A0A077Z634_TRITR Loading...

RUN domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z634, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 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
1M34.7Very low77.6Confident228 Ų22873.3 Ų73.3100%1.12342%0.42SS*.  0124.20-68.5-160.4-84.600107.5V3M1-V3 PolarHBondContact O-N 3.49Å
2S45Very low79.1Confident112 Ų11273 Ų7378%0.78341%0.41SS*.  trans-67.3103.2172.552.10000107.5S4S2-S4 PolarHBondContact O-N 2.86Å
3V60.8Low80.4Confident69 Ų6971.2 Ų71.242%0.41841%0.41SS..  trans-71.778.3179.6-167.50000107.5M1 I139 L140M1-V3 PolarHBondContact O-N 3.49Å; V3-I139 HydrophobicContact CB-CG2 4.32Å; V3-I139 HydrophobicContact CG1-CG2 4.24Å; V3-I139 HydrophobicContact CG2-CG2 4.46Å; V3-L140 HydrophobicContact CG1-CD2 3.62Å; V3-L140 HydrophobicContact CG1-CG 4.25Å
4S68.9Low81.5Confident70 Ų7066.9 Ų66.949%0.4938%0.384SS..  trans-112.1105.4-179900000108.9S2S2-S4 PolarHBondContact O-N 2.86Å
5H84Confident82.4Confident24 Ų2462.9 Ų62.911%0.11136%0.362CS..  trans-83.9132171.3-166.7-84.8000109.4S7 L8 N9 F45 L140H5-S7 VanDerWaalsContact C-N 3.28Å; H5-S7 PolarHBondContact CE1-OG 3.36Å; H5-S7 VanDerWaalsContact CE1-OG 3.24Å; H5-S7 WeakPolarHBondContact ND1-CB 3.14Å; H5-S7 PolarHBondContact ND1-N 3.23Å; H5-S7 PolarHBondContact ND1-OG 2.85Å; H5-S7 PolarHBondContact O-N 3.01Å; H5-L8 HydrophobicContact CB-CB 4.31Å; H5-L8 HydrophobicContact CB-CD1 4.07Å; H5-L8 HydrophobicContact CB-CG 4.11Å; H5-L8 PolarHBondContact O-N 2.73Å; H5-N9 PolarHBondContact O-N 3.39Å; H5-N9 VanDerWaalsContact O-N 3.09Å; H5-F45 AromaticContact CE1-CD1 3.89Å; H5-F45 AromaticContact CE1-CE1 3.75Å; H5-F45 AromaticContact NE2-CD1 3.66Å; H5-F45 AromaticContact NE2-CE1 3.1Å; H5-F45 WeakPolarHBondContact NE2-CE1 3.5Å; H5-F45 AromaticContact NE2-CZ 3.5Å; H5-F45 WeakPolarHBondContact NE2-CZ 3.3Å; H5-L140 HydrophobicContact CB-CD1 4.31Å; H5-L140 HydrophobicContact CB-CD2 3.88Å
6P90Very high83.2Confident93 Ų9370.4 Ų70.460%0.60438%0.382SS*.Hα-helixtrans-55.8-41.3-176.120.1-32.1000112.6L8 N9 Q10P6-L8 VanDerWaalsContact C-N 3.33Å; P6-L8 PolarHBondContact O-N 3.32Å; P6-N9 PolarHBondContact O-N 2.82Å; P6-Q10 PolarHBondContact O-N 3.21Å
7S90.4Very high83.9Confident23 Ų2371.6 Ų71.616%0.16139%0.388CS..Hα-helixtrans-64-34.3177.6-42.30000113.2H5 Q10 L11H5-S7 VanDerWaalsContact C-N 3.28Å; H5-S7 PolarHBondContact CE1-OG 3.36Å; H5-S7 VanDerWaalsContact CE1-OG 3.24Å; H5-S7 WeakPolarHBondContact ND1-CB 3.14Å; H5-S7 PolarHBondContact ND1-N 3.23Å; H5-S7 PolarHBondContact ND1-OG 2.85Å; H5-S7 PolarHBondContact O-N 3.01Å; S7-Q10 PolarHBondContact O-N 3.32Å; S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 PolarHBondContact O-N 2.82Å
8L94.4Very high84.4Confident2 Ų267.6 Ų67.61%0.0137%0.366CS..Hα-helixtrans-74-33.5176.7-68.1179.9000111.8H5 P6 Q10 L11 K12 I42 V134 L140 I143 L144H5-L8 HydrophobicContact CB-CB 4.31Å; H5-L8 HydrophobicContact CB-CD1 4.07Å; H5-L8 HydrophobicContact CB-CG 4.11Å; H5-L8 PolarHBondContact O-N 2.73Å; P6-L8 VanDerWaalsContact C-N 3.33Å; P6-L8 PolarHBondContact O-N 3.32Å; L8-Q10 VanDerWaalsContact C-N 3.34Å; L8-L11 HydrophobicContact CD2-CD2 4.38Å; L8-L11 PolarHBondContact O-N 2.9Å; L8-K12 WeakPolarHBondContact O-CB 3.31Å; L8-K12 VanDerWaalsContact O-CG 3.28Å; L8-K12 WeakPolarHBondContact O-CG 3.42Å; L8-K12 PolarHBondContact O-N 2.84Å; L8-I42 HydrophobicContact CD2-CD1 4.36Å; L8-V134 HydrophobicContact CD1-CG1 4.27Å; L8-V134 HydrophobicContact CD2-CG1 3.91Å; L8-V134 HydrophobicContact CG-CG1 4.3Å; L8-V134 HydrophobicContact CG-CG2 4.38Å; L8-L140 HydrophobicContact CD1-CB 4.15Å; L8-L140 HydrophobicContact CD1-CD2 3.81Å; L8-I143 HydrophobicContact CD1-CB 4.09Å; L8-I143 HydrophobicContact CD1-CG2 3.87Å; L8-L144 HydrophobicContact CD2-CB 4.01Å; L8-L144 HydrophobicContact CD2-CD1 4.08Å
9N93.7Very high84.8Confident75 Ų7571 Ų7140%0.40137%0.374SS..Hα-helixtrans-64.9-42172.4-69.3-23.5000110.9H5 P6 K12 A13H5-N9 PolarHBondContact O-N 3.39Å; H5-N9 VanDerWaalsContact O-N 3.09Å; P6-N9 PolarHBondContact O-N 2.82Å; N9-K12 PolarHBondContact O-N 3.33Å; N9-A13 PolarHBondContact O-N 3.25Å; N9-A13 VanDerWaalsContact O-N 3.09Å
10Q95.5Very high85Confident110 Ų11071.5 Ų71.551%0.51438%0.383SS..Hα-helixtrans-61.9-47173.6-175.2179.63.400111.5P6 S7 L8 K12 A13 I14P6-Q10 PolarHBondContact O-N 3.21Å; S7-Q10 PolarHBondContact O-N 3.32Å; L8-Q10 VanDerWaalsContact C-N 3.34Å; Q10-K12 VanDerWaalsContact C-N 3.35Å; Q10-K12 PolarHBondContact O-N 3.44Å; Q10-A13 WeakPolarHBondContact O-CB 3.4Å; Q10-A13 PolarHBondContact O-N 3.47Å; Q10-I14 HydrophobicContact CG-CD1 3.99Å; Q10-I14 WeakPolarHBondContact O-CG1 3.39Å; Q10-I14 PolarHBondContact O-N 3.5Å
11L96.6Very high84.7Confident0 Ų071.5 Ų71.50%038%0.381CS..Hα-helixtrans-56.6-48.7176.2179.164.6000111.1S7 L8 A13 I14 V15 L35 L39 I42 L144S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 PolarHBondContact O-N 2.82Å; L8-L11 HydrophobicContact CD2-CD2 4.38Å; L8-L11 PolarHBondContact O-N 2.9Å; L11-A13 VanDerWaalsContact C-N 3.28Å; L11-A13 PolarHBondContact O-N 3.27Å; L11-I14 PolarHBondContact O-N 3.46Å; L11-I14 VanDerWaalsContact O-N 3.12Å; L11-V15 HydrophobicContact CD1-CG2 4.01Å; L11-V15 HydrophobicContact CG-CG2 4.09Å; L11-V15 WeakPolarHBondContact O-CB 3.42Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.38Å; L11-L35 HydrophobicContact CD1-CD1 3.51Å; L11-L39 HydrophobicContact CD1-CD2 3.86Å; L11-L39 HydrophobicContact CD1-CG 4.47Å; L11-L39 HydrophobicContact CD2-CD2 4.41Å; L11-I42 HydrophobicContact CB-CD1 4.11Å; L11-I42 HydrophobicContact CD2-CD1 3.98Å; L11-L144 HydrophobicContact CD2-CD1 3.48Å; L11-L144 VanDerWaalsContact CD2-CD1 3.48Å
12K95.2Very high86.6Confident70 Ų7069.8 Ų69.830%0.30437%0.371SS..Hα-helixtrans-58.4-38.7178.2-75.2172.9-177.3178.40112.6L8 N9 Q10 R16L8-K12 WeakPolarHBondContact O-CB 3.31Å; L8-K12 VanDerWaalsContact O-CG 3.28Å; L8-K12 WeakPolarHBondContact O-CG 3.42Å; L8-K12 PolarHBondContact O-N 2.84Å; N9-K12 PolarHBondContact O-N 3.33Å; Q10-K12 VanDerWaalsContact C-N 3.35Å; Q10-K12 PolarHBondContact O-N 3.44Å; K12-R16 VanDerWaalsContact O-CG 3.31Å; K12-R16 WeakPolarHBondContact O-CG 3.28Å; K12-R16 PolarHBondContact O-N 3.49Å; K12-R16 VanDerWaalsContact O-N 3.1Å
13A95.6Very high88.6Confident49 Ų4972.2 Ų72.241%0.40537%0.369SS..Hα-helixtrans-65-44.8175.700000111.6N9 Q10 L11 R16 L17N9-A13 PolarHBondContact O-N 3.25Å; N9-A13 VanDerWaalsContact O-N 3.09Å; Q10-A13 WeakPolarHBondContact O-CB 3.4Å; Q10-A13 PolarHBondContact O-N 3.47Å; L11-A13 VanDerWaalsContact C-N 3.28Å; L11-A13 PolarHBondContact O-N 3.27Å; A13-R16 PolarHBondContact O-N 3.35Å; A13-L17 WeakPolarHBondContact O-CG 3.43Å; A13-L17 PolarHBondContact O-N 3.01Å
14I96.5Very high90.1Very high11 Ų1172.2 Ų72.26%0.05637%0.367CS..Hα-helixtrans-64.8-45.2178.1-62.9164.6000111.1Q10 L11 R16 L17 L18 T31 K34 L35 C38Q10-I14 HydrophobicContact CG-CD1 3.99Å; Q10-I14 WeakPolarHBondContact O-CG1 3.39Å; Q10-I14 PolarHBondContact O-N 3.5Å; L11-I14 PolarHBondContact O-N 3.46Å; L11-I14 VanDerWaalsContact O-N 3.12Å; I14-R16 VanDerWaalsContact C-N 3.29Å; I14-R16 PolarHBondContact O-N 3.42Å; I14-L17 WeakPolarHBondContact O-CB 3.26Å; I14-L17 PolarHBondContact O-N 2.89Å; I14-L17 VanDerWaalsContact O-N 3.14Å; I14-L18 HydrophobicContact CG2-CD1 4.21Å; I14-L18 PolarHBondContact O-N 3.09Å; I14-T31 HydrophobicContact CG2-CG2 4.06Å; I14-K34 HydrophobicContact CD1-CB 4.16Å; I14-L35 HydrophobicContact CG2-CB 3.75Å; I14-L35 HydrophobicContact CG2-CD1 4.18Å; I14-C38 HydrophobicContact CD1-CB 3.81Å
15V95.4Very high91.4Very high7 Ų769 Ų694%0.04234%0.344CS..Hα-helixtrans-57.6-42.4177.4170.40000110.9L11 L18 Y19 V150 L151L11-V15 HydrophobicContact CD1-CG2 4.01Å; L11-V15 HydrophobicContact CG-CG2 4.09Å; L11-V15 WeakPolarHBondContact O-CB 3.42Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.38Å; V15-L18 PolarHBondContact O-N 3.25Å; V15-Y19 WeakPolarHBondContact O-CB 3.38Å; V15-Y19 PolarHBondContact O-N 2.91Å; V15-V150 HydrophobicContact CG1-CB 3.85Å; V15-V150 HydrophobicContact CG1-CG1 3.62Å; V15-L151 HydrophobicContact CB-CD2 4.23Å; V15-L151 HydrophobicContact CG1-CD2 4.04Å; V15-L151 HydrophobicContact CG1-CG 4.4Å; V15-L151 HydrophobicContact CG2-CD1 4.33Å; V15-L151 HydrophobicContact CG2-CD2 3.83Å; V15-L151 HydrophobicContact CG2-CG 4.03Å
16R94.2Very high91.8Very high183 Ų18370.6 Ų70.669%0.69136%0.356SS*.Hα-helixtrans-63.6-40.5176.7-76.4173.6-177.7152.6-0.8112.7K12 A13 I14 Y19 S20K12-R16 VanDerWaalsContact O-CG 3.31Å; K12-R16 WeakPolarHBondContact O-CG 3.28Å; K12-R16 PolarHBondContact O-N 3.49Å; K12-R16 VanDerWaalsContact O-N 3.1Å; A13-R16 PolarHBondContact O-N 3.35Å; I14-R16 VanDerWaalsContact C-N 3.29Å; I14-R16 PolarHBondContact O-N 3.42Å; R16-Y19 PolarHBondContact O-N 3.49Å; R16-S20 PolarHBondContact O-N 2.63Å; R16-S20 PolarHBondContact O-OG 3.32Å
17L94.7Very high91.9Very high91 Ų9168.3 Ų68.348%0.47634%0.339SS..Hα-helixtrans-61.7-50.5176-70.1169.8000110.5A13 I14 Y19 S20 E21 T31A13-L17 WeakPolarHBondContact O-CG 3.43Å; A13-L17 PolarHBondContact O-N 3.01Å; I14-L17 WeakPolarHBondContact O-CB 3.26Å; I14-L17 PolarHBondContact O-N 2.89Å; I14-L17 VanDerWaalsContact O-N 3.14Å; L17-Y19 VanDerWaalsContact C-N 3.31Å; L17-Y19 PolarHBondContact O-N 3.29Å; L17-S20 PolarHBondContact O-N 3.11Å; L17-S20 VanDerWaalsContact O-N 3.08Å; L17-S20 PolarHBondContact O-OG 2.93Å; L17-E21 WeakPolarHBondContact O-CG 3.47Å; L17-E21 PolarHBondContact O-N 3.08Å; L17-T31 HydrophobicContact CB-CG2 3.94Å
18L94.2Very high91.8Very high0 Ų072.3 Ų72.30%037%0.365CS..Hα-helixtrans-60.9-38.8177.6-68.1174.8000112.6I14 V15 S20 E21 I25 T31 L35 L151 F156I14-L18 HydrophobicContact CG2-CD1 4.21Å; I14-L18 PolarHBondContact O-N 3.09Å; V15-L18 PolarHBondContact O-N 3.25Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 3.11Å; L18-E21 PolarHBondContact O-N 2.81Å; L18-I25 HydrophobicContact CB-CD1 4.14Å; L18-I25 HydrophobicContact CD2-CD1 3.85Å; L18-I25 HydrophobicContact CD2-CG1 4.16Å; L18-I25 HydrophobicContact CD2-CG2 4.28Å; L18-I25 HydrophobicContact CG-CD1 4.44Å; L18-T31 HydrophobicContact CD1-CG2 4.46Å; L18-T31 HydrophobicContact CD2-CG2 3.41Å; L18-T31 VanDerWaalsContact CD2-CG2 3.41Å; L18-T31 HydrophobicContact CG-CG2 3.59Å; L18-L35 HydrophobicContact CD1-CB 4.16Å; L18-L35 HydrophobicContact CD1-CD2 3.62Å; L18-L35 HydrophobicContact CD1-CG 4.33Å; L18-L151 HydrophobicContact CD1-CD2 4.04Å; L18-F156 HydrophobicContact CD1-CE1 4.45Å; L18-F156 HydrophobicContact CD1-CZ 4.31Å
19Y90.7Very high91.6Very high132 Ų13273.2 Ų73.252%0.51837%0.372SS..Hα-helixtrans-66.7-31.2177.3-172.7-88.1000112.4V15 R16 L17 V150 H153V15-Y19 WeakPolarHBondContact O-CB 3.38Å; V15-Y19 PolarHBondContact O-N 2.91Å; R16-Y19 PolarHBondContact O-N 3.49Å; L17-Y19 VanDerWaalsContact C-N 3.31Å; L17-Y19 PolarHBondContact O-N 3.29Å; Y19-V150 HydrophobicContact CD2-CG1 4.08Å; Y19-H153 HydrophobicContact CD2-CB 3.89Å; Y19-H153 HydrophobicContact CE2-CB 3.47Å; Y19-H153 VanDerWaalsContact CE2-CB 3.47Å; Y19-H153 AromaticContact CE2-CG 3.93Å
20S89Confident91.6Very high80 Ų8076.4 Ų76.456%0.55938%0.384SS*.Hα-helixtrans-77.7-25.8176.1690000113.4R16 L17 L18 Q22R16-S20 PolarHBondContact O-N 2.63Å; R16-S20 PolarHBondContact O-OG 3.32Å; L17-S20 PolarHBondContact O-N 3.11Å; L17-S20 VanDerWaalsContact O-N 3.08Å; L17-S20 PolarHBondContact O-OG 2.93Å; L18-S20 VanDerWaalsContact C-N 3.27Å; L18-S20 PolarHBondContact O-N 3.11Å; S20-Q22 PolarHBondContact O-N 2.93Å
21E80.1Confident91.6Very high72 Ų7272 Ų7234%0.33637%0.365SS..  trans-7191.2169.9-68.7172.5-16300107.7L17 L18 E23 T31L17-E21 WeakPolarHBondContact O-CG 3.47Å; L17-E21 PolarHBondContact O-N 3.08Å; L18-E21 PolarHBondContact O-N 2.81Å; E21-E23 PolarHBondContact O-N 2.82Å; E21-T31 PolarHBondContact OE1-OG1 2.64Å
22Q74.1Confident91.5Very high193 Ų19372.2 Ų72.290%0.90237%0.366SS*.  trans-69.83.5179-67.6-167.6-2.700114S20S20-Q22 PolarHBondContact O-N 2.93Å
23E86.7Confident91.6Very high162 Ų16272.1 Ų72.176%0.75737%0.369SS*.SBendtrans-96168.5-177.7-64.4-176178.100111.6E21 I25E21-E23 PolarHBondContact O-N 2.82Å; E23-I25 PolarHBondContact O-N 3.42Å
24D92.9Very high91.6Very high70 Ų7075.1 Ų75.137%0.37437%0.372SS..  trans-66.4123.5174.6-65.2-40000110.7T26 N155 K157D24-T26 PolarHBondContact O-N 2.8Å; D24-N155 WeakPolarHBondContact CA-O 3.38Å; D24-N155 PolarHBondContact OD1-ND2 2.87Å; D24-K157 HydrophobicContact CB-CB 4.42Å; D24-K157 HydrophobicContact CB-CD 3.85Å; D24-K157 HydrophobicContact CB-CG 4.08Å; D24-K157 VanDerWaalsContact CG-CD 3.48Å; D24-K157 WeakPolarHBondContact OD1-CE 3.43Å; D24-K157 IonicContact OD1-NZ 4Å; D24-K157 VanDerWaalsContact OD2-CD 3.31Å; D24-K157 WeakPolarHBondContact OD2-CD 3.48Å; D24-K157 WeakPolarHBondContact OD2-CE 3.43Å; D24-K157 IonicContact OD2-NZ 3.08Å; D24-K157 PolarHBondContact OD2-NZ 2.97Å
25I95.2Very high91.6Very high2 Ų274.6 Ų74.61%0.0137%0.37CS..BIsolated β-bridgetrans-81.5112.8176.6-59.3154.9000108.1L18 E23 L32 C154 N155 F156 K157L18-I25 HydrophobicContact CB-CD1 4.14Å; L18-I25 HydrophobicContact CD2-CD1 3.85Å; L18-I25 HydrophobicContact CD2-CG1 4.16Å; L18-I25 HydrophobicContact CD2-CG2 4.28Å; L18-I25 HydrophobicContact CG-CD1 4.44Å; E23-I25 PolarHBondContact O-N 3.42Å; I25-L32 HydrophobicContact CG2-CB 3.91Å; I25-L32 HydrophobicContact CG2-CD1 4.37Å; I25-L32 HydrophobicContact CG2-CD2 4.41Å; I25-L32 HydrophobicContact CG2-CG 4.46Å; I25-C154 HydrophobicContact CD1-CB 3.65Å; I25-N155 PolarHBondContact N-O 3.36Å; I25-F156 HydrophobicContact CB-CD1 3.89Å; I25-F156 HydrophobicContact CB-CE1 4.22Å; I25-F156 HydrophobicContact CD1-CD1 4.1Å; I25-F156 HydrophobicContact CD1-CE1 3.77Å; I25-F156 HydrophobicContact CD1-CZ 3.99Å; I25-F156 HydrophobicContact CG2-CD1 3.75Å; I25-F156 HydrophobicContact CG2-CE1 3.87Å; I25-F156 WeakPolarHBondContact O-CA 3.15Å; I25-K157 PolarHBondContact O-N 3.41Å
26T93.6Very high91.8Very high58 Ų5874.4 Ų74.436%0.35637%0.369SS..  trans-108.1175-179.865.90000111.7D24 C28 S29 L32D24-T26 PolarHBondContact O-N 2.8Å; T26-C28 PolarHBondContact O-N 3.4Å; T26-C28 VanDerWaalsContact O-N 3.1Å; T26-S29 WeakPolarHBondContact O-CB 3.48Å; T26-S29 PolarHBondContact O-N 2.77Å; T26-L32 WeakPolarHBondContact O-CD2 3.44Å
27D91.5Very high91.9Very high45 Ų4569 Ų6924%0.24136%0.356CS..THydrogen-bonded Turntrans-59.8-18.5177.1-70.5-56.8000114.5S29 R103 T159D27-S29 VanDerWaalsContact C-N 3.31Å; D27-R103 IonicContact OD1-CZ 2.66Å; D27-R103 IonicContact OD1-NH1 3.43Å; D27-R103 PolarHBondContact OD1-NH1 2.83Å; D27-R103 IonicContact OD1-NH2 3.98Å; D27-R103 PolarHBondContact OD1-NH2 2.78Å; D27-R103 IonicContact OD2-NH2 2.63Å; D27-T159 VanDerWaalsContact OD2-CB 3.27Å; D27-T159 WeakPolarHBondContact OD2-CB 3.43Å; D27-T159 PolarHBondContact OD2-N 2.74Å; D27-T159 PolarHBondContact OD2-OG1 3.43Å
28C88Confident92Very high106 Ų10664.9 Ų64.972%0.71634%0.335SS*.THydrogen-bonded Turntrans-81.8-7.5177.3-59.90000113.2T26 E30T26-C28 PolarHBondContact O-N 3.4Å; T26-C28 VanDerWaalsContact O-N 3.1Å; C28-E30 PolarHBondContact O-N 2.9Å
29S91.4Very high92.2Very high21 Ų2164.9 Ų64.915%0.14734%0.335CS..  trans-71.7120.7-179173.20000111.5T26 D27 T31 L32 L33T26-S29 WeakPolarHBondContact O-CB 3.48Å; T26-S29 PolarHBondContact O-N 2.77Å; D27-S29 VanDerWaalsContact C-N 3.31Å; S29-T31 PolarHBondContact O-N 3.18Å; S29-T31 PolarHBondContact OG-N 3.42Å; S29-L32 WeakPolarHBondContact O-CB 3.24Å; S29-L32 PolarHBondContact O-N 2.93Å; S29-L32 PolarHBondContact OG-N 2.93Å; S29-L32 VanDerWaalsContact OG-N 3.15Å; S29-L33 PolarHBondContact O-N 3.07Å
30E92.8Very high92.5Very high143 Ų14359.5 Ų59.567%0.66831%0.314SS*.Hα-helixtrans-63.6-32.9171.3-66.6-170.9179.800112C28 L33 K34C28-E30 PolarHBondContact O-N 2.9Å; E30-L33 PolarHBondContact O-N 3.45Å; E30-K34 WeakPolarHBondContact O-CG 3.18Å; E30-K34 PolarHBondContact O-N 2.78Å; E30-K34 VanDerWaalsContact O-N 3.08Å
31T94.8Very high92.8Very high16 Ų1658.8 Ų58.810%0.09831%0.309CS..Hα-helixtrans-67.6-37.6178.5-46.80000110.7I14 L17 L18 E21 S29 K34 L35I14-T31 HydrophobicContact CG2-CG2 4.06Å; L17-T31 HydrophobicContact CB-CG2 3.94Å; L18-T31 HydrophobicContact CD1-CG2 4.46Å; L18-T31 HydrophobicContact CD2-CG2 3.41Å; L18-T31 VanDerWaalsContact CD2-CG2 3.41Å; L18-T31 HydrophobicContact CG-CG2 3.59Å; E21-T31 PolarHBondContact OE1-OG1 2.64Å; S29-T31 PolarHBondContact O-N 3.18Å; S29-T31 PolarHBondContact OG-N 3.42Å; T31-K34 PolarHBondContact O-N 2.74Å; T31-L35 PolarHBondContact O-N 3.37Å
32L95.8Very high93.6Very high5 Ų555.4 Ų55.43%0.02629%0.294CS..Hα-helixtrans-60.9-46171.6174.867.8000111.7I25 T26 S29 K34 L35 C36 L106 F156 L158I25-L32 HydrophobicContact CG2-CB 3.91Å; I25-L32 HydrophobicContact CG2-CD1 4.37Å; I25-L32 HydrophobicContact CG2-CD2 4.41Å; I25-L32 HydrophobicContact CG2-CG 4.46Å; T26-L32 WeakPolarHBondContact O-CD2 3.44Å; S29-L32 WeakPolarHBondContact O-CB 3.24Å; S29-L32 PolarHBondContact O-N 2.93Å; S29-L32 PolarHBondContact OG-N 2.93Å; S29-L32 VanDerWaalsContact OG-N 3.15Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 2.85Å; L32-L35 WeakPolarHBondContact O-CB 3.25Å; L32-L35 PolarHBondContact O-N 3.08Å; L32-L35 VanDerWaalsContact O-N 3.14Å; L32-C36 PolarHBondContact O-N 3.39Å; L32-C36 PolarHBondContact O-SG 3.01Å; L32-L106 HydrophobicContact CD1-CD1 4.34Å; L32-F156 HydrophobicContact CD1-CD1 4.02Å; L32-F156 HydrophobicContact CD1-CE1 3.83Å; L32-L158 HydrophobicContact CD1-CD2 4.44Å; L32-L158 HydrophobicContact CD2-CD2 3.42Å; L32-L158 VanDerWaalsContact CD2-CD2 3.42Å
33L95.9Very high94.7Very high69 Ų6947 Ų4736%0.36125%0.254SS..Hα-helixtrans-59-44.6178178.661.2000111.1S29 E30 L35 C36 V37 W170S29-L33 PolarHBondContact O-N 3.07Å; E30-L33 PolarHBondContact O-N 3.45Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.25Å; L33-C36 PolarHBondContact O-N 3.26Å; L33-V37 HydrophobicContact CD1-CG2 4.27Å; L33-V37 WeakPolarHBondContact O-CG2 3.23Å; L33-V37 PolarHBondContact O-N 2.92Å; L33-W170 HydrophobicContact CD1-CB 3.47Å; L33-W170 VanDerWaalsContact CD1-CB 3.47Å
34K96.4Very high95.1Very high111 Ų11140.7 Ų40.748%0.48322%0.224SC..Hα-helixtrans-60.5-41.8175.4-69.6168.3-172.3163.30111.6I14 E30 T31 L32 C38I14-K34 HydrophobicContact CD1-CB 4.16Å; E30-K34 WeakPolarHBondContact O-CG 3.18Å; E30-K34 PolarHBondContact O-N 2.78Å; E30-K34 VanDerWaalsContact O-N 3.08Å; T31-K34 PolarHBondContact O-N 2.74Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 2.85Å; K34-C38 VanDerWaalsContact O-CB 3.23Å; K34-C38 WeakPolarHBondContact O-CB 3.48Å; K34-C38 PolarHBondContact O-N 3.29Å
35L97.4Very high95.1Very high0 Ų041.6 Ų41.60%023%0.225CC..Hα-helixtrans-59.2-54.9175.5176.566.3000110.8L11 I14 L18 T31 L32 L33 V37 C38 L39 L106 L151 F156L11-L35 HydrophobicContact CD1-CD1 3.51Å; I14-L35 HydrophobicContact CG2-CB 3.75Å; I14-L35 HydrophobicContact CG2-CD1 4.18Å; L18-L35 HydrophobicContact CD1-CB 4.16Å; L18-L35 HydrophobicContact CD1-CD2 3.62Å; L18-L35 HydrophobicContact CD1-CG 4.33Å; T31-L35 PolarHBondContact O-N 3.37Å; L32-L35 WeakPolarHBondContact O-CB 3.25Å; L32-L35 PolarHBondContact O-N 3.08Å; L32-L35 VanDerWaalsContact O-N 3.14Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.25Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.37Å; L35-C38 WeakPolarHBondContact O-CB 3.44Å; L35-C38 PolarHBondContact O-N 3.41Å; L35-C38 VanDerWaalsContact O-N 3.1Å; L35-L39 HydrophobicContact CD1-CD1 3.97Å; L35-L39 HydrophobicContact CD1-CD2 4.47Å; L35-L39 HydrophobicContact CD1-CG 4.03Å; L35-L39 HydrophobicContact CD2-CD1 4.41Å; L35-L39 HydrophobicContact CG-CD1 3.85Å; L35-L39 HydrophobicContact CG-CG 4.29Å; L35-L39 WeakPolarHBondContact O-CG 3.29Å; L35-L39 PolarHBondContact O-N 3.18Å; L35-L106 HydrophobicContact CD2-CD1 4.06Å; L35-L106 HydrophobicContact CD2-CD2 4.11Å; L35-L151 HydrophobicContact CD1-CD1 4.13Å; L35-L151 HydrophobicContact CD2-CD1 3.95Å; L35-L151 HydrophobicContact CD2-CD2 4.35Å; L35-F156 HydrophobicContact CD2-CE1 4.3Å; L35-F156 HydrophobicContact CD2-CZ 4.17Å
36C97.7Very high95Very high3 Ų342.2 Ų42.22%0.0223%0.231CC..Hα-helixtrans-59.6-42.4-176.6-70.40000112.5L32 L33 L39 E40 W170L32-C36 PolarHBondContact O-N 3.39Å; L32-C36 PolarHBondContact O-SG 3.01Å; L33-C36 PolarHBondContact O-N 3.26Å; C36-L39 PolarHBondContact O-N 2.99Å; C36-E40 PolarHBondContact O-N 2.62Å; C36-W170 HydrophobicContact CB-CD2 3.51Å; C36-W170 HydrophobicContact CB-CE3 3.49Å; C36-W170 VanDerWaalsContact CB-CE3 3.49Å; C36-W170 HydrophobicContact CB-CG 4.12Å; C36-W170 HydrophobicContact CB-CH2 3.77Å; C36-W170 HydrophobicContact CB-CZ2 3.82Å; C36-W170 HydrophobicContact CB-CZ3 3.63Å; C36-W170 WeakPolarHBondContact O-CZ2 3.25Å
37V96.8Very high95.1Very high69 Ų6940.8 Ų40.842%0.41822%0.223SC..Hα-helixtrans-64.1-42.4174.7172.50000111.4L33 L35 E40 S41 W170L33-V37 HydrophobicContact CD1-CG2 4.27Å; L33-V37 WeakPolarHBondContact O-CG2 3.23Å; L33-V37 PolarHBondContact O-N 2.92Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.37Å; V37-E40 PolarHBondContact O-N 3.2Å; V37-S41 PolarHBondContact O-N 3.39Å; V37-S41 PolarHBondContact O-OG 2.98Å; V37-S41 VanDerWaalsContact O-OG 3.12Å; V37-W170 HydrophobicContact CG2-CG 4.35Å
38C97.5Very high95.2Very high5 Ų545.4 Ų45.43%0.03424%0.238CC..Hα-helixtrans-63.6-43.1178-174.10000111.8I14 K34 L35 S41 I42I14-C38 HydrophobicContact CD1-CB 3.81Å; K34-C38 VanDerWaalsContact O-CB 3.23Å; K34-C38 WeakPolarHBondContact O-CB 3.48Å; K34-C38 PolarHBondContact O-N 3.29Å; L35-C38 WeakPolarHBondContact O-CB 3.44Å; L35-C38 PolarHBondContact O-N 3.41Å; L35-C38 VanDerWaalsContact O-N 3.1Å; C38-S41 PolarHBondContact O-N 3.47Å; C38-I42 WeakPolarHBondContact O-CG1 3.4Å; C38-I42 PolarHBondContact O-N 2.86Å
39L97.8Very high95.5Very high0 Ų044.7 Ų44.70%022%0.224CC..Hα-helixtrans-63.3-45.4177.1-69.1174.1000112.2L11 L35 C36 S41 I42 F43 I102 L111 L148L11-L39 HydrophobicContact CD1-CD2 3.86Å; L11-L39 HydrophobicContact CD1-CG 4.47Å; L11-L39 HydrophobicContact CD2-CD2 4.41Å; L35-L39 HydrophobicContact CD1-CD1 3.97Å; L35-L39 HydrophobicContact CD1-CD2 4.47Å; L35-L39 HydrophobicContact CD1-CG 4.03Å; L35-L39 HydrophobicContact CD2-CD1 4.41Å; L35-L39 HydrophobicContact CG-CD1 3.85Å; L35-L39 HydrophobicContact CG-CG 4.29Å; L35-L39 WeakPolarHBondContact O-CG 3.29Å; L35-L39 PolarHBondContact O-N 3.18Å; C36-L39 PolarHBondContact O-N 2.99Å; L39-S41 VanDerWaalsContact C-N 3.33Å; L39-S41 PolarHBondContact O-N 2.96Å; L39-I42 PolarHBondContact O-N 3.01Å; L39-F43 WeakPolarHBondContact O-CD2 3.49Å; L39-F43 WeakPolarHBondContact O-CG 3.49Å; L39-F43 PolarHBondContact O-N 2.86Å; L39-I102 HydrophobicContact CD1-CG2 4Å; L39-L111 HydrophobicContact CD1-CD2 3.82Å; L39-L148 HydrophobicContact CD2-CD2 3.62Å
40E96.8Very high95.6Very high19 Ų1950.4 Ų50.49%0.08925%0.248CC..Hα-helixtrans-59.8-45.7174.9-175168.1-82.700110.7C36 V37 I42 F43 F44 R95 R99 W170C36-E40 PolarHBondContact O-N 2.62Å; V37-E40 PolarHBondContact O-N 3.2Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 3.45Å; E40-F43 PolarHBondContact O-N 3.01Å; E40-F44 HydrophobicContact CG-CD2 3.98Å; E40-F44 HydrophobicContact CG-CE2 3.83Å; E40-F44 HydrophobicContact CG-CZ 4.37Å; E40-F44 WeakPolarHBondContact O-CD2 3.37Å; E40-F44 PolarHBondContact O-N 3.4Å; E40-F44 VanDerWaalsContact O-N 3.1Å; E40-R95 IonicContact OE1-NE 2.66Å; E40-R95 IonicContact OE2-CZ 2.65Å; E40-R95 IonicContact OE2-NE 3.88Å; E40-R95 PolarHBondContact OE2-NE 2.99Å; E40-R95 IonicContact OE2-NH2 3.77Å; E40-R95 PolarHBondContact OE2-NH2 2.73Å; E40-R99 WeakPolarHBondContact OE1-CG 3.37Å; E40-R99 IonicContact OE1-CZ 3.71Å; E40-R99 IonicContact OE1-NE 3.57Å; E40-R99 PolarHBondContact OE1-NE 3.23Å; E40-R99 IonicContact OE1-NH2 3.14Å; E40-R99 PolarHBondContact OE1-NH2 3.05Å; E40-R99 IonicContact OE2-CZ 2.69Å; E40-R99 IonicContact OE2-NE 2.79Å; E40-R99 IonicContact OE2-NH2 3.3Å; E40-R99 PolarHBondContact OE2-NH2 3.5Å; E40-W170 HydrophobicContact CB-CZ2 4.19Å; E40-W170 PolarHBondContact OE1-NE1 3.22Å
41S95.9Very high95.6Very high66 Ų6645.8 Ų45.846%0.46223%0.231SC..Hα-helixtrans-59.6-37.8176-65.80000113V37 C38 L39 F44 F45V37-S41 PolarHBondContact O-N 3.39Å; V37-S41 PolarHBondContact O-OG 2.98Å; V37-S41 VanDerWaalsContact O-OG 3.12Å; C38-S41 PolarHBondContact O-N 3.47Å; L39-S41 VanDerWaalsContact C-N 3.33Å; L39-S41 PolarHBondContact O-N 2.96Å; S41-F44 PolarHBondContact O-N 3.14Å; S41-F45 VanDerWaalsContact O-CB 3.31Å; S41-F45 WeakPolarHBondContact O-CB 3.46Å; S41-F45 PolarHBondContact O-N 2.95Å; S41-F45 VanDerWaalsContact O-N 3.1Å
42I96.7Very high95.6Very high1 Ų150.2 Ų50.21%0.00525%0.25CS..Hα-helixtrans-65.5-46.4175.9-72.5165.9000110.9L8 L11 C38 L39 E40 F44 F45 V134 L144L8-I42 HydrophobicContact CD2-CD1 4.36Å; L11-I42 HydrophobicContact CB-CD1 4.11Å; L11-I42 HydrophobicContact CD2-CD1 3.98Å; C38-I42 WeakPolarHBondContact O-CG1 3.4Å; C38-I42 PolarHBondContact O-N 2.86Å; L39-I42 PolarHBondContact O-N 3.01Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 3.45Å; I42-F44 PolarHBondContact O-N 3.42Å; I42-F45 PolarHBondContact O-N 3.45Å; I42-V134 HydrophobicContact CG2-CB 3.95Å; I42-V134 HydrophobicContact CG2-CG1 3.83Å; I42-V134 HydrophobicContact CG2-CG2 4.21Å; I42-L144 HydrophobicContact CD1-CD1 4.38Å; I42-L144 HydrophobicContact CG2-CD1 4.29Å; I42-L144 HydrophobicContact CG2-CD2 3.92Å
