3.44Å; K422-S426 PolarHBondContact O-OG 3Å; K422-S426 VanDerWaalsContact O-OG 3.09Å; S426-N428 VanDerWaalsContact C-N 3.32Å; S426-N428 PolarHBondContact O-N 3.14Å; S426-N429 PolarHBondContact O-N 3Å; S426-N430 PolarHBondContact O-N 3.06Å; S426-N430 VanDerWaalsContact O-N 3.1Å
427S63Low62.1Low66 Ų66142.1 Ų142.146%0.46268%0.682SS.*Hα-helixtrans-69.5-28.2177-174.80000113.1R423 K424 D425R423-S427 WeakPolarHBondContact O-CB 3.41Å; R423-S427 PolarHBondContact O-N 2.93Å; K424-S427 PolarHBondContact O-N 2.97Å; D425-S427 PolarHBondContact O-N 3.49Å
428N59Low59.8Low120 Ų120140.9 Ų140.964%0.64269%0.69SS**Hα-helixtrans-75.8-36.1173-101.25.3000111.6K424 D425 S426 N430 R431K424-N428 PolarHBondContact O-N 3.45Å; D425-N428 PolarHBondContact O-N 2.92Å; S426-N428 VanDerWaalsContact C-N 3.32Å; S426-N428 PolarHBondContact O-N 3.14Å; N428-N430 PolarHBondContact O-N 3Å; N428-R431 PolarHBondContact O-N 2.89Å
429N56.1Low57.9Low121 Ų121144.6 Ų144.665%0.64771%0.707SS**Hα-helixtrans-69-29.2174.9-90.75.9000113.5D425 S426 R431 L432D425-N429 PolarHBondContact O-N 3.29Å; S426-N429 PolarHBondContact O-N 3Å; N429-R431 PolarHBondContact O-N 3Å; N429-L432 WeakPolarHBondContact O-CD1 3.42Å
430N53.9Low55.8Low152 Ų152148.4 Ų148.481%0.81372%0.722SS**THydrogen-bonded Turntrans-79.81.7173.5-88.46.6000114.4S426 N428S426-N430 PolarHBondContact O-N 3.06Å; S426-N430 VanDerWaalsContact O-N 3.1Å; N428-N430 PolarHBondContact O-N 3Å
431R47.3Very low53.7Low204 Ų204145 Ų14577%0.7773%0.728SS**THydrogen-bonded Turntrans-10522.2175.6-77.6-175.2172.8-168.8-2.2113.5N428 N429N428-R431 PolarHBondContact O-N 2.89Å; N429-R431 PolarHBondContact O-N 3Å
432L43.3Very low51.7Low134 Ų134146.9 Ų146.970%0.70274%0.736SS**SBendtrans-64.3135.7165.1-86.3147.8000109.9N429 K434N429-L432 WeakPolarHBondContact O-CD1 3.42Å; L432-K434 PolarHBondContact O-N 2.97Å
433P39.1Very low49.7Very low117 Ų117147.9 Ų147.976%0.7674%0.743SS**  trans-67134.2-173.97.31.1000110.3A435P433-A435 PolarHBondContact O-N 3.27Å
434K38.9Very low48Very low212 Ų212144.7 Ų144.792%0.92275%0.746SS**  trans-51.6105.9166.5-79.9178.6172.8178.90108.6L432 K436L432-K434 PolarHBondContact O-N 2.97Å; K434-K436 PolarHBondContact O-N 2.78Å
435A38.7Very low46.3Very low88 Ų88144.2 Ų144.273%0.72775%0.751SS**  trans-56.7132.4169.800000109.4P433 R437P433-A435 PolarHBondContact O-N 3.27Å; A435-R437 PolarHBondContact O-N 3.16Å; A435-R437 VanDerWaalsContact O-N 3.16Å
436K38.2Very low45Very low214 Ų214145.1 Ų145.193%0.9376%0.762SS**  trans-50.4115.8174.1-71.6177.5175.91800109.6K434K434-K436 PolarHBondContact O-N 2.78Å
437R36.3Very low43.7Very low234 Ų234149.6 Ų149.688%0.88377%0.774SS**  trans-110.4131.8165.2-92.5-177.5159.9-176.5-5.9108.6A435A435-R437 PolarHBondContact O-N 3.16Å; A435-R437 VanDerWaalsContact O-N 3.16Å
438S36.1Very low42.8Very low106 Ų106154.5 Ų154.574%0.74179%0.789SS**  trans64.6107154.860.60000119.9
439H42.4Very low42Very low199 Ų199153.8 Ų153.892%0.92179%0.79SS**  trans-126.7124.8132.6-122.547.4000109.4
440Q39.1Very low41.4Very low192 Ų192155.3 Ų155.390%0.89780%0.798SS**  trans-76.8149.8176.1-74.4163.1-40.800110.3
441G37.9Very low40.8Very low75 Ų75152.4 Ų152.477%0.77379%0.79SS**  trans16581.9162.800000115
442K39.1Very low40.8Very low178 Ų178151 Ų15177%0.77479%0.792SS**  trans28.5120.8141.4-72.7-177.7168.8-166.30120.3
443E38.3Very low40.9Very low167 Ų167149.9 Ų149.978%0.7880%0.795SS**  87.9130.2112.7-83.1175.5162.500111.7
444V42.9Very low41.4Very low137 Ų137157.4 Ų157.483%0.8382%0.82SS**  cis-159.3149.621161.20000108.1
445D39.4Very low41.5Very low148 Ų148154.7 Ų154.779%0.79182%0.815SS**  trans-82.5-172.6177.1-105.9-23.4000112.9
446P46.7Very low41.7Very low105 Ų105158.2 Ų158.268%0.68282%0.82SS**  -136.8175.7-57.738.9-20.2000112
447E41.8Very low41.9Very low173 Ų173155.1 Ų155.181%0.80881%0.813SS**  trans-177.6116.9150.5-107168.2-162.300110
448E43.5Very low42.2Very low168 Ų168150.5 Ų150.579%0.78581%0.809SS**  68.7138.8117-71.7-165.4164.600116
449T43.4Very low42.6Very low105 Ų105153.3 Ų153.364%0.64481%0.814SS**  cis-172.6153.13.920.60000107.3
450N43.1Very low42.6Very low154 Ų154150.2 Ų150.282%0.82481%0.806SS**  trans55150.6149.1-73.6-8.1000121
451S42.5Very low42.8Very low91 Ų91147.2 Ų147.264%0.63680%0.8SS**  cis-178.5154.11.841.40000108.2
452E45.9Very low43.2Very low175 Ų175152.8 Ų152.882%0.81880%0.802SS**  trans60.2110.2145.2-69.5177177.400120.4
453S45Very low43.6Very low109 Ų109150.7 Ų150.776%0.76280%0.804SS**  85.5122.781.170.30000116
454E50.5Low44.1Very low276 Ų276149.2 Ų149.2100%1.2981%0.806SS**  trans-127.70147.3-94.2-170.5167.800108.8

Retrieved 454 of 454 residues in 192.9 ms (Link to these results)

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