43F96.3Very high95.6Very high15 Ų1555.4 Ų55.47%0.06627%0.27CS..Hα-helixtrans-65.8-20.9-179.8-69.7-34.5000113.5L39 E40 L58 I102 V115 Y129 L135L39-F43 WeakPolarHBondContact O-CD2 3.49Å; L39-F43 WeakPolarHBondContact O-CG 3.49Å; L39-F43 PolarHBondContact O-N 2.86Å; E40-F43 PolarHBondContact O-N 3.01Å; F43-L58 HydrophobicContact CB-CD2 4.22Å; F43-L58 HydrophobicContact CG-CD2 4.45Å; F43-I102 HydrophobicContact CD2-CD1 4Å; F43-I102 HydrophobicContact CE2-CD1 3.79Å; F43-I102 HydrophobicContact CE2-CG1 4.01Å; F43-V115 HydrophobicContact CE1-CG2 3.83Å; F43-V115 HydrophobicContact CZ-CG2 3.87Å; F43-Y129 WeakPolarHBondContact O-CE1 3.49Å; F43-Y129 VanDerWaalsContact O-CZ 3.3Å; F43-Y129 PolarHBondContact O-OH 3.12Å; F43-L135 HydrophobicContact CD1-CD1 3.74Å; F43-L135 HydrophobicContact CE1-CD1 4.33Å
44F95.5Very high95.6Very high31 Ų3152.1 Ų52.114%0.13625%0.252CS..Hα-helixtrans-103.7-11.1-176.8-74.4-122.8000112.3E40 S41 I42 T47 P51 T54 A55 R95E40-F44 HydrophobicContact CG-CD2 3.98Å; E40-F44 HydrophobicContact CG-CE2 3.83Å; E40-F44 HydrophobicContact CG-CZ 4.37Å; E40-F44 WeakPolarHBondContact O-CD2 3.37Å; E40-F44 PolarHBondContact O-N 3.4Å; E40-F44 VanDerWaalsContact O-N 3.1Å; S41-F44 PolarHBondContact O-N 3.14Å; I42-F44 PolarHBondContact O-N 3.42Å; F44-T47 WeakPolarHBondContact O-CG2 3.35Å; F44-T47 PolarHBondContact O-OG1 3.46Å; F44-P51 HydrophobicContact CD1-CB 3.64Å; F44-P51 HydrophobicContact CD1-CG 4.4Å; F44-P51 HydrophobicContact CE1-CB 3.75Å; F44-P51 WeakPolarHBondContact CE1-O 3.19Å; F44-T54 HydrophobicContact CD1-CG2 4.33Å; F44-T54 HydrophobicContact CG-CG2 4.44Å; F44-A55 HydrophobicContact CE1-CB 4.2Å; F44-A55 HydrophobicContact CZ-CB 3.87Å; F44-R95 HydrophobicContact CZ-CG 4.34Å
45F94.4Very high95.6Very high89 Ų8946.9 Ų46.939%0.3923%0.23SC..THydrogen-bonded Turntrans-72.8137-179.4-179.5-96.3000112H5 S41 I42 T47 S133H5-F45 AromaticContact CE1-CD1 3.89Å; H5-F45 AromaticContact CE1-CE1 3.75Å; H5-F45 AromaticContact NE2-CD1 3.66Å; H5-F45 AromaticContact NE2-CE1 3.1Å; H5-F45 WeakPolarHBondContact NE2-CE1 3.5Å; H5-F45 AromaticContact NE2-CZ 3.5Å; H5-F45 WeakPolarHBondContact NE2-CZ 3.3Å; S41-F45 VanDerWaalsContact O-CB 3.31Å; S41-F45 WeakPolarHBondContact O-CB 3.46Å; S41-F45 PolarHBondContact O-N 2.95Å; S41-F45 VanDerWaalsContact O-N 3.1Å; I42-F45 PolarHBondContact O-N 3.45Å; F45-T47 VanDerWaalsContact C-N 3.27Å; F45-T47 PolarHBondContact O-N 3.16Å; F45-S133 VanDerWaalsContact O-CB 3.25Å; F45-S133 WeakPolarHBondContact O-CB 3.48Å
46G92.1Very high95.6Very high14 Ų1449.2 Ų49.214%0.14424%0.242CC..THydrogen-bonded Turntrans6431.3179.300000113.3Y129 D130G46-Y129 WeakPolarHBondContact O-CA 3.32Å; G46-D130 WeakPolarHBondContact CA-OD2 3.12Å; G46-D130 VanDerWaalsContact O-CG 3.25Å; G46-D130 PolarHBondContact O-N 3.17Å
47T94.9Very high95.5Very high28 Ų2850.8 Ų50.817%0.17225%0.25CS..BIsolated β-bridgetrans-91.8146.6173.7580000110.2F44 F45 E49 T54 I128 Y129F44-T47 WeakPolarHBondContact O-CG2 3.35Å; F44-T47 PolarHBondContact O-OG1 3.46Å; F45-T47 VanDerWaalsContact C-N 3.27Å; F45-T47 PolarHBondContact O-N 3.16Å; T47-E49 PolarHBondContact O-N 3.29Å; T47-E49 PolarHBondContact OG1-O 3.06Å; T47-T54 WeakPolarHBondContact CB-OG1 3.34Å; T47-T54 HydrophobicContact CG2-CG2 3.47Å; T47-T54 VanDerWaalsContact CG2-CG2 3.47Å; T47-T54 PolarHBondContact OG1-OG1 3.16Å; T47-I128 VanDerWaalsContact CA-O 3.22Å; T47-I128 WeakPolarHBondContact CA-O 3.2Å; T47-I128 WeakPolarHBondContact CB-O 3.49Å; T47-I128 HydrophobicContact CG2-CG2 4.29Å; T47-Y129 HydrophobicContact CG2-CD1 3.54Å; T47-Y129 HydrophobicContact CG2-CE1 3.23Å; T47-Y129 HydrophobicContact CG2-CG 4.41Å
48Y93.9Very high95.4Very high143 Ų14347.6 Ų47.656%0.56123%0.231SC*.SBendtrans-72.5-21.5178.6-61.6-61.4000113I128 Y129 D130Y48-I128 PolarHBondContact N-O 2.98Å; Y48-I128 VanDerWaalsContact N-O 3.11Å; Y48-Y129 VanDerWaalsContact CE2-C 3.44Å; Y48-Y129 VanDerWaalsContact CE2-O 3.26Å; Y48-Y129 WeakPolarHBondContact CE2-O 3.47Å; Y48-Y129 PolarHBondContact OH-O 3.28Å; Y48-D130 HydrophobicContact CE1-CB 3.75Å; Y48-D130 WeakPolarHBondContact OH-CA 3.35Å
49E94.2Very high95.4Very high90 Ų9047.7 Ų47.742%0.42123%0.23SC..SBendtrans-109.2164.3-169.6-66.3-66.2172.200112.2T47 R53 T54 L57T47-E49 PolarHBondContact O-N 3.29Å; T47-E49 PolarHBondContact OG1-O 3.06Å; E49-R53 HydrophobicContact CB-CB 4.03Å; E49-R53 HydrophobicContact CB-CG 3.94Å; E49-R53 HydrophobicContact CG-CG 3.94Å; E49-T54 PolarHBondContact O-OG1 3.25Å; E49-L57 HydrophobicContact CG-CD1 4.03Å
50Q94Very high95.3Very high141 Ų14151.9 Ų51.966%0.65925%0.25SC*.  trans-67.1155.1172.3-65-60.1-40.900111.1E52 R53 T54Q50-E52 VanDerWaalsContact C-N 3.29Å; Q50-E52 PolarHBondContact O-N 3.48Å; Q50-E52 VanDerWaalsContact O-N 3.1Å; Q50-R53 PolarHBondContact O-N 3.44Å; Q50-T54 PolarHBondContact O-N 3.43Å; Q50-T54 PolarHBondContact O-OG1 3.17Å
51P92.7Very high95.2Very high46 Ų4651.8 Ų51.830%0.29925%0.252SS..Hα-helixtrans-48.3-45.3-174.9-32.237.7000114.9F44 R53 T54 A55F44-P51 HydrophobicContact CD1-CB 3.64Å; F44-P51 HydrophobicContact CD1-CG 4.4Å; F44-P51 HydrophobicContact CE1-CB 3.75Å; F44-P51 WeakPolarHBondContact CE1-O 3.19Å; P51-R53 PolarHBondContact O-N 2.86Å; P51-T54 PolarHBondContact O-N 3.07Å; P51-A55 WeakPolarHBondContact O-CB 3.46Å; P51-A55 PolarHBondContact O-N 3.14Å
52E94Very high95.3Very high110 Ų11048.9 Ų48.951%0.51423%0.231SC..Hα-helixtrans-63.5-42.3-178.8-69.463-139.700111.5Q50 A55 D56 R95Q50-E52 VanDerWaalsContact C-N 3.29Å; Q50-E52 PolarHBondContact O-N 3.48Å; Q50-E52 VanDerWaalsContact O-N 3.1Å; E52-A55 WeakPolarHBondContact O-CB 3.48Å; E52-A55 PolarHBondContact O-N 2.96Å; E52-D56 PolarHBondContact O-N 3.22Å; E52-D56 VanDerWaalsContact O-N 3.08Å; E52-R95 IonicContact OE1-NH1 2.66Å; E52-R95 PolarHBondContact OE1-NH1 3.21Å
53R96Very high95.2Very high114 Ų11450.9 Ų50.943%0.4325%0.245SC..Hα-helixtrans-73.3-38.1178.6-177.759.9176.9164.24.9112E49 Q50 P51 A55 D56 L57E49-R53 HydrophobicContact CB-CB 4.03Å; E49-R53 HydrophobicContact CB-CG 3.94Å; E49-R53 HydrophobicContact CG-CG 3.94Å; Q50-R53 PolarHBondContact O-N 3.44Å; P51-R53 PolarHBondContact O-N 2.86Å; R53-A55 VanDerWaalsContact C-N 3.27Å; R53-A55 PolarHBondContact O-N 3.41Å; R53-D56 IonicContact NH1-OD2 2.68Å; R53-D56 WeakPolarHBondContact O-CB 3.44Å; R53-D56 PolarHBondContact O-N 2.86Å; R53-L57 HydrophobicContact CG-CD1 4.33Å; R53-L57 WeakPolarHBondContact O-CG 3.25Å; R53-L57 PolarHBondContact O-N 2.82Å
54T95.9Very high95.1Very high0 Ų052.5 Ų52.50%026%0.257CS..Hα-helixtrans-58.4-42.1170.9-65.10000110.9F44 T47 E49 Q50 P51 L57 L58 I128F44-T54 HydrophobicContact CD1-CG2 4.33Å; F44-T54 HydrophobicContact CG-CG2 4.44Å; T47-T54 WeakPolarHBondContact CB-OG1 3.34Å; T47-T54 HydrophobicContact CG2-CG2 3.47Å; T47-T54 VanDerWaalsContact CG2-CG2 3.47Å; T47-T54 PolarHBondContact OG1-OG1 3.16Å; E49-T54 PolarHBondContact O-OG1 3.25Å; Q50-T54 PolarHBondContact O-N 3.43Å; Q50-T54 PolarHBondContact O-OG1 3.17Å; P51-T54 PolarHBondContact O-N 3.07Å; T54-L57 PolarHBondContact O-N 3.26Å; T54-L58 VanDerWaalsContact O-CB 3.25Å; T54-L58 WeakPolarHBondContact O-CB 3.4Å; T54-L58 PolarHBondContact O-N 2.56Å; T54-I128 HydrophobicContact CG2-CG2 4.35Å
55A96.9Very high95Very high1 Ų151 Ų511%0.00825%0.251CS..Hα-helixtrans-63.3-41176.500000112.2F44 P51 E52 R53 W59 R95 L98F44-A55 HydrophobicContact CE1-CB 4.2Å; F44-A55 HydrophobicContact CZ-CB 3.87Å; P51-A55 WeakPolarHBondContact O-CB 3.46Å; P51-A55 PolarHBondContact O-N 3.14Å; E52-A55 WeakPolarHBondContact O-CB 3.48Å; E52-A55 PolarHBondContact O-N 2.96Å; R53-A55 VanDerWaalsContact C-N 3.27Å; R53-A55 PolarHBondContact O-N 3.41Å; A55-W59 VanDerWaalsContact O-CB 3.24Å; A55-W59 WeakPolarHBondContact O-CB 3.14Å; A55-W59 PolarHBondContact O-N 3.44Å; A55-R95 HydrophobicContact CB-CB 3.79Å; A55-R95 HydrophobicContact CB-CG 4.39Å; A55-L98 HydrophobicContact CB-CD1 3.85Å; A55-L98 WeakPolarHBondContact O-CD1 3.32Å
56D96.5Very high94.9Very high49 Ų4949.4 Ų49.426%0.26225%0.249SC..Hα-helixtrans-59.7-54.6174.9-66.7-26.1000111.3E52 R53 L58 W59 E60 H94E52-D56 PolarHBondContact O-N 3.22Å; E52-D56 VanDerWaalsContact O-N 3.08Å; R53-D56 IonicContact NH1-OD2 2.68Å; R53-D56 WeakPolarHBondContact O-CB 3.44Å; R53-D56 PolarHBondContact O-N 2.86Å; D56-L58 PolarHBondContact O-N 3.22Å; D56-W59 PolarHBondContact O-N 3.44Å; D56-E60 WeakPolarHBondContact O-CB 3.43Å; D56-E60 VanDerWaalsContact O-CG 3.28Å; D56-E60 WeakPolarHBondContact O-CG 3.17Å; D56-E60 PolarHBondContact O-N 3.1Å; D56-H94 WeakPolarHBondContact CA-ND1 3.49Å; D56-H94 WeakPolarHBondContact OD1-CB 3.25Å; D56-H94 IonicContact OD1-CE1 3.75Å; D56-H94 IonicContact OD1-CG 3.43Å; D56-H94 IonicContact OD1-ND1 3.8Å; D56-H94 PolarHBondContact OD1-ND1 2.92Å
57L96.1Very high94.9Very high35 Ų3555.6 Ų55.618%0.18328%0.278CS..Hα-helixtrans-59.4-47-178.5-67.5172.2000111.3E49 R53 T54 W59 E60 S61 I128E49-L57 HydrophobicContact CG-CD1 4.03Å; R53-L57 HydrophobicContact CG-CD1 4.33Å; R53-L57 WeakPolarHBondContact O-CG 3.25Å; R53-L57 PolarHBondContact O-N 2.82Å; T54-L57 PolarHBondContact O-N 3.26Å; L57-W59 PolarHBondContact O-N 3.07Å; L57-E60 PolarHBondContact O-N 3.49Å; L57-S61 WeakPolarHBondContact O-CB 3.11Å; L57-S61 PolarHBondContact O-N 3.25Å; L57-S61 PolarHBondContact O-OG 2.91Å; L57-I128 HydrophobicContact CB-CD1 3.88Å; L57-I128 HydrophobicContact CB-CG1 4.06Å; L57-I128 HydrophobicContact CD1-CG1 4.34Å
58L96.3Very high94.7Very high3 Ų359 Ų592%0.01629%0.288CS..Hα-helixtrans-65.9-41.2-178.4-173.865.6000111.9F43 T54 D56 S61 I62 L98 L118 Y129F43-L58 HydrophobicContact CB-CD2 4.22Å; F43-L58 HydrophobicContact CG-CD2 4.45Å; T54-L58 VanDerWaalsContact O-CB 3.25Å; T54-L58 WeakPolarHBondContact O-CB 3.4Å; T54-L58 PolarHBondContact O-N 2.56Å; D56-L58 PolarHBondContact O-N 3.22Å; L58-S61 PolarHBondContact O-N 3.19Å; L58-I62 HydrophobicContact CG-CD1 4.15Å; L58-I62 WeakPolarHBondContact O-CD1 3.34Å; L58-I62 VanDerWaalsContact O-CG1 3.25Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 2.84Å; L58-L98 HydrophobicContact CB-CD1 4.25Å; L58-L98 HydrophobicContact CD2-CD1 4.08Å; L58-L98 HydrophobicContact CD2-CD2 4.04Å; L58-L98 HydrophobicContact CG-CD1 4.45Å; L58-L98 HydrophobicContact CG-CD2 4.07Å; L58-L118 HydrophobicContact CD1-CD1 4.15Å; L58-Y129 HydrophobicContact CD1-CE2 4.5Å
59W96.9Very high94.6Very high6 Ų653.1 Ų53.12%0.02327%0.265CS..Hα-helixtrans-64.4-45.5176.3178.4-107.1000111.6A55 D56 L57 S61 I62 C63 V82 V85 L86 H94 R97 L98 L101A55-W59 VanDerWaalsContact O-CB 3.24Å; A55-W59 WeakPolarHBondContact O-CB 3.14Å; A55-W59 PolarHBondContact O-N 3.44Å; D56-W59 PolarHBondContact O-N 3.44Å; L57-W59 PolarHBondContact O-N 3.07Å; W59-S61 PolarHBondContact O-N 3.37Å; W59-I62 PolarHBondContact O-N 2.97Å; W59-C63 VanDerWaalsContact CZ2-SG 3.54Å; W59-C63 PolarHBondContact O-N 2.87Å; W59-C63 PolarHBondContact O-SG 3.32Å; W59-V82 HydrophobicContact CH2-CG1 4.31Å; W59-V85 HydrophobicContact CH2-CB 3.69Å; W59-V85 HydrophobicContact CH2-CG1 3.31Å; W59-V85 HydrophobicContact CZ2-CB 4.46Å; W59-V85 HydrophobicContact CZ2-CG1 3.9Å; W59-V85 HydrophobicContact CZ3-CB 4.39Å; W59-V85 HydrophobicContact CZ3-CG1 3.85Å; W59-L86 HydrophobicContact CZ2-CD2 3.83Å; W59-L86 HydrophobicContact CZ2-CG 4.06Å; W59-H94 HydrophobicContact CB-CB 3.81Å; W59-H94 AromaticContact CD1-CD2 3.12Å; W59-H94 AromaticContact CD1-CG 3.62Å; W59-H94 AromaticContact CD1-NE2 3.51Å; W59-H94 HydrophobicContact CG-CB 4.1Å; W59-H94 AromaticContact CG-CD2 3.88Å; W59-H94 AromaticContact NE1-CD2 3.74Å; W59-R97 HydrophobicContact CD2-CB 3.81Å; W59-R97 HydrophobicContact CE3-CB 3.93Å; W59-R97 HydrophobicContact CG-CB 4.45Å; W59-R97 HydrophobicContact CH2-CB 4.22Å; W59-R97 HydrophobicContact CZ2-CB 4.06Å; W59-R97 HydrophobicContact CZ2-CG 4.4Å; W59-R97 HydrophobicContact CZ3-CB 4.14Å; W59-L98 HydrophobicContact CB-CD2 4.31Å; W59-L98 HydrophobicContact CB-CG 4.23Å; W59-L98 HydrophobicContact CE3-CD2 4.09Å; W59-L98 HydrophobicContact CE3-CG 4.41Å; W59-L101 HydrophobicContact CZ3-CB 4.18Å; W59-L101 HydrophobicContact CZ3-CD1 4.29Å; W59-L101 HydrophobicContact CZ3-CD2 4.17Å; W59-L101 HydrophobicContact CZ3-CG 4.45Å
60E95.8Very high94.4Very high88 Ų8855.1 Ų55.141%0.41128%0.275SS..Hα-helixtrans-60-44.9175.6-73.3171.8-169.700111.5D56 L57 I62 C63 C64D56-E60 WeakPolarHBondContact O-CB 3.43Å; D56-E60 VanDerWaalsContact O-CG 3.28Å; D56-E60 WeakPolarHBondContact O-CG 3.17Å; D56-E60 PolarHBondContact O-N 3.1Å; L57-E60 PolarHBondContact O-N 3.49Å; E60-I62 VanDerWaalsContact C-N 3.32Å; E60-I62 PolarHBondContact O-N 2.83Å; E60-C63 PolarHBondContact O-N 2.97Å; E60-C64 WeakPolarHBondContact O-CB 3.36Å; E60-C64 PolarHBondContact O-N 3.33Å; E60-C64 PolarHBondContact O-SG 3.44Å; E60-C64 VanDerWaalsContact O-SG 3.37Å
61S95.2Very high93.9Very high18 Ų1858 Ų5813%0.12629%0.285CS..Hα-helixtrans-55.6-45.6173.9-69.90000112.1L57 L58 W59 C64 L65 I124L57-S61 WeakPolarHBondContact O-CB 3.11Å; L57-S61 PolarHBondContact O-N 3.25Å; L57-S61 PolarHBondContact O-OG 2.91Å; L58-S61 PolarHBondContact O-N 3.19Å; W59-S61 PolarHBondContact O-N 3.37Å; S61-C64 CarbonylContact O-C 3.59Å; S61-C64 PolarHBondContact O-N 3.13Å; S61-L65 PolarHBondContact O-N 3.28Å; S61-I124 VanDerWaalsContact CB-CG2 3.44Å; S61-I124 WeakPolarHBondContact OG-CG2 3.42Å
62I96.3Very high93.6Very high5 Ų562 Ų623%0.02631%0.308CS..Hα-helixtrans-65.1-43.4178.5-70.2165.4000111.3L58 W59 E60 C64 L65 V82 L98 L101 L118L58-I62 HydrophobicContact CG-CD1 4.15Å; L58-I62 WeakPolarHBondContact O-CD1 3.34Å; L58-I62 VanDerWaalsContact O-CG1 3.25Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 2.84Å; W59-I62 PolarHBondContact O-N 2.97Å; E60-I62 VanDerWaalsContact C-N 3.32Å; E60-I62 PolarHBondContact O-N 2.83Å; I62-C64 PolarHBondContact O-N 3.39Å; I62-L65 HydrophobicContact CG2-CD1 4.43Å; I62-L65 WeakPolarHBondContact O-CB 3.45Å; I62-L65 PolarHBondContact O-N 2.94Å; I62-V82 HydrophobicContact CG2-CG2 3.75Å; I62-L98 HydrophobicContact CD1-CD2 3.67Å; I62-L101 HydrophobicContact CD1-CD2 3.66Å; I62-L101 HydrophobicContact CG2-CD2 3.96Å; I62-L118 HydrophobicContact CD1-CD1 4.27Å; I62-L118 HydrophobicContact CG1-CD1 3.98Å; I62-L118 HydrophobicContact CG1-CD2 4.04Å; I62-L118 HydrophobicContact CG1-CG 4.43Å
63C95.5Very high93.3Very high43 Ų4361.8 Ų61.829%0.29131%0.308SS..Hα-helixtrans-62.2-32.6175.6-73.70000112.6W59 E60 P66W59-C63 VanDerWaalsContact CZ2-SG 3.54Å; W59-C63 PolarHBondContact O-N 2.87Å; W59-C63 PolarHBondContact O-SG 3.32Å; E60-C63 PolarHBondContact O-N 2.97Å; C63-P66 WeakPolarHBondContact O-CD 3.48Å
64C93.5Very high93.2Very high49 Ų4957.3 Ų57.333%0.33129%0.291SS..Hα-helixtrans-87.6-6.5-179.9-70.10000114E60 S61 I62 P66 L67 Y68E60-C64 WeakPolarHBondContact O-CB 3.36Å; E60-C64 PolarHBondContact O-N 3.33Å; E60-C64 PolarHBondContact O-SG 3.44Å; E60-C64 VanDerWaalsContact O-SG 3.37Å; S61-C64 CarbonylContact O-C 3.59Å; S61-C64 PolarHBondContact O-N 3.13Å; I62-C64 PolarHBondContact O-N 3.39Å; C64-P66 VanDerWaalsContact C-N 3.3Å; C64-L67 HydrophobicContact CB-CD1 4.22Å; C64-L67 VanDerWaalsContact O-CB 3.28Å; C64-L67 WeakPolarHBondContact O-CB 3.46Å; C64-L67 PolarHBondContact O-N 3.42Å; C64-Y68 HydrophobicContact CB-CE2 4.25Å; C64-Y68 WeakPolarHBondContact O-CD2 3.33Å
65L94.2Very high93.2Very high0 Ų059 Ų590%030%0.302CS..G310 helixtrans-47.8-43.6178.7-80.2171000113.8S61 I62 L67 Y68 Y69 F74 L117 L118 I124S61-L65 PolarHBondContact O-N 3.28Å; I62-L65 HydrophobicContact CG2-CD1 4.43Å; I62-L65 WeakPolarHBondContact O-CB 3.45Å; I62-L65 PolarHBondContact O-N 2.94Å; L65-L67 PolarHBondContact O-N 3.14Å; L65-Y68 PolarHBondContact O-N 2.97Å; L65-Y69 HydrophobicContact CD2-CE2 4.15Å; L65-Y69 WeakPolarHBondContact O-CD2 3.4Å; L65-F74 HydrophobicContact CB-CE2 3.72Å; L65-F74 HydrophobicContact CB-CZ 4.15Å; L65-L117 HydrophobicContact CD1-CB 4.34Å; L65-L117 HydrophobicContact CD2-CB 4.17Å; L65-L118 HydrophobicContact CD1-CD2 4.28Å; L65-L118 HydrophobicContact CD1-CG 4.38Å; L65-L118 HydrophobicContact CD2-CD2 4.04Å; L65-L118 HydrophobicContact CD2-CG 4.48Å; L65-L118 HydrophobicContact CG-CD2 4.31Å; L65-I124 HydrophobicContact CD2-CD1 3.79Å
66P92.5Very high93.1Very high54 Ų5462.5 Ų62.535%0.35133%0.331SS..G310 helixtrans-57.7-20.5178.8-23.633.2000114.7C63 C64 Y68 F74C63-P66 WeakPolarHBondContact O-CD 3.48Å; C64-P66 VanDerWaalsContact C-N 3.3Å; P66-Y68 VanDerWaalsContact C-N 3.33Å; P66-F74 HydrophobicContact CB-CD1 4.36Å; P66-F74 HydrophobicContact CB-CE1 4.35Å; P66-F74 HydrophobicContact CG-CD1 4.19Å; P66-F74 HydrophobicContact CG-CE1 3.7Å; P66-F74 HydrophobicContact CG-CE2 4.37Å; P66-F74 HydrophobicContact CG-CZ 3.79Å
67L91.8Very high93Very high144 Ų14462.7 Ų62.775%0.75434%0.336SS*.G310 helixtrans-77.6-17.7178.3-55.5176.6000113C64 L65C64-L67 HydrophobicContact CB-CD1 4.22Å; C64-L67 VanDerWaalsContact O-CB 3.28Å; C64-L67 WeakPolarHBondContact O-CB 3.46Å; C64-L67 PolarHBondContact O-N 3.42Å; L65-L67 PolarHBondContact O-N 3.14Å
68Y91.1Very high93.1Very high100 Ų10061 Ų6139%0.39233%0.327SS..G310 helixtrans-99.5-0.2-177.1-65.9-89.4000113.9C64 L65 P66 R121 E123 I124C64-Y68 HydrophobicContact CB-CE2 4.25Å; C64-Y68 WeakPolarHBondContact O-CD2 3.33Å; L65-Y68 PolarHBondContact O-N 2.97Å; P66-Y68 VanDerWaalsContact C-N 3.33Å; Y68-R121 PolarHBondContact O-NE 3.2Å; Y68-R121 PolarHBondContact O-NH2 3.17Å; Y68-E123 HydrophobicContact CE1-CG 4.36Å; Y68-I124 HydrophobicContact CD1-CD1 4.21Å; Y68-I124 HydrophobicContact CD1-CG1 4.18Å; Y68-I124 HydrophobicContact CD2-CD1 3.69Å; Y68-I124 HydrophobicContact CD2-CG1 4.22Å; Y68-I124 HydrophobicContact CE1-CD1 4.43Å; Y68-I124 HydrophobicContact CE1-CG1 3.99Å; Y68-I124 HydrophobicContact CE2-CD1 3.94Å; Y68-I124 HydrophobicContact CE2-CG1 4.03Å; Y68-I124 HydrophobicContact CG-CD1 3.84Å; Y68-I124 HydrophobicContact CG-CG1 4.3Å
69Y91.9Very high93Very high20 Ų2066.2 Ų66.28%0.07835%0.352CS..SBendtrans-132.6148.1-176.1-69.1-81.2000110.7L65 F74 L117 R121L65-Y69 HydrophobicContact CD2-CE2 4.15Å; L65-Y69 WeakPolarHBondContact O-CD2 3.4Å; Y69-F74 HydrophobicContact CD2-CD2 4.15Å; Y69-F74 HydrophobicContact CG-CD2 4.44Å; Y69-L117 HydrophobicContact CD1-CD2 4.43Å; Y69-L117 HydrophobicContact CD2-CD2 4.4Å; Y69-L117 HydrophobicContact CE1-CD2 3.9Å; Y69-L117 HydrophobicContact CE2-CB 4.28Å; Y69-L117 HydrophobicContact CE2-CD2 3.87Å; Y69-L117 WeakPolarHBondContact OH-CA 3.29Å; Y69-L117 PolarHBondContact OH-O 2.92Å; Y69-R121 HydrophobicContact CE1-CG 4.31Å; Y69-R121 HydrophobicContact CE2-CG 3.95Å; Y69-R121 VanDerWaalsContact OH-CG 3.25Å; Y69-R121 WeakPolarHBondContact OH-CG 3.44Å
70E88.6Confident93Very high131 Ų13167.3 Ų67.361%0.61237%0.365SS*.  trans-65.7150.5169.4-64.9-169.3175.400110.2T72 E73 F74E70-T72 PolarHBondContact O-N 3.12Å; E70-T72 VanDerWaalsContact O-N 3.1Å; E70-E73 HydrophobicContact CB-CG 4.16Å; E70-E73 PolarHBondContact O-N 2.93Å; E70-F74 PolarHBondContact O-N 3.31Å
71K83.6Confident93.1Very high203 Ų20363.1 Ų63.188%0.88335%0.345SS*.THydrogen-bonded Turntrans-59.2-27.6-177.3-169.9174.5-178.6177.90113.1
72T86Confident93.2Very high128 Ų12862.9 Ų62.979%0.78534%0.343SS*.THydrogen-bonded Turntrans-77.2-23.2175.7430000113.2E70E70-T72 PolarHBondContact O-N 3.12Å; E70-T72 VanDerWaalsContact O-N 3.1Å
73E88.8Confident93.2Very high107 Ų10768.8 Ų68.850%0.537%0.368SS..THydrogen-bonded Turntrans-92.8-30.1-178.7-63.9-175.7154.600112.5E70 P75E70-E73 HydrophobicContact CB-CG 4.16Å; E70-E73 PolarHBondContact O-N 2.93Å; E73-P75 WeakPolarHBondContact O-CD 3.32Å
74F93.6Very high93.2Very high20 Ų2069.8 Ų69.89%0.08837%0.368CS..SBendtrans-74122.2-175.9-167-107.1000112L65 P66 Y69 E70 A76 V78 E79 L117L65-F74 HydrophobicContact CB-CE2 3.72Å; L65-F74 HydrophobicContact CB-CZ 4.15Å; P66-F74 HydrophobicContact CB-CD1 4.36Å; P66-F74 HydrophobicContact CB-CE1 4.35Å; P66-F74 HydrophobicContact CG-CD1 4.19Å; P66-F74 HydrophobicContact CG-CE1 3.7Å; P66-F74 HydrophobicContact CG-CE2 4.37Å; P66-F74 HydrophobicContact CG-CZ 3.79Å; Y69-F74 HydrophobicContact CD2-CD2 4.15Å; Y69-F74 HydrophobicContact CG-CD2 4.44Å; E70-F74 PolarHBondContact O-N 3.31Å; F74-A76 PolarHBondContact O-N 3.27Å; F74-V78 HydrophobicContact CE1-CB 4.39Å; F74-V78 HydrophobicContact CE1-CG1 4.36Å; F74-V78 HydrophobicContact CE2-CG1 4.3Å; F74-V78 HydrophobicContact CZ-CB 4.08Å; F74-V78 HydrophobicContact CZ-CG1 3.66Å; F74-E79 HydrophobicContact CD1-CB 4.21Å; F74-E79 HydrophobicContact CE1-CB 3.76Å; F74-E79 HydrophobicContact CE1-CG 4.38Å; F74-L117 HydrophobicContact CD2-CD1 4.38Å; F74-L117 HydrophobicContact CE2-CD1 3.95Å
75P95.2Very high93.4Very high34 Ų3467.5 Ų67.522%0.22135%0.352CS..  trans-67.7120.7-176.9-21.333.6000112.5E73 S77 V78 E79 I113 L117E73-P75 WeakPolarHBondContact O-CD 3.32Å; P75-S77 PolarHBondContact O-N 3.01Å; P75-S77 VanDerWaalsContact O-N 3.09Å; P75-V78 HydrophobicContact CB-CB 4.42Å; P75-V78 HydrophobicContact CB-CG2 4.03Å; P75-V78 HydrophobicContact CG-CG2 4.36Å; P75-V78 WeakPolarHBondContact O-CB 3.49Å; P75-V78 PolarHBondContact O-N 2.97Å; P75-E79 PolarHBondContact O-N 3.4Å; P75-E79 VanDerWaalsContact O-N 3.16Å; P75-I113 HydrophobicContact CG-CG2 3.97Å; P75-L117 HydrophobicContact CG-CD1 4.25Å
76A94.7Very high93.5Very high75 Ų7571.8 Ų71.862%0.6238%0.375SS*.Hα-helixtrans-57.3-27.117600000113.2F74 V78 E79 G80F74-A76 PolarHBondContact O-N 3.27Å; A76-V78 VanDerWaalsContact C-N 3.34Å; A76-E79 PolarHBondContact O-N 3.11Å; A76-G80 PolarHBondContact O-N 3.26Å
77S95.7Very high93.5Very high53 Ų5374.1 Ų74.137%0.37138%0.384SS..Hα-helixtrans-64.9-36.9174.656.90000112.6P75 C81 I110P75-S77 PolarHBondContact O-N 3.01Å; P75-S77 VanDerWaalsContact O-N 3.09Å; S77-C81 WeakPolarHBondContact O-CB 3.33Å; S77-C81 PolarHBondContact O-N 3.34Å; S77-C81 VanDerWaalsContact O-N 3.14Å; S77-I110 WeakPolarHBondContact O-CD1 3.34Å
78V97Very high93.7Very high0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-72-46174.8177.20000109.7F74 P75 A76 G80 C81 V82 I110 I113 I114 L117F74-V78 HydrophobicContact CE1-CB 4.39Å; F74-V78 HydrophobicContact CE1-CG1 4.36Å; F74-V78 HydrophobicContact CE2-CG1 4.3Å; F74-V78 HydrophobicContact CZ-CB 4.08Å; F74-V78 HydrophobicContact CZ-CG1 3.66Å; P75-V78 HydrophobicContact CB-CB 4.42Å; P75-V78 HydrophobicContact CB-CG2 4.03Å; P75-V78 HydrophobicContact CG-CG2 4.36Å; P75-V78 WeakPolarHBondContact O-CB 3.49Å; P75-V78 PolarHBondContact O-N 2.97Å; A76-V78 VanDerWaalsContact C-N 3.34Å; V78-G80 PolarHBondContact O-N 3Å; V78-C81 WeakPolarHBondContact O-CA 3.49Å; V78-C81 VanDerWaalsContact O-CB 3.32Å; V78-C81 WeakPolarHBondContact O-CB 3.31Å; V78-C81 PolarHBondContact O-N 3.05Å; V78-V82 HydrophobicContact CG1-CG2 4.44Å; V78-V82 WeakPolarHBondContact O-CG2 3.39Å; V78-V82 PolarHBondContact O-N 3.03Å; V78-I110 HydrophobicContact CG2-CD1 4.38Å; V78-I113 HydrophobicContact CG2-CG2 4.08Å; V78-I114 HydrophobicContact CG1-CG1 4.01Å; V78-I114 HydrophobicContact CG2-CG1 3.97Å; V78-L117 HydrophobicContact CG1-CD1 4.45Å; V78-L117 HydrophobicContact CG2-CD1 4.19Å
79E95.8Very high93.6Very high113 Ų11370.9 Ų70.953%0.52837%0.368SS..Hα-helixtrans-55.1-50.3175.9-165.1-180-178.300111.8F74 P75 A76 C81 V82 K83F74-E79 HydrophobicContact CD1-CB 4.21Å; F74-E79 HydrophobicContact CE1-CB 3.76Å; F74-E79 HydrophobicContact CE1-CG 4.38Å; P75-E79 PolarHBondContact O-N 3.4Å; P75-E79 VanDerWaalsContact O-N 3.16Å; A76-E79 PolarHBondContact O-N 3.11Å; E79-C81 PolarHBondContact O-N 2.99Å; E79-V82 PolarHBondContact O-N 3.28Å; E79-K83 WeakPolarHBondContact O-CB 3.33Å; E79-K83 PolarHBondContact O-N 2.85Å
80G96.5Very high93.5Very high29 Ų2970 Ų7030%0.29937%0.365SS..Hα-helixtrans-67.1-21.2177.900000113.9A76 V78 F84 R108A76-G80 PolarHBondContact O-N 3.26Å; V78-G80 PolarHBondContact O-N 3Å; G80-F84 WeakPolarHBondContact O-CB 3.45Å; G80-F84 PolarHBondContact O-N 2.83Å; G80-R108 VanDerWaalsContact C-NH1 3.32Å; G80-R108 PolarHBondContact O-NH1 3.15Å
81C97.2Very high93.8Very high0 Ų063.8 Ų63.80%034%0.336CS..Hα-helixtrans-76.9-48.1173.6-170.30000110.8S77 V78 E79 K83 F84 V85 C104 I110S77-C81 WeakPolarHBondContact O-CB 3.33Å; S77-C81 PolarHBondContact O-N 3.34Å; S77-C81 VanDerWaalsContact O-N 3.14Å; V78-C81 WeakPolarHBondContact O-CA 3.49Å; V78-C81 VanDerWaalsContact O-CB 3.32Å; V78-C81 WeakPolarHBondContact O-CB 3.31Å; V78-C81 PolarHBondContact O-N 3.05Å; E79-C81 PolarHBondContact O-N 2.99Å; C81-K83 PolarHBondContact O-N 2.92Å; C81-F84 WeakPolarHBondContact O-CB 3.41Å; C81-F84 PolarHBondContact O-N 2.9Å; C81-V85 WeakPolarHBondContact O-CG2 3.42Å; C81-V85 PolarHBondContact O-N 2.84Å; C81-C104 PolarHBondContact SG-SG 3.38Å; C81-I110 HydrophobicContact CB-CD1 3.73Å
82V97.2Very high94.3Very high13 Ų1358.4 Ų58.48%0.07931%0.314CS..Hα-helixtrans-62-44.6177.11750000110.7W59 I62 V78 E79 F84 V85 L86 L101W59-V82 HydrophobicContact CH2-CG1 4.31Å; I62-V82 HydrophobicContact CG2-CG2 3.75Å; V78-V82 HydrophobicContact CG1-CG2 4.44Å; V78-V82 WeakPolarHBondContact O-CG2 3.39Å; V78-V82 PolarHBondContact O-N 3.03Å; E79-V82 PolarHBondContact O-N 3.28Å; V82-F84 VanDerWaalsContact C-N 3.35Å; V82-F84 PolarHBondContact O-N 2.9Å; V82-V85 PolarHBondContact O-N 3.1Å; V82-V85 VanDerWaalsContact O-N 3.15Å; V82-L86 HydrophobicContact CG1-CD1 4.02Å; V82-L86 HydrophobicContact CG1-CG 4.45Å; V82-L86 WeakPolarHBondContact O-CG 3.29Å; V82-L86 PolarHBondContact O-N 2.68Å; V82-L101 HydrophobicContact CG2-CD1 4.21Å
83K96.4Very high94.8Very high128 Ų12855.1 Ų55.156%0.55729%0.293SS*.Hα-helixtrans-58.6-44.7176.3-177.2170.2-178.8167.60112.4E79 C81 V85 L86 D87E79-K83 WeakPolarHBondContact O-CB 3.33Å; E79-K83 PolarHBondContact O-N 2.85Å; C81-K83 PolarHBondContact O-N 2.92Å; K83-V85 VanDerWaalsContact C-N 3.28Å; K83-V85 PolarHBondContact O-N 3.28Å; K83-L86 PolarHBondContact O-N 2.9Å; K83-D87 WeakPolarHBondContact O-CB 3.5Å; K83-D87 VanDerWaalsContact O-CG 3.29Å; K83-D87 PolarHBondContact O-N 2.83Å
84F96.6Very high95.2Very high65 Ų6551.9 Ų51.929%0.28528%0.278SS..Hα-helixtrans-56.7-42.2175.8166.7-95.1000112.4G80 C81 V82 C88 L100 C104 L160G80-F84 WeakPolarHBondContact O-CB 3.45Å; G80-F84 PolarHBondContact O-N 2.83Å; C81-F84 WeakPolarHBondContact O-CB 3.41Å; C81-F84 PolarHBondContact O-N 2.9Å; V82-F84 VanDerWaalsContact C-N 3.35Å; V82-F84 PolarHBondContact O-N 2.9Å; F84-C88 PolarHBondContact O-N 3.37Å; F84-L100 HydrophobicContact CE1-CD1 4.17Å; F84-L100 HydrophobicContact CE1-CD2 4.22Å; F84-L100 HydrophobicContact CE1-CG 4.21Å; F84-C104 HydrophobicContact CD1-CB 4.28Å; F84-C104 HydrophobicContact CE1-CB 4.4Å; F84-L160 HydrophobicContact CE1-CB 4.19Å; F84-L160 HydrophobicContact CE1-CD1 4.25Å; F84-L160 HydrophobicContact CZ-CB 3.79Å; F84-L160 HydrophobicContact CZ-CD1 4.29Å
85V97.4Very high95.3Very high0 Ų054.1 Ų54.10%029%0.286CS..Hα-helixtrans-69.4-38.8178.5177.10000111.3W59 C81 V82 K83 C88 R97 L100 L101W59-V85 HydrophobicContact CH2-CB 3.69Å; W59-V85 HydrophobicContact CH2-CG1 3.31Å; W59-V85 HydrophobicContact CZ2-CB 4.46Å; W59-V85 HydrophobicContact CZ2-CG1 3.9Å; W59-V85 HydrophobicContact CZ3-CB 4.39Å; W59-V85 HydrophobicContact CZ3-CG1 3.85Å; C81-V85 WeakPolarHBondContact O-CG2 3.42Å; C81-V85 PolarHBondContact O-N 2.84Å; V82-V85 PolarHBondContact O-N 3.1Å; V82-V85 VanDerWaalsContact O-N 3.15Å; K83-V85 VanDerWaalsContact C-N 3.28Å; K83-V85 PolarHBondContact O-N 3.28Å; V85-C88 WeakPolarHBondContact O-CB 3.49Å; V85-C88 PolarHBondContact O-N 2.83Å; V85-R97 HydrophobicContact CG1-CB 3.7Å; V85-R97 HydrophobicContact CG1-CG 3.96Å; V85-R97 WeakPolarHBondContact CG1-O 3.26Å; V85-L100 HydrophobicContact CG1-CB 4.4Å; V85-L100 HydrophobicContact CG1-CD2 4.27Å; V85-L100 HydrophobicContact CG2-CB 4.45Å; V85-L100 HydrophobicContact CG2-CD2 4.33Å; V85-L100 HydrophobicContact CG2-CG 4.11Å; V85-L101 HydrophobicContact CG2-CB 4.12Å; V85-L101 HydrophobicContact CG2-CD1 4.08Å
86L95.4Very high95.5Very high90 Ų9052.5 Ų52.547%0.47128%0.276SS..Hα-helixtrans-64.6-38.1175.8-74.7169.5000112.6W59 V82 K83 C88W59-L86 HydrophobicContact CZ2-CD2 3.83Å; W59-L86 HydrophobicContact CZ2-CG 4.06Å; V82-L86 HydrophobicContact CG1-CD1 4.02Å; V82-L86 HydrophobicContact CG1-CG 4.45Å; V82-L86 WeakPolarHBondContact O-CG 3.29Å; V82-L86 PolarHBondContact O-N 2.68Å; K83-L86 PolarHBondContact O-N 2.9Å; L86-C88 PolarHBondContact O-N 3.22Å
87D94Very high95.6Very high103 Ų10351.5 Ų51.555%0.55126%0.256SS*.Hα-helixtrans-73-14.1179-68.5-22.6000112.4K83 K89K83-D87 WeakPolarHBondContact O-CB 3.5Å; K83-D87 VanDerWaalsContact O-CG 3.29Å; K83-D87 PolarHBondContact O-N 2.83Å; D87-K89 PolarHBondContact O-N 2.83Å
88C94.3Very high95.7Very high15 Ų1549.4 Ų49.410%0.10124%0.24CC..  trans-78.5105179-171.40000111.5F84 V85 L86 D90 L100 S163F84-C88 PolarHBondContact O-N 3.37Å; V85-C88 WeakPolarHBondContact O-CB 3.49Å; V85-C88 PolarHBondContact O-N 2.83Å; L86-C88 PolarHBondContact O-N 3.22Å; C88-D90 VanDerWaalsContact C-N 3.32Å; C88-D90 PolarHBondContact O-N 2.77Å; C88-L100 HydrophobicContact CB-CD2 3.71Å; C88-S163 PolarHBondContact SG-OG 3.25Å
89K89.2Confident95.8Very high162 Ų16249.9 Ų49.970%0.70424%0.242SC*.THydrogen-bonded Turntrans-79.4-11.7-174-63.1-176.6-177.3176.50114.5D87 Q92D87-K89 PolarHBondContact O-N 2.83Å; K89-Q92 PolarHBondContact O-NE2 2.85Å
90D90.5Very high95.9Very high1 Ų144.5 Ų44.51%0.00522%0.217CC..THydrogen-bonded Turntrans-85.8-17.3-173.5-11.8-24.8000111.4C88 S163 A164 K227 F229C88-D90 VanDerWaalsContact C-N 3.32Å; C88-D90 PolarHBondContact O-N 2.77Å; D90-S163 PolarHBondContact OD2-OG 2.88Å; D90-A164 HydrophobicContact CB-CB 4.02Å; D90-K227 WeakPolarHBondContact OD1-CB 3.23Å; D90-K227 VanDerWaalsContact OD1-CD 3.29Å; D90-K227 WeakPolarHBondContact OD1-CD 3.47Å; D90-K227 WeakPolarHBondContact OD1-CG 3.45Å; D90-K227 VanDerWaalsContact OD2-CD 3.32Å; D90-K227 WeakPolarHBondContact OD2-CD 3.4Å; D90-K227 WeakPolarHBondContact OD2-CE 3.25Å; D90-K227 IonicContact OD2-NZ 3.25Å; D90-K227 PolarHBondContact OD2-NZ 3.47Å; D90-F229 HydrophobicContact CB-CB 4.09Å; D90-F229 HydrophobicContact CB-CG 4.4Å
91V95.1Very high96Very high0 Ų043.4 Ų43.40%020%0.204CC..  trans-104110.2-178.3-176.50000109.8R97 L100V91-R97 HydrophobicContact CG1-CB 4.45Å; V91-R97 HydrophobicContact CG1-CG 3.82Å; V91-L100 HydrophobicContact CG2-CD2 4.11Å
92Q93.7Very high96Very high91 Ų9143.7 Ų43.743%0.42521%0.206SC..  trans-93.5-34.9-171.4-57.3-52.2-74.200113.3K89 D167 F229K89-Q92 PolarHBondContact O-NE2 2.85Å; Q92-D167 PolarHBondContact N-OD1 2.91Å; Q92-D167 PolarHBondContact N-OD2 3.1Å; Q92-F229 HydrophobicContact CG-CE1 3.84Å; Q92-F229 HydrophobicContact CG-CZ 4.36Å
93T96.1Very high96.1Very high58 Ų5843.4 Ų43.436%0.35620%0.203SC..SBendtrans-93.8149.2-173.572.60000111.1R95 G96 R97 D167T93-R95 PolarHBondContact O-N 2.82Å; T93-G96 PolarHBondContact O-N 3.45Å; T93-G96 VanDerWaalsContact O-N 3.14Å; T93-G96 PolarHBondContact OG1-N 2.95Å; T93-R97 WeakPolarHBondContact O-CG 3.36Å; T93-R97 PolarHBondContact O-N 2.95Å; T93-D167 WeakPolarHBondContact CA-OD1 3.31Å; T93-D167 VanDerWaalsContact CB-OD1 3.3Å; T93-D167 WeakPolarHBondContact CB-OD1 3.29Å; T93-D167 HydrophobicContact CG2-CB 4.13Å; T93-D167 PolarHBondContact N-OD1 2.8Å; T93-D167 PolarHBondContact OG1-OD1 3.03Å
94H97.1Very high96.1Very high40 Ų4037.3 Ų37.319%0.18518%0.177CC..Hα-helixtrans-61.5-33.7173.2-67.9157.9000112.3D56 W59 R97 L98D56-H94 WeakPolarHBondContact CA-ND1 3.49Å; D56-H94 WeakPolarHBondContact OD1-CB 3.25Å; D56-H94 IonicContact OD1-CE1 3.75Å; D56-H94 IonicContact OD1-CG 3.43Å; D56-H94 IonicContact OD1-ND1 3.8Å; D56-H94 PolarHBondContact OD1-ND1 2.92Å; W59-H94 HydrophobicContact CB-CB 3.81Å; W59-H94 AromaticContact CD1-CD2 3.12Å; W59-H94 AromaticContact CD1-CG 3.62Å; W59-H94 AromaticContact CD1-NE2 3.51Å; W59-H94 HydrophobicContact CG-CB 4.1Å; W59-H94 AromaticContact CG-CD2 3.88Å; W59-H94 AromaticContact NE1-CD2 3.74Å; H94-R97 PolarHBondContact CD2-NH1 2.69Å; H94-R97 PolarHBondContact NE2-NH1 3.14Å; H94-R97 PolarHBondContact O-N 3.09Å; H94-L98 WeakPolarHBondContact O-CG 3.43Å; H94-L98 PolarHBondContact O-N 3.17Å
95R97.2Very high96.2Very high67 Ų6734.2 Ų34.225%0.25316%0.163SC..Hα-helixtrans-61.4-46171.7-171.2174.1-179.8178.1-0.3112.2E40 F44 E52 A55 T93 R97 L98 R99E40-R95 IonicContact OE1-NE 2.66Å; E40-R95 IonicContact OE2-CZ 2.65Å; E40-R95 IonicContact OE2-NE 3.88Å; E40-R95 PolarHBondContact OE2-NE 2.99Å; E40-R95 IonicContact OE2-NH2 3.77Å; E40-R95 PolarHBondContact OE2-NH2 2.73Å; F44-R95 HydrophobicContact CZ-CG 4.34Å; E52-R95 IonicContact OE1-NH1 2.66Å; E52-R95 PolarHBondContact OE1-NH1 3.21Å; A55-R95 HydrophobicContact CB-CB 3.79Å; A55-R95 HydrophobicContact CB-CG 4.39Å; T93-R95 PolarHBondContact O-N 2.82Å; R95-R97 VanDerWaalsContact C-N 3.32Å; R95-R97 PolarHBondContact O-N 2.82Å; R95-L98 PolarHBondContact O-N 2.65Å; R95-R99 VanDerWaalsContact NE-NH2 3.17Å; R95-R99 VanDerWaalsContact O-CG 3.32Å; R95-R99 WeakPolarHBondContact O-CG 3.37Å; R95-R99 PolarHBondContact O-N 3.46Å
96G97.7Very high96.2Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-60.6-40.4172.900000112.3T93 R99 L100 D167T93-G96 PolarHBondContact O-N 3.45Å; T93-G96 VanDerWaalsContact O-N 3.14Å; T93-G96 PolarHBondContact OG1-N 2.95Å; G96-R99 WeakPolarHBondContact O-CB 3.3Å; G96-R99 PolarHBondContact O-N 3.38Å; G96-L100 PolarHBondContact O-N 3.28Å; G96-D167 WeakPolarHBondContact CA-OD1 3.4Å
97R97.8Very high96.3Very high54 Ų5433.6 Ų33.620%0.20416%0.158CC..Hα-helixtrans-64-42176.8-70.7-175.2-175.7130.18.9111.8W59 V85 V91 T93 H94 R95 R99 L100 L101W59-R97 HydrophobicContact CD2-CB 3.81Å; W59-R97 HydrophobicContact CE3-CB 3.93Å; W59-R97 HydrophobicContact CG-CB 4.45Å; W59-R97 HydrophobicContact CH2-CB 4.22Å; W59-R97 HydrophobicContact CZ2-CB 4.06Å; W59-R97 HydrophobicContact CZ2-CG 4.4Å; W59-R97 HydrophobicContact CZ3-CB 4.14Å; V85-R97 HydrophobicContact CG1-CB 3.7Å; V85-R97 HydrophobicContact CG1-CG 3.96Å; V85-R97 WeakPolarHBondContact CG1-O 3.26Å; V91-R97 HydrophobicContact CG1-CB 4.45Å; V91-R97 HydrophobicContact CG1-CG 3.82Å; T93-R97 WeakPolarHBondContact O-CG 3.36Å; T93-R97 PolarHBondContact O-N 2.95Å; H94-R97 PolarHBondContact CD2-NH1 2.69Å; H94-R97 PolarHBondContact NE2-NH1 3.14Å; H94-R97 PolarHBondContact O-N 3.09Å; R95-R97 VanDerWaalsContact C-N 3.32Å; R95-R97 PolarHBondContact O-N 2.82Å; R97-R99 VanDerWaalsContact C-N 3.33Å; R97-R99 PolarHBondContact O-N 2.72Å; R97-L100 PolarHBondContact O-N 2.68Å; R97-L101 WeakPolarHBondContact O-CB 3.35Å; R97-L101 PolarHBondContact O-N 2.79Å
98L97.9Very high96.5Very high9 Ų933.7 Ų33.75%0.04715%0.151CC..Hα-helixtrans-60.4-42.3172.5-72.4170.2000111.7A55 L58 W59 I62 H94 R95 L100 L101 I102A55-L98 HydrophobicContact CB-CD1 3.85Å; A55-L98 WeakPolarHBondContact O-CD1 3.32Å; L58-L98 HydrophobicContact CB-CD1 4.25Å; L58-L98 HydrophobicContact CD2-CD1 4.08Å; L58-L98 HydrophobicContact CD2-CD2 4.04Å; L58-L98 HydrophobicContact CG-CD1 4.45Å; L58-L98 HydrophobicContact CG-CD2 4.07Å; W59-L98 HydrophobicContact CB-CD2 4.31Å; W59-L98 HydrophobicContact CB-CG 4.23Å; W59-L98 HydrophobicContact CE3-CD2 4.09Å; W59-L98 HydrophobicContact CE3-CG 4.41Å; I62-L98 HydrophobicContact CD1-CD2 3.67Å; H94-L98 WeakPolarHBondContact O-CG 3.43Å; H94-L98 PolarHBondContact O-N 3.17Å; R95-L98 PolarHBondContact O-N 2.65Å; L98-L100 PolarHBondContact O-N 3.29Å; L98-L101 WeakPolarHBondContact O-CB 3.39Å; L98-L101 PolarHBondContact O-N 3.5Å; L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.44Å; L98-I102 PolarHBondContact O-N 2.78Å
99R98.2Very high96.6Very high10 Ų1037.9 Ų37.94%0.03816%0.164CC..Hα-helixtrans-62.2-43.6175.5-68.6168.8169.3173.1-2.1112.1E40 R95 G96 R97 I102 R103 L166 Q168 W170E40-R99 WeakPolarHBondContact OE1-CG 3.37Å; E40-R99 IonicContact OE1-CZ 3.71Å; E40-R99 IonicContact OE1-NE 3.57Å; E40-R99 PolarHBondContact OE1-NE 3.23Å; E40-R99 IonicContact OE1-NH2 3.14Å; E40-R99 PolarHBondContact OE1-NH2 3.05Å; E40-R99 IonicContact OE2-CZ 2.69Å; E40-R99 IonicContact OE2-NE 2.79Å; E40-R99 IonicContact OE2-NH2 3.3Å; E40-R99 PolarHBondContact OE2-NH2 3.5Å; R95-R99 VanDerWaalsContact NE-NH2 3.17Å; R95-R99 VanDerWaalsContact O-CG 3.32Å; R95-R99 WeakPolarHBondContact O-CG 3.37Å; R95-R99 PolarHBondContact O-N 3.46Å; G96-R99 WeakPolarHBondContact O-CB 3.3Å; G96-R99 PolarHBondContact O-N 3.38Å; R97-R99 VanDerWaalsContact C-N 3.33Å; R97-R99 PolarHBondContact O-N 2.72Å; R99-I102 PolarHBondContact O-N 2.93Å; R99-R103 WeakPolarHBondContact O-CG 3.41Å; R99-R103 PolarHBondContact O-N 2.66Å; R99-R103 VanDerWaalsContact O-N 3.13Å; R99-L166 HydrophobicContact CB-CB 4.29Å; R99-L166 HydrophobicContact CB-CD2 4.19Å; R99-L166 WeakPolarHBondContact CD-O 3.34Å; R99-L166 PolarHBondContact NH1-O 2.79Å; R99-Q168 PolarHBondContact NH1-O 3.37Å; R99-W170 HydrophobicContact CB-CE3 4.25Å; R99-W170 HydrophobicContact CB-CH2 3.71Å; R99-W170 HydrophobicContact CB-CZ2 4.07Å; R99-W170 HydrophobicContact CB-CZ3 3.79Å; R99-W170 HydrophobicContact CG-CD2 4.2Å; R99-W170 HydrophobicContact CG-CE3 4.34Å; R99-W170 HydrophobicContact CG-CH2 3.76Å; R99-W170 HydrophobicContact CG-CZ2 3.56Å; R99-W170 HydrophobicContact CG-CZ3 4.13Å
100L98.2Very high97Very high0 Ų030.6 Ų30.60%013%0.133CC..Hα-helixtrans-65.4-40.3175.7-175.158.6000111.5F84 V85 C88 V91 G96 R97 L98 R103 C104 L166F84-L100 HydrophobicContact CE1-CD1 4.17Å; F84-L100 HydrophobicContact CE1-CD2 4.22Å; F84-L100 HydrophobicContact CE1-CG 4.21Å; V85-L100 HydrophobicContact CG1-CB 4.4Å; V85-L100 HydrophobicContact CG1-CD2 4.27Å; V85-L100 HydrophobicContact CG2-CB 4.45Å; V85-L100 HydrophobicContact CG2-CD2 4.33Å; V85-L100 HydrophobicContact CG2-CG 4.11Å; C88-L100 HydrophobicContact CB-CD2 3.71Å; V91-L100 HydrophobicContact CG2-CD2 4.11Å; G96-L100 PolarHBondContact O-N 3.28Å; R97-L100 PolarHBondContact O-N 2.68Å; L98-L100 PolarHBondContact O-N 3.29Å; L100-R103 PolarHBondContact O-N 3.24Å; L100-C104 WeakPolarHBondContact O-CB 3.5Å; L100-C104 PolarHBondContact O-N 3.13Å; L100-L166 HydrophobicContact CB-CD1 3.74Å; L100-L166 HydrophobicContact CD1-CD1 3.82Å; L100-L166 HydrophobicContact CG-CD1 4.34Å
101L98.2Very high97.4Very high5 Ų530.9 Ų30.93%0.02614%0.135CC..Hα-helixtrans-59.6-47.4175.5-175.878000110.9W59 I62 V82 V85 R97 L98 R103 C104 A105 I114W59-L101 HydrophobicContact CZ3-CB 4.18Å; W59-L101 HydrophobicContact CZ3-CD1 4.29Å; W59-L101 HydrophobicContact CZ3-CD2 4.17Å; W59-L101 HydrophobicContact CZ3-CG 4.45Å; I62-L101 HydrophobicContact CD1-CD2 3.66Å; I62-L101 HydrophobicContact CG2-CD2 3.96Å; V82-L101 HydrophobicContact CG2-CD1 4.21Å; V85-L101 HydrophobicContact CG2-CB 4.12Å; V85-L101 HydrophobicContact CG2-CD1 4.08Å; R97-L101 WeakPolarHBondContact O-CB 3.35Å; R97-L101 PolarHBondContact O-N 2.79Å; L98-L101 WeakPolarHBondContact O-CB 3.39Å; L98-L101 PolarHBondContact O-N 3.5Å; L101-R103 VanDerWaalsContact C-N 3.34Å; L101-R103 PolarHBondContact O-N 2.71Å; L101-C104 PolarHBondContact O-N 2.78Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 2.77Å; L101-I114 HydrophobicContact CD1-CD1 4.3Å; L101-I114 HydrophobicContact CD2-CD1 4.41Å; L101-I114 HydrophobicContact CG-CD1 4.31Å
102I98.3Very high97.5Very high7 Ų732.2 Ų32.24%0.03614%0.141CC..Hα-helixtrans-57.3-48.4176.7-70.8163.6000110.3L39 F43 L98 R99 C104 A105 L106 L111 W170L39-I102 HydrophobicContact CD1-CG2 4Å; F43-I102 HydrophobicContact CD2-CD1 4Å; F43-I102 HydrophobicContact CE2-CD1 3.79Å; F43-I102 HydrophobicContact CE2-CG1 4.01Å; L98-I102 VanDerWaalsContact O-CG1 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.44Å; L98-I102 PolarHBondContact O-N 2.78Å; R99-I102 PolarHBondContact O-N 2.93Å; I102-C104 PolarHBondContact O-N 2.74Å; I102-A105 PolarHBondContact O-N 3.36Å; I102-L106 HydrophobicContact CG2-CD1 3.94Å; I102-L106 HydrophobicContact CG2-CG 4.4Å; I102-L106 WeakPolarHBondContact O-CB 3.48Å; I102-L106 VanDerWaalsContact O-CG 3.26Å; I102-L106 WeakPolarHBondContact O-CG 3.4Å; I102-L106 PolarHBondContact O-N 3.26Å; I102-L111 HydrophobicContact CG2-CD2 4.39Å; I102-W170 HydrophobicContact CB-CH2 3.91Å; I102-W170 HydrophobicContact CD1-CH2 3.81Å; I102-W170 HydrophobicContact CD1-CZ2 3.96Å; I102-W170 HydrophobicContact CG1-CH2 4.47Å; I102-W170 HydrophobicContact CG2-CH2 3.86Å
103R98.1Very high97.7Very high6 Ų629.9 Ų29.92%0.02313%0.131CC..Hα-helixtrans-59.8-47.9178.3-69.4166.860.171.32.9111.7D27 R99 L100 L101 A105 L106 Q107 L158 T159 L160 W170D27-R103 IonicContact OD1-CZ 2.66Å; D27-R103 IonicContact OD1-NH1 3.43Å; D27-R103 PolarHBondContact OD1-NH1 2.83Å; D27-R103 IonicContact OD1-NH2 3.98Å; D27-R103 PolarHBondContact OD1-NH2 2.78Å; D27-R103 IonicContact OD2-NH2 2.63Å; R99-R103 WeakPolarHBondContact O-CG 3.41Å; R99-R103 PolarHBondContact O-N 2.66Å; R99-R103 VanDerWaalsContact O-N 3.13Å; L100-R103 PolarHBondContact O-N 3.24Å; L101-R103 VanDerWaalsContact C-N 3.34Å; L101-R103 PolarHBondContact O-N 2.71Å; R103-A105 PolarHBondContact O-N 3.34Å; R103-L106 PolarHBondContact O-N 2.86Å; R103-Q107 PolarHBondContact O-N 2.73Å; R103-Q107 VanDerWaalsContact O-N 3.09Å; R103-L158 HydrophobicContact CB-CD1 4Å; R103-L158 HydrophobicContact CG-CD1 4.28Å; R103-T159 PolarHBondContact NH2-O 2.8Å; R103-L160 HydrophobicContact CB-CD2 3.91Å; R103-W170 HydrophobicContact CG-CZ3 3.93Å
104C98Very high97.7Very high0 Ų027.3 Ų27.30%012%0.115CC..Hα-helixtrans-62.6-43.2178.7-169.40000111.5C81 F84 L100 L101 I102 Q107 R108 L160C81-C104 PolarHBondContact SG-SG 3.38Å; F84-C104 HydrophobicContact CD1-CB 4.28Å; F84-C104 HydrophobicContact CE1-CB 4.4Å; L100-C104 WeakPolarHBondContact O-CB 3.5Å; L100-C104 PolarHBondContact O-N 3.13Å; L101-C104 PolarHBondContact O-N 2.78Å; I102-C104 PolarHBondContact O-N 2.74Å; C104-Q107 PolarHBondContact O-N 3.06Å; C104-R108 WeakPolarHBondContact O-CB 3.19Å; C104-R108 WeakPolarHBondContact O-CG 3.15Å; C104-R108 PolarHBondContact O-N 3.19Å; C104-R108 PolarHBondContact SG-NE 3.44Å; C104-R108 VanDerWaalsContact SG-NE 3.38Å; C104-L160 HydrophobicContact CB-CD1 4.22Å; C104-L160 HydrophobicContact CB-CD2 4.48Å
105A98.3Very high97.7Very high0 Ų025.4 Ų25.40%011%0.106CC..Hα-helixtrans-70.4-32.7-179.200000113.1L101 I102 R103 R109 I110 L111 I114L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 2.77Å; I102-A105 PolarHBondContact O-N 3.36Å; R103-A105 PolarHBondContact O-N 3.34Å; A105-R109 WeakPolarHBondContact O-CA 3.38Å; A105-R109 PolarHBondContact O-N 3.28Å; A105-I110 HydrophobicContact CB-CG1 3.96Å; A105-I110 PolarHBondContact O-N 2.95Å; A105-L111 HydrophobicContact CB-CB 3.85Å; A105-L111 HydrophobicContact CB-CD1 4.01Å; A105-L111 PolarHBondContact O-N 2.81Å; A105-I114 HydrophobicContact CB-CD1 3.76Å
106L97.8Very high97.7Very high6 Ų625.2 Ų25.23%0.03111%0.108CC..Hα-helixtrans-64.7-50.2170.4-73.8170.8000110.7L32 L35 I102 R103 R108 R109 L111 L151 F156L32-L106 HydrophobicContact CD1-CD1 4.34Å; L35-L106 HydrophobicContact CD2-CD1 4.06Å; L35-L106 HydrophobicContact CD2-CD2 4.11Å; I102-L106 HydrophobicContact CG2-CD1 3.94Å; I102-L106 HydrophobicContact CG2-CG 4.4Å; I102-L106 WeakPolarHBondContact O-CB 3.48Å; I102-L106 VanDerWaalsContact O-CG 3.26Å; I102-L106 WeakPolarHBondContact O-CG 3.4Å; I102-L106 PolarHBondContact O-N 3.26Å; R103-L106 PolarHBondContact O-N 2.86Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3.24Å; L106-R109 PolarHBondContact O-N 3.18Å; L106-R109 VanDerWaalsContact O-N 3.12Å; L106-L111 HydrophobicContact CD2-CD2 3.83Å; L106-L111 HydrophobicContact CG-CD2 4.1Å; L106-L151 HydrophobicContact CD2-CD1 3.86Å; L106-F156 HydrophobicContact CB-CD1 4.44Å; L106-F156 HydrophobicContact CB-CD2 4.16Å; L106-F156 HydrophobicContact CB-CE2 4.37Å; L106-F156 HydrophobicContact CB-CG 4.2Å; L106-F156 HydrophobicContact CD2-CE2 4.16Å; L106-F156 HydrophobicContact CD2-CZ 4.09Å
107Q97.2Very high97.6Very high72 Ų7225.5 Ų25.534%0.33611%0.109SC..Hα-helixtrans-62.4-36.5178.1-179.7164.6-27.700113.2R103 C104 F156 L158R103-Q107 PolarHBondContact O-N 2.73Å; R103-Q107 VanDerWaalsContact O-N 3.09Å; C104-Q107 PolarHBondContact O-N 3.06Å; Q107-F156 HydrophobicContact CB-CB 4.47Å; Q107-L158 VanDerWaalsContact OE1-N 3.15Å; Q107-L158 PolarHBondContact OE1-O 3.46Å
108R97.1Very high97.5Very high105 Ų10523.1 Ų23.140%0.39610%0.101SC..THydrogen-bonded Turntrans-85.6-4.4176.8-66.6-177.9-175.9-158.55.1113.9G80 C104 L106 I110G80-R108 VanDerWaalsContact C-NH1 3.32Å; G80-R108 PolarHBondContact O-NH1 3.15Å; C104-R108 WeakPolarHBondContact O-CB 3.19Å; C104-R108 WeakPolarHBondContact O-CG 3.15Å; C104-R108 PolarHBondContact O-N 3.19Å; C104-R108 PolarHBondContact SG-NE 3.44Å; C104-R108 VanDerWaalsContact SG-NE 3.38Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3.24Å; R108-I110 HydrophobicContact CB-CD1 4.18Å; R108-I110 HydrophobicContact CB-CG1 4.04Å; R108-I110 WeakPolarHBondContact O-CG2 3.4Å; R108-I110 PolarHBondContact O-N 3.39Å
109R97.1Very high97.3Very high102 Ų10223.9 Ų23.939%0.38511%0.106SC..THydrogen-bonded Turntrans57.843.6-179.6-54174.7-178.3-165.410.8113.3A105 L106 H112 N152 N155A105-R109 WeakPolarHBondContact O-CA 3.38Å; A105-R109 PolarHBondContact O-N 3.28Å; L106-R109 PolarHBondContact O-N 3.18Å; L106-R109 VanDerWaalsContact O-N 3.12Å; R109-H112 PolarHBondContact O-CE1 2.7Å; R109-H112 VanDerWaalsContact O-CE1 3.27Å; R109-N152 HydrophobicContact CB-CB 4.2Å; R109-N152 VanDerWaalsContact CD-O 3.24Å; R109-N152 WeakPolarHBondContact CD-O 3.44Å; R109-N152 VanDerWaalsContact CZ-O 3.31Å; R109-N152 PolarHBondContact NE-O 2.63Å; R109-N152 PolarHBondContact NH1-O 2.99Å; R109-N152 PolarHBondContact O-OD1 2.66Å; R109-N155 PolarHBondContact NH2-OD1 2.87Å; R109-N155 VanDerWaalsContact NH2-OD1 3.17Å
110I97.4Very high97.1Very high9 Ų929.4 Ų29.45%0.04613%0.127CC..  trans-1274.2-17862.3173.6000113.7S77 V78 C81 A105 R108 H112 I113 I114S77-I110 WeakPolarHBondContact O-CD1 3.34Å; V78-I110 HydrophobicContact CG2-CD1 4.38Å; C81-I110 HydrophobicContact CB-CD1 3.73Å; A105-I110 HydrophobicContact CB-CG1 3.96Å; A105-I110 PolarHBondContact O-N 2.95Å; R108-I110 HydrophobicContact CB-CD1 4.18Å; R108-I110 HydrophobicContact CB-CG1 4.04Å; R108-I110 WeakPolarHBondContact O-CG2 3.4Å; R108-I110 PolarHBondContact O-N 3.39Å; I110-H112 VanDerWaalsContact C-N 3.29Å; I110-H112 PolarHBondContact O-N 3.36Å; I110-I113 HydrophobicContact CB-CD1 4.17Å; I110-I113 HydrophobicContact CG2-CD1 4.01Å; I110-I113 WeakPolarHBondContact O-CB 3.3Å; I110-I113 PolarHBondContact O-N 2.57Å; I110-I114 HydrophobicContact CD1-CD1 4.46Å; I110-I114 HydrophobicContact CG1-CD1 4.43Å; I110-I114 PolarHBondContact O-N 2.91Å; I110-I114 VanDerWaalsContact O-N 3.12Å
111L97.8Very high96.7Very high8 Ų832.9 Ų32.94%0.04214%0.14CC..Hα-helixtrans-59.7-40.2-175.3-177.658.7000112.4L39 I102 A105 L106 I113 I114 V115 L148L39-L111 HydrophobicContact CD1-CD2 3.82Å; I102-L111 HydrophobicContact CG2-CD2 4.39Å; A105-L111 HydrophobicContact CB-CB 3.85Å; A105-L111 HydrophobicContact CB-CD1 4.01Å; A105-L111 PolarHBondContact O-N 2.81Å; L106-L111 HydrophobicContact CD2-CD2 3.83Å; L106-L111 HydrophobicContact CG-CD2 4.1Å; L111-I113 VanDerWaalsContact C-N 3.31Å; L111-I113 PolarHBondContact O-N 2.91Å; L111-I114 PolarHBondContact O-N 2.99Å; L111-V115 WeakPolarHBondContact O-CG2 3.44Å; L111-V115 PolarHBondContact O-N 2.92Å; L111-L148 HydrophobicContact CD2-CD2 3.87Å; L111-L148 HydrophobicContact CG-CD1 4.28Å; L111-L148 HydrophobicContact CG-CD2 4.31Å
112H97.9Very high96.1Very high27 Ų2736.4 Ų36.413%0.12517%0.165CC..Hα-helixtrans-60.1-40.1174.664.2-72.5000112.2R109 I110 I114 V115 E116 I145 L148 A149 N152R109-H112 PolarHBondContact O-CE1 2.7Å; R109-H112 VanDerWaalsContact O-CE1 3.27Å; I110-H112 VanDerWaalsContact C-N 3.29Å; I110-H112 PolarHBondContact O-N 3.36Å; H112-I114 PolarHBondContact O-N 2.89Å; H112-V115 PolarHBondContact O-N 2.95Å; H112-E116 VanDerWaalsContact O-CB 3.29Å; H112-E116 WeakPolarHBondContact O-CB 2.95Å; H112-E116 PolarHBondContact O-N 3.21Å; H112-I145 HydrophobicContact CB-CG2 4.46Å; H112-L148 HydrophobicContact CB-CB 3.7Å; H112-A149 HydrophobicContact CB-CB 4.3Å; H112-N152 PolarHBondContact CE1-ND2 3.1Å; H112-N152 PolarHBondContact CE1-OD1 3.38Å; H112-N152 PolarHBondContact ND1-ND2 3.45Å; H112-N152 PolarHBondContact ND1-OD1 2.84Å; H112-N152 PolarHBondContact NE2-ND2 2.66Å
113I97.6Very high95.7Very high42 Ų4240.7 Ų40.722%0.21519%0.185CC..Hα-helixtrans-63.1-43.1177.7-51.5-179.4000110.8P75 V78 I110 L111 V115 E116 L117P75-I113 HydrophobicContact CG-CG2 3.97Å; V78-I113 HydrophobicContact CG2-CG2 4.08Å; I110-I113 HydrophobicContact CB-CD1 4.17Å; I110-I113 HydrophobicContact CG2-CD1 4.01Å; I110-I113 WeakPolarHBondContact O-CB 3.3Å; I110-I113 PolarHBondContact O-N 2.57Å; L111-I113 VanDerWaalsContact C-N 3.31Å; L111-I113 PolarHBondContact O-N 2.91Å; I113-V115 VanDerWaalsContact C-N 3.33Å; I113-V115 PolarHBondContact O-N 3.14Å; I113-E116 PolarHBondContact O-N 3.34Å; I113-L117 HydrophobicContact CG2-CD1 4.19Å; I113-L117 HydrophobicContact CG2-CG 4.47Å; I113-L117 VanDerWaalsContact O-CG 3.28Å; I113-L117 WeakPolarHBondContact O-CG 3.24Å; I113-L117 PolarHBondContact O-N 3.3Å
114I97.2Very high95.3Very high4 Ų441 Ų412%0.02119%0.187CC..Hα-helixtrans-61.1-45.5178.5-62.3174.8000110.3V78 L101 A105 I110 L111 H112 L117 L118V78-I114 HydrophobicContact CG1-CG1 4.01Å; V78-I114 HydrophobicContact CG2-CG1 3.97Å; L101-I114 HydrophobicContact CD1-CD1 4.3Å; L101-I114 HydrophobicContact CD2-CD1 4.41Å; L101-I114 HydrophobicContact CG-CD1 4.31Å; A105-I114 HydrophobicContact CB-CD1 3.76Å; I110-I114 HydrophobicContact CD1-CD1 4.46Å; I110-I114 HydrophobicContact CG1-CD1 4.43Å; I110-I114 PolarHBondContact O-N 2.91Å; I110-I114 VanDerWaalsContact O-N 3.12Å; L111-I114 PolarHBondContact O-N 2.99Å; H112-I114 PolarHBondContact O-N 2.89Å; I114-L117 PolarHBondContact O-N 3.21Å; I114-L118 HydrophobicContact CG2-CD1 4.35Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 2.89Å; I114-L118 VanDerWaalsContact O-N 3.13Å
115V96.8Very high95Very high1 Ų141.3 Ų41.31%0.00619%0.188CC..Hα-helixtrans-65.3-42.4178.3177.10000111.3F43 L111 H112 I113 L117 L118 V119 L135 L144 I145 L148F43-V115 HydrophobicContact CE1-CG2 3.83Å; F43-V115 HydrophobicContact CZ-CG2 3.87Å; L111-V115 WeakPolarHBondContact O-CG2 3.44Å; L111-V115 PolarHBondContact O-N 2.92Å; H112-V115 PolarHBondContact O-N 2.95Å; I113-V115 VanDerWaalsContact C-N 3.33Å; I113-V115 PolarHBondContact O-N 3.14Å; V115-L117 VanDerWaalsContact C-N 3.34Å; V115-L117 PolarHBondContact O-N 2.97Å; V115-L118 PolarHBondContact O-N 3.43Å; V115-V119 HydrophobicContact CG1-CG2 4.17Å; V115-V119 VanDerWaalsContact O-CG2 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.47Å; V115-V119 PolarHBondContact O-N 2.81Å; V115-L135 HydrophobicContact CG1-CD2 3.77Å; V115-L144 HydrophobicContact CG1-CD2 4.02Å; V115-L144 HydrophobicContact CG1-CG 4.48Å; V115-I145 HydrophobicContact CB-CG1 4.32Å; V115-I145 HydrophobicContact CG1-CD1 4.48Å; V115-I145 HydrophobicContact CG1-CG1 3.81Å; V115-L148 HydrophobicContact CB-CD1 4.26Å; V115-L148 HydrophobicContact CG2-CD1 3.73Å
116E96.7Very high94.6Very high63 Ų6348.6 Ų48.629%0.29422%0.22SC..Hα-helixtrans-59.8-41.8177-176.3-174154.300112.3H112 I113 V119 R120 I145H112-E116 VanDerWaalsContact O-CB 3.29Å; H112-E116 WeakPolarHBondContact O-CB 2.95Å; H112-E116 PolarHBondContact O-N 3.21Å; I113-E116 PolarHBondContact O-N 3.34Å; E116-V119 PolarHBondContact O-N 3.27Å; E116-R120 WeakPolarHBondContact O-CB 3.39Å; E116-R120 PolarHBondContact O-N 3.06Å; E116-R120 IonicContact OE1-CZ 3.74Å; E116-R120 IonicContact OE1-NH1 2.9Å; E116-R120 IonicContact OE1-NH2 2.61Å; E116-R120 PolarHBondContact OE1-NH2 2.77Å; E116-I145 HydrophobicContact CB-CD1 4.08Å; E116-I145 HydrophobicContact CB-CG1 4.43Å; E116-I145 HydrophobicContact CB-CG2 4.37Å; E116-I145 HydrophobicContact CG-CD1 4.46Å
117L96Very high94.2Very high5 Ų554.3 Ų54.33%0.02625%0.251CS..Hα-helixtrans-64-43.2174.9-68.6169.1000111.8L65 Y69 F74 P75 V78 I113 I114 V115 V119L65-L117 HydrophobicContact CD1-CB 4.34Å; L65-L117 HydrophobicContact CD2-CB 4.17Å; Y69-L117 HydrophobicContact CD1-CD2 4.43Å; Y69-L117 HydrophobicContact CD2-CD2 4.4Å; Y69-L117 HydrophobicContact CE1-CD2 3.9Å; Y69-L117 HydrophobicContact CE2-CB 4.28Å; Y69-L117 HydrophobicContact CE2-CD2 3.87Å; Y69-L117 WeakPolarHBondContact OH-CA 3.29Å; Y69-L117 PolarHBondContact OH-O 2.92Å; F74-L117 HydrophobicContact CD2-CD1 4.38Å; F74-L117 HydrophobicContact CE2-CD1 3.95Å; P75-L117 HydrophobicContact CG-CD1 4.25Å; V78-L117 HydrophobicContact CG1-CD1 4.45Å; V78-L117 HydrophobicContact CG2-CD1 4.19Å; I113-L117 HydrophobicContact CG2-CD1 4.19Å; I113-L117 HydrophobicContact CG2-CG 4.47Å; I113-L117 VanDerWaalsContact O-CG 3.28Å; I113-L117 WeakPolarHBondContact O-CG 3.24Å; I113-L117 PolarHBondContact O-N 3.3Å; I114-L117 PolarHBondContact O-N 3.21Å; V115-L117 VanDerWaalsContact C-N 3.34Å; V115-L117 PolarHBondContact O-N 2.97Å; L117-V119 PolarHBondContact O-N 2.77Å
118L95.4Very high94.1Very high4 Ų451.1 Ų51.12%0.02124%0.236CC..Hα-helixtrans-61.6-45.6176.5-73.1167.8000111.9L58 I62 L65 I114 V115 I124 L125L58-L118 HydrophobicContact CD1-CD1 4.15Å; I62-L118 HydrophobicContact CD1-CD1 4.27Å; I62-L118 HydrophobicContact CG1-CD1 3.98Å; I62-L118 HydrophobicContact CG1-CD2 4.04Å; I62-L118 HydrophobicContact CG1-CG 4.43Å; L65-L118 HydrophobicContact CD1-CD2 4.28Å; L65-L118 HydrophobicContact CD1-CG 4.38Å; L65-L118 HydrophobicContact CD2-CD2 4.04Å; L65-L118 HydrophobicContact CD2-CG 4.48Å; L65-L118 HydrophobicContact CG-CD2 4.31Å; I114-L118 HydrophobicContact CG2-CD1 4.35Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 2.89Å; I114-L118 VanDerWaalsContact O-N 3.13Å; V115-L118 PolarHBondContact O-N 3.43Å; L118-I124 HydrophobicContact CD2-CG2 4.23Å; L118-L125 HydrophobicContact CB-CD1 4.21Å; L118-L125 HydrophobicContact CB-CD2 4.22Å; L118-L125 HydrophobicContact CB-CG 4.48Å; L118-L125 HydrophobicContact CD2-CD2 4.3Å; L118-L125 WeakPolarHBondContact O-CD1 3.35Å
119V94.6Very high94Very high26 Ų2646.5 Ų46.516%0.15822%0.219CC..Hα-helixtrans-71.8-37.2-176.4172.60000111.9V115 E116 L117 R121 L125 L135V115-V119 HydrophobicContact CG1-CG2 4.17Å; V115-V119 VanDerWaalsContact O-CG2 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.47Å; V115-V119 PolarHBondContact O-N 2.81Å; E116-V119 PolarHBondContact O-N 3.27Å; L117-V119 PolarHBondContact O-N 2.77Å; V119-R121 PolarHBondContact O-N 3.37Å; V119-L125 HydrophobicContact CG2-CD1 4.15Å; V119-L135 HydrophobicContact CG2-CD2 3.97Å
120R93.3Very high93.8Very high125 Ų12543.9 Ų43.947%0.47221%0.212SC..Hα-helixtrans-61.2-29.4-179.7178.2177-66.7126.22.1113.1E116E116-R120 WeakPolarHBondContact O-CB 3.39Å; E116-R120 PolarHBondContact O-N 3.06Å; E116-R120 IonicContact OE1-CZ 3.74Å; E116-R120 IonicContact OE1-NH1 2.9Å; E116-R120 IonicContact OE1-NH2 2.61Å; E116-R120 PolarHBondContact OE1-NH2 2.77Å
121R89.9Confident93.5Very high73 Ų7348.2 Ų48.228%0.27524%0.243SC..SBendtrans-10872.7177.7-67.5-78.1-175.5-1091.1108.9Y68 Y69 V119 E123 I124Y68-R121 PolarHBondContact O-NE 3.2Å; Y68-R121 PolarHBondContact O-NH2 3.17Å; Y69-R121 HydrophobicContact CE1-CG 4.31Å; Y69-R121 HydrophobicContact CE2-CG 3.95Å; Y69-R121 VanDerWaalsContact OH-CG 3.25Å; Y69-R121 WeakPolarHBondContact OH-CG 3.44Å; V119-R121 PolarHBondContact O-N 3.37Å; R121-E123 VanDerWaalsContact C-OE2 3.29Å; R121-E123 WeakPolarHBondContact CB-OE1 3.41Å; R121-E123 WeakPolarHBondContact CD-OE1 3.28Å; R121-E123 PolarHBondContact O-N 3.06Å; R121-I124 HydrophobicContact CB-CD1 3.59Å; R121-I124 HydrophobicContact CB-CG1 3.89Å; R121-I124 HydrophobicContact CG-CD1 4.4Å; R121-I124 WeakPolarHBondContact O-CB 3.26Å; R121-I124 WeakPolarHBondContact O-CG1 3.41Å; R121-I124 PolarHBondContact O-N 3.43Å
122S86.5Confident93Very high80 Ų8050.7 Ų50.756%0.55927%0.265SS*.Hα-helixtrans-52.2-28.2-173.565.60000114.2I124 L125 K126S122-I124 PolarHBondContact O-N 2.97Å; S122-L125 PolarHBondContact O-N 2.53Å; S122-L125 VanDerWaalsContact O-N 3.11Å; S122-K126 WeakPolarHBondContact O-CB 2.85Å; S122-K126 PolarHBondContact O-N 3.35Å
123E88.9Confident92.8Very high97 Ų9749.4 Ų49.445%0.45326%0.259SS..Hα-helixtrans-57.5-30174.359.8-84.3-16700113.7Y68 R121Y68-E123 HydrophobicContact CE1-CG 4.36Å; R121-E123 VanDerWaalsContact C-OE2 3.29Å; R121-E123 WeakPolarHBondContact CB-OE1 3.41Å; R121-E123 WeakPolarHBondContact CD-OE1 3.28Å; R121-E123 PolarHBondContact O-N 3.06Å
124I89.4Confident92.7Very high11 Ų1147.4 Ų47.46%0.05625%0.249CC..Hα-helixtrans-68.4-41.2176.9-58.4179.4000110.1S61 L65 Y68 L118 R121 S122S61-I124 VanDerWaalsContact CB-CG2 3.44Å; S61-I124 WeakPolarHBondContact OG-CG2 3.42Å; L65-I124 HydrophobicContact CD2-CD1 3.79Å; Y68-I124 HydrophobicContact CD1-CD1 4.21Å; Y68-I124 HydrophobicContact CD1-CG1 4.18Å; Y68-I124 HydrophobicContact CD2-CD1 3.69Å; Y68-I124 HydrophobicContact CD2-CG1 4.22Å; Y68-I124 HydrophobicContact CE1-CD1 4.43Å; Y68-I124 HydrophobicContact CE1-CG1 3.99Å; Y68-I124 HydrophobicContact CE2-CD1 3.94Å; Y68-I124 HydrophobicContact CE2-CG1 4.03Å; Y68-I124 HydrophobicContact CG-CD1 3.84Å; Y68-I124 HydrophobicContact CG-CG1 4.3Å; L118-I124 HydrophobicContact CD2-CG2 4.23Å; R121-I124 HydrophobicContact CB-CD1 3.59Å; R121-I124 HydrophobicContact CB-CG1 3.89Å; R121-I124 HydrophobicContact CG-CD1 4.4Å; R121-I124 WeakPolarHBondContact O-CB 3.26Å; R121-I124 WeakPolarHBondContact O-CG1 3.41Å; R121-I124 PolarHBondContact O-N 3.43Å; S122-I124 PolarHBondContact O-N 2.97Å
125L92.4Very high92.5Very high7 Ų747.5 Ų47.54%0.03725%0.249CC..Hα-helixtrans-91.3-20.6-172.3-61.3-172.9000113.6L118 V119 S122 N127 I128 Y129 L135L118-L125 HydrophobicContact CB-CD1 4.21Å; L118-L125 HydrophobicContact CB-CD2 4.22Å; L118-L125 HydrophobicContact CB-CG 4.48Å; L118-L125 HydrophobicContact CD2-CD2 4.3Å; L118-L125 WeakPolarHBondContact O-CD1 3.35Å; V119-L125 HydrophobicContact CG2-CD1 4.15Å; S122-L125 PolarHBondContact O-N 2.53Å; S122-L125 VanDerWaalsContact O-N 3.11Å; L125-N127 PolarHBondContact O-N 3.04Å; L125-N127 VanDerWaalsContact O-N 3.08Å; L125-I128 PolarHBondContact O-N 3.29Å; L125-Y129 HydrophobicContact CB-CD2 4.01Å; L125-Y129 HydrophobicContact CD2-CD2 4.04Å; L125-Y129 HydrophobicContact CD2-CE2 3.87Å; L125-Y129 HydrophobicContact CG-CD2 4.45Å; L125-Y129 PolarHBondContact O-N 3.43Å; L125-L135 HydrophobicContact CD1-CB 4.31Å
126K89.8Confident92.4Very high154 Ų15449.2 Ų49.267%0.6727%0.268SS*.THydrogen-bonded Turntrans-54.5-31.8-172.6-173.1178.4179.4-177.40114.5S122S122-K126 WeakPolarHBondContact O-CB 2.85Å; S122-K126 PolarHBondContact O-N 3.35Å
127N89.9Confident92.2Very high126 Ų12648.5 Ų48.567%0.67427%0.266SS*.THydrogen-bonded Turntrans-96.4-0-179.5-62.2-26.1000113.3L125L125-N127 PolarHBondContact O-N 3.04Å; L125-N127 VanDerWaalsContact O-N 3.08Å
128I95Very high92Very high5 Ų555.7 Ų55.73%0.02630%0.299CS..THydrogen-bonded Turntrans-107-39.8-178.4-54.2177.4000110T47 Y48 T54 L57 L125T47-I128 VanDerWaalsContact CA-O 3.22Å; T47-I128 WeakPolarHBondContact CA-O 3.2Å; T47-I128 WeakPolarHBondContact CB-O 3.49Å; T47-I128 HydrophobicContact CG2-CG2 4.29Å; Y48-I128 PolarHBondContact N-O 2.98Å; Y48-I128 VanDerWaalsContact N-O 3.11Å; T54-I128 HydrophobicContact CG2-CG2 4.35Å; L57-I128 HydrophobicContact CB-CD1 3.88Å; L57-I128 HydrophobicContact CB-CG1 4.06Å; L57-I128 HydrophobicContact CD1-CG1 4.34Å; L125-I128 PolarHBondContact O-N 3.29Å
129Y95.2Very high91.9Very high8 Ų860.1 Ų60.13%0.03132%0.322CS..BIsolated β-bridgetrans-119.3140.7-168.4-69.6-77.9000113F43 G46 T47 Y48 L58 L125 S133 L135F43-Y129 WeakPolarHBondContact O-CE1 3.49Å; F43-Y129 VanDerWaalsContact O-CZ 3.3Å; F43-Y129 PolarHBondContact O-OH 3.12Å; G46-Y129 WeakPolarHBondContact O-CA 3.32Å; T47-Y129 HydrophobicContact CG2-CD1 3.54Å; T47-Y129 HydrophobicContact CG2-CE1 3.23Å; T47-Y129 HydrophobicContact CG2-CG 4.41Å; Y48-Y129 VanDerWaalsContact CE2-C 3.44Å; Y48-Y129 VanDerWaalsContact CE2-O 3.26Å; Y48-Y129 WeakPolarHBondContact CE2-O 3.47Å; Y48-Y129 PolarHBondContact OH-O 3.28Å; L58-Y129 HydrophobicContact CD1-CE2 4.5Å; L125-Y129 HydrophobicContact CB-CD2 4.01Å; L125-Y129 HydrophobicContact CD2-CD2 4.04Å; L125-Y129 HydrophobicContact CD2-CE2 3.87Å; L125-Y129 HydrophobicContact CG-CD2 4.45Å; L125-Y129 PolarHBondContact O-N 3.43Å; Y129-S133 WeakPolarHBondContact CB-OG 3.42Å; Y129-L135 HydrophobicContact CD1-CB 4.1Å; Y129-L135 HydrophobicContact CD2-CB 4.16Å; Y129-L135 HydrophobicContact CE1-CB 4.11Å; Y129-L135 HydrophobicContact CE1-CD1 3.8Å; Y129-L135 HydrophobicContact CE1-CG 4.45Å; Y129-L135 HydrophobicContact CE2-CB 4.19Å; Y129-L135 HydrophobicContact CE2-CD1 3.72Å; Y129-L135 HydrophobicContact CG-CB 4.14Å; Y129-L135 VanDerWaalsContact OH-CD1 3.29Å; Y129-L135 WeakPolarHBondContact OH-CD1 3.23Å
130D92.5Very high91.9Very high47 Ų4759.4 Ų59.425%0.25132%0.317SS..  trans-78.1167.7165.472.833.1000112G46 Y48 A132 S133G46-D130 WeakPolarHBondContact CA-OD2 3.12Å; G46-D130 VanDerWaalsContact O-CG 3.25Å; G46-D130 PolarHBondContact O-N 3.17Å; Y48-D130 HydrophobicContact CE1-CB 3.75Å; Y48-D130 WeakPolarHBondContact OH-CA 3.35Å; D130-A132 PolarHBondContact O-N 2.86Å; D130-A132 VanDerWaalsContact OD1-CA 3.3Å; D130-A132 WeakPolarHBondContact OD1-CA 3.26Å; D130-A132 WeakPolarHBondContact OD1-CB 3.29Å; D130-A132 PolarHBondContact OD1-N 2.76Å; D130-S133 WeakPolarHBondContact O-CB 3.31Å; D130-S133 PolarHBondContact O-N 3.29Å; D130-S133 PolarHBondContact O-OG 3.08Å; D130-S133 PolarHBondContact OD1-N 2.91Å
131S90Very high92Very high99 Ų9953.5 Ų53.569%0.69230%0.295SS*.THydrogen-bonded Turntrans-73.4-7.3179.161.30000114.4
132A88.3Confident92.3Very high61 Ų6155.3 Ų55.350%0.50431%0.306SS..THydrogen-bonded Turntrans-94.1-15.1175.800000112.4D130D130-A132 PolarHBondContact O-N 2.86Å; D130-A132 VanDerWaalsContact OD1-CA 3.3Å; D130-A132 WeakPolarHBondContact OD1-CA 3.26Å; D130-A132 WeakPolarHBondContact OD1-CB 3.29Å; D130-A132 PolarHBondContact OD1-N 2.76Å
133S93.4Very high92.8Very high0 Ų053.3 Ų53.30%029%0.289CS..SBendtrans-66.7157175.974.60000112.1F45 Y129 D130 L135 G136 D137F45-S133 VanDerWaalsContact O-CB 3.25Å; F45-S133 WeakPolarHBondContact O-CB 3.48Å; Y129-S133 WeakPolarHBondContact CB-OG 3.42Å; D130-S133 WeakPolarHBondContact O-CB 3.31Å; D130-S133 PolarHBondContact O-N 3.29Å; D130-S133 PolarHBondContact O-OG 3.08Å; D130-S133 PolarHBondContact OD1-N 2.91Å; S133-L135 VanDerWaalsContact C-N 3.28Å; S133-L135 PolarHBondContact O-N 3.13Å; S133-G136 PolarHBondContact O-N 2.93Å; S133-G136 WeakPolarHBondContact OG-CA 3.32Å; S133-G136 PolarHBondContact OG-N 3.35Å; S133-D137 WeakPolarHBondContact O-CB 3.07Å; S133-D137 PolarHBondContact O-N 3.18Å; S133-D137 VanDerWaalsContact O-N 3.09Å
134V94.7Very high93.1Very high0 Ų048.7 Ų48.70%027%0.268CS..THydrogen-bonded Turntrans-64.6-35.2177.8175.10000111.7L8 I42 L140 S141 L144L8-V134 HydrophobicContact CD1-CG1 4.27Å; L8-V134 HydrophobicContact CD2-CG1 3.91Å; L8-V134 HydrophobicContact CG-CG1 4.3Å; L8-V134 HydrophobicContact CG-CG2 4.38Å; I42-V134 HydrophobicContact CG2-CB 3.95Å; I42-V134 HydrophobicContact CG2-CG1 3.83Å; I42-V134 HydrophobicContact CG2-CG2 4.21Å; V134-L140 HydrophobicContact CG1-CB 4.25Å; V134-L140 CarbonylContact O-C 3.56Å; V134-S141 WeakPolarHBondContact O-CA 3.47Å; V134-S141 WeakPolarHBondContact O-CB 3.44Å; V134-S141 PolarHBondContact O-N 2.88Å; V134-S141 VanDerWaalsContact O-N 3.08Å; V134-L144 HydrophobicContact CG1-CB 3.99Å; V134-L144 HydrophobicContact CG1-CD2 3.86Å; V134-L144 HydrophobicContact CG1-CG 4.44Å
135L94.6Very high93.5Very high5 Ų548.9 Ų48.93%0.02627%0.269CS..THydrogen-bonded Turntrans-86.2-23-178.7-73.8175.8000113.5F43 V115 V119 L125 Y129 S133 L144F43-L135 HydrophobicContact CD1-CD1 3.74Å; F43-L135 HydrophobicContact CE1-CD1 4.33Å; V115-L135 HydrophobicContact CG1-CD2 3.77Å; V119-L135 HydrophobicContact CG2-CD2 3.97Å; L125-L135 HydrophobicContact CD1-CB 4.31Å; Y129-L135 HydrophobicContact CD1-CB 4.1Å; Y129-L135 HydrophobicContact CD2-CB 4.16Å; Y129-L135 HydrophobicContact CE1-CB 4.11Å; Y129-L135 HydrophobicContact CE1-CD1 3.8Å; Y129-L135 HydrophobicContact CE1-CG 4.45Å; Y129-L135 HydrophobicContact CE2-CB 4.19Å; Y129-L135 HydrophobicContact CE2-CD1 3.72Å; Y129-L135 HydrophobicContact CG-CB 4.14Å; Y129-L135 VanDerWaalsContact OH-CD1 3.29Å; Y129-L135 WeakPolarHBondContact OH-CD1 3.23Å; S133-L135 VanDerWaalsContact C-N 3.28Å; S133-L135 PolarHBondContact O-N 3.13Å; L135-L144 HydrophobicContact CD2-CD2 3.92Å
136G93Very high93.8Very high38 Ų3851.4 Ų51.439%0.39229%0.29SS..THydrogen-bonded Turntrans-87.3-20176.900000114.2S133S133-G136 PolarHBondContact O-N 2.93Å; S133-G136 WeakPolarHBondContact OG-CA 3.32Å; S133-G136 PolarHBondContact OG-N 3.35Å
137D93.1Very high94.1Very high48 Ų4844.6 Ų44.626%0.25726%0.262SS..SBendtrans-93.1126.8173.6-178-71.1000111.3S133 I139 L140 S141S133-D137 WeakPolarHBondContact O-CB 3.07Å; S133-D137 PolarHBondContact O-N 3.18Å; S133-D137 VanDerWaalsContact O-N 3.09Å; D137-I139 VanDerWaalsContact C-N 3.34Å; D137-I139 PolarHBondContact O-N 2.79Å; D137-I139 WeakPolarHBondContact OD1-CA 3.45Å; D137-I139 WeakPolarHBondContact OD1-CB 3.38Å; D137-I139 PolarHBondContact OD1-N 2.81Å; D137-L140 HydrophobicContact CB-CB 3.98Å; D137-L140 HydrophobicContact CB-CD1 3.88Å; D137-L140 HydrophobicContact CB-CG 3.91Å; D137-L140 PolarHBondContact O-N 2.89Å; D137-L140 PolarHBondContact OD1-N 2.85Å; D137-S141 VanDerWaalsContact O-CB 3.32Å; D137-S141 WeakPolarHBondContact O-CB 3.35Å; D137-S141 PolarHBondContact O-N 2.91Å; D137-S141 PolarHBondContact O-OG 3.4Å
138Q92.1Very high94.4Very high155 Ų15538.7 Ų38.772%0.72423%0.23SC*.Hα-helixtrans-63.1-36.4-176.9-171.5179.8200112.9S141 E142Q138-S141 WeakPolarHBondContact CA-OG 3.46Å; Q138-S141 PolarHBondContact O-OG 2.9Å; Q138-E142 VanDerWaalsContact O-CG 3.23Å; Q138-E142 WeakPolarHBondContact O-CG 3.5Å; Q138-E142 PolarHBondContact O-N 2.82Å
139I93.7Very high94.5Very high97 Ų9739.9 Ų39.950%0.49724%0.241SC..Hα-helixtrans-76.4-43.5-179-60174.3000109.8V3 D137 E142 I143V3-I139 HydrophobicContact CB-CG2 4.32Å; V3-I139 HydrophobicContact CG1-CG2 4.24Å; V3-I139 HydrophobicContact CG2-CG2 4.46Å; D137-I139 VanDerWaalsContact C-N 3.34Å; D137-I139 PolarHBondContact O-N 2.79Å; D137-I139 WeakPolarHBondContact OD1-CA 3.45Å; D137-I139 WeakPolarHBondContact OD1-CB 3.38Å; D137-I139 PolarHBondContact OD1-N 2.81Å; I139-E142 PolarHBondContact O-N 2.91Å; I139-I143 HydrophobicContact CG2-CD1 4.08Å; I139-I143 VanDerWaalsContact O-CG1 3.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.29Å; I139-I143 PolarHBondContact O-N 3.17Å; I139-I143 VanDerWaalsContact O-N 3.12Å
140L95.2Very high94.6Very high11 Ų1142.2 Ų42.26%0.05826%0.256CS..Hα-helixtrans-65.3-39.4179.3-63.7-177.1000112.1V3 H5 L8 V134 D137 I143 L144V3-L140 HydrophobicContact CG1-CD2 3.62Å; V3-L140 HydrophobicContact CG1-CG 4.25Å; H5-L140 HydrophobicContact CB-CD1 4.31Å; H5-L140 HydrophobicContact CB-CD2 3.88Å; L8-L140 HydrophobicContact CD1-CB 4.15Å; L8-L140 HydrophobicContact CD1-CD2 3.81Å; V134-L140 HydrophobicContact CG1-CB 4.25Å; V134-L140 CarbonylContact O-C 3.56Å; D137-L140 HydrophobicContact CB-CB 3.98Å; D137-L140 HydrophobicContact CB-CD1 3.88Å; D137-L140 HydrophobicContact CB-CG 3.91Å; D137-L140 PolarHBondContact O-N 2.89Å; D137-L140 PolarHBondContact OD1-N 2.85Å; L140-I143 PolarHBondContact O-N 2.96Å; L140-L144 PolarHBondContact O-N 3.19Å
141S95.4Very high94.7Very high1 Ų140.2 Ų40.21%0.00725%0.245CC..Hα-helixtrans-65.2-42.4177.351.20000112.2V134 D137 Q138 I143 L144 I145V134-S141 WeakPolarHBondContact O-CA 3.47Å; V134-S141 WeakPolarHBondContact O-CB 3.44Å; V134-S141 PolarHBondContact O-N 2.88Å; V134-S141 VanDerWaalsContact O-N 3.08Å; D137-S141 VanDerWaalsContact O-CB 3.32Å; D137-S141 WeakPolarHBondContact O-CB 3.35Å; D137-S141 PolarHBondContact O-N 2.91Å; D137-S141 PolarHBondContact O-OG 3.4Å; Q138-S141 WeakPolarHBondContact CA-OG 3.46Å; Q138-S141 PolarHBondContact O-OG 2.9Å; S141-I143 VanDerWaalsContact C-N 3.32Å; S141-I143 PolarHBondContact O-N 2.89Å; S141-L144 WeakPolarHBondContact O-CB 3.3Å; S141-L144 PolarHBondContact O-N 2.99Å; S141-L144 VanDerWaalsContact O-N 3.13Å; S141-I145 VanDerWaalsContact O-CG1 3.29Å; S141-I145 WeakPolarHBondContact O-CG1 2.98Å; S141-I145 PolarHBondContact O-N 3.28Å
142E95.8Very high95Very high111 Ų11137.3 Ų37.352%0.51922%0.222SC..Hα-helixtrans-60.9-40.8173.4-72.5-66.8164.600111.9Q138 I139 L144 I145 A146Q138-E142 VanDerWaalsContact O-CG 3.23Å; Q138-E142 WeakPolarHBondContact O-CG 3.5Å; Q138-E142 PolarHBondContact O-N 2.82Å; I139-E142 PolarHBondContact O-N 2.91Å; E142-L144 VanDerWaalsContact C-N 3.32Å; E142-L144 PolarHBondContact O-N 3.15Å; E142-I145 PolarHBondContact O-N 3.45Å; E142-A146 WeakPolarHBondContact O-CB 3.34Å; E142-A146 PolarHBondContact O-N 3.42Å
143I95.5Very high95.3Very high39 Ų3940.7 Ų40.720%0.223%0.227CC..Hα-helixtrans-64.3-39174.7-65.7165.4000111.1L8 I139 L140 S141 S147L8-I143 HydrophobicContact CD1-CB 4.09Å; L8-I143 HydrophobicContact CD1-CG2 3.87Å; I139-I143 HydrophobicContact CG2-CD1 4.08Å; I139-I143 VanDerWaalsContact O-CG1 3.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.29Å; I139-I143 PolarHBondContact O-N 3.17Å; I139-I143 VanDerWaalsContact O-N 3.12Å; L140-I143 PolarHBondContact O-N 2.96Å; S141-I143 VanDerWaalsContact C-N 3.32Å; S141-I143 PolarHBondContact O-N 2.89Å; I143-S147 WeakPolarHBondContact O-CB 3.41Å; I143-S147 PolarHBondContact O-N 3.33Å; I143-S147 PolarHBondContact O-OG 3.33Å
144L97.1Very high95.3Very high0 Ų041 Ų410%023%0.229CC..Hα-helixtrans-62.8-52.4175.417661.6000110.6L8 L11 I42 V115 V134 L135 L140 S141 E142 A146 S147 L148L8-L144 HydrophobicContact CD2-CB 4.01Å; L8-L144 HydrophobicContact CD2-CD1 4.08Å; L11-L144 HydrophobicContact CD2-CD1 3.48Å; L11-L144 VanDerWaalsContact CD2-CD1 3.48Å; I42-L144 HydrophobicContact CD1-CD1 4.38Å; I42-L144 HydrophobicContact CG2-CD1 4.29Å; I42-L144 HydrophobicContact CG2-CD2 3.92Å; V115-L144 HydrophobicContact CG1-CD2 4.02Å; V115-L144 HydrophobicContact CG1-CG 4.48Å; V134-L144 HydrophobicContact CG1-CB 3.99Å; V134-L144 HydrophobicContact CG1-CD2 3.86Å; V134-L144 HydrophobicContact CG1-CG 4.44Å; L135-L144 HydrophobicContact CD2-CD2 3.92Å; L140-L144 PolarHBondContact O-N 3.19Å; S141-L144 WeakPolarHBondContact O-CB 3.3Å; S141-L144 PolarHBondContact O-N 2.99Å; S141-L144 VanDerWaalsContact O-N 3.13Å; E142-L144 VanDerWaalsContact C-N 3.32Å; E142-L144 PolarHBondContact O-N 3.15Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.2Å; L144-S147 PolarHBondContact O-N 2.84Å; L144-S147 VanDerWaalsContact O-N 3.1Å; L144-L148 HydrophobicContact CD1-CD1 3.95Å; L144-L148 HydrophobicContact CD1-CD2 4.49Å; L144-L148 HydrophobicContact CD1-CG 4Å; L144-L148 HydrophobicContact CG-CD1 3.9Å; L144-L148 HydrophobicContact CG-CG 4.35Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 3.42Å
145I97.8Very high95.3Very high15 Ų1544 Ų448%0.07725%0.245CC..Hα-helixtrans-56.2-48.4179.8-67.3161.8000110.2H112 V115 E116 S141 E142 S147 L148 A149H112-I145 HydrophobicContact CB-CG2 4.46Å; V115-I145 HydrophobicContact CB-CG1 4.32Å; V115-I145 HydrophobicContact CG1-CD1 4.48Å; V115-I145 HydrophobicContact CG1-CG1 3.81Å; E116-I145 HydrophobicContact CB-CD1 4.08Å; E116-I145 HydrophobicContact CB-CG1 4.43Å; E116-I145 HydrophobicContact CB-CG2 4.37Å; E116-I145 HydrophobicContact CG-CD1 4.46Å; S141-I145 VanDerWaalsContact O-CG1 3.29Å; S141-I145 WeakPolarHBondContact O-CG1 2.98Å; S141-I145 PolarHBondContact O-N 3.28Å; E142-I145 PolarHBondContact O-N 3.45Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 2.98Å; I145-L148 PolarHBondContact O-N 2.76Å; I145-A149 WeakPolarHBondContact O-CB 3.42Å; I145-A149 PolarHBondContact O-N 2.92Å
146A97Very high95.4Very high59 Ų5944.1 Ų44.149%0.48825%0.245SC..Hα-helixtrans-61.3-40.8177.100000112.5E142 L144 A149 V150E142-A146 WeakPolarHBondContact O-CB 3.34Å; E142-A146 PolarHBondContact O-N 3.42Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.2Å; A146-A149 PolarHBondContact O-N 2.98Å; A146-V150 PolarHBondContact O-N 3.21Å
147S96.2Very high95.6Very high11 Ų1147.7 Ų47.78%0.07725%0.25CS..Hα-helixtrans-67.2-37.9178-57.10000112I143 L144 I145 V150I143-S147 WeakPolarHBondContact O-CB 3.41Å; I143-S147 PolarHBondContact O-N 3.33Å; I143-S147 PolarHBondContact O-OG 3.33Å; L144-S147 PolarHBondContact O-N 2.84Å; L144-S147 VanDerWaalsContact O-N 3.1Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 2.98Å; S147-V150 PolarHBondContact O-N 2.91Å
148L97.5Very high95.7Very high2 Ų245.9 Ų45.91%0.0124%0.24CC..Hα-helixtrans-69.2-34.9175.4-68.6174.7000112L39 L111 H112 V115 L144 I145 V150 L151L39-L148 HydrophobicContact CD2-CD2 3.62Å; L111-L148 HydrophobicContact CD2-CD2 3.87Å; L111-L148 HydrophobicContact CG-CD1 4.28Å; L111-L148 HydrophobicContact CG-CD2 4.31Å; H112-L148 HydrophobicContact CB-CB 3.7Å; V115-L148 HydrophobicContact CB-CD1 4.26Å; V115-L148 HydrophobicContact CG2-CD1 3.73Å; L144-L148 HydrophobicContact CD1-CD1 3.95Å; L144-L148 HydrophobicContact CD1-CD2 4.49Å; L144-L148 HydrophobicContact CD1-CG 4Å; L144-L148 HydrophobicContact CG-CD1 3.9Å; L144-L148 HydrophobicContact CG-CG 4.35Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 3.42Å; I145-L148 PolarHBondContact O-N 2.76Å; L148-V150 VanDerWaalsContact C-N 3.25Å; L148-V150 PolarHBondContact O-N 3Å; L148-L151 HydrophobicContact CD2-CD1 4.04Å; L148-L151 VanDerWaalsContact O-CB 3.3Å; L148-L151 WeakPolarHBondContact O-CB 3.5Å; L148-L151 PolarHBondContact O-N 3.2Å; L148-L151 VanDerWaalsContact O-N 3.08Å
149A97.1Very high95.9Very high31 Ų3141 Ų4126%0.25622%0.222SC..Hα-helixtrans-62.8-32.7177.700000112.2H112 I145 A146 L151 N152H112-A149 HydrophobicContact CB-CB 4.3Å; I145-A149 WeakPolarHBondContact O-CB 3.42Å; I145-A149 PolarHBondContact O-N 2.92Å; A146-A149 PolarHBondContact O-N 2.98Å; A149-L151 PolarHBondContact O-N 3.35Å; A149-N152 WeakPolarHBondContact O-CB 3.43Å; A149-N152 PolarHBondContact O-N 3.47Å; A149-N152 VanDerWaalsContact O-N 3.07Å; A149-N152 PolarHBondContact O-ND2 3.22Å
150V95.7Very high96Very high57 Ų5737.4 Ų37.435%0.34520%0.203SC..Hα-helixtrans-61-32.2174.4178.20000111.9V15 Y19 A146 S147 L148 N152 H153V15-V150 HydrophobicContact CG1-CB 3.85Å; V15-V150 HydrophobicContact CG1-CG1 3.62Å; Y19-V150 HydrophobicContact CD2-CG1 4.08Å; A146-V150 PolarHBondContact O-N 3.21Å; S147-V150 PolarHBondContact O-N 2.91Å; L148-V150 VanDerWaalsContact C-N 3.25Å; L148-V150 PolarHBondContact O-N 3Å; V150-N152 PolarHBondContact O-N 3.34Å; V150-N152 VanDerWaalsContact O-N 3.14Å; V150-H153 PolarHBondContact O-CD2 3.19Å; V150-H153 PolarHBondContact O-N 3.08Å; V150-H153 VanDerWaalsContact O-N 3.13Å
151L95.9Very high95.9Very high4 Ų441.3 Ų41.32%0.02122%0.22CC..G310 helixtrans-64.7-16177.6-64.4173.1000113V15 L18 L35 L106 L148 A149 H153 C154 F156V15-L151 HydrophobicContact CB-CD2 4.23Å; V15-L151 HydrophobicContact CG1-CD2 4.04Å; V15-L151 HydrophobicContact CG1-CG 4.4Å; V15-L151 HydrophobicContact CG2-CD1 4.33Å; V15-L151 HydrophobicContact CG2-CD2 3.83Å; V15-L151 HydrophobicContact CG2-CG 4.03Å; L18-L151 HydrophobicContact CD1-CD2 4.04Å; L35-L151 HydrophobicContact CD1-CD1 4.13Å; L35-L151 HydrophobicContact CD2-CD1 3.95Å; L35-L151 HydrophobicContact CD2-CD2 4.35Å; L106-L151 HydrophobicContact CD2-CD1 3.86Å; L148-L151 HydrophobicContact CD2-CD1 4.04Å; L148-L151 VanDerWaalsContact O-CB 3.3Å; L148-L151 WeakPolarHBondContact O-CB 3.5Å; L148-L151 PolarHBondContact O-N 3.2Å; L148-L151 VanDerWaalsContact O-N 3.08Å; A149-L151 PolarHBondContact O-N 3.35Å; L151-H153 PolarHBondContact O-N 3.43Å; L151-H153 VanDerWaalsContact O-N 3.16Å; L151-C154 WeakPolarHBondContact O-CB 3.42Å; L151-C154 PolarHBondContact O-N 3.32Å; L151-F156 HydrophobicContact CB-CE2 4.27Å; L151-F156 HydrophobicContact CD2-CZ 4.24Å
152N95.5Very high95.8Very high38 Ų3841.4 Ų41.420%0.20322%0.22CC..G310 helixtrans-63.9-18.1174.3-61.4-17.6000112.9R109 H112 A149 V150 C154R109-N152 HydrophobicContact CB-CB 4.2Å; R109-N152 VanDerWaalsContact CD-O 3.24Å; R109-N152 WeakPolarHBondContact CD-O 3.44Å; R109-N152 VanDerWaalsContact CZ-O 3.31Å; R109-N152 PolarHBondContact NE-O 2.63Å; R109-N152 PolarHBondContact NH1-O 2.99Å; R109-N152 PolarHBondContact O-OD1 2.66Å; H112-N152 PolarHBondContact CE1-ND2 3.1Å; H112-N152 PolarHBondContact CE1-OD1 3.38Å; H112-N152 PolarHBondContact ND1-ND2 3.45Å; H112-N152 PolarHBondContact ND1-OD1 2.84Å; H112-N152 PolarHBondContact NE2-ND2 2.66Å; A149-N152 WeakPolarHBondContact O-CB 3.43Å; A149-N152 PolarHBondContact O-N 3.47Å; A149-N152 VanDerWaalsContact O-N 3.07Å; A149-N152 PolarHBondContact O-ND2 3.22Å; V150-N152 PolarHBondContact O-N 3.34Å; V150-N152 VanDerWaalsContact O-N 3.14Å; N152-C154 VanDerWaalsContact C-N 3.35Å
153H94.2Very high95.8Very high133 Ų13336.1 Ų36.162%0.61620%0.195SC*.G310 helixtrans-84.6-12.1174.6-61.5-67.3000113.1Y19 V150 L151Y19-H153 HydrophobicContact CD2-CB 3.89Å; Y19-H153 HydrophobicContact CE2-CB 3.47Å; Y19-H153 VanDerWaalsContact CE2-CB 3.47Å; Y19-H153 AromaticContact CE2-CG 3.93Å; V150-H153 PolarHBondContact O-CD2 3.19Å; V150-H153 PolarHBondContact O-N 3.08Å; V150-H153 VanDerWaalsContact O-N 3.13Å; L151-H153 PolarHBondContact O-N 3.43Å; L151-H153 VanDerWaalsContact O-N 3.16Å
154C94.9Very high95.7Very high6 Ų634.3 Ų34.34%0.04119%0.186CC..SBendtrans-86.9145.3177.2-56.30000110I25 L151 N152 F156I25-C154 HydrophobicContact CD1-CB 3.65Å; L151-C154 WeakPolarHBondContact O-CB 3.42Å; L151-C154 PolarHBondContact O-N 3.32Å; N152-C154 VanDerWaalsContact C-N 3.35Å; C154-F156 HydrophobicContact CB-CD2 4.27Å; C154-F156 HydrophobicContact CB-CE2 3.65Å; C154-F156 HydrophobicContact CB-CZ 4.05Å
155N94.6Very high95.7Very high63 Ų6334.3 Ų34.334%0.33719%0.186SC..  trans-101.795.3179.2-158.734.2000112D24 I25 R109D24-N155 WeakPolarHBondContact CA-O 3.38Å; D24-N155 PolarHBondContact OD1-ND2 2.87Å; I25-N155 PolarHBondContact N-O 3.36Å; R109-N155 PolarHBondContact NH2-OD1 2.87Å; R109-N155 VanDerWaalsContact NH2-OD1 3.17Å
156F96.9Very high95.6Very high7 Ų733.6 Ų33.63%0.03118%0.183CC..BIsolated β-bridgetrans-84.1115.4177.4-63.7-84.9000111.1L18 I25 L32 L35 L106 Q107 L151 C154 L158L18-F156 HydrophobicContact CD1-CE1 4.45Å; L18-F156 HydrophobicContact CD1-CZ 4.31Å; I25-F156 HydrophobicContact CB-CD1 3.89Å; I25-F156 HydrophobicContact CB-CE1 4.22Å; I25-F156 HydrophobicContact CD1-CD1 4.1Å; I25-F156 HydrophobicContact CD1-CE1 3.77Å; I25-F156 HydrophobicContact CD1-CZ 3.99Å; I25-F156 HydrophobicContact CG2-CD1 3.75Å; I25-F156 HydrophobicContact CG2-CE1 3.87Å; I25-F156 WeakPolarHBondContact O-CA 3.15Å; L32-F156 HydrophobicContact CD1-CD1 4.02Å; L32-F156 HydrophobicContact CD1-CE1 3.83Å; L35-F156 HydrophobicContact CD2-CE1 4.3Å; L35-F156 HydrophobicContact CD2-CZ 4.17Å; L106-F156 HydrophobicContact CB-CD1 4.44Å; L106-F156 HydrophobicContact CB-CD2 4.16Å; L106-F156 HydrophobicContact CB-CE2 4.37Å; L106-F156 HydrophobicContact CB-CG 4.2Å; L106-F156 HydrophobicContact CD2-CE2 4.16Å; L106-F156 HydrophobicContact CD2-CZ 4.09Å; Q107-F156 HydrophobicContact CB-CB 4.47Å; L151-F156 HydrophobicContact CB-CE2 4.27Å; L151-F156 HydrophobicContact CD2-CZ 4.24Å; C154-F156 HydrophobicContact CB-CD2 4.27Å; C154-F156 HydrophobicContact CB-CE2 3.65Å; C154-F156 HydrophobicContact CB-CZ 4.05Å; F156-L158 HydrophobicContact CB-CD2 4.42Å; F156-L158 HydrophobicContact CB-CG 4.14Å; F156-L158 HydrophobicContact CD1-CD2 4.46Å
157K95.6Very high95.6Very high113 Ų11332.3 Ų32.349%0.49117%0.168SC..  trans-109.472.7172.1-69.5-167.6-179.4169.80109.8D24 I25D24-K157 HydrophobicContact CB-CB 4.42Å; D24-K157 HydrophobicContact CB-CD 3.85Å; D24-K157 HydrophobicContact CB-CG 4.08Å; D24-K157 VanDerWaalsContact CG-CD 3.48Å; D24-K157 WeakPolarHBondContact OD1-CE 3.43Å; D24-K157 IonicContact OD1-NZ 4Å; D24-K157 VanDerWaalsContact OD2-CD 3.31Å; D24-K157 WeakPolarHBondContact OD2-CD 3.48Å; D24-K157 WeakPolarHBondContact OD2-CE 3.43Å; D24-K157 IonicContact OD2-NZ 3.08Å; D24-K157 PolarHBondContact OD2-NZ 2.97Å; I25-K157 PolarHBondContact O-N 3.41Å
158L96.3Very high95.4Very high10 Ų1036.7 Ų36.75%0.05219%0.187CC..  trans-90.3145.8-176.1-47.2-176.5000111.3L32 R103 Q107 F156 L160L32-L158 HydrophobicContact CD1-CD2 4.44Å; L32-L158 HydrophobicContact CD2-CD2 3.42Å; L32-L158 VanDerWaalsContact CD2-CD2 3.42Å; R103-L158 HydrophobicContact CB-CD1 4Å; R103-L158 HydrophobicContact CG-CD1 4.28Å; Q107-L158 VanDerWaalsContact OE1-N 3.15Å; Q107-L158 PolarHBondContact OE1-O 3.46Å; F156-L158 HydrophobicContact CB-CD2 4.42Å; F156-L158 HydrophobicContact CB-CG 4.14Å; F156-L158 HydrophobicContact CD1-CD2 4.46Å; L158-L160 HydrophobicContact CB-CD2 4.12Å; L158-L160 PolarHBondContact O-N 2.67Å; L158-L160 VanDerWaalsContact O-N 3.08Å
159T95.2Very high95.3Very high54 Ų5439.6 Ų39.633%0.33120%0.2SC..  trans-83.983.5173-49.20000108.6D27 R103 K161 N162 Y175D27-T159 VanDerWaalsContact OD2-CB 3.27Å; D27-T159 WeakPolarHBondContact OD2-CB 3.43Å; D27-T159 PolarHBondContact OD2-N 2.74Å; D27-T159 PolarHBondContact OD2-OG1 3.43Å; R103-T159 PolarHBondContact NH2-O 2.8Å; T159-K161 HydrophobicContact CG2-CB 4.47Å; T159-K161 PolarHBondContact O-N 2.85Å; T159-N162 HydrophobicContact CG2-CB 4.01Å; T159-N162 WeakPolarHBondContact O-CB 3.45Å; T159-N162 PolarHBondContact O-N 3.11Å; T159-Y175 HydrophobicContact CG2-CD1 3.59Å; T159-Y175 HydrophobicContact CG2-CE1 4.2Å; T159-Y175 HydrophobicContact CG2-CG 4.12Å
160L95.7Very high95.3Very high21 Ų2139 Ų3911%0.1119%0.192CC..THydrogen-bonded Turntrans-63.2-23.7-178.2-57.8-177.3000113.2F84 R103 C104 L158 N162F84-L160 HydrophobicContact CE1-CB 4.19Å; F84-L160 HydrophobicContact CE1-CD1 4.25Å; F84-L160 HydrophobicContact CZ-CB 3.79Å; F84-L160 HydrophobicContact CZ-CD1 4.29Å; R103-L160 HydrophobicContact CB-CD2 3.91Å; C104-L160 HydrophobicContact CB-CD1 4.22Å; C104-L160 HydrophobicContact CB-CD2 4.48Å; L158-L160 HydrophobicContact CB-CD2 4.12Å; L158-L160 PolarHBondContact O-N 2.67Å; L158-L160 VanDerWaalsContact O-N 3.08Å; L160-N162 PolarHBondContact O-N 3.4Å
161K93.2Very high95.1Very high92 Ų9240.4 Ų40.440%0.420%0.197SC..THydrogen-bonded Turntrans-63-31.6172.5-71.1-177.3164.8-152.90112.2T159 S163 Y175 M177 E222 K227T159-K161 HydrophobicContact CG2-CB 4.47Å; T159-K161 PolarHBondContact O-N 2.85Å; K161-S163 PolarHBondContact O-N 3.32Å; K161-Y175 HydrophobicContact CB-CE1 4.1Å; K161-M177 HydrophobicContact CD-SD 4.3Å; K161-E222 VanDerWaalsContact CD-OE2 3.26Å; K161-E222 WeakPolarHBondContact CD-OE2 3.32Å; K161-E222 VanDerWaalsContact CE-OE2 3.31Å; K161-E222 WeakPolarHBondContact CE-OE2 3.31Å; K161-E222 IonicContact NZ-OE1 3.13Å; K161-E222 PolarHBondContact NZ-OE1 3.46Å; K161-E222 IonicContact NZ-OE2 3.39Å; K161-E222 PolarHBondContact NZ-OE2 3.01Å; K161-K227 PolarHBondContact O-NZ 3.29Å
162N94.9Very high95.1Very high3 Ų341.2 Ų41.22%0.01620%0.201CC..  trans-77.489177.3-171.68.2000109.4T159 L160 L172 P173 Y175T159-N162 HydrophobicContact CG2-CB 4.01Å; T159-N162 WeakPolarHBondContact O-CB 3.45Å; T159-N162 PolarHBondContact O-N 3.11Å; L160-N162 PolarHBondContact O-N 3.4Å; N162-L172 HydrophobicContact CB-CD1 4.43Å; N162-L172 WeakPolarHBondContact ND2-CB 3.34Å; N162-L172 WeakPolarHBondContact O-CD1 3.5Å; N162-P173 PolarHBondContact ND2-O 3.08Å; N162-Y175 HydrophobicContact CB-CD2 3.83Å; N162-Y175 HydrophobicContact CB-CG 3.85Å
163S95.6Very high95Very high0 Ų039.7 Ų39.70%019%0.193CC..  trans-131.3-18.6-170.179.50000114.6C88 D90 K161 F165 L166C88-S163 PolarHBondContact SG-OG 3.25Å; D90-S163 PolarHBondContact OD2-OG 2.88Å; K161-S163 PolarHBondContact O-N 3.32Å; S163-F165 PolarHBondContact O-N 3.34Å; S163-L166 VanDerWaalsContact O-CB 3.29Å; S163-L166 WeakPolarHBondContact O-CB 3.46Å; S163-L166 WeakPolarHBondContact O-CG 3.36Å; S163-L166 PolarHBondContact O-N 3.11Å
164A93.9Very high95Very high1 Ų135.7 Ų35.71%0.00818%0.176CC..THydrogen-bonded Turntrans-59.8-22.7-16900000115.1D90 Y196 M253D90-A164 HydrophobicContact CB-CB 4.02Å; A164-Y196 HydrophobicContact CB-CE1 4.01Å; A164-Y196 PolarHBondContact O-OH 3.15Å; A164-M253 HydrophobicContact CB-CE 3.94Å; A164-M253 HydrophobicContact CB-SD 4.06Å
165F95.7Very high95Very high0 Ų036.6 Ų36.60%018%0.179CC..THydrogen-bonded Turntrans-100.72.1178-71.9-82.6000114.4S163 D167 Q168 Q169 L172 P173 Y196 M253 Y263 P265 M266S163-F165 PolarHBondContact O-N 3.34Å; F165-D167 PolarHBondContact O-N 2.93Å; F165-Q168 PolarHBondContact O-N 3.29Å; F165-Q169 PolarHBondContact O-N 2.79Å; F165-L172 HydrophobicContact CB-CD2 4.15Å; F165-P173 HydrophobicContact CD2-CG 4Å; F165-P173 HydrophobicContact CE2-CG 4.36Å; F165-Y196 HydrophobicContact CE2-CE1 4.23Å; F165-Y196 HydrophobicContact CZ-CE1 4.15Å; F165-M253 HydrophobicContact CD2-CE 4.39Å; F165-M253 HydrophobicContact CD2-SD 3.75Å; F165-M253 HydrophobicContact CE2-CE 3.85Å; F165-M253 HydrophobicContact CE2-SD 3.71Å; F165-Y263 HydrophobicContact CB-CE1 4.3Å; F165-Y263 WeakPolarHBondContact CB-OH 3.37Å; F165-Y263 AromaticContact CD1-CE1 3.98Å; F165-Y263 HydrophobicContact CD1-CE1 3.98Å; F165-Y263 HydrophobicContact CD2-CE1 4.02Å; F165-Y263 HydrophobicContact CE1-CE1 4.31Å; F165-Y263 HydrophobicContact CE2-CE1 4.36Å; F165-Y263 AromaticContact CG-CE1 3.82Å; F165-Y263 HydrophobicContact CG-CE1 3.82Å; F165-Y263 HydrophobicContact CZ-CE1 4.5Å; F165-P265 HydrophobicContact CD1-CB 3.58Å; F165-P265 HydrophobicContact CD1-CG 4.37Å; F165-P265 HydrophobicContact CE1-CB 3.64Å; F165-M266 HydrophobicContact CD2-CE 4.5Å; F165-M266 HydrophobicContact CE1-CG 4.36Å; F165-M266 HydrophobicContact CE2-CE 3.55Å; F165-M266 HydrophobicContact CE2-CG 4.25Å; F165-M266 HydrophobicContact CZ-CE 3.94Å; F165-M266 HydrophobicContact CZ-CG 3.68Å
166L96.9Very high94.9Very high0 Ų036 Ų360%017%0.174CC..THydrogen-bonded Turntrans-64.6-25.7179.1-71175.4000112.8R99 L100 S163 Q168 W170 L172R99-L166 HydrophobicContact CB-CB 4.29Å; R99-L166 HydrophobicContact CB-CD2 4.19Å; R99-L166 WeakPolarHBondContact CD-O 3.34Å; R99-L166 PolarHBondContact NH1-O 2.79Å; L100-L166 HydrophobicContact CB-CD1 3.74Å; L100-L166 HydrophobicContact CD1-CD1 3.82Å; L100-L166 HydrophobicContact CG-CD1 4.34Å; S163-L166 VanDerWaalsContact O-CB 3.29Å; S163-L166 WeakPolarHBondContact O-CB 3.46Å; S163-L166 WeakPolarHBondContact O-CG 3.36Å; S163-L166 PolarHBondContact O-N 3.11Å; L166-Q168 PolarHBondContact O-N 2.89Å; L166-W170 HydrophobicContact CD2-CE3 4.43Å; L166-L172 HydrophobicContact CD2-CD1 4.15Å; L166-L172 HydrophobicContact CD2-CD2 3.85Å; L166-L172 HydrophobicContact CD2-CG 4.25Å; L166-L172 HydrophobicContact CG-CD2 4.04Å
167D95.2Very high94.8Very high33 Ų3339.5 Ų39.518%0.17619%0.191CC..THydrogen-bonded Turntrans-59.3-27.6171.2-73.6-34.1000112.6Q92 T93 G96 F165Q92-D167 PolarHBondContact N-OD1 2.91Å; Q92-D167 PolarHBondContact N-OD2 3.1Å; T93-D167 WeakPolarHBondContact CA-OD1 3.31Å; T93-D167 VanDerWaalsContact CB-OD1 3.3Å; T93-D167 WeakPolarHBondContact CB-OD1 3.29Å; T93-D167 HydrophobicContact CG2-CB 4.13Å; T93-D167 PolarHBondContact N-OD1 2.8Å; T93-D167 PolarHBondContact OG1-OD1 3.03Å; G96-D167 WeakPolarHBondContact CA-OD1 3.4Å; F165-D167 PolarHBondContact O-N 2.93Å
168Q94Very high94.6Very high103 Ų10335.7 Ų35.748%0.48117%0.174SC..THydrogen-bonded Turntrans-100.2-50.2-173.9-63164.340.900110.9R99 F165 L166R99-Q168 PolarHBondContact NH1-O 3.37Å; F165-Q168 PolarHBondContact O-N 3.29Å; L166-Q168 PolarHBondContact O-N 2.89Å
169Q94.7Very high94.4Very high62 Ų6240.6 Ų40.629%0.2920%0.196SC..  trans-158.8166.9-174.456.3173.912.600113.8F165 N171 Y263 P265F165-Q169 PolarHBondContact O-N 2.79Å; Q169-N171 PolarHBondContact NE2-O 2.77Å; Q169-Y263 VanDerWaalsContact NE2-CZ 3.31Å; Q169-Y263 PolarHBondContact NE2-OH 3.09Å; Q169-P265 HydrophobicContact CG-CG 4.26Å; Q169-P265 VanDerWaalsContact NE2-CD 3.31Å
170W95.8Very high94.1Very high20 Ų2038.2 Ų38.28%0.07618%0.181CC..SBendtrans-75.9-34.8177.5-77.6111.6000114.7L33 C36 V37 E40 R99 I102 R103 L166 L172L33-W170 HydrophobicContact CD1-CB 3.47Å; L33-W170 VanDerWaalsContact CD1-CB 3.47Å; C36-W170 HydrophobicContact CB-CD2 3.51Å; C36-W170 HydrophobicContact CB-CE3 3.49Å; C36-W170 VanDerWaalsContact CB-CE3 3.49Å; C36-W170 HydrophobicContact CB-CG 4.12Å; C36-W170 HydrophobicContact CB-CH2 3.77Å; C36-W170 HydrophobicContact CB-CZ2 3.82Å; C36-W170 HydrophobicContact CB-CZ3 3.63Å; C36-W170 WeakPolarHBondContact O-CZ2 3.25Å; V37-W170 HydrophobicContact CG2-CG 4.35Å; E40-W170 HydrophobicContact CB-CZ2 4.19Å; E40-W170 PolarHBondContact OE1-NE1 3.22Å; R99-W170 HydrophobicContact CB-CE3 4.25Å; R99-W170 HydrophobicContact CB-CH2 3.71Å; R99-W170 HydrophobicContact CB-CZ2 4.07Å; R99-W170 HydrophobicContact CB-CZ3 3.79Å; R99-W170 HydrophobicContact CG-CD2 4.2Å; R99-W170 HydrophobicContact CG-CE3 4.34Å; R99-W170 HydrophobicContact CG-CH2 3.76Å; R99-W170 HydrophobicContact CG-CZ2 3.56Å; R99-W170 HydrophobicContact CG-CZ3 4.13Å; I102-W170 HydrophobicContact CB-CH2 3.91Å; I102-W170 HydrophobicContact CD1-CH2 3.81Å; I102-W170 HydrophobicContact CD1-CZ2 3.96Å; I102-W170 HydrophobicContact CG1-CH2 4.47Å; I102-W170 HydrophobicContact CG2-CH2 3.86Å; R103-W170 HydrophobicContact CG-CZ3 3.93Å; L166-W170 HydrophobicContact CD2-CE3 4.43Å; W170-L172 PolarHBondContact O-N 3.41Å
171N93.1Very high93.7Very high86 Ų8640.6 Ų40.646%0.4620%0.197SC..  trans-71.4126177.4-177.810.6000108.8Q169 Y263Q169-N171 PolarHBondContact NE2-O 2.77Å; N171-Y263 WeakPolarHBondContact O-CE2 3.33Å; N171-Y263 PolarHBondContact O-OH 2.86Å
172L94.7Very high93.4Very high21 Ų2139.9 Ų39.911%0.1120%0.201CC..  trans-111.5153-174.9-67.5171.7000111.1N162 F165 L166 W170N162-L172 HydrophobicContact CB-CD1 4.43Å; N162-L172 WeakPolarHBondContact ND2-CB 3.34Å; N162-L172 WeakPolarHBondContact O-CD1 3.5Å; F165-L172 HydrophobicContact CB-CD2 4.15Å; L166-L172 HydrophobicContact CD2-CD1 4.15Å; L166-L172 HydrophobicContact CD2-CD2 3.85Å; L166-L172 HydrophobicContact CD2-CG 4.25Å; L166-L172 HydrophobicContact CG-CD2 4.04Å; W170-L172 PolarHBondContact O-N 3.41Å
173P94.7Very high93Very high5 Ų540.6 Ų40.63%0.03221%0.206CC..  trans-66.9160.2174.530.7-34.3000110.5N162 F165 Y175 M253 Y263 M266N162-P173 PolarHBondContact ND2-O 3.08Å; F165-P173 HydrophobicContact CD2-CG 4Å; F165-P173 HydrophobicContact CE2-CG 4.36Å; P173-Y175 PolarHBondContact O-N 3.16Å; P173-M253 HydrophobicContact CB-CB 4.37Å; P173-M253 HydrophobicContact CG-CB 3.88Å; P173-M253 HydrophobicContact CG-CG 3.88Å; P173-M253 HydrophobicContact CG-SD 3.83Å; P173-Y263 HydrophobicContact CB-CD1 3.79Å; P173-Y263 HydrophobicContact CB-CD2 4.26Å; P173-Y263 HydrophobicContact CB-CE1 4.08Å; P173-Y263 HydrophobicContact CB-CG 3.89Å; P173-Y263 HydrophobicContact CG-CD1 4.23Å; P173-Y263 HydrophobicContact CG-CE1 4.07Å; P173-M266 HydrophobicContact CB-CE 3.95Å; P173-M266 HydrophobicContact CG-CE 3.96Å
174L93Very high92.7Very high50 Ų5045.9 Ų45.926%0.26223%0.231SC..  trans-60.2129.2170.6-174.876.4000109.1M253 K254L174-M253 WeakPolarHBondContact O-CA 3.44Å; L174-K254 HydrophobicContact CB-CB 4.19Å; L174-K254 HydrophobicContact CB-CG 4.45Å; L174-K254 HydrophobicContact CD2-CB 4.43Å; L174-K254 HydrophobicContact CD2-CG 4.13Å; L174-K254 HydrophobicContact CG-CG 4.47Å; L174-K254 PolarHBondContact O-N 3.05Å
175Y95.2Very high92.5Very high24 Ų2454 Ų549%0.09426%0.262CS..EExtended strand (participates in β ladder)trans-115.5130.6-178.5-170-89.5000110.1T159 K161 N162 P173 M177 D221 G251 V252 M253T159-Y175 HydrophobicContact CG2-CD1 3.59Å; T159-Y175 HydrophobicContact CG2-CE1 4.2Å; T159-Y175 HydrophobicContact CG2-CG 4.12Å; K161-Y175 HydrophobicContact CB-CE1 4.1Å; N162-Y175 HydrophobicContact CB-CD2 3.83Å; N162-Y175 HydrophobicContact CB-CG 3.85Å; P173-Y175 PolarHBondContact O-N 3.16Å; Y175-M177 HydrophobicContact CD1-CG 4.45Å; Y175-M177 HydrophobicContact CE1-CG 3.76Å; Y175-M177 HydrophobicContact CE1-SD 3.45Å; Y175-M177 WeakPolarHBondContact CE1-SD 3.47Å; Y175-M177 PolarHBondContact OH-SD 2.88Å; Y175-M177 VanDerWaalsContact OH-SD 3.39Å; Y175-D221 HydrophobicContact CE2-CB 3.84Å; Y175-D221 WeakPolarHBondContact CE2-OD2 3.32Å; Y175-G251 WeakPolarHBondContact OH-CA 3.17Å; Y175-V252 WeakPolarHBondContact CA-O 3.25Å; Y175-M253 HydrophobicContact CD2-CG 3.65Å; Y175-M253 HydrophobicContact CE2-CG 4.1Å
176K93Very high92.3Very high52 Ų5255 Ų5523%0.22627%0.267CS..EExtended strand (participates in β ladder)trans-129.8132.9178.2-66.1-169.6172.7-169.20109.9Y178 V252 D365K176-Y178 HydrophobicContact CB-CD2 4.47Å; K176-Y178 HydrophobicContact CB-CE1 4.18Å; K176-Y178 HydrophobicContact CB-CE2 3.71Å; K176-Y178 HydrophobicContact CD-CE1 4.34Å; K176-Y178 WeakPolarHBondContact CD-OH 2.98Å; K176-V252 PolarHBondContact N-O 3.01Å; K176-V252 PolarHBondContact O-N 2.97Å; K176-D365 PolarHBondContact NZ-O 2.82Å
177M93.6Very high92.1Very high80 Ų8055.1 Ų55.139%0.39427%0.268SS..EExtended strand (participates in β ladder)trans-97.5132.1168.1-69-62.5-56.300108.1K161 Y175 I250 G251K161-M177 HydrophobicContact CD-SD 4.3Å; Y175-M177 HydrophobicContact CD1-CG 4.45Å; Y175-M177 HydrophobicContact CE1-CG 3.76Å; Y175-M177 HydrophobicContact CE1-SD 3.45Å; Y175-M177 WeakPolarHBondContact CE1-SD 3.47Å; Y175-M177 PolarHBondContact OH-SD 2.88Å; Y175-M177 VanDerWaalsContact OH-SD 3.39Å; M177-I250 WeakPolarHBondContact CA-O 3.35Å; M177-G251 WeakPolarHBondContact SD-CA 3.47Å
178Y92.5Very high92.1Very high33 Ų3355.2 Ų55.213%0.12927%0.269CS..EExtended strand (participates in β ladder)trans-122.1142.5175.4-58.6-65.8000110.3K176 R213 I214 Y249 I250 V252K176-Y178 HydrophobicContact CB-CD2 4.47Å; K176-Y178 HydrophobicContact CB-CE1 4.18Å; K176-Y178 HydrophobicContact CB-CE2 3.71Å; K176-Y178 HydrophobicContact CD-CE1 4.34Å; K176-Y178 WeakPolarHBondContact CD-OH 2.98Å; Y178-R213 HydrophobicContact CD1-CB 4Å; Y178-R213 HydrophobicContact CD1-CG 4.01Å; Y178-R213 HydrophobicContact CD2-CB 4.31Å; Y178-R213 HydrophobicContact CE1-CB 3.67Å; Y178-R213 HydrophobicContact CE1-CG 3.7Å; Y178-R213 HydrophobicContact CE2-CB 4.02Å; Y178-R213 WeakPolarHBondContact CE2-O 3.32Å; Y178-R213 HydrophobicContact CG-CB 4.28Å; Y178-R213 PolarHBondContact OH-O 3.01Å; Y178-I214 HydrophobicContact CD2-CG1 4.24Å; Y178-I214 HydrophobicContact CE2-CG1 4.39Å; Y178-Y249 WeakPolarHBondContact O-CA 3.49Å; Y178-I250 HydrophobicContact CD2-CG2 4.4Å; Y178-I250 PolarHBondContact N-O 2.9Å; Y178-I250 PolarHBondContact O-N 2.93Å; Y178-V252 HydrophobicContact CD2-CG2 4.01Å; Y178-V252 HydrophobicContact CE2-CB 4.27Å; Y178-V252 HydrophobicContact CE2-CG2 4.19Å
179E92.5Very high92.2Very high112 Ų11254 Ų5452%0.52326%0.263SS..EExtended strand (participates in β ladder)trans-109.7116.3163.2179.4171.8-171.100106.7P247 V248 Y249E179-P247 HydrophobicContact CG-CB 4.29Å; E179-V248 CarbonylContact C-O 3.49Å; E179-V248 WeakPolarHBondContact CA-O 3.45Å; E179-Y249 HydrophobicContact CB-CD1 4.06Å; E179-Y249 HydrophobicContact CB-CE1 3.93Å; E179-Y249 HydrophobicContact CG-CD1 4.05Å; E179-Y249 HydrophobicContact CG-CE1 3.52Å; E179-Y249 WeakPolarHBondContact OE1-CE1 3.35Å; E179-Y249 PolarHBondContact OE1-OH 2.96Å
180L88.7Confident92.3Very high4 Ų452.6 Ų52.62%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-103.6155177.6-43.4173.7000109.8I186 V207 I214 P247 V248 I250L180-I186 HydrophobicContact CD1-CG2 3.87Å; L180-V207 HydrophobicContact CB-CG1 3.61Å; L180-V207 HydrophobicContact CD1-CG1 4.22Å; L180-V207 HydrophobicContact CG-CG1 4.42Å; L180-I214 HydrophobicContact CD1-CD1 4.2Å; L180-P247 CarbonylContact O-C 3.58Å; L180-P247 WeakPolarHBondContact O-CA 3.44Å; L180-V248 HydrophobicContact CB-CB 4.11Å; L180-V248 HydrophobicContact CD1-CB 4.45Å; L180-V248 HydrophobicContact CD1-CG1 4.47Å; L180-V248 PolarHBondContact N-O 2.87Å; L180-V248 PolarHBondContact O-N 2.99Å; L180-I250 HydrophobicContact CD1-CG2 4.26Å; L180-I250 HydrophobicContact CG-CG2 4.41Å
181V86.7Confident92.3Very high72 Ų7258.3 Ų58.344%0.43628%0.28SS..PPolyproline II helixtrans-62153.6-178.2-63.60000112.2C183 V207V181-C183 PolarHBondContact O-N 2.94Å; V181-V207 HydrophobicContact CG2-CB 4.5Å; V181-V207 HydrophobicContact CG2-CG1 3.79Å; V181-V207 HydrophobicContact CG2-CG2 3.88Å
182P87.6Confident92.5Very high76 Ų7656.3 Ų56.349%0.49427%0.267SS..PPolyproline II helixtrans-51.2123.8171.2-28.435.6000112.6Q246 P247P182-Q246 WeakPolarHBondContact CA-O 3.47Å; P182-P247 HydrophobicContact CG-CG 4.03Å
183C86.6Confident92.5Very high18 Ų1856.3 Ų56.312%0.12227%0.269CS..  trans-146.1161.6-178.959.50000112.4V181 V207 R245V181-C183 PolarHBondContact O-N 2.94Å; C183-V207 HydrophobicContact CB-CB 4.46Å; C183-V207 HydrophobicContact CB-CG2 3.8Å; C183-R245 PolarHBondContact O-N 3.44Å
184E88.1Confident92.4Very high112 Ų11262.8 Ų62.852%0.52330%0.297SS..SBendtrans-88.5-32.6172.6-176.2162.4-173.800112R245E184-R245 IonicContact OE2-NH2 3.94Å
185R90.1Very high92.4Very high172 Ų17261.3 Ų61.365%0.64929%0.293SS*.  trans-136.4128174.2-65.8-177.464.6-156.7-12108.9G187 E203R185-G187 VanDerWaalsContact C-N 3.35Å; R185-E203 IonicContact CZ-OE1 3.96Å; R185-E203 IonicContact NH2-OE1 3.86Å; R185-E203 PolarHBondContact NH2-OE1 2.73Å; R185-E203 IonicContact NH2-OE2 3.99Å
186I91.6Very high92.5Very high19 Ų1961 Ų6110%0.09729%0.292CS..  trans-74.8-28.9179-52.8169.3000111.3L180 L188 S206 V207 A208 L240 V248L180-I186 HydrophobicContact CD1-CG2 3.87Å; I186-L188 HydrophobicContact CG2-CD1 3.99Å; I186-L188 HydrophobicContact CG2-CG 4.07Å; I186-S206 WeakPolarHBondContact O-CB 3.49Å; I186-S206 PolarHBondContact O-OG 2.98Å; I186-V207 PolarHBondContact O-N 2.76Å; I186-A208 HydrophobicContact CG2-CB 3.73Å; I186-A208 VanDerWaalsContact O-CB 3.24Å; I186-A208 WeakPolarHBondContact O-CB 3.49Å; I186-A208 PolarHBondContact O-N 3.06Å; I186-L240 HydrophobicContact CD1-CD2 3.27Å; I186-L240 HydrophobicContact CG1-CD2 4.37Å; I186-V248 HydrophobicContact CD1-CG1 3.67Å; I186-V248 HydrophobicContact CD1-CG2 4.19Å; I186-V248 HydrophobicContact CG1-CG1 4.39Å; I186-V248 HydrophobicContact CG1-CG2 4.13Å
187G92.5Very high92.7Very high4 Ų458.5 Ų58.54%0.04128%0.281CS..  trans85.731.6-177.500000114.5R185 E203R185-G187 VanDerWaalsContact C-N 3.35Å; G187-E203 WeakPolarHBondContact CA-OE2 3.49Å; G187-E203 PolarHBondContact O-N 2.8Å
188L95Very high92.9Very high35 Ų3554.7 Ų54.718%0.18326%0.263CS..EExtended strand (participates in β ladder)trans-104.3130174.7-67.3174.4000111.5I186 V190 V199 V202 A208 I214 I220 I250I186-L188 HydrophobicContact CG2-CD1 3.99Å; I186-L188 HydrophobicContact CG2-CG 4.07Å; L188-V190 HydrophobicContact CB-CG1 4.18Å; L188-V199 HydrophobicContact CD2-CG1 3.94Å; L188-V199 HydrophobicContact CD2-CG2 4.36Å; L188-V202 HydrophobicContact CD2-CG1 4.38Å; L188-V202 HydrophobicContact CD2-CG2 3.91Å; L188-A208 HydrophobicContact CD1-CB 4.31Å; L188-A208 HydrophobicContact CD2-CB 3.45Å; L188-A208 VanDerWaalsContact CD2-CB 3.45Å; L188-A208 HydrophobicContact CG-CB 3.61Å; L188-I214 HydrophobicContact CD1-CD1 4.12Å; L188-I214 HydrophobicContact CD2-CB 4.43Å; L188-I214 HydrophobicContact CD2-CG2 3.8Å; L188-I220 HydrophobicContact CD1-CD1 4.01Å; L188-I250 HydrophobicContact CD1-CD1 4.16Å
189H95.6Very high93.1Very high78 Ų7853.1 Ų53.136%0.36126%0.256SS..EExtended strand (participates in β ladder)trans-98.5117.9163.2-60.4-86.2000109.3M200 K201 E203H189-M200 PolarHBondContact O-N 3.02Å; H189-K201 HydrophobicContact CB-CB 4.09Å; H189-K201 PolarHBondContact N-O 2.9Å; H189-K201 PolarHBondContact O-N 2.94Å; H189-E203 IonicContact CE1-OE1 3.38Å; H189-E203 WeakPolarHBondContact NE2-CG 3.24Å; H189-E203 IonicContact NE2-OE1 2.76Å; H189-E203 PolarHBondContact NE2-OE1 2.88Å
190V97.1Very high93.3Very high31 Ų3149.8 Ų49.819%0.18824%0.241CC..EExtended strand (participates in β ladder)trans-117.6153.6-174.7-600000113.1L188 F192 V197 I198 I220 F236 F237L188-V190 HydrophobicContact CB-CG1 4.18Å; V190-F192 HydrophobicContact CG2-CE2 4.09Å; V190-V197 HydrophobicContact CB-CG1 3.77Å; V190-V197 HydrophobicContact CG1-CG1 4.04Å; V190-V197 HydrophobicContact CG2-CG1 4.07Å; V190-I198 CarbonylContact C-O 3.43Å; V190-I198 VanDerWaalsContact CA-O 3.23Å; V190-I198 WeakPolarHBondContact CA-O 3.45Å; V190-I220 HydrophobicContact CG1-CD1 3.69Å; V190-F236 HydrophobicContact CG2-CE1 3.98Å; V190-F237 HydrophobicContact CG2-CZ 4.16Å
191R96.9Very high93.6Very high141 Ų14154.9 Ų54.953%0.53226%0.264SS..EExtended strand (participates in β ladder)trans-123.5145.1170.7-100.8-106.6-170.5136.6-3.3109.7I198 M200 L273R191-I198 PolarHBondContact N-O 2.98Å; R191-I198 PolarHBondContact O-N 3.35Å; R191-M200 HydrophobicContact CB-CG 3.67Å; R191-M200 HydrophobicContact CB-SD 3.81Å; R191-M200 HydrophobicContact CG-CG 3.7Å; R191-M200 HydrophobicContact CG-SD 4Å; R191-L273 HydrophobicContact CB-CD1 4.47Å; R191-L273 HydrophobicContact CB-CD2 4.41Å; R191-L273 HydrophobicContact CG-CD2 4.45Å
192F96.2Very high93.9Very high43 Ų4352.1 Ų52.119%0.18925%0.247CC..EExtended strand (participates in β ladder)trans-101.1123.8173.7-67-113.1000108.3V190 Y196 V197 K233 F236 F237V190-F192 HydrophobicContact CG2-CE2 4.09Å; F192-Y196 CarbonylContact C-O 3.58Å; F192-Y196 VanDerWaalsContact CA-O 3.25Å; F192-Y196 WeakPolarHBondContact CA-O 3.28Å; F192-V197 HydrophobicContact CD1-CG2 3.8Å; F192-V197 HydrophobicContact CE1-CG2 3.46Å; F192-V197 VanDerWaalsContact CE1-CG2 3.46Å; F192-V197 HydrophobicContact CE2-CG1 4.47Å; F192-V197 HydrophobicContact CG-CG2 4.49Å; F192-V197 HydrophobicContact CZ-CG1 4.36Å; F192-V197 HydrophobicContact CZ-CG2 3.87Å; F192-K233 HydrophobicContact CB-CG 4.41Å; F192-K233 HydrophobicContact CD1-CG 3.92Å; F192-K233 HydrophobicContact CD2-CD 4.12Å; F192-K233 HydrophobicContact CD2-CG 3.65Å; F192-K233 HydrophobicContact CE1-CG 4.04Å; F192-K233 HydrophobicContact CE2-CB 4.35Å; F192-K233 HydrophobicContact CE2-CG 3.81Å; F192-K233 HydrophobicContact CG-CD 4.37Å; F192-K233 HydrophobicContact CG-CG 3.73Å; F192-K233 HydrophobicContact CZ-CB 4.32Å; F192-K233 HydrophobicContact CZ-CG 4.01Å; F192-F236 HydrophobicContact CE1-CB 4.17Å; F192-F236 HydrophobicContact CE1-CG 4.41Å; F192-F236 HydrophobicContact CZ-CB 3.67Å; F192-F236 AromaticContact CZ-CD1 3.96Å; F192-F236 HydrophobicContact CZ-CD1 3.96Å; F192-F236 HydrophobicContact CZ-CD2 4.24Å; F192-F236 AromaticContact CZ-CG 3.7Å; F192-F236 HydrophobicContact CZ-CG 3.7Å; F192-F237 HydrophobicContact CE2-CE2 4.44Å
193S95Very high94.1Very high22 Ų2250.7 Ų50.715%0.15423%0.233CC..EExtended strand (participates in β ladder)trans-148.4129.2179.7-170.30000110.7G195 Y196S193-G195 PolarHBondContact O-N 3.47Å; S193-Y196 PolarHBondContact N-O 3Å; S193-Y196 WeakPolarHBondContact O-CB 3.4Å; S193-Y196 PolarHBondContact O-N 3.35Å
194K92.6Very high94.1Very high140 Ų14053.5 Ų53.561%0.60925%0.251SS*.THydrogen-bonded Turntrans49.540.7179.9-61.5-173.6175.6-176.60113.8Y196 I269K194-Y196 VanDerWaalsContact C-N 3.27Å; K194-Y196 HydrophobicContact CB-CD2 4.39Å; K194-Y196 WeakPolarHBondContact O-CD2 3.4Å; K194-Y196 WeakPolarHBondContact O-CE2 3.49Å; K194-Y196 PolarHBondContact O-N 3.21Å; K194-I269 HydrophobicContact CD-CG1 4.27Å
195G93.5Very high93.8Very high19 Ų1951.4 Ų51.420%0.19626%0.26CS..THydrogen-bonded Turntrans83.7-12.7-177.900000115.3S193 F229 N230S193-G195 PolarHBondContact O-N 3.47Å; G195-F229 CarbonylContact O-C 3.52Å; G195-F229 WeakPolarHBondContact O-CA 3.42Å; G195-N230 WeakPolarHBondContact CA-OD1 3.23Å; G195-N230 PolarHBondContact O-N 2.66Å
196Y96.3Very high93.7Very high17 Ų1744 Ų447%0.06723%0.234CC..EExtended strand (participates in β ladder)trans-94.2155.4-178.4-61.5-83.2000112.9A164 F165 F192 S193 K194 I198 F219 F229 M253 I269A164-Y196 HydrophobicContact CB-CE1 4.01Å; A164-Y196 PolarHBondContact O-OH 3.15Å; F165-Y196 HydrophobicContact CE2-CE1 4.23Å; F165-Y196 HydrophobicContact CZ-CE1 4.15Å; F192-Y196 CarbonylContact C-O 3.58Å; F192-Y196 VanDerWaalsContact CA-O 3.25Å; F192-Y196 WeakPolarHBondContact CA-O 3.28Å; S193-Y196 PolarHBondContact N-O 3Å; S193-Y196 WeakPolarHBondContact O-CB 3.4Å; S193-Y196 PolarHBondContact O-N 3.35Å; K194-Y196 VanDerWaalsContact C-N 3.27Å; K194-Y196 HydrophobicContact CB-CD2 4.39Å; K194-Y196 WeakPolarHBondContact O-CD2 3.4Å; K194-Y196 WeakPolarHBondContact O-CE2 3.49Å; K194-Y196 PolarHBondContact O-N 3.21Å; Y196-I198 WeakPolarHBondContact O-CD1 3.44Å; Y196-F219 AromaticContact CD1-CD1 3.67Å; Y196-F219 HydrophobicContact CD1-CD1 3.67Å; Y196-F219 HydrophobicContact CD1-CE1 4.08Å; Y196-F219 HydrophobicContact CD2-CE1 4.19Å; Y196-F219 AromaticContact CG-CD1 3.7Å; Y196-F219 HydrophobicContact CG-CD1 3.7Å; Y196-F219 AromaticContact CG-CE1 3.72Å; Y196-F219 HydrophobicContact CG-CE1 3.72Å; Y196-F229 AromaticContact CD1-CD2 3.98Å; Y196-F229 HydrophobicContact CD1-CD2 3.98Å; Y196-F229 HydrophobicContact CD1-CE2 4.35Å; Y196-F229 HydrophobicContact CD2-CE2 4.23Å; Y196-F229 AromaticContact CE1-CD2 3.77Å; Y196-F229 HydrophobicContact CE1-CD2 3.77Å; Y196-F229 AromaticContact CE1-CE2 3.93Å; Y196-F229 HydrophobicContact CE1-CE2 3.93Å; Y196-F229 HydrophobicContact CE2-CD2 4.35Å; Y196-F229 AromaticContact CE2-CE2 3.77Å; Y196-F229 HydrophobicContact CE2-CE2 3.77Å; Y196-F229 HydrophobicContact CG-CD2 4.38Å; Y196-F229 AromaticContact CZ-CD2 3.95Å; Y196-F229 AromaticContact CZ-CE2 3.6Å; Y196-M253 HydrophobicContact CD1-CE 4.31Å; Y196-M253 HydrophobicContact CE1-CE 4.24Å; Y196-I269 HydrophobicContact CD2-CD1 3.73Å; Y196-I269 HydrophobicContact CE2-CD1 3.75Å
197V97.3Very high93.5Very high0 Ų044.1 Ų44.10%024%0.236CC..EExtended strand (participates in β ladder)trans-104115.1168.7-174.20000109V190 F192 F219 I220 F236V190-V197 HydrophobicContact CB-CG1 3.77Å; V190-V197 HydrophobicContact CG1-CG1 4.04Å; V190-V197 HydrophobicContact CG2-CG1 4.07Å; F192-V197 HydrophobicContact CD1-CG2 3.8Å; F192-V197 HydrophobicContact CE1-CG2 3.46Å; F192-V197 VanDerWaalsContact CE1-CG2 3.46Å; F192-V197 HydrophobicContact CE2-CG1 4.47Å; F192-V197 HydrophobicContact CG-CG2 4.49Å; F192-V197 HydrophobicContact CZ-CG1 4.36Å; F192-V197 HydrophobicContact CZ-CG2 3.87Å; V197-F219 CarbonylContact O-C 3.54Å; V197-F219 WeakPolarHBondContact O-CA 3.4Å; V197-I220 HydrophobicContact CB-CB 4.19Å; V197-I220 HydrophobicContact CG1-CB 4.21Å; V197-I220 HydrophobicContact CG1-CD1 4.08Å; V197-I220 HydrophobicContact CG1-CG1 4.44Å; V197-I220 PolarHBondContact O-N 3.39Å; V197-F236 HydrophobicContact CB-CE2 4.49Å; V197-F236 HydrophobicContact CG1-CE2 3.92Å; V197-F236 HydrophobicContact CG1-CZ 3.97Å; V197-F236 HydrophobicContact CG2-CD2 4.21Å; V197-F236 HydrophobicContact CG2-CE2 4.25Å
198I98Very high93.4Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-112.1132.8-175-56.788.5000109.7V190 R191 Y196 M200 D218 F219 I269 L270 L273 L275V190-I198 CarbonylContact C-O 3.43Å; V190-I198 VanDerWaalsContact CA-O 3.23Å; V190-I198 WeakPolarHBondContact CA-O 3.45Å; R191-I198 PolarHBondContact N-O 2.98Å; R191-I198 PolarHBondContact O-N 3.35Å; Y196-I198 WeakPolarHBondContact O-CD1 3.44Å; I198-M200 HydrophobicContact CG2-SD 4.46Å; I198-M200 PolarHBondContact O-N 3.48Å; I198-D218 WeakPolarHBondContact CA-O 3.45Å; I198-F219 HydrophobicContact CD1-CE1 4.23Å; I198-F219 HydrophobicContact CG1-CD1 4.02Å; I198-F219 HydrophobicContact CG1-CD2 4.31Å; I198-F219 HydrophobicContact CG1-CE1 3.72Å; I198-F219 HydrophobicContact CG1-CE2 4.02Å; I198-F219 HydrophobicContact CG1-CG 4.28Å; I198-F219 HydrophobicContact CG1-CZ 3.71Å; I198-F219 HydrophobicContact CG2-CE2 4.41Å; I198-I269 HydrophobicContact CD1-CG2 4.13Å; I198-I269 HydrophobicContact CG1-CG2 4.41Å; I198-L270 HydrophobicContact CG2-CD2 4.05Å; I198-L273 HydrophobicContact CB-CD1 3.99Å; I198-L273 HydrophobicContact CD1-CD1 4.02Å; I198-L273 HydrophobicContact CG1-CD1 4.04Å; I198-L273 HydrophobicContact CG2-CD1 4.07Å; I198-L275 HydrophobicContact CG2-CD1 4.4Å
199V97.5Very high93Very high0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-74118.2173.4-1780000109.3L188 V202 I214 G217 D218 I220L188-V199 HydrophobicContact CD2-CG1 3.94Å; L188-V199 HydrophobicContact CD2-CG2 4.36Å; V199-V202 HydrophobicContact CG1-CG2 3.82Å; V199-I214 HydrophobicContact CG1-CG2 4.38Å; V199-I214 HydrophobicContact CG2-CG2 3.84Å; V199-G217 PolarHBondContact O-N 3.5Å; V199-D218 HydrophobicContact CG2-CB 4.41Å; V199-D218 PolarHBondContact N-O 2.84Å; V199-I220 HydrophobicContact CG2-CD1 4.07Å; V199-I220 HydrophobicContact CG2-CG1 3.9Å
200M96.3Very high92.2Very high42 Ų4243 Ų4321%0.20723%0.23CC..EExtended strand (participates in β ladder)trans-92.9-34.9179-63.7-56.3-53.700112.6H189 R191 I198 L273 L275 R283H189-M200 PolarHBondContact O-N 3.02Å; R191-M200 HydrophobicContact CB-CG 3.67Å; R191-M200 HydrophobicContact CB-SD 3.81Å; R191-M200 HydrophobicContact CG-CG 3.7Å; R191-M200 HydrophobicContact CG-SD 4Å; I198-M200 HydrophobicContact CG2-SD 4.46Å; I198-M200 PolarHBondContact O-N 3.48Å; M200-L273 HydrophobicContact CE-CB 4.22Å; M200-L273 HydrophobicContact SD-CB 4.3Å; M200-L273 HydrophobicContact SD-CD1 3.97Å; M200-L275 HydrophobicContact CE-CD1 3.79Å; M200-L275 HydrophobicContact CE-CD2 4.09Å; M200-L275 HydrophobicContact CE-CG 3.94Å; M200-L275 HydrophobicContact SD-CD1 3.87Å; M200-R283 PolarHBondContact O-NH1 3.15Å
201K94.3Very high91.2Very high112 Ų11247 Ų4749%0.48725%0.25SS..EExtended strand (participates in β ladder)trans-156.6145.7-179.4179.6-179.1178.9-171.30108.8H189H189-K201 HydrophobicContact CB-CB 4.09Å; H189-K201 PolarHBondContact N-O 2.9Å; H189-K201 PolarHBondContact O-N 2.94Å
202V93.9Very high90.4Very high13 Ų1341.8 Ų41.88%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-107.9133.3167.8-173.70000107.3L188 V199 P204 A208 D209L188-V202 HydrophobicContact CD2-CG1 4.38Å; L188-V202 HydrophobicContact CD2-CG2 3.91Å; V199-V202 HydrophobicContact CG1-CG2 3.82Å; V202-P204 WeakPolarHBondContact O-CD 3.22Å; V202-A208 HydrophobicContact CG1-CB 3.82Å; V202-D209 HydrophobicContact CG1-CB 3.76Å
203E91.4Very high89.8Confident47 Ų4743.3 Ų43.322%0.2224%0.237CC..  trans-72.4121.9177.9-70.2179.9171.700108.8R185 G187 H189 G205 S206 D209R185-E203 IonicContact CZ-OE1 3.96Å; R185-E203 IonicContact NH2-OE1 3.86Å; R185-E203 PolarHBondContact NH2-OE1 2.73Å; R185-E203 IonicContact NH2-OE2 3.99Å; G187-E203 WeakPolarHBondContact CA-OE2 3.49Å; G187-E203 PolarHBondContact O-N 2.8Å; H189-E203 IonicContact CE1-OE1 3.38Å; H189-E203 WeakPolarHBondContact NE2-CG 3.24Å; H189-E203 IonicContact NE2-OE1 2.76Å; H189-E203 PolarHBondContact NE2-OE1 2.88Å; E203-G205 PolarHBondContact O-N 3.46Å; E203-S206 WeakPolarHBondContact O-CB 3.39Å; E203-S206 PolarHBondContact O-N 3.39Å; E203-S206 VanDerWaalsContact O-N 3.11Å; E203-S206 PolarHBondContact O-OG 3.25Å; E203-D209 WeakPolarHBondContact O-CB 3.35Å
204P86.4Confident89.7Confident76 Ų7642.4 Ų42.449%0.49423%0.23SC..THydrogen-bonded Turntrans-56134.5178-27.636.4000112.2V202 S206 D209V202-P204 WeakPolarHBondContact O-CD 3.22Å; P204-S206 PolarHBondContact O-N 3.37Å; P204-D209 WeakPolarHBondContact CA-OD2 3.44Å
205G81.4Confident89.7Confident68 Ų6836.6 Ų36.670%0.70121%0.205SC*.THydrogen-bonded Turntrans72.98-179.200000114.7E203 D209E203-G205 PolarHBondContact O-N 3.46Å; G205-D209 PolarHBondContact N-OD2 3.31Å
206S88.4Confident89.8Confident17 Ų1737.1 Ų37.112%0.11921%0.205CC..SBendtrans-82.6167.8172.171.90000112.2I186 E203 P204 A208 D209 E210I186-S206 WeakPolarHBondContact O-CB 3.49Å; I186-S206 PolarHBondContact O-OG 2.98Å; E203-S206 WeakPolarHBondContact O-CB 3.39Å; E203-S206 PolarHBondContact O-N 3.39Å; E203-S206 VanDerWaalsContact O-N 3.11Å; E203-S206 PolarHBondContact O-OG 3.25Å; P204-S206 PolarHBondContact O-N 3.37Å; S206-A208 PolarHBondContact O-N 2.94Å; S206-D209 WeakPolarHBondContact O-CB 3.27Å; S206-D209 PolarHBondContact O-N 3.36Å; S206-E210 PolarHBondContact O-N 3.28Å
207V87.8Confident89.8Confident21 Ų2136.3 Ų36.313%0.12720%0.202CC..G310 helixtrans-60.5-31.7177.9173.50000112.5L180 V181 C183 I186 D209L180-V207 HydrophobicContact CB-CG1 3.61Å; L180-V207 HydrophobicContact CD1-CG1 4.22Å; L180-V207 HydrophobicContact CG-CG1 4.42Å; V181-V207 HydrophobicContact CG2-CB 4.5Å; V181-V207 HydrophobicContact CG2-CG1 3.79Å; V181-V207 HydrophobicContact CG2-CG2 3.88Å; C183-V207 HydrophobicContact CB-CB 4.46Å; C183-V207 HydrophobicContact CB-CG2 3.8Å; I186-V207 PolarHBondContact O-N 2.76Å; V207-D209 VanDerWaalsContact C-N 3.3Å
208A90.1Very high89.8Confident1 Ų136.3 Ų36.31%0.00820%0.202CC..G310 helixtrans-72.9-22.5174.800000114.2I186 L188 V202 S206 E210 I214I186-A208 HydrophobicContact CG2-CB 3.73Å; I186-A208 VanDerWaalsContact O-CB 3.24Å; I186-A208 WeakPolarHBondContact O-CB 3.49Å; I186-A208 PolarHBondContact O-N 3.06Å; L188-A208 HydrophobicContact CD1-CB 4.31Å; L188-A208 HydrophobicContact CD2-CB 3.45Å; L188-A208 VanDerWaalsContact CD2-CB 3.45Å; L188-A208 HydrophobicContact CG-CB 3.61Å; V202-A208 HydrophobicContact CG1-CB 3.82Å; S206-A208 PolarHBondContact O-N 2.94Å; A208-E210 VanDerWaalsContact C-N 3.3Å; A208-I214 HydrophobicContact CB-CD1 4.45Å
209D87.4Confident89.8Confident14 Ų1436.3 Ų36.38%0.07520%0.202CC..G310 helixtrans-83-11.3-179.2-167.152.3000112.3V202 E203 P204 G205 S206 V207 D211 L212 R287V202-D209 HydrophobicContact CG1-CB 3.76Å; E203-D209 WeakPolarHBondContact O-CB 3.35Å; P204-D209 WeakPolarHBondContact CA-OD2 3.44Å; G205-D209 PolarHBondContact N-OD2 3.31Å; S206-D209 WeakPolarHBondContact O-CB 3.27Å; S206-D209 PolarHBondContact O-N 3.36Å; V207-D209 VanDerWaalsContact C-N 3.3Å; D209-D211 PolarHBondContact O-N 2.91Å; D209-L212 PolarHBondContact O-N 3.5Å; D209-R287 IonicContact OD1-NE 3.63Å; D209-R287 PolarHBondContact OD1-NE 3.42Å; D209-R287 IonicContact OD2-CZ 3.53Å; D209-R287 IonicContact OD2-NE 2.66Å; D209-R287 PolarHBondContact OD2-NE 2.94Å; D209-R287 IonicContact OD2-NH2 3.54Å; D209-R287 PolarHBondContact OD2-NH2 3.43Å
210E79.2Confident89.8Confident80 Ų8036.4 Ų36.437%0.37420%0.203SC..G310 helixtrans-58128.3177.7-70-176.8178.300111.6S206 A208 L212 R213S206-E210 PolarHBondContact O-N 3.28Å; A208-E210 VanDerWaalsContact C-N 3.3Å; E210-L212 PolarHBondContact O-N 3.34Å; E210-R213 WeakPolarHBondContact O-CG 3.13Å; E210-R213 PolarHBondContact O-N 3.19Å
211D75.4Confident89.8Confident115 Ų11534.5 Ų34.562%0.61519%0.193SC*.G310 helixtrans51.321.5179.4-53-41.4000115.2D209 R213D209-D211 PolarHBondContact O-N 2.91Å; D211-R213 HydrophobicContact CB-CG 4.05Å; D211-R213 PolarHBondContact O-N 3.39Å; D211-R213 VanDerWaalsContact O-N 3.09Å; D211-R213 IonicContact OD2-CZ 3.67Å; D211-R213 IonicContact OD2-NE 3.83Å; D211-R213 PolarHBondContact OD2-NE 2.85Å; D211-R213 IonicContact OD2-NH2 3.47Å; D211-R213 PolarHBondContact OD2-NH2 3.3Å
212L80.2Confident89.9Confident31 Ų3129.6 Ų29.616%0.16217%0.172CC..G310 helixtrans52.730.4-175.3-58.6171.7000113.2D209 E210 I214 E215 R287 L288 I291D209-L212 PolarHBondContact O-N 3.5Å; E210-L212 PolarHBondContact O-N 3.34Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 PolarHBondContact O-N 3.46Å; L212-E215 WeakPolarHBondContact O-CG 3.23Å; L212-R287 HydrophobicContact CD2-CB 4.17Å; L212-R287 HydrophobicContact CD2-CG 3.62Å; L212-L288 HydrophobicContact CD1-CD2 3.32Å; L212-L288 HydrophobicContact CD1-CG 3.67Å; L212-I291 HydrophobicContact CD1-CD1 4.16Å; L212-I291 HydrophobicContact CD2-CD1 3.88Å; L212-I291 HydrophobicContact CG-CD1 3.92Å
213R84.2Confident89.9Confident75 Ų7529 Ų2928%0.28317%0.168SC..  trans-60.8-45.8-178.3-71.1173.1-170.1-171.17110.8Y178 E210 D211 K254Y178-R213 HydrophobicContact CD1-CB 4Å; Y178-R213 HydrophobicContact CD1-CG 4.01Å; Y178-R213 HydrophobicContact CD2-CB 4.31Å; Y178-R213 HydrophobicContact CE1-CB 3.67Å; Y178-R213 HydrophobicContact CE1-CG 3.7Å; Y178-R213 HydrophobicContact CE2-CB 4.02Å; Y178-R213 WeakPolarHBondContact CE2-O 3.32Å; Y178-R213 HydrophobicContact CG-CB 4.28Å; Y178-R213 PolarHBondContact OH-O 3.01Å; E210-R213 WeakPolarHBondContact O-CG 3.13Å; E210-R213 PolarHBondContact O-N 3.19Å; D211-R213 HydrophobicContact CB-CG 4.05Å; D211-R213 PolarHBondContact O-N 3.39Å; D211-R213 VanDerWaalsContact O-N 3.09Å; D211-R213 IonicContact OD2-CZ 3.67Å; D211-R213 IonicContact OD2-NE 3.83Å; D211-R213 PolarHBondContact OD2-NE 2.85Å; D211-R213 IonicContact OD2-NH2 3.47Å; D211-R213 PolarHBondContact OD2-NH2 3.3Å; R213-K254 PolarHBondContact O-NZ 3.21Å
214I92.3Very high90.1Very high2 Ų227.8 Ų27.81%0.0116%0.162CC..SBendtrans-111.3135178.8-51.8178.8000108.6Y178 L180 L188 V199 A208 L212 I250 V252Y178-I214 HydrophobicContact CD2-CG1 4.24Å; Y178-I214 HydrophobicContact CE2-CG1 4.39Å; L180-I214 HydrophobicContact CD1-CD1 4.2Å; L188-I214 HydrophobicContact CD1-CD1 4.12Å; L188-I214 HydrophobicContact CD2-CB 4.43Å; L188-I214 HydrophobicContact CD2-CG2 3.8Å; V199-I214 HydrophobicContact CG1-CG2 4.38Å; V199-I214 HydrophobicContact CG2-CG2 3.84Å; A208-I214 HydrophobicContact CB-CD1 4.45Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 PolarHBondContact O-N 3.46Å; I214-I250 HydrophobicContact CD1-CD1 3.98Å; I214-I250 HydrophobicContact CD1-CG2 4.04Å; I214-V252 HydrophobicContact CD1-CG2 4.47Å; I214-V252 HydrophobicContact CG1-CG2 4.32Å
215E92.8Very high90.3Very high19 Ų1926.6 Ų26.69%0.08916%0.164CC..  trans-132.8156.4-174.3-61.4175.989.800111.4L212 G217 D218 K254 R284L212-E215 WeakPolarHBondContact O-CG 3.23Å; E215-G217 PolarHBondContact O-N 3.41Å; E215-D218 PolarHBondContact N-OD2 3.49Å; E215-D218 VanDerWaalsContact O-CB 3.29Å; E215-D218 WeakPolarHBondContact O-CB 3.32Å; E215-D218 PolarHBondContact O-N 3.08Å; E215-D218 VanDerWaalsContact O-N 3.13Å; E215-K254 WeakPolarHBondContact OE2-CE 3.4Å; E215-K254 IonicContact OE2-NZ 3.61Å; E215-K254 PolarHBondContact OE2-NZ 3.27Å; E215-R284 VanDerWaalsContact CD-NH2 3.25Å; E215-R284 WeakPolarHBondContact OE1-CG 3.37Å; E215-R284 IonicContact OE1-CZ 2.82Å; E215-R284 VanDerWaalsContact OE1-CZ 3.3Å; E215-R284 IonicContact OE1-NE 2.73Å; E215-R284 PolarHBondContact OE1-NE 3.24Å; E215-R284 IonicContact OE1-NH2 3.49Å; E215-R284 PolarHBondContact OE1-NH2 3.49Å; E215-R284 VanDerWaalsContact OE1-NH2 3.14Å; E215-R284 IonicContact OE2-CZ 2.77Å; E215-R284 IonicContact OE2-NE 3.73Å; E215-R284 IonicContact OE2-NH2 3.41Å; E215-R284 PolarHBondContact OE2-NH2 2.94Å
216P94.9Very high90.9Very high29 Ų2926.7 Ų26.719%0.18815%0.148CC..THydrogen-bonded Turntrans-53.5137.1169.6-24.434.9000111.4L280P216-L280 HydrophobicContact CB-CD2 4.21Å; P216-L280 WeakPolarHBondContact O-CD2 3.44Å
217G96.5Very high91.2Very high0 Ų028.1 Ų28.10%015%0.152CC..THydrogen-bonded Turntrans92.6-15.8-176.200000114.4V199 E215 F219 C255V199-G217 PolarHBondContact O-N 3.5Å; E215-G217 PolarHBondContact O-N 3.41Å; G217-F219 WeakPolarHBondContact O-CD2 3.33Å; G217-F219 WeakPolarHBondContact O-CE2 3.2Å; G217-C255 VanDerWaalsContact C-SG 3.52Å; G217-C255 VanDerWaalsContact O-CB 3.32Å; G217-C255 WeakPolarHBondContact O-CB 3.37Å
218D96.9Very high91.5Very high0 Ų027.2 Ų27.20%015%0.147CC..  trans-69.3153.6176.9-70.4-20.9000112.7I198 V199 E215 V252 K254 C255I198-D218 WeakPolarHBondContact CA-O 3.45Å; V199-D218 HydrophobicContact CG2-CB 4.41Å; V199-D218 PolarHBondContact N-O 2.84Å; E215-D218 PolarHBondContact N-OD2 3.49Å; E215-D218 VanDerWaalsContact O-CB 3.29Å; E215-D218 WeakPolarHBondContact O-CB 3.32Å; E215-D218 PolarHBondContact O-N 3.08Å; E215-D218 VanDerWaalsContact O-N 3.13Å; D218-V252 HydrophobicContact CB-CG1 3.61Å; D218-K254 WeakPolarHBondContact OD1-CA 3.34Å; D218-K254 IonicContact OD1-NZ 3.53Å; D218-K254 WeakPolarHBondContact OD2-CD 3.29Å; D218-K254 VanDerWaalsContact OD2-CE 3.3Å; D218-K254 WeakPolarHBondContact OD2-CE 2.98Å; D218-K254 IonicContact OD2-NZ 3.37Å; D218-K254 PolarHBondContact OD2-NZ 2.89Å; D218-C255 PolarHBondContact OD1-N 3.16Å
219F97.6Very high91.8Very high0 Ų028.5 Ų28.50%015%0.152CC..EExtended strand (participates in β ladder)trans-107.3121.3-179.3-75.2-123.5000108.9Y196 V197 I198 G217 D221 V252 M253 M266 I269 L270Y196-F219 AromaticContact CD1-CD1 3.67Å; Y196-F219 HydrophobicContact CD1-CD1 3.67Å; Y196-F219 HydrophobicContact CD1-CE1 4.08Å; Y196-F219 HydrophobicContact CD2-CE1 4.19Å; Y196-F219 AromaticContact CG-CD1 3.7Å; Y196-F219 HydrophobicContact CG-CD1 3.7Å; Y196-F219 AromaticContact CG-CE1 3.72Å; Y196-F219 HydrophobicContact CG-CE1 3.72Å; V197-F219 CarbonylContact O-C 3.54Å; V197-F219 WeakPolarHBondContact O-CA 3.4Å; I198-F219 HydrophobicContact CD1-CE1 4.23Å; I198-F219 HydrophobicContact CG1-CD1 4.02Å; I198-F219 HydrophobicContact CG1-CD2 4.31Å; I198-F219 HydrophobicContact CG1-CE1 3.72Å; I198-F219 HydrophobicContact CG1-CE2 4.02Å; I198-F219 HydrophobicContact CG1-CG 4.28Å; I198-F219 HydrophobicContact CG1-CZ 3.71Å; I198-F219 HydrophobicContact CG2-CE2 4.41Å; G217-F219 WeakPolarHBondContact O-CD2 3.33Å; G217-F219 WeakPolarHBondContact O-CE2 3.2Å; F219-D221 PolarHBondContact O-N 2.9Å; F219-V252 CarbonylContact O-C 3.56Å; F219-V252 WeakPolarHBondContact O-CA 3.47Å; F219-M253 HydrophobicContact CB-CB 4.09Å; F219-M253 HydrophobicContact CB-CE 3.94Å; F219-M253 PolarHBondContact N-O 2.98Å; F219-M253 PolarHBondContact O-N 2.92Å; F219-M266 HydrophobicContact CB-CE 4.17Å; F219-M266 HydrophobicContact CD1-CE 4.36Å; F219-M266 HydrophobicContact CD2-CE 3.7Å; F219-M266 HydrophobicContact CD2-CG 4.2Å; F219-M266 HydrophobicContact CD2-SD 3.71Å; F219-M266 HydrophobicContact CE1-CG 4.36Å; F219-M266 HydrophobicContact CE2-CB 4.04Å; F219-M266 HydrophobicContact CE2-CE 4.17Å; F219-M266 HydrophobicContact CE2-CG 3.68Å; F219-M266 HydrophobicContact CE2-SD 3.69Å; F219-M266 HydrophobicContact CG-CE 3.84Å; F219-M266 HydrophobicContact CG-SD 4.43Å; F219-M266 HydrophobicContact CZ-CB 4.13Å; F219-M266 HydrophobicContact CZ-CG 3.78Å; F219-M266 HydrophobicContact CZ-SD 4.37Å; F219-I269 HydrophobicContact CE1-CB 4.47Å; F219-I269 HydrophobicContact CE1-CD1 3.83Å; F219-I269 HydrophobicContact CE1-CG2 4.03Å; F219-I269 HydrophobicContact CZ-CB 4.03Å; F219-I269 HydrophobicContact CZ-CD1 4.09Å; F219-I269 HydrophobicContact CZ-CG2 3.83Å; F219-L270 HydrophobicContact CE2-CD1 4.46Å; F219-L270 HydrophobicContact CE2-CD2 3.93Å; F219-L270 HydrophobicContact CE2-CG 4.13Å; F219-L270 HydrophobicContact CZ-CD2 4.45Å; F219-L270 HydrophobicContact CZ-CG 4.44Å
220I97.4Very high92.1Very high3 Ų332.6 Ų32.62%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-80.4111.5172.6-54176.4000106.7L188 V190 V197 V199 T228 F236 I250L188-I220 HydrophobicContact CD1-CD1 4.01Å; V190-I220 HydrophobicContact CG1-CD1 3.69Å; V197-I220 HydrophobicContact CB-CB 4.19Å; V197-I220 HydrophobicContact CG1-CB 4.21Å; V197-I220 HydrophobicContact CG1-CD1 4.08Å; V197-I220 HydrophobicContact CG1-CG1 4.44Å; V197-I220 PolarHBondContact O-N 3.39Å; V199-I220 HydrophobicContact CG2-CD1 4.07Å; V199-I220 HydrophobicContact CG2-CG1 3.9Å; I220-T228 HydrophobicContact CG2-CG2 4.1Å; I220-T228 PolarHBondContact O-OG1 3.43Å; I220-F236 HydrophobicContact CD1-CZ 4.01Å; I220-F236 HydrophobicContact CG2-CE2 4.31Å; I220-I250 HydrophobicContact CD1-CD1 4.02Å; I220-I250 HydrophobicContact CG1-CD1 4.07Å; I220-I250 HydrophobicContact CG2-CD1 3.77Å; I220-I250 HydrophobicContact CG2-CG1 3.78Å
221D96.8Very high92.9Very high1 Ų130.1 Ų30.11%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-97.2-34.3-177-171.256.5000112.4Y175 F219 K227 T228 G251 M253Y175-D221 HydrophobicContact CE2-CB 3.84Å; Y175-D221 WeakPolarHBondContact CE2-OD2 3.32Å; F219-D221 PolarHBondContact O-N 2.9Å; D221-K227 WeakPolarHBondContact O-CA 3.31Å; D221-K227 IonicContact OD1-NZ 2.77Å; D221-K227 IonicContact OD2-NZ 3.49Å; D221-K227 PolarHBondContact OD2-NZ 3.29Å; D221-T228 VanDerWaalsContact C-OG1 3.3Å; D221-T228 WeakPolarHBondContact CA-OG1 3.45Å; D221-T228 PolarHBondContact O-N 3.13Å; D221-T228 PolarHBondContact O-OG1 3.43Å; D221-T228 VanDerWaalsContact O-OG1 3.07Å; D221-G251 PolarHBondContact N-O 3.4Å; D221-M253 HydrophobicContact CB-CE 3.97Å; D221-M253 HydrophobicContact CB-CG 4.26Å
222E95.9Very high93.8Very high10 Ų1027 Ų275%0.04715%0.154CC..EExtended strand (participates in β ladder)trans-136.9139.7-179.2-166.6-177.2135.700110.1K161 G225 N226 I250 G251K161-E222 VanDerWaalsContact CD-OE2 3.26Å; K161-E222 WeakPolarHBondContact CD-OE2 3.32Å; K161-E222 VanDerWaalsContact CE-OE2 3.31Å; K161-E222 WeakPolarHBondContact CE-OE2 3.31Å; K161-E222 IonicContact NZ-OE1 3.13Å; K161-E222 PolarHBondContact NZ-OE1 3.46Å; K161-E222 IonicContact NZ-OE2 3.39Å; K161-E222 PolarHBondContact NZ-OE2 3.01Å; E222-G225 VanDerWaalsContact OE1-CA 3.23Å; E222-G225 WeakPolarHBondContact OE1-CA 3.34Å; E222-N226 CarbonylContact C-O 3.56Å; E222-N226 VanDerWaalsContact CA-O 3.3Å; E222-N226 WeakPolarHBondContact CA-O 3.48Å; E222-I250 CarbonylContact O-C 3.42Å; E222-I250 WeakPolarHBondContact O-CA 3.12Å; E222-G251 PolarHBondContact N-O 3.45Å; E222-G251 PolarHBondContact O-N 3.5Å
223L95.6Very high94.6Very high1 Ų131.6 Ų31.61%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-138.5121.8174.8-175.369.8000109.3G225 N226 T228 F236 L239 L240 V248 I250L223-G225 VanDerWaalsContact C-N 3.28Å; L223-G225 PolarHBondContact O-N 3.5Å; L223-N226 PolarHBondContact N-O 3.27Å; L223-N226 WeakPolarHBondContact O-CB 3.09Å; L223-N226 PolarHBondContact O-N 2.8Å; L223-T228 HydrophobicContact CB-CG2 4.09Å; L223-F236 HydrophobicContact CD2-CD2 4Å; L223-F236 HydrophobicContact CD2-CE2 3.7Å; L223-F236 HydrophobicContact CD2-CZ 3.98Å; L223-L239 HydrophobicContact CD2-CB 4.24Å; L223-L240 HydrophobicContact CD1-CD2 4.21Å; L223-L240 HydrophobicContact CD2-CD2 3.81Å; L223-L240 HydrophobicContact CD2-CG 3.99Å; L223-V248 HydrophobicContact CD1-CG1 4.21Å; L223-I250 HydrophobicContact CD1-CB 4.48Å; L223-I250 HydrophobicContact CD1-CD1 4.35Å; L223-I250 HydrophobicContact CD1-CG1 4.36Å
224F94.1Very high95.1Very high21 Ų2133.4 Ų33.49%0.09219%0.191CC..THydrogen-bonded Turntrans48.844.7-175.2-53.9-72.4000113.4N226 L239 L240 Y243 P247 V248 Y249F224-N226 PolarHBondContact O-N 3.28Å; F224-N226 PolarHBondContact O-ND2 2.88Å; F224-L239 HydrophobicContact CD2-CB 4.24Å; F224-L240 HydrophobicContact CE2-CD2 4.15Å; F224-Y243 HydrophobicContact CB-CD2 4.19Å; F224-Y243 HydrophobicContact CB-CE2 4.11Å; F224-Y243 HydrophobicContact CB-CG 4.43Å; F224-Y243 AromaticContact CD1-CD1 3.91Å; F224-Y243 HydrophobicContact CD1-CD1 3.91Å; F224-Y243 HydrophobicContact CD1-CD2 4.26Å; F224-Y243 AromaticContact CD1-CG 3.75Å; F224-Y243 HydrophobicContact CD1-CG 3.75Å; F224-Y243 AromaticContact CD2-CD2 3.74Å; F224-Y243 HydrophobicContact CD2-CD2 3.74Å; F224-Y243 HydrophobicContact CD2-CE2 4.4Å; F224-Y243 AromaticContact CD2-CG 3.96Å; F224-Y243 HydrophobicContact CD2-CG 3.96Å; F224-Y243 VanDerWaalsContact CE1-CB 3.4Å; F224-Y243 HydrophobicContact CE1-CD1 4.25Å; F224-Y243 AromaticContact CE1-CG 3.87Å; F224-Y243 HydrophobicContact CE1-CG 3.87Å; F224-Y243 HydrophobicContact CE2-CD2 4.16Å; F224-Y243 HydrophobicContact CE2-CG 4.12Å; F224-Y243 HydrophobicContact CG-CD1 4.22Å; F224-Y243 AromaticContact CG-CD2 3.82Å; F224-Y243 HydrophobicContact CG-CD2 3.82Å; F224-Y243 HydrophobicContact CG-CE2 4.25Å; F224-Y243 AromaticContact CG-CG 3.8Å; F224-Y243 HydrophobicContact CG-CG 3.8Å; F224-Y243 HydrophobicContact CZ-CG 4.09Å; F224-P247 WeakPolarHBondContact CE1-O 3.19Å; F224-V248 HydrophobicContact CE1-CB 4.19Å; F224-V248 HydrophobicContact CE1-CG1 4.11Å; F224-V248 HydrophobicContact CE1-CG2 4.19Å; F224-V248 HydrophobicContact CZ-CB 4.29Å; F224-V248 HydrophobicContact CZ-CG1 3.92Å; F224-V248 HydrophobicContact CZ-CG2 4.04Å; F224-Y249 PolarHBondContact N-O 2.9Å
225G91.2Very high95.3Very high51 Ų5136.6 Ų36.653%0.52621%0.211SC..THydrogen-bonded Turntrans81.5-8.7-177.900000115.1E222 L223E222-G225 VanDerWaalsContact OE1-CA 3.23Å; E222-G225 WeakPolarHBondContact OE1-CA 3.34Å; L223-G225 VanDerWaalsContact C-N 3.28Å; L223-G225 PolarHBondContact O-N 3.5Å
226N93.7Very high95.5Very high70 Ų7036 Ų3637%0.37421%0.208SC..EExtended strand (participates in β ladder)trans-100.6130.6-175.7-65.8-86.4000111.4E222 L223 F224 M231 L239E222-N226 CarbonylContact C-O 3.56Å; E222-N226 VanDerWaalsContact CA-O 3.3Å; E222-N226 WeakPolarHBondContact CA-O 3.48Å; L223-N226 PolarHBondContact N-O 3.27Å; L223-N226 WeakPolarHBondContact O-CB 3.09Å; L223-N226 PolarHBondContact O-N 2.8Å; F224-N226 PolarHBondContact O-N 3.28Å; F224-N226 PolarHBondContact O-ND2 2.88Å; N226-M231 HydrophobicContact CB-CE 3.99Å; N226-L239 HydrophobicContact CB-CD1 4.11Å
227K94.2Very high95.5Very high47 Ų4739.5 Ų39.520%0.20422%0.221CC..EExtended strand (participates in β ladder)trans-67.5133.2173.5-69.4-67.3-167.7155.60111.5D90 K161 D221 M231D90-K227 WeakPolarHBondContact OD1-CB 3.23Å; D90-K227 VanDerWaalsContact OD1-CD 3.29Å; D90-K227 WeakPolarHBondContact OD1-CD 3.47Å; D90-K227 WeakPolarHBondContact OD1-CG 3.45Å; D90-K227 VanDerWaalsContact OD2-CD 3.32Å; D90-K227 WeakPolarHBondContact OD2-CD 3.4Å; D90-K227 WeakPolarHBondContact OD2-CE 3.25Å; D90-K227 IonicContact OD2-NZ 3.25Å; D90-K227 PolarHBondContact OD2-NZ 3.47Å; K161-K227 PolarHBondContact O-NZ 3.29Å; D221-K227 WeakPolarHBondContact O-CA 3.31Å; D221-K227 IonicContact OD1-NZ 2.77Å; D221-K227 IonicContact OD2-NZ 3.49Å; D221-K227 PolarHBondContact OD2-NZ 3.29Å; K227-M231 VanDerWaalsContact O-CE 3.25Å; K227-M231 WeakPolarHBondContact O-CE 3.32Å
228T95.8Very high95.4Very high2 Ų244.2 Ų44.21%0.01224%0.243CC..  trans-94-11.3-17562.50000113I220 D221 L223 N230 M231 F236I220-T228 HydrophobicContact CG2-CG2 4.1Å; I220-T228 PolarHBondContact O-OG1 3.43Å; D221-T228 VanDerWaalsContact C-OG1 3.3Å; D221-T228 WeakPolarHBondContact CA-OG1 3.45Å; D221-T228 PolarHBondContact O-N 3.13Å; D221-T228 PolarHBondContact O-OG1 3.43Å; D221-T228 VanDerWaalsContact O-OG1 3.07Å; L223-T228 HydrophobicContact CB-CG2 4.09Å; T228-N230 PolarHBondContact O-N 2.77Å; T228-M231 WeakPolarHBondContact O-CB 3.1Å; T228-M231 PolarHBondContact O-N 2.71Å; T228-F236 HydrophobicContact CG2-CD2 4.18Å; T228-F236 HydrophobicContact CG2-CE2 4.09Å
229F95.2Very high95.3Very high27 Ų2745.1 Ų45.112%0.11825%0.247CC..THydrogen-bonded Turntrans-59.5125.6178.3-172.9-103.2000110.7D90 Q92 G195 Y196 M231D90-F229 HydrophobicContact CB-CB 4.09Å; D90-F229 HydrophobicContact CB-CG 4.4Å; Q92-F229 HydrophobicContact CG-CE1 3.84Å; Q92-F229 HydrophobicContact CG-CZ 4.36Å; G195-F229 CarbonylContact O-C 3.52Å; G195-F229 WeakPolarHBondContact O-CA 3.42Å; Y196-F229 AromaticContact CD1-CD2 3.98Å; Y196-F229 HydrophobicContact CD1-CD2 3.98Å; Y196-F229 HydrophobicContact CD1-CE2 4.35Å; Y196-F229 HydrophobicContact CD2-CE2 4.23Å; Y196-F229 AromaticContact CE1-CD2 3.77Å; Y196-F229 HydrophobicContact CE1-CD2 3.77Å; Y196-F229 AromaticContact CE1-CE2 3.93Å; Y196-F229 HydrophobicContact CE1-CE2 3.93Å; Y196-F229 HydrophobicContact CE2-CD2 4.35Å; Y196-F229 AromaticContact CE2-CE2 3.77Å; Y196-F229 HydrophobicContact CE2-CE2 3.77Å; Y196-F229 HydrophobicContact CG-CD2 4.38Å; Y196-F229 AromaticContact CZ-CD2 3.95Å; Y196-F229 AromaticContact CZ-CE2 3.6Å; F229-M231 PolarHBondContact O-N 3.1Å; F229-M231 VanDerWaalsContact O-N 3.1Å
230N94.8Very high95.1Very high101 Ų10147.1 Ų47.154%0.5426%0.258SS..THydrogen-bonded Turntrans55.817.3-171.9-70.1-29.8000115.2G195 T228 A232G195-N230 WeakPolarHBondContact CA-OD1 3.23Å; G195-N230 PolarHBondContact O-N 2.66Å; T228-N230 PolarHBondContact O-N 2.77Å; N230-A232 PolarHBondContact O-N 3.45Å
231M95.1Very high94.9Very high28 Ų2850.3 Ų50.314%0.13828%0.278CS..  trans-66.9134.5174.2-177.2178.8-80.100110.4N226 K227 T228 F229 T235 F236 L239N226-M231 HydrophobicContact CB-CE 3.99Å; K227-M231 VanDerWaalsContact O-CE 3.25Å; K227-M231 WeakPolarHBondContact O-CE 3.32Å; T228-M231 WeakPolarHBondContact O-CB 3.1Å; T228-M231 PolarHBondContact O-N 2.71Å; F229-M231 PolarHBondContact O-N 3.1Å; F229-M231 VanDerWaalsContact O-N 3.1Å; M231-T235 HydrophobicContact CG-CG2 4.17Å; M231-T235 HydrophobicContact SD-CG2 4.38Å; M231-F236 HydrophobicContact CG-CB 4.33Å; M231-F236 HydrophobicContact SD-CB 3.77Å; M231-F236 HydrophobicContact SD-CD2 3.97Å; M231-F236 HydrophobicContact SD-CG 4.37Å; M231-L239 HydrophobicContact CE-CD1 3.58Å; M231-L239 HydrophobicContact SD-CD1 3.88Å
232A95.3Very high94.7Very high50 Ų5054.5 Ų54.541%0.41330%0.3SS..  trans-63.6141173.200000110.6N230 T234 T235 F236N230-A232 PolarHBondContact O-N 3.45Å; A232-T234 PolarHBondContact O-N 3.27Å; A232-T235 WeakPolarHBondContact O-CB 3.23Å; A232-T235 PolarHBondContact O-N 3.47Å; A232-T235 VanDerWaalsContact O-N 3.08Å; A232-F236 PolarHBondContact O-N 3.37Å
233K95.9Very high94.3Very high127 Ų12758 Ų5855%0.55231%0.314SS*.Hα-helixtrans-53.8-42.2178.4-64.9-177.1179172.20112.2F192 F236 F237F192-K233 HydrophobicContact CB-CG 4.41Å; F192-K233 HydrophobicContact CD1-CG 3.92Å; F192-K233 HydrophobicContact CD2-CD 4.12Å; F192-K233 HydrophobicContact CD2-CG 3.65Å; F192-K233 HydrophobicContact CE1-CG 4.04Å; F192-K233 HydrophobicContact CE2-CB 4.35Å; F192-K233 HydrophobicContact CE2-CG 3.81Å; F192-K233 HydrophobicContact CG-CD 4.37Å; F192-K233 HydrophobicContact CG-CG 3.73Å; F192-K233 HydrophobicContact CZ-CB 4.32Å; F192-K233 HydrophobicContact CZ-CG 4.01Å; K233-F236 PolarHBondContact O-N 3.26Å; K233-F237 WeakPolarHBondContact O-CD2 3.28Å; K233-F237 PolarHBondContact O-N 3.11Å; K233-F237 VanDerWaalsContact O-N 3.11Å
234T96.1Very high94.1Very high112 Ų11262.4 Ų62.469%0.68733%0.332SS*.Hα-helixtrans-59.5-48.417846.50000111.1A232 F236 F237 Q238A232-T234 PolarHBondContact O-N 3.27Å; T234-F236 PolarHBondContact O-N 3.14Å; T234-F237 PolarHBondContact O-N 3.35Å; T234-Q238 VanDerWaalsContact O-CB 3.26Å; T234-Q238 WeakPolarHBondContact O-CB 3.42Å; T234-Q238 PolarHBondContact O-N 2.9Å
235T96.3Very high93.7Very high70 Ų7070.2 Ų70.243%0.42936%0.361SS..Hα-helixtrans-61.5-42.1177.2-51.60000112.2M231 A232 F237 Q238 L239M231-T235 HydrophobicContact CG-CG2 4.17Å; M231-T235 HydrophobicContact SD-CG2 4.38Å; A232-T235 WeakPolarHBondContact O-CB 3.23Å; A232-T235 PolarHBondContact O-N 3.47Å; A232-T235 VanDerWaalsContact O-N 3.08Å; T235-F237 PolarHBondContact O-N 3.46Å; T235-Q238 PolarHBondContact O-N 3.03Å; T235-L239 WeakPolarHBondContact O-CG 3.43Å; T235-L239 PolarHBondContact O-N 3.37Å
236F96.3Very high93.7Very high5 Ų572.1 Ų72.12%0.02236%0.357CS..Hα-helixtrans-60.1-48.1177.8-177.6-88.5000112.2V190 F192 V197 I220 L223 T228 M231 A232 K233 T234 Q238 L239 L240V190-F236 HydrophobicContact CG2-CE1 3.98Å; F192-F236 HydrophobicContact CE1-CB 4.17Å; F192-F236 HydrophobicContact CE1-CG 4.41Å; F192-F236 HydrophobicContact CZ-CB 3.67Å; F192-F236 AromaticContact CZ-CD1 3.96Å; F192-F236 HydrophobicContact CZ-CD1 3.96Å; F192-F236 HydrophobicContact CZ-CD2 4.24Å; F192-F236 AromaticContact CZ-CG 3.7Å; F192-F236 HydrophobicContact CZ-CG 3.7Å; V197-F236 HydrophobicContact CB-CE2 4.49Å; V197-F236 HydrophobicContact CG1-CE2 3.92Å; V197-F236 HydrophobicContact CG1-CZ 3.97Å; V197-F236 HydrophobicContact CG2-CD2 4.21Å; V197-F236 HydrophobicContact CG2-CE2 4.25Å; I220-F236 HydrophobicContact CD1-CZ 4.01Å; I220-F236 HydrophobicContact CG2-CE2 4.31Å; L223-F236 HydrophobicContact CD2-CD2 4Å; L223-F236 HydrophobicContact CD2-CE2 3.7Å; L223-F236 HydrophobicContact CD2-CZ 3.98Å; T228-F236 HydrophobicContact CG2-CD2 4.18Å; T228-F236 HydrophobicContact CG2-CE2 4.09Å; M231-F236 HydrophobicContact CG-CB 4.33Å; M231-F236 HydrophobicContact SD-CB 3.77Å; M231-F236 HydrophobicContact SD-CD2 3.97Å; M231-F236 HydrophobicContact SD-CG 4.37Å; A232-F236 PolarHBondContact O-N 3.37Å; K233-F236 PolarHBondContact O-N 3.26Å; T234-F236 PolarHBondContact O-N 3.14Å; F236-Q238 VanDerWaalsContact C-N 3.34Å; F236-L239 PolarHBondContact O-N 2.97Å; F236-L240 HydrophobicContact CD1-CD1 4.09Å; F236-L240 HydrophobicContact CE1-CD1 3.67Å; F236-L240 HydrophobicContact CE1-CG 4.43Å; F236-L240 HydrophobicContact CZ-CD1 4.46Å; F236-L240 PolarHBondContact O-N 2.84Å
237F94.6Very high93.4Very high104 Ų10471 Ų7146%0.45635%0.353SS..Hα-helixtrans-73.4-26.8177.7-69.6-64.5000113V190 F192 K233 T234 T235 L240 T241V190-F237 HydrophobicContact CG2-CZ 4.16Å; F192-F237 HydrophobicContact CE2-CE2 4.44Å; K233-F237 WeakPolarHBondContact O-CD2 3.28Å; K233-F237 PolarHBondContact O-N 3.11Å; K233-F237 VanDerWaalsContact O-N 3.11Å; T234-F237 PolarHBondContact O-N 3.35Å; T235-F237 PolarHBondContact O-N 3.46Å; F237-L240 HydrophobicContact CD1-CD1 3.96Å; F237-L240 HydrophobicContact CE1-CD1 4.38Å; F237-L240 PolarHBondContact O-N 3.21Å; F237-T241 PolarHBondContact O-N 3.25Å; F237-T241 VanDerWaalsContact O-N 3.09Å; F237-T241 PolarHBondContact O-OG1 3.46Å
238Q95.2Very high93.3Very high98 Ų9868.9 Ų68.946%0.45834%0.344SS..Hα-helixtrans-64.6-46.2171.4-170.9634100110.6T234 T235 F236 L240 T241 D242T234-Q238 VanDerWaalsContact O-CB 3.26Å; T234-Q238 WeakPolarHBondContact O-CB 3.42Å; T234-Q238 PolarHBondContact O-N 2.9Å; T235-Q238 PolarHBondContact O-N 3.03Å; F236-Q238 VanDerWaalsContact C-N 3.34Å; Q238-L240 VanDerWaalsContact C-N 3.3Å; Q238-L240 PolarHBondContact O-N 3.35Å; Q238-T241 CarbonylContact O-C 3.56Å; Q238-T241 WeakPolarHBondContact O-CA 3.41Å; Q238-T241 WeakPolarHBondContact O-CB 3.48Å; Q238-T241 PolarHBondContact O-N 2.95Å; Q238-D242 PolarHBondContact NE2-OD1 3.44Å; Q238-D242 VanDerWaalsContact O-CG 3.26Å; Q238-D242 PolarHBondContact O-N 2.87Å
239L94.7Very high93.2Very high19 Ų1973.7 Ų73.710%0.09936%0.363CS..Hα-helixtrans-55.9-44.9174.3-75172.3000111.7L223 F224 N226 M231 T235 F236 T241 D242 Y243L223-L239 HydrophobicContact CD2-CB 4.24Å; F224-L239 HydrophobicContact CD2-CB 4.24Å; N226-L239 HydrophobicContact CB-CD1 4.11Å; M231-L239 HydrophobicContact CE-CD1 3.58Å; M231-L239 HydrophobicContact SD-CD1 3.88Å; T235-L239 WeakPolarHBondContact O-CG 3.43Å; T235-L239 PolarHBondContact O-N 3.37Å; F236-L239 PolarHBondContact O-N 2.97Å; L239-T241 PolarHBondContact O-N 3.02Å; L239-D242 PolarHBondContact O-N 2.98Å; L239-Y243 HydrophobicContact CD2-CD2 4.45Å; L239-Y243 HydrophobicContact CD2-CE2 4Å; L239-Y243 WeakPolarHBondContact O-CD2 3.4Å; L239-Y243 PolarHBondContact O-N 3.25Å; L239-Y243 VanDerWaalsContact O-N 3.16Å
240L93.2Very high93.3Very high43 Ų4372.4 Ų72.423%0.22536%0.357CS..Hα-helixtrans-61.3-29.3174.9-68.4176.6000113.3I186 L223 F224 F236 F237 Q238 K244I186-L240 HydrophobicContact CD1-CD2 3.27Å; I186-L240 HydrophobicContact CG1-CD2 4.37Å; L223-L240 HydrophobicContact CD1-CD2 4.21Å; L223-L240 HydrophobicContact CD2-CD2 3.81Å; L223-L240 HydrophobicContact CD2-CG 3.99Å; F224-L240 HydrophobicContact CE2-CD2 4.15Å; F236-L240 HydrophobicContact CD1-CD1 4.09Å; F236-L240 HydrophobicContact CE1-CD1 3.67Å; F236-L240 HydrophobicContact CE1-CG 4.43Å; F236-L240 HydrophobicContact CZ-CD1 4.46Å; F236-L240 PolarHBondContact O-N 2.84Å; F237-L240 HydrophobicContact CD1-CD1 3.96Å; F237-L240 HydrophobicContact CE1-CD1 4.38Å; F237-L240 PolarHBondContact O-N 3.21Å; Q238-L240 VanDerWaalsContact C-N 3.3Å; Q238-L240 PolarHBondContact O-N 3.35Å; L240-K244 WeakPolarHBondContact O-CG 3.39Å
241T92.6Very high93.3Very high69 Ų6967.6 Ų67.642%0.42333%0.332SS..Hα-helixtrans-81-42.5179.3-57.20000111.7F237 Q238 L239 Y243 K244F237-T241 PolarHBondContact O-N 3.25Å; F237-T241 VanDerWaalsContact O-N 3.09Å; F237-T241 PolarHBondContact O-OG1 3.46Å; Q238-T241 CarbonylContact O-C 3.56Å; Q238-T241 WeakPolarHBondContact O-CA 3.41Å; Q238-T241 WeakPolarHBondContact O-CB 3.48Å; Q238-T241 PolarHBondContact O-N 2.95Å; L239-T241 PolarHBondContact O-N 3.02Å; T241-Y243 VanDerWaalsContact C-N 3.33Å; T241-Y243 PolarHBondContact O-N 2.88Å; T241-K244 HydrophobicContact CG2-CD 4.45Å; T241-K244 WeakPolarHBondContact O-CB 3.33Å; T241-K244 VanDerWaalsContact O-CG 3.28Å; T241-K244 WeakPolarHBondContact O-CG 3.39Å; T241-K244 PolarHBondContact O-N 3.4Å
242D92.4Very high93.4Very high89 Ų8966.3 Ų66.348%0.47633%0.325SS..Hα-helixtrans-66-36.9-178-66.1-18000111.8Q238 L239Q238-D242 PolarHBondContact NE2-OD1 3.44Å; Q238-D242 VanDerWaalsContact O-CG 3.26Å; Q238-D242 PolarHBondContact O-N 2.87Å; L239-D242 PolarHBondContact O-N 2.98Å
243Y88.8Confident93.5Very high85 Ų8563.9 Ų63.933%0.33331%0.305SS..THydrogen-bonded Turntrans-97.120.8-179.9-68.3-89.9000113.1F224 L239 T241 R245 Q246F224-Y243 HydrophobicContact CB-CD2 4.19Å; F224-Y243 HydrophobicContact CB-CE2 4.11Å; F224-Y243 HydrophobicContact CB-CG 4.43Å; F224-Y243 AromaticContact CD1-CD1 3.91Å; F224-Y243 HydrophobicContact CD1-CD1 3.91Å; F224-Y243 HydrophobicContact CD1-CD2 4.26Å; F224-Y243 AromaticContact CD1-CG 3.75Å; F224-Y243 HydrophobicContact CD1-CG 3.75Å; F224-Y243 AromaticContact CD2-CD2 3.74Å; F224-Y243 HydrophobicContact CD2-CD2 3.74Å; F224-Y243 HydrophobicContact CD2-CE2 4.4Å; F224-Y243 AromaticContact CD2-CG 3.96Å; F224-Y243 HydrophobicContact CD2-CG 3.96Å; F224-Y243 VanDerWaalsContact CE1-CB 3.4Å; F224-Y243 HydrophobicContact CE1-CD1 4.25Å; F224-Y243 AromaticContact CE1-CG 3.87Å; F224-Y243 HydrophobicContact CE1-CG 3.87Å; F224-Y243 HydrophobicContact CE2-CD2 4.16Å; F224-Y243 HydrophobicContact CE2-CG 4.12Å; F224-Y243 HydrophobicContact CG-CD1 4.22Å; F224-Y243 AromaticContact CG-CD2 3.82Å; F224-Y243 HydrophobicContact CG-CD2 3.82Å; F224-Y243 HydrophobicContact CG-CE2 4.25Å; F224-Y243 AromaticContact CG-CG 3.8Å; F224-Y243 HydrophobicContact CG-CG 3.8Å; F224-Y243 HydrophobicContact CZ-CG 4.09Å; L239-Y243 HydrophobicContact CD2-CD2 4.45Å; L239-Y243 HydrophobicContact CD2-CE2 4Å; L239-Y243 WeakPolarHBondContact O-CD2 3.4Å; L239-Y243 PolarHBondContact O-N 3.25Å; L239-Y243 VanDerWaalsContact O-N 3.16Å; T241-Y243 VanDerWaalsContact C-N 3.33Å; T241-Y243 PolarHBondContact O-N 2.88Å; Y243-R245 PolarHBondContact O-N 2.93Å; Y243-Q246 WeakPolarHBondContact O-CB 3.49Å; Y243-Q246 PolarHBondContact O-N 2.96Å; Y243-Q246 VanDerWaalsContact O-N 3.14Å
244K89.7Confident93.4Very high92 Ų9258.3 Ų58.340%0.428%0.281SS..THydrogen-bonded Turntrans-54137.8173.8-85.6-179.9177.8-1680110.9L240 T241 Q246L240-K244 WeakPolarHBondContact O-CG 3.39Å; T241-K244 HydrophobicContact CG2-CD 4.45Å; T241-K244 WeakPolarHBondContact O-CB 3.33Å; T241-K244 VanDerWaalsContact O-CG 3.28Å; T241-K244 WeakPolarHBondContact O-CG 3.39Å; T241-K244 PolarHBondContact O-N 3.4Å; K244-Q246 PolarHBondContact O-N 3.23Å
245R87Confident93.4Very high185 Ų18553 Ų5370%0.69825%0.248SC*.THydrogen-bonded Turntrans60.622.8179.6-51.6179.3176.8179.5-1.3113.8C183 E184 Y243C183-R245 PolarHBondContact O-N 3.44Å; E184-R245 IonicContact OE2-NH2 3.94Å; Y243-R245 PolarHBondContact O-N 2.93Å
246Q90.1Very high93.1Very high92 Ų9249.9 Ų49.943%0.4323%0.229SC..SBendtrans-113.7157.9167-58.7-174.429.100109.9P182 Y243 K244 V248P182-Q246 WeakPolarHBondContact CA-O 3.47Å; Y243-Q246 WeakPolarHBondContact O-CB 3.49Å; Y243-Q246 PolarHBondContact O-N 2.96Å; Y243-Q246 VanDerWaalsContact O-N 3.14Å; K244-Q246 PolarHBondContact O-N 3.23Å; Q246-V248 PolarHBondContact O-N 2.72Å
247P89.1Confident92.7Very high45 Ų4552.2 Ų52.229%0.29224%0.242SC..  trans-54.7136.5174.2-23.533.7000111.3E179 L180 P182 F224 Y249E179-P247 HydrophobicContact CG-CB 4.29Å; L180-P247 CarbonylContact O-C 3.58Å; L180-P247 WeakPolarHBondContact O-CA 3.44Å; P182-P247 HydrophobicContact CG-CG 4.03Å; F224-P247 WeakPolarHBondContact CE1-O 3.19Å; P247-Y249 HydrophobicContact CB-CE2 4.15Å
248V91.8Very high92.1Very high4 Ų450.2 Ų50.22%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-96.5110.6-176.8-176.90000110.1E179 L180 I186 L223 F224 Q246E179-V248 CarbonylContact C-O 3.49Å; E179-V248 WeakPolarHBondContact CA-O 3.45Å; L180-V248 HydrophobicContact CB-CB 4.11Å; L180-V248 HydrophobicContact CD1-CB 4.45Å; L180-V248 HydrophobicContact CD1-CG1 4.47Å; L180-V248 PolarHBondContact N-O 2.87Å; L180-V248 PolarHBondContact O-N 2.99Å; I186-V248 HydrophobicContact CD1-CG1 3.67Å; I186-V248 HydrophobicContact CD1-CG2 4.19Å; I186-V248 HydrophobicContact CG1-CG1 4.39Å; I186-V248 HydrophobicContact CG1-CG2 4.13Å; L223-V248 HydrophobicContact CD1-CG1 4.21Å; F224-V248 HydrophobicContact CE1-CB 4.19Å; F224-V248 HydrophobicContact CE1-CG1 4.11Å; F224-V248 HydrophobicContact CE1-CG2 4.19Å; F224-V248 HydrophobicContact CZ-CB 4.29Å; F224-V248 HydrophobicContact CZ-CG1 3.92Å; F224-V248 HydrophobicContact CZ-CG2 4.04Å; Q246-V248 PolarHBondContact O-N 2.72Å
249Y94.1Very high91.5Very high102 Ų10250.4 Ų50.440%0.424%0.24SC..EExtended strand (participates in β ladder)trans-91.2118.2172.9-59.4-78.3000110Y178 E179 F224 P247Y178-Y249 WeakPolarHBondContact O-CA 3.49Å; E179-Y249 HydrophobicContact CB-CD1 4.06Å; E179-Y249 HydrophobicContact CB-CE1 3.93Å; E179-Y249 HydrophobicContact CG-CD1 4.05Å; E179-Y249 HydrophobicContact CG-CE1 3.52Å; E179-Y249 WeakPolarHBondContact OE1-CE1 3.35Å; E179-Y249 PolarHBondContact OE1-OH 2.96Å; F224-Y249 PolarHBondContact N-O 2.9Å; P247-Y249 HydrophobicContact CB-CE2 4.15Å
250I95.6Very high91.1Very high1 Ų151.5 Ų51.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-135.3129.4-176.1-168.9167.7000111.2M177 Y178 L180 L188 I214 I220 E222 L223 V252M177-I250 WeakPolarHBondContact CA-O 3.35Å; Y178-I250 HydrophobicContact CD2-CG2 4.4Å; Y178-I250 PolarHBondContact N-O 2.9Å; Y178-I250 PolarHBondContact O-N 2.93Å; L180-I250 HydrophobicContact CD1-CG2 4.26Å; L180-I250 HydrophobicContact CG-CG2 4.41Å; L188-I250 HydrophobicContact CD1-CD1 4.16Å; I214-I250 HydrophobicContact CD1-CD1 3.98Å; I214-I250 HydrophobicContact CD1-CG2 4.04Å; I220-I250 HydrophobicContact CD1-CD1 4.02Å; I220-I250 HydrophobicContact CG1-CD1 4.07Å; I220-I250 HydrophobicContact CG2-CD1 3.77Å; I220-I250 HydrophobicContact CG2-CG1 3.78Å; E222-I250 CarbonylContact O-C 3.42Å; E222-I250 WeakPolarHBondContact O-CA 3.12Å; L223-I250 HydrophobicContact CD1-CB 4.48Å; L223-I250 HydrophobicContact CD1-CD1 4.35Å; L223-I250 HydrophobicContact CD1-CG1 4.36Å; I250-V252 HydrophobicContact CD1-CG2 4.4Å; I250-V252 HydrophobicContact CG1-CG2 4.01Å; I250-V252 HydrophobicContact CG2-CG2 4.44Å
251G96.2Very high90.9Very high0 Ų054.9 Ų54.90%026%0.259CS..EExtended strand (participates in β ladder)trans-99.7126.4172.400000110.4Y175 M177 D221 E222Y175-G251 WeakPolarHBondContact OH-CA 3.17Å; M177-G251 WeakPolarHBondContact SD-CA 3.47Å; D221-G251 PolarHBondContact N-O 3.4Å; E222-G251 PolarHBondContact N-O 3.45Å; E222-G251 PolarHBondContact O-N 3.5Å
252V96.8Very high90.9Very high0 Ų052.8 Ų52.80%025%0.245CC..EExtended strand (participates in β ladder)trans-126.6124.7-172-175.60000110.2Y175 K176 Y178 I214 D218 F219 I250 K254Y175-V252 WeakPolarHBondContact CA-O 3.25Å; K176-V252 PolarHBondContact N-O 3.01Å; K176-V252 PolarHBondContact O-N 2.97Å; Y178-V252 HydrophobicContact CD2-CG2 4.01Å; Y178-V252 HydrophobicContact CE2-CB 4.27Å; Y178-V252 HydrophobicContact CE2-CG2 4.19Å; I214-V252 HydrophobicContact CD1-CG2 4.47Å; I214-V252 HydrophobicContact CG1-CG2 4.32Å; D218-V252 HydrophobicContact CB-CG1 3.61Å; F219-V252 CarbonylContact O-C 3.56Å; F219-V252 WeakPolarHBondContact O-CA 3.47Å; I250-V252 HydrophobicContact CD1-CG2 4.4Å; I250-V252 HydrophobicContact CG1-CG2 4.01Å; I250-V252 HydrophobicContact CG2-CG2 4.44Å; V252-K254 HydrophobicContact CG1-CD 4.05Å
253M96.7Very high91.1Very high0 Ų049.5 Ų49.50%023%0.226CC..EExtended strand (participates in β ladder)trans-89.2114.5164.7-68179.4-66.400108.8A164 F165 P173 L174 Y175 Y196 F219 D221 M266A164-M253 HydrophobicContact CB-CE 3.94Å; A164-M253 HydrophobicContact CB-SD 4.06Å; F165-M253 HydrophobicContact CD2-CE 4.39Å; F165-M253 HydrophobicContact CD2-SD 3.75Å; F165-M253 HydrophobicContact CE2-CE 3.85Å; F165-M253 HydrophobicContact CE2-SD 3.71Å; P173-M253 HydrophobicContact CB-CB 4.37Å; P173-M253 HydrophobicContact CG-CB 3.88Å; P173-M253 HydrophobicContact CG-CG 3.88Å; P173-M253 HydrophobicContact CG-SD 3.83Å; L174-M253 WeakPolarHBondContact O-CA 3.44Å; Y175-M253 HydrophobicContact CD2-CG 3.65Å; Y175-M253 HydrophobicContact CE2-CG 4.1Å; Y196-M253 HydrophobicContact CD1-CE 4.31Å; Y196-M253 HydrophobicContact CE1-CE 4.24Å; F219-M253 HydrophobicContact CB-CB 4.09Å; F219-M253 HydrophobicContact CB-CE 3.94Å; F219-M253 PolarHBondContact N-O 2.98Å; F219-M253 PolarHBondContact O-N 2.92Å; D221-M253 HydrophobicContact CB-CE 3.97Å; D221-M253 HydrophobicContact CB-CG 4.26Å; M253-M266 HydrophobicContact CB-CE 3.66Å
254K94.8Very high91.3Very high9 Ų948.1 Ų48.14%0.03923%0.232CC..  trans-75.1133.2-178.6-56.1-68.2-66.6-1750109.8L174 R213 E215 D218 V252L174-K254 HydrophobicContact CB-CB 4.19Å; L174-K254 HydrophobicContact CB-CG 4.45Å; L174-K254 HydrophobicContact CD2-CB 4.43Å; L174-K254 HydrophobicContact CD2-CG 4.13Å; L174-K254 HydrophobicContact CG-CG 4.47Å; L174-K254 PolarHBondContact O-N 3.05Å; R213-K254 PolarHBondContact O-NZ 3.21Å; E215-K254 WeakPolarHBondContact OE2-CE 3.4Å; E215-K254 IonicContact OE2-NZ 3.61Å; E215-K254 PolarHBondContact OE2-NZ 3.27Å; D218-K254 WeakPolarHBondContact OD1-CA 3.34Å; D218-K254 IonicContact OD1-NZ 3.53Å; D218-K254 WeakPolarHBondContact OD2-CD 3.29Å; D218-K254 VanDerWaalsContact OD2-CE 3.3Å; D218-K254 WeakPolarHBondContact OD2-CE 2.98Å; D218-K254 IonicContact OD2-NZ 3.37Å; D218-K254 PolarHBondContact OD2-NZ 2.89Å; V252-K254 HydrophobicContact CG1-CD 4.05Å
255C95.1Very high91.6Very high1 Ų144.7 Ų44.71%0.00722%0.219CC..SBendtrans-75.3-30.9177.261.80000112.8G217 D218 L262 Y263 M266 L270G217-C255 VanDerWaalsContact C-SG 3.52Å; G217-C255 VanDerWaalsContact O-CB 3.32Å; G217-C255 WeakPolarHBondContact O-CB 3.37Å; D218-C255 PolarHBondContact OD1-N 3.16Å; C255-L262 HydrophobicContact CB-CD1 4.07Å; C255-L262 WeakPolarHBondContact O-CA 3.4Å; C255-L262 VanDerWaalsContact O-CD1 3.26Å; C255-L262 WeakPolarHBondContact O-CD1 3.29Å; C255-Y263 PolarHBondContact O-N 2.88Å; C255-M266 HydrophobicContact CB-SD 3.96Å; C255-L270 HydrophobicContact CB-CD1 3.99Å
256L91.6Very high92Very high4 Ų435.9 Ų35.92%0.02119%0.186CC..BIsolated β-bridgetrans-109.2132.3176.2-64.9168.2000108.9K261 L262 K277 L280 L281L256-K261 WeakPolarHBondContact CA-O 3.44Å; L256-L262 HydrophobicContact CD2-CB 4.13Å; L256-L262 HydrophobicContact CD2-CD1 4.37Å; L256-K277 HydrophobicContact CD2-CG 4.26Å; L256-L280 HydrophobicContact CD1-CB 4.18Å; L256-L281 HydrophobicContact CD1-CD2 3.73Å; L256-L281 HydrophobicContact CD1-CG 4.25Å
257D86.8Confident92.2Very high55 Ų5536.3 Ų36.329%0.29419%0.186SC..  trans-77.1-174.5170.269.99.8000111.8D259 D260 K261D257-D259 PolarHBondContact O-N 2.94Å; D257-D259 VanDerWaalsContact OD1-C 3.3Å; D257-D259 WeakPolarHBondContact OD1-CA 3.45Å; D257-D259 WeakPolarHBondContact OD1-CB 3.05Å; D257-D259 PolarHBondContact OD1-N 3.38Å; D257-D260 PolarHBondContact O-N 3.14Å; D257-D260 VanDerWaalsContact O-N 3.17Å; D257-D260 PolarHBondContact OD1-N 3.32Å; D257-D260 VanDerWaalsContact OD1-N 3.13Å; D257-K261 PolarHBondContact N-O 3.02Å; D257-K261 WeakPolarHBondContact OD1-CA 3.32Å; D257-K261 WeakPolarHBondContact OD1-CB 3.32Å; D257-K261 PolarHBondContact OD1-N 3.37Å; D257-K261 WeakPolarHBondContact OD2-CB 3.29Å
258N81.3Confident92.5Very high62 Ų6237.7 Ų37.733%0.33220%0.196SC..THydrogen-bonded Turntrans-66.3-20.8-180-62.4-16.9000112.9R349 D365N258-R349 PolarHBondContact O-NE 2.77Å; N258-R349 VanDerWaalsContact O-NE 3.12Å; N258-R349 PolarHBondContact O-NH2 3.49Å; N258-D365 WeakPolarHBondContact CB-OD2 3.33Å; N258-D365 PolarHBondContact OD1-OD1 2.87Å
259D83.3Confident92.7Very high101 Ų10138 Ų3854%0.5420%0.197SC..THydrogen-bonded Turntrans-95.613.4177.7-68.6-24.8000112.5D257 K261D257-D259 PolarHBondContact O-N 2.94Å; D257-D259 VanDerWaalsContact OD1-C 3.3Å; D257-D259 WeakPolarHBondContact OD1-CA 3.45Å; D257-D259 WeakPolarHBondContact OD1-CB 3.05Å; D257-D259 PolarHBondContact OD1-N 3.38Å; D259-K261 HydrophobicContact CB-CD 4.09Å; D259-K261 HydrophobicContact CB-CG 4.08Å; D259-K261 PolarHBondContact O-N 2.63Å; D259-K261 IonicContact OD2-NZ 3.24Å; D259-K261 PolarHBondContact OD2-NZ 3.11Å
260D85.9Confident92.8Very high42 Ų4233.1 Ų33.123%0.22518%0.178CC..SBendtrans5827.5-175.8-69.8-51.6000113.2D257 K277 L281 R284 R349D257-D260 PolarHBondContact O-N 3.14Å; D257-D260 VanDerWaalsContact O-N 3.17Å; D257-D260 PolarHBondContact OD1-N 3.32Å; D257-D260 VanDerWaalsContact OD1-N 3.13Å; D260-K277 WeakPolarHBondContact O-CE 3.49Å; D260-K277 PolarHBondContact O-NZ 3.38Å; D260-L281 HydrophobicContact CB-CD2 3.74Å; D260-L281 WeakPolarHBondContact OD1-CD2 3.32Å; D260-R284 IonicContact OD1-CZ 3.07Å; D260-R284 IonicContact OD1-NH1 2.74Å; D260-R284 PolarHBondContact OD1-NH1 3.15Å; D260-R349 VanDerWaalsContact CG-NH1 3.26Å; D260-R349 IonicContact OD1-CZ 3.74Å; D260-R349 IonicContact OD1-NH1 3.4Å; D260-R349 PolarHBondContact OD1-NH1 3.2Å; D260-R349 IonicContact OD2-CZ 2.73Å; D260-R349 IonicContact OD2-NH1 3.87Å; D260-R349 PolarHBondContact OD2-NH1 2.85Å
261K89.6Confident92.7Very high114 Ų11436.9 Ų36.950%0.49620%0.204SC..PPolyproline II helixtrans-90.3131.8173.2-57.8168.6-174.7143.90109.3L256 D257 D259 Y263L256-K261 WeakPolarHBondContact CA-O 3.44Å; D257-K261 PolarHBondContact N-O 3.02Å; D257-K261 WeakPolarHBondContact OD1-CA 3.32Å; D257-K261 WeakPolarHBondContact OD1-CB 3.32Å; D257-K261 PolarHBondContact OD1-N 3.37Å; D257-K261 WeakPolarHBondContact OD2-CB 3.29Å; D259-K261 HydrophobicContact CB-CD 4.09Å; D259-K261 HydrophobicContact CB-CG 4.08Å; D259-K261 PolarHBondContact O-N 2.63Å; D259-K261 IonicContact OD2-NZ 3.24Å; D259-K261 PolarHBondContact OD2-NZ 3.11Å; K261-Y263 PolarHBondContact O-N 3.43Å
262L93.3Very high92.6Very high25 Ų2540.1 Ų40.113%0.13123%0.227CC..BIsolated β-bridgetrans-78.1122.3178.2-178.858.3000109.7C255 L256 A264 K267 L270 K277C255-L262 HydrophobicContact CB-CD1 4.07Å; C255-L262 WeakPolarHBondContact O-CA 3.4Å; C255-L262 VanDerWaalsContact O-CD1 3.26Å; C255-L262 WeakPolarHBondContact O-CD1 3.29Å; L256-L262 HydrophobicContact CD2-CB 4.13Å; L256-L262 HydrophobicContact CD2-CD1 4.37Å; L262-A264 PolarHBondContact O-N 3.02Å; L262-A264 VanDerWaalsContact O-N 3.13Å; L262-K267 HydrophobicContact CD2-CD 4.4Å; L262-K267 HydrophobicContact CD2-CG 3.56Å; L262-K267 HydrophobicContact CG-CG 3.85Å; L262-L270 HydrophobicContact CD1-CD1 3.71Å; L262-K277 HydrophobicContact CB-CD 4.24Å; L262-K277 HydrophobicContact CB-CG 4.28Å; L262-K277 HydrophobicContact CD2-CB 4Å
263Y95Very high92.5Very high21 Ų2140.8 Ų40.88%0.08223%0.23CC..PPolyproline II helixtrans-59.7116.7176.9-177.8-113.5000110.2F165 Q169 N171 P173 C255 K261 P265 M266F165-Y263 HydrophobicContact CB-CE1 4.3Å; F165-Y263 WeakPolarHBondContact CB-OH 3.37Å; F165-Y263 AromaticContact CD1-CE1 3.98Å; F165-Y263 HydrophobicContact CD1-CE1 3.98Å; F165-Y263 HydrophobicContact CD2-CE1 4.02Å; F165-Y263 HydrophobicContact CE1-CE1 4.31Å; F165-Y263 HydrophobicContact CE2-CE1 4.36Å; F165-Y263 AromaticContact CG-CE1 3.82Å; F165-Y263 HydrophobicContact CG-CE1 3.82Å; F165-Y263 HydrophobicContact CZ-CE1 4.5Å; Q169-Y263 VanDerWaalsContact NE2-CZ 3.31Å; Q169-Y263 PolarHBondContact NE2-OH 3.09Å; N171-Y263 WeakPolarHBondContact O-CE2 3.33Å; N171-Y263 PolarHBondContact O-OH 2.86Å; P173-Y263 HydrophobicContact CB-CD1 3.79Å; P173-Y263 HydrophobicContact CB-CD2 4.26Å; P173-Y263 HydrophobicContact CB-CE1 4.08Å; P173-Y263 HydrophobicContact CB-CG 3.89Å; P173-Y263 HydrophobicContact CG-CD1 4.23Å; P173-Y263 HydrophobicContact CG-CE1 4.07Å; C255-Y263 PolarHBondContact O-N 2.88Å; K261-Y263 PolarHBondContact O-N 3.43Å; Y263-P265 HydrophobicContact CD1-CB 4.13Å; Y263-P265 HydrophobicContact CD1-CG 4.09Å; Y263-P265 HydrophobicContact CE1-CB 3.63Å; Y263-P265 VanDerWaalsContact CE1-CD 3.48Å; Y263-P265 HydrophobicContact CE1-CG 3.45Å; Y263-P265 VanDerWaalsContact CE1-CG 3.45Å; Y263-P265 HydrophobicContact CE2-CG 4.3Å; Y263-M266 HydrophobicContact CD1-CB 4.5Å; Y263-M266 HydrophobicContact CD1-CE 4.33Å; Y263-M266 HydrophobicContact CD1-CG 3.9Å; Y263-M266 HydrophobicContact CD1-SD 4.04Å; Y263-M266 PolarHBondContact O-N 2.89Å
264A94.7Very high92.4Very high56 Ų5650 Ų5046%0.46327%0.27SS..G310 helixtrans-57.8-42.1-163.900000114.2L262 M266 K267L262-A264 PolarHBondContact O-N 3.02Å; L262-A264 VanDerWaalsContact O-N 3.13Å; A264-M266 PolarHBondContact O-N 3.08Å; A264-K267 VanDerWaalsContact O-CB 3.29Å; A264-K267 WeakPolarHBondContact O-CB 3.35Å; A264-K267 WeakPolarHBondContact O-CG 3.2Å; A264-K267 PolarHBondContact O-N 2.59Å; A264-K267 VanDerWaalsContact O-N 3.11Å
265P95Very high92.4Very high19 Ų1949.9 Ų49.912%0.12327%0.27CS..G310 helixtrans-61.4-24.4176.5-30.938.7000116.4F165 Q169 Y263 K267 P268F165-P265 HydrophobicContact CD1-CB 3.58Å; F165-P265 HydrophobicContact CD1-CG 4.37Å; F165-P265 HydrophobicContact CE1-CB 3.64Å; Q169-P265 HydrophobicContact CG-CG 4.26Å; Q169-P265 VanDerWaalsContact NE2-CD 3.31Å; Y263-P265 HydrophobicContact CD1-CB 4.13Å; Y263-P265 HydrophobicContact CD1-CG 4.09Å; Y263-P265 HydrophobicContact CE1-CB 3.63Å; Y263-P265 VanDerWaalsContact CE1-CD 3.48Å; Y263-P265 HydrophobicContact CE1-CG 3.45Å; Y263-P265 VanDerWaalsContact CE1-CG 3.45Å; Y263-P265 HydrophobicContact CE2-CG 4.3Å; P265-K267 VanDerWaalsContact C-N 3.31Å; P265-P268 VanDerWaalsContact O-CD 3.28Å; P265-P268 WeakPolarHBondContact O-CD 3.15Å
266M95.9Very high92.2Very high0 Ų052.3 Ų52.30%029%0.287CS..G310 helixtrans-78.9-18.9178.2-74.8172.2176.600112.3F165 P173 F219 M253 C255 Y263 A264 I269 L270F165-M266 HydrophobicContact CD2-CE 4.5Å; F165-M266 HydrophobicContact CE1-CG 4.36Å; F165-M266 HydrophobicContact CE2-CE 3.55Å; F165-M266 HydrophobicContact CE2-CG 4.25Å; F165-M266 HydrophobicContact CZ-CE 3.94Å; F165-M266 HydrophobicContact CZ-CG 3.68Å; P173-M266 HydrophobicContact CB-CE 3.95Å; P173-M266 HydrophobicContact CG-CE 3.96Å; F219-M266 HydrophobicContact CB-CE 4.17Å; F219-M266 HydrophobicContact CD1-CE 4.36Å; F219-M266 HydrophobicContact CD2-CE 3.7Å; F219-M266 HydrophobicContact CD2-CG 4.2Å; F219-M266 HydrophobicContact CD2-SD 3.71Å; F219-M266 HydrophobicContact CE1-CG 4.36Å; F219-M266 HydrophobicContact CE2-CB 4.04Å; F219-M266 HydrophobicContact CE2-CE 4.17Å; F219-M266 HydrophobicContact CE2-CG 3.68Å; F219-M266 HydrophobicContact CE2-SD 3.69Å; F219-M266 HydrophobicContact CG-CE 3.84Å; F219-M266 HydrophobicContact CG-SD 4.43Å; F219-M266 HydrophobicContact CZ-CB 4.13Å; F219-M266 HydrophobicContact CZ-CG 3.78Å; F219-M266 HydrophobicContact CZ-SD 4.37Å; M253-M266 HydrophobicContact CB-CE 3.66Å; C255-M266 HydrophobicContact CB-SD 3.96Å; Y263-M266 HydrophobicContact CD1-CB 4.5Å; Y263-M266 HydrophobicContact CD1-CE 4.33Å; Y263-M266 HydrophobicContact CD1-CG 3.9Å; Y263-M266 HydrophobicContact CD1-SD 4.04Å; Y263-M266 PolarHBondContact O-N 2.89Å; A264-M266 PolarHBondContact O-N 3.08Å; M266-I269 PolarHBondContact O-N 3.43Å; M266-I269 VanDerWaalsContact O-N 3.12Å; M266-L270 HydrophobicContact CB-CD1 3.97Å; M266-L270 HydrophobicContact CB-CG 4.44Å; M266-L270 WeakPolarHBondContact O-CG 3.48Å; M266-L270 PolarHBondContact O-N 3.31Å
267K94.4Very high92.2Very high101 Ų10155.8 Ų55.844%0.43930%0.302SS..Hα-helixtrans-51.9-51.7-176.7-68.2175.7179.1177.20113.2L262 A264 P265 I269 L270 S271L262-K267 HydrophobicContact CD2-CD 4.4Å; L262-K267 HydrophobicContact CD2-CG 3.56Å; L262-K267 HydrophobicContact CG-CG 3.85Å; A264-K267 VanDerWaalsContact O-CB 3.29Å; A264-K267 WeakPolarHBondContact O-CB 3.35Å; A264-K267 WeakPolarHBondContact O-CG 3.2Å; A264-K267 PolarHBondContact O-N 2.59Å; A264-K267 VanDerWaalsContact O-N 3.11Å; P265-K267 VanDerWaalsContact C-N 3.31Å; K267-I269 VanDerWaalsContact C-N 3.25Å; K267-I269 PolarHBondContact O-N 3.04Å; K267-L270 PolarHBondContact O-N 3.46Å; K267-S271 WeakPolarHBondContact O-CB 3.19Å; K267-S271 PolarHBondContact O-N 2.85Å; K267-S271 PolarHBondContact O-OG 3.43Å
268P94.4Very high92.4Very high75 Ų7558.9 Ų58.949%0.48732%0.319SS..Hα-helixtrans-63.6-33.5-177.4-17.431.5000112.5P265 S272P265-P268 VanDerWaalsContact O-CD 3.28Å; P265-P268 WeakPolarHBondContact O-CD 3.15Å; P268-S272 PolarHBondContact O-N 3.38Å
269I95.6Very high92.9Very high9 Ų959.9 Ų59.95%0.04632%0.322CS..Hα-helixtrans-70.2-50.4179.1-51.3177.3000109.3K194 Y196 I198 F219 M266 K267 S271 S272 L273K194-I269 HydrophobicContact CD-CG1 4.27Å; Y196-I269 HydrophobicContact CD2-CD1 3.73Å; Y196-I269 HydrophobicContact CE2-CD1 3.75Å; I198-I269 HydrophobicContact CD1-CG2 4.13Å; I198-I269 HydrophobicContact CG1-CG2 4.41Å; F219-I269 HydrophobicContact CE1-CB 4.47Å; F219-I269 HydrophobicContact CE1-CD1 3.83Å; F219-I269 HydrophobicContact CE1-CG2 4.03Å; F219-I269 HydrophobicContact CZ-CB 4.03Å; F219-I269 HydrophobicContact CZ-CD1 4.09Å; F219-I269 HydrophobicContact CZ-CG2 3.83Å; M266-I269 PolarHBondContact O-N 3.43Å; M266-I269 VanDerWaalsContact O-N 3.12Å; K267-I269 VanDerWaalsContact C-N 3.25Å; K267-I269 PolarHBondContact O-N 3.04Å; I269-S271 PolarHBondContact O-N 3.34Å; I269-S272 WeakPolarHBondContact O-CB 3.35Å; I269-S272 PolarHBondContact O-N 3.1Å; I269-S272 PolarHBondContact O-OG 3.46Å; I269-L273 PolarHBondContact O-N 3.1Å
270L96.5Very high93.4Very high0 Ų055.3 Ų55.30%030%0.298CS..Hα-helixtrans-64.2-40.2-180-68.6171.1000112.2I198 F219 C255 L262 M266 K267 S272 L273 K274 L275 L280I198-L270 HydrophobicContact CG2-CD2 4.05Å; F219-L270 HydrophobicContact CE2-CD1 4.46Å; F219-L270 HydrophobicContact CE2-CD2 3.93Å; F219-L270 HydrophobicContact CE2-CG 4.13Å; F219-L270 HydrophobicContact CZ-CD2 4.45Å; F219-L270 HydrophobicContact CZ-CG 4.44Å; C255-L270 HydrophobicContact CB-CD1 3.99Å; L262-L270 HydrophobicContact CD1-CD1 3.71Å; M266-L270 HydrophobicContact CB-CD1 3.97Å; M266-L270 HydrophobicContact CB-CG 4.44Å; M266-L270 WeakPolarHBondContact O-CG 3.48Å; M266-L270 PolarHBondContact O-N 3.31Å; K267-L270 PolarHBondContact O-N 3.46Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 3.24Å; L270-L273 CarbonylContact O-C 3.54Å; L270-L273 WeakPolarHBondContact O-CA 3.43Å; L270-L273 WeakPolarHBondContact O-CB 3.45Å; L270-L273 PolarHBondContact O-N 3.2Å; L270-K274 PolarHBondContact O-N 3.19Å; L270-L275 CarbonylContact C-O 3.55Å; L270-L275 HydrophobicContact CB-CB 4.21Å; L270-L275 HydrophobicContact CD2-CB 4.21Å; L270-L275 HydrophobicContact CD2-CD1 3.88Å; L270-L275 PolarHBondContact O-N 3.47Å; L270-L280 HydrophobicContact CD1-CD1 4.4Å
271S94.4Very high93.5Very high81 Ų8155.5 Ų55.557%0.56630%0.299SS*.Hα-helixtrans-61-38.6174.6-62.90000112.4K267 I269 L273 K274K267-S271 WeakPolarHBondContact O-CB 3.19Å; K267-S271 PolarHBondContact O-N 2.85Å; K267-S271 PolarHBondContact O-OG 3.43Å; I269-S271 PolarHBondContact O-N 3.34Å; S271-L273 PolarHBondContact O-N 2.96Å; S271-K274 PolarHBondContact O-N 2.95Å
272S94.4Very high93.5Very high68 Ų6855 Ų5548%0.47630%0.298SS..Hα-helixtrans-62.9-21.8174.678.80000113.3P268 I269 L270P268-S272 PolarHBondContact O-N 3.38Å; I269-S272 WeakPolarHBondContact O-CB 3.35Å; I269-S272 PolarHBondContact O-N 3.1Å; I269-S272 PolarHBondContact O-OG 3.46Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 3.24Å
273L94.7Very high93.2Very high14 Ų1457.8 Ų57.87%0.07331%0.307CS..THydrogen-bonded Turntrans-99.17.7177.4-60.8176.8000112.9R191 I198 M200 I269 L270 S271 L275R191-L273 HydrophobicContact CB-CD1 4.47Å; R191-L273 HydrophobicContact CB-CD2 4.41Å; R191-L273 HydrophobicContact CG-CD2 4.45Å; I198-L273 HydrophobicContact CB-CD1 3.99Å; I198-L273 HydrophobicContact CD1-CD1 4.02Å; I198-L273 HydrophobicContact CG1-CD1 4.04Å; I198-L273 HydrophobicContact CG2-CD1 4.07Å; M200-L273 HydrophobicContact CE-CB 4.22Å; M200-L273 HydrophobicContact SD-CB 4.3Å; M200-L273 HydrophobicContact SD-CD1 3.97Å; I269-L273 PolarHBondContact O-N 3.1Å; L270-L273 CarbonylContact O-C 3.54Å; L270-L273 WeakPolarHBondContact O-CA 3.43Å; L270-L273 WeakPolarHBondContact O-CB 3.45Å; L270-L273 PolarHBondContact O-N 3.2Å; S271-L273 PolarHBondContact O-N 2.96Å; L273-L275 HydrophobicContact CB-CD1 4.44Å; L273-L275 HydrophobicContact CB-CG 4.39Å; L273-L275 PolarHBondContact O-N 3.31Å
274K94Very high92.7Very high193 Ų19358 Ų5884%0.83931%0.308SS*.THydrogen-bonded Turntrans58.130.2-175.8-53.3-178.2179.7-177.70113.3L270 S271L270-K274 PolarHBondContact O-N 3.19Å; S271-K274 PolarHBondContact O-N 2.95Å
275L93.7Very high92.1Very high7 Ų758 Ų584%0.03730%0.299CS..  trans-99.2108.1171.2-64.4176.1000108.6I198 M200 L270 L273 L280I198-L275 HydrophobicContact CG2-CD1 4.4Å; M200-L275 HydrophobicContact CE-CD1 3.79Å; M200-L275 HydrophobicContact CE-CD2 4.09Å; M200-L275 HydrophobicContact CE-CG 3.94Å; M200-L275 HydrophobicContact SD-CD1 3.87Å; L270-L275 CarbonylContact C-O 3.55Å; L270-L275 HydrophobicContact CB-CB 4.21Å; L270-L275 HydrophobicContact CD2-CB 4.21Å; L270-L275 HydrophobicContact CD2-CD1 3.88Å; L270-L275 PolarHBondContact O-N 3.47Å; L273-L275 HydrophobicContact CB-CD1 4.44Å; L273-L275 HydrophobicContact CB-CG 4.39Å; L273-L275 PolarHBondContact O-N 3.31Å; L275-L280 HydrophobicContact CB-CD2 4.29Å; L275-L280 HydrophobicContact CD2-CD2 4.09Å
276S92.1Very high91.6Very high52 Ų5261.1 Ų61.136%0.36431%0.312SS..  trans-96.2157173.272.50000110.9D278 M279 L280S276-D278 VanDerWaalsContact C-N 3.26Å; S276-D278 PolarHBondContact O-N 3.33Å; S276-M279 PolarHBondContact O-N 3Å; S276-M279 WeakPolarHBondContact OG-CB 3.32Å; S276-M279 WeakPolarHBondContact OG-CG 3.28Å; S276-M279 PolarHBondContact OG-N 3.02Å; S276-L280 WeakPolarHBondContact O-CG 3.36Å; S276-L280 PolarHBondContact O-N 3.48Å
277K92.1Very high91Very high77 Ų7762.2 Ų62.234%0.33532%0.316SS..Hα-helixtrans-50.9-48.2175.7-176.7-176174175.80111.7L256 D260 L262 M279 L280 L281L256-K277 HydrophobicContact CD2-CG 4.26Å; D260-K277 WeakPolarHBondContact O-CE 3.49Å; D260-K277 PolarHBondContact O-NZ 3.38Å; L262-K277 HydrophobicContact CB-CD 4.24Å; L262-K277 HydrophobicContact CB-CG 4.28Å; L262-K277 HydrophobicContact CD2-CB 4Å; K277-M279 VanDerWaalsContact C-N 3.34Å; K277-M279 PolarHBondContact O-N 2.87Å; K277-L280 PolarHBondContact O-N 2.97Å; K277-L281 HydrophobicContact CG-CD1 4.09Å; K277-L281 WeakPolarHBondContact O-CG 3.43Å; K277-L281 PolarHBondContact O-N 3.14Å
278D90.4Very high90.3Very high120 Ų12059.1 Ų59.164%0.64231%0.305SS*.Hα-helixtrans-64.3-39.7-176.9-58.7-34.7000111.7S276 L280 L281 Q282S276-D278 VanDerWaalsContact C-N 3.26Å; S276-D278 PolarHBondContact O-N 3.33Å; D278-L280 PolarHBondContact O-N 3.37Å; D278-L281 PolarHBondContact O-N 3.12Å; D278-Q282 VanDerWaalsContact O-CB 3.25Å; D278-Q282 WeakPolarHBondContact O-CB 3.32Å; D278-Q282 PolarHBondContact O-N 3.45Å
279M91.8Very high89.5Confident82 Ų8260 Ų6040%0.40430%0.302SS..Hα-helixtrans-63.6-39.8175.4-72.9-68.3-6200112.3S276 K277 R283S276-M279 PolarHBondContact O-N 3Å; S276-M279 WeakPolarHBondContact OG-CB 3.32Å; S276-M279 WeakPolarHBondContact OG-CG 3.28Å; S276-M279 PolarHBondContact OG-N 3.02Å; K277-M279 VanDerWaalsContact C-N 3.34Å; K277-M279 PolarHBondContact O-N 2.87Å; M279-R283 WeakPolarHBondContact O-CB 3.34Å; M279-R283 VanDerWaalsContact O-CG 3.3Å; M279-R283 WeakPolarHBondContact O-CG 3.4Å; M279-R283 PolarHBondContact O-N 3.1Å
280L92.9Very high88.7Confident6 Ų663.8 Ų63.83%0.03132%0.319CS..Hα-helixtrans-67.6-43.8178.5-63.5-178.7000111.3P216 L256 L270 L275 S276 K277 D278 R283 R284P216-L280 HydrophobicContact CB-CD2 4.21Å; P216-L280 WeakPolarHBondContact O-CD2 3.44Å; L256-L280 HydrophobicContact CD1-CB 4.18Å; L270-L280 HydrophobicContact CD1-CD1 4.4Å; L275-L280 HydrophobicContact CB-CD2 4.29Å; L275-L280 HydrophobicContact CD2-CD2 4.09Å; S276-L280 WeakPolarHBondContact O-CG 3.36Å; S276-L280 PolarHBondContact O-N 3.48Å; K277-L280 PolarHBondContact O-N 2.97Å; D278-L280 PolarHBondContact O-N 3.37Å; L280-R283 PolarHBondContact O-N 3.36Å; L280-R284 PolarHBondContact O-N 2.91Å
281L89.7Confident87.6Confident46 Ų4665.3 Ų65.324%0.24133%0.327CS..Hα-helixtrans-64.8-40.6176-70175.4000112.3L256 D260 K277 D278 R284 L285L256-L281 HydrophobicContact CD1-CD2 3.73Å; L256-L281 HydrophobicContact CD1-CG 4.25Å; D260-L281 HydrophobicContact CB-CD2 3.74Å; D260-L281 WeakPolarHBondContact OD1-CD2 3.32Å; K277-L281 HydrophobicContact CG-CD1 4.09Å; K277-L281 WeakPolarHBondContact O-CG 3.43Å; K277-L281 PolarHBondContact O-N 3.14Å; D278-L281 PolarHBondContact O-N 3.12Å; L281-R284 PolarHBondContact O-N 3.34Å; L281-L285 WeakPolarHBondContact O-CB 3.4Å; L281-L285 PolarHBondContact O-N 3.31Å
282Q87.7Confident86.6Confident102 Ų10262.8 Ų62.848%0.47731%0.312SS..Hα-helixtrans-61.5-47.5176-178.1178.3-13.100110.9D278 R284 L285 E286D278-Q282 VanDerWaalsContact O-CB 3.25Å; D278-Q282 WeakPolarHBondContact O-CB 3.32Å; D278-Q282 PolarHBondContact O-N 3.45Å; Q282-R284 VanDerWaalsContact C-N 3.35Å; Q282-R284 PolarHBondContact O-N 2.94Å; Q282-L285 WeakPolarHBondContact O-CB 3.45Å; Q282-L285 PolarHBondContact O-N 3.4Å; Q282-L285 VanDerWaalsContact O-N 3.14Å; Q282-E286 HydrophobicContact CG-CG 4.39Å; Q282-E286 VanDerWaalsContact CG-OE1 3.31Å; Q282-E286 WeakPolarHBondContact CG-OE1 3.14Å; Q282-E286 PolarHBondContact NE2-OE1 3.15Å; Q282-E286 WeakPolarHBondContact O-CG 3.25Å; Q282-E286 PolarHBondContact O-N 3.27Å
283R87.2Confident85.6Confident85 Ų8562.4 Ų62.432%0.32131%0.313SS..Hα-helixtrans-60.8-41.3177-75.2176.4178.9-169.2-1.2113M200 M279 L280 L285 E286 R287M200-R283 PolarHBondContact O-NH1 3.15Å; M279-R283 WeakPolarHBondContact O-CB 3.34Å; M279-R283 VanDerWaalsContact O-CG 3.3Å; M279-R283 WeakPolarHBondContact O-CG 3.4Å; M279-R283 PolarHBondContact O-N 3.1Å; L280-R283 PolarHBondContact O-N 3.36Å; R283-L285 VanDerWaalsContact C-N 3.32Å; R283-E286 PolarHBondContact O-N 3.4Å; R283-R287 PolarHBondContact O-N 3.08Å
284R86.1Confident84.6Confident26 Ų2666.8 Ų66.810%0.09833%0.333CS..Hα-helixtrans-59.3-45174.2176.4-176.1-70.4176-10.5110.8E215 D260 L280 L281 Q282 L288E215-R284 VanDerWaalsContact CD-NH2 3.25Å; E215-R284 WeakPolarHBondContact OE1-CG 3.37Å; E215-R284 IonicContact OE1-CZ 2.82Å; E215-R284 VanDerWaalsContact OE1-CZ 3.3Å; E215-R284 IonicContact OE1-NE 2.73Å; E215-R284 PolarHBondContact OE1-NE 3.24Å; E215-R284 IonicContact OE1-NH2 3.49Å; E215-R284 PolarHBondContact OE1-NH2 3.49Å; E215-R284 VanDerWaalsContact OE1-NH2 3.14Å; E215-R284 IonicContact OE2-CZ 2.77Å; E215-R284 IonicContact OE2-NE 3.73Å; E215-R284 IonicContact OE2-NH2 3.41Å; E215-R284 PolarHBondContact OE2-NH2 2.94Å; D260-R284 IonicContact OD1-CZ 3.07Å; D260-R284 IonicContact OD1-NH1 2.74Å; D260-R284 PolarHBondContact OD1-NH1 3.15Å; L280-R284 PolarHBondContact O-N 2.91Å; L281-R284 PolarHBondContact O-N 3.34Å; Q282-R284 VanDerWaalsContact C-N 3.35Å; Q282-R284 PolarHBondContact O-N 2.94Å; R284-L288 HydrophobicContact CG-CD1 4.14Å; R284-L288 WeakPolarHBondContact O-CB 3.41Å; R284-L288 WeakPolarHBondContact O-CG 3.33Å; R284-L288 PolarHBondContact O-N 3.25Å
285L81.6Confident83.3Confident55 Ų5559.4 Ų59.429%0.28830%0.301SS..Hα-helixtrans-65-46.2178.5-173.169.3000111.9L281 Q282 R283 R287 L288 E289L281-L285 WeakPolarHBondContact O-CB 3.4Å; L281-L285 PolarHBondContact O-N 3.31Å; Q282-L285 WeakPolarHBondContact O-CB 3.45Å; Q282-L285 PolarHBondContact O-N 3.4Å; Q282-L285 VanDerWaalsContact O-N 3.14Å; R283-L285 VanDerWaalsContact C-N 3.32Å; L285-R287 VanDerWaalsContact C-N 3.35Å; L285-R287 PolarHBondContact O-N 2.89Å; L285-L288 WeakPolarHBondContact O-CB 3.32Å; L285-L288 PolarHBondContact O-N 3.1Å; L285-E289 WeakPolarHBondContact O-CG 3.34Å; L285-E289 PolarHBondContact O-N 2.89Å
286E83.2Confident81.8Confident84 Ų8462.3 Ų62.339%0.39333%0.326SS..Hα-helixtrans-56.5-47.4176.6-73.3166.7179.600110.9Q282 R283 L288 E289 E290Q282-E286 HydrophobicContact CG-CG 4.39Å; Q282-E286 VanDerWaalsContact CG-OE1 3.31Å; Q282-E286 WeakPolarHBondContact CG-OE1 3.14Å; Q282-E286 PolarHBondContact NE2-OE1 3.15Å; Q282-E286 WeakPolarHBondContact O-CG 3.25Å; Q282-E286 PolarHBondContact O-N 3.27Å; R283-E286 PolarHBondContact O-N 3.4Å; E286-L288 PolarHBondContact O-N 3.33Å; E286-E289 PolarHBondContact O-N 3.03Å; E286-E289 VanDerWaalsContact O-N 3.16Å; E286-E290 WeakPolarHBondContact O-CG 3.31Å; E286-E290 PolarHBondContact O-N 3.06Å
287R83.3Confident80.3Confident24 Ų2463.6 Ų63.69%0.09134%0.34CS..Hα-helixtrans-67.2-36.9179.2-167.565.4-171.6132.511.8112.8D209 L212 R283 L285 E289 E290 I291 E294D209-R287 IonicContact OD1-NE 3.63Å; D209-R287 PolarHBondContact OD1-NE 3.42Å; D209-R287 IonicContact OD2-CZ 3.53Å; D209-R287 IonicContact OD2-NE 2.66Å; D209-R287 PolarHBondContact OD2-NE 2.94Å; D209-R287 IonicContact OD2-NH2 3.54Å; D209-R287 PolarHBondContact OD2-NH2 3.43Å; L212-R287 HydrophobicContact CD2-CB 4.17Å; L212-R287 HydrophobicContact CD2-CG 3.62Å; R283-R287 PolarHBondContact O-N 3.08Å; L285-R287 VanDerWaalsContact C-N 3.35Å; L285-R287 PolarHBondContact O-N 2.89Å; R287-E289 VanDerWaalsContact C-N 3.28Å; R287-E289 PolarHBondContact O-N 2.8Å; R287-E290 VanDerWaalsContact CD-OE2 3.29Å; R287-E290 WeakPolarHBondContact CD-OE2 3.26Å; R287-E290 IonicContact CZ-OE2 2.85Å; R287-E290 IonicContact NE-OE2 3.74Å; R287-E290 IonicContact NH1-OE2 2.74Å; R287-E290 PolarHBondContact NH1-OE2 3.09Å; R287-E290 PolarHBondContact O-N 2.9Å; R287-I291 HydrophobicContact CG-CD1 4.14Å; R287-I291 VanDerWaalsContact O-CG1 3.31Å; R287-I291 WeakPolarHBondContact O-CG1 3.49Å; R287-I291 PolarHBondContact O-N 3.09Å; R287-E294 IonicContact CZ-OE1 3.36Å; R287-E294 IonicContact NH1-OE1 3.71Å; R287-E294 PolarHBondContact NH1-OE1 3.33Å; R287-E294 VanDerWaalsContact NH1-OE1 3.07Å; R287-E294 IonicContact NH2-OE1 3.14Å; R287-E294 IonicContact NH2-OE2 3.18Å
288L80.9Confident78.4Confident36 Ų3665.6 Ų65.619%0.18835%0.354CS..Hα-helixtrans-61.1-37.9172.7-78.1166000112L212 R284 L285 E286 A292L212-L288 HydrophobicContact CD1-CD2 3.32Å; L212-L288 HydrophobicContact CD1-CG 3.67Å; R284-L288 HydrophobicContact CG-CD1 4.14Å; R284-L288 WeakPolarHBondContact O-CB 3.41Å; R284-L288 WeakPolarHBondContact O-CG 3.33Å; R284-L288 PolarHBondContact O-N 3.25Å; L285-L288 WeakPolarHBondContact O-CB 3.32Å; L285-L288 PolarHBondContact O-N 3.1Å; E286-L288 PolarHBondContact O-N 3.33Å; L288-A292 WeakPolarHBondContact O-CB 3.34Å; L288-A292 PolarHBondContact O-N 3.37Å; L288-A292 VanDerWaalsContact O-N 3.14Å
289E77.8Confident76Confident92 Ų9264.9 Ų64.943%0.4336%0.356SS..Hα-helixtrans-69.2-39.4175.3-70.1-174.5155.100111.9L285 E286 R287 A292 A293 K424L285-E289 WeakPolarHBondContact O-CG 3.34Å; L285-E289 PolarHBondContact O-N 2.89Å; E286-E289 PolarHBondContact O-N 3.03Å; E286-E289 VanDerWaalsContact O-N 3.16Å; R287-E289 VanDerWaalsContact C-N 3.28Å; R287-E289 PolarHBondContact O-N 2.8Å; E289-A292 PolarHBondContact O-N 2.89Å; E289-A293 WeakPolarHBondContact O-CB 3.21Å; E289-A293 PolarHBondContact O-N 2.99Å; E289-K424 WeakPolarHBondContact OE1-CE 3.06Å
290E77.7Confident73.5Confident89 Ų8968.2 Ų68.242%0.41638%0.38SS..Hα-helixtrans-62.6-48.2174.9-71.7174.6-177.700112E286 R287 A292 A293 E294E286-E290 WeakPolarHBondContact O-CG 3.31Å; E286-E290 PolarHBondContact O-N 3.06Å; R287-E290 VanDerWaalsContact CD-OE2 3.29Å; R287-E290 WeakPolarHBondContact CD-OE2 3.26Å; R287-E290 IonicContact CZ-OE2 2.85Å; R287-E290 IonicContact NE-OE2 3.74Å; R287-E290 IonicContact NH1-OE2 2.74Å; R287-E290 PolarHBondContact NH1-OE2 3.09Å; R287-E290 PolarHBondContact O-N 2.9Å; E290-A292 VanDerWaalsContact C-N 3.29Å; E290-A292 PolarHBondContact O-N 3.23Å; E290-A293 WeakPolarHBondContact O-CB 3.42Å; E290-A293 PolarHBondContact O-N 2.81Å; E290-A293 VanDerWaalsContact O-N 3.08Å; E290-E294 WeakPolarHBondContact O-CG 3.48Å; E290-E294 PolarHBondContact O-N 3.21Å
291I73.6Confident70.5Confident32 Ų3271.1 Ų71.116%0.16441%0.412CS..Hα-helixtrans-59.2-43.4177.2-68165.8000110.5L212 R287 A293 E294 E295L212-I291 HydrophobicContact CD1-CD1 4.16Å; L212-I291 HydrophobicContact CD2-CD1 3.88Å; L212-I291 HydrophobicContact CG-CD1 3.92Å; R287-I291 HydrophobicContact CG-CD1 4.14Å; R287-I291 VanDerWaalsContact O-CG1 3.31Å; R287-I291 WeakPolarHBondContact O-CG1 3.49Å; R287-I291 PolarHBondContact O-N 3.09Å; I291-A293 VanDerWaalsContact C-N 3.29Å; I291-A293 PolarHBondContact O-N 3.5Å; I291-E294 PolarHBondContact O-N 3.42Å; I291-E295 HydrophobicContact CG2-CG 4.48Å; I291-E295 WeakPolarHBondContact O-CB 3.45Å; I291-E295 WeakPolarHBondContact O-CG 3.42Å; I291-E295 PolarHBondContact O-N 3.02Å
292A73.5Confident67.6Low29 Ų2971.7 Ų71.724%0.2443%0.428CS..Hα-helixtrans-62.7-35.817700000112.6L288 E289 E290 A296 R313L288-A292 WeakPolarHBondContact O-CB 3.34Å; L288-A292 PolarHBondContact O-N 3.37Å; L288-A292 VanDerWaalsContact O-N 3.14Å; E289-A292 PolarHBondContact O-N 2.89Å; E290-A292 VanDerWaalsContact C-N 3.29Å; E290-A292 PolarHBondContact O-N 3.23Å; A292-A296 WeakPolarHBondContact O-CB 3.33Å; A292-A296 PolarHBondContact O-N 3.46Å; A292-R313 VanDerWaalsContact CB-O 3.26Å; A292-R313 WeakPolarHBondContact CB-O 3.29Å
293A74.4Confident64.8Low60 Ų6071.6 Ų71.650%0.49645%0.445SS..Hα-helixtrans-73-41.9176.400000112.5E289 E290 I291 A296 A297E289-A293 WeakPolarHBondContact O-CB 3.21Å; E289-A293 PolarHBondContact O-N 2.99Å; E290-A293 WeakPolarHBondContact O-CB 3.42Å; E290-A293 PolarHBondContact O-N 2.81Å; E290-A293 VanDerWaalsContact O-N 3.08Å; I291-A293 VanDerWaalsContact C-N 3.29Å; I291-A293 PolarHBondContact O-N 3.5Å; A293-A296 PolarHBondContact O-N 3.13Å; A293-A297 WeakPolarHBondContact O-CB 3.36Å; A293-A297 PolarHBondContact O-N 3.12Å
294E71.6Confident62.1Low106 Ų10672 Ų7250%0.49546%0.46SS..Hα-helixtrans-60.8-45.9175.8-72.7171.4-157.400111R287 E290 I291 A296 A297R287-E294 IonicContact CZ-OE1 3.36Å; R287-E294 IonicContact NH1-OE1 3.71Å; R287-E294 PolarHBondContact NH1-OE1 3.33Å; R287-E294 VanDerWaalsContact NH1-OE1 3.07Å; R287-E294 IonicContact NH2-OE1 3.14Å; R287-E294 IonicContact NH2-OE2 3.18Å; E290-E294 WeakPolarHBondContact O-CG 3.48Å; E290-E294 PolarHBondContact O-N 3.21Å; I291-E294 PolarHBondContact O-N 3.42Å; E294-A296 VanDerWaalsContact C-N 3.33Å; E294-A296 PolarHBondContact O-N 2.96Å; E294-A297 PolarHBondContact O-N 3.43Å
295E68.2Low59.6Low37 Ų3777.2 Ų77.217%0.17350%0.495CS..Hα-helixtrans-64.8-35.8176.4-72-177.3-168.200112.4I291 A297 R313I291-E295 HydrophobicContact CG2-CG 4.48Å; I291-E295 WeakPolarHBondContact O-CB 3.45Å; I291-E295 WeakPolarHBondContact O-CG 3.42Å; I291-E295 PolarHBondContact O-N 3.02Å; E295-A297 VanDerWaalsContact C-N 3.34Å; E295-R313 IonicContact OE1-CZ 2.64Å; E295-R313 IonicContact OE1-NE 2.89Å; E295-R313 IonicContact OE1-NH1 3.87Å; E295-R313 PolarHBondContact OE1-NH1 3.17Å; E295-R313 WeakPolarHBondContact OE2-CB 3.22Å; E295-R313 WeakPolarHBondContact OE2-CD 3.26Å; E295-R313 IonicContact OE2-NE 2.93Å
296A62.3Low57.3Low68 Ų6881 Ų8156%0.56252%0.515SS*.Hα-helixtrans-74-22.9176.700000113.7A292 A293 E294A292-A296 WeakPolarHBondContact O-CB 3.33Å; A292-A296 PolarHBondContact O-N 3.46Å; A293-A296 PolarHBondContact O-N 3.13Å; E294-A296 VanDerWaalsContact C-N 3.33Å; E294-A296 PolarHBondContact O-N 2.96Å
297A59.9Low55Low79 Ų7985.8 Ų85.865%0.65354%0.54SS*.Hα-helixtrans-85.4-7.8-179.600000113.9A293 E294 E295A293-A297 WeakPolarHBondContact O-CB 3.36Å; A293-A297 PolarHBondContact O-N 3.12Å; E294-A297 PolarHBondContact O-N 3.43Å; E295-A297 VanDerWaalsContact C-N 3.34Å
298L51.3Low53Low119 Ų11990.5 Ų90.562%0.62357%0.567SS**SBendtrans-62.5122.5175.7-73167.7000109.9V300L298-V300 PolarHBondContact O-N 3.49Å
299P40.3Very low51.4Low106 Ų10691.9 Ų91.969%0.68858%0.58SS**  trans-65.8125.7-176.224.8-31.6000110.1G301P299-G301 PolarHBondContact O-N 3.3Å
300V40.8Very low49.9Very low152 Ų15289.1 Ų89.192%0.92157%0.57SS**SBendtrans-66.37.8170.7-175.90000112L298L298-V300 PolarHBondContact O-N 3.49Å
301G29.7Very low48.7Very low67 Ų6788.7 Ų88.769%0.69158%0.576SS**  trans-124.988.4-17400000112.4P299P299-G301 PolarHBondContact O-N 3.3Å
302G28.8Very low48.1Very low57 Ų5787.7 Ų87.759%0.58857%0.573SS**SBendtrans170.575.2171.500000111.1C304G302-C304 VanDerWaalsContact C-N 3.33Å; G302-C304 PolarHBondContact O-N 3.3Å; G302-C304 PolarHBondContact O-SG 3.04Å
303A29.3Very low47.9Very low101 Ų10190.3 Ų90.384%0.83558%0.577SS**  trans17.165.6168.700000116.2T305A303-T305 PolarHBondContact O-N 3.44Å
304C29.6Very low48Very low93 Ų9390.8 Ų90.863%0.62857%0.57SS**  trans-79.5101.5169-65.60000107.9G302 N306G302-C304 VanDerWaalsContact C-N 3.33Å; G302-C304 PolarHBondContact O-N 3.3Å; G302-C304 PolarHBondContact O-SG 3.04Å; C304-N306 PolarHBondContact O-N 3.41Å; C304-N306 VanDerWaalsContact O-N 3.1Å
305T33.1Very low48.1Very low136 Ų13687.3 Ų87.383%0.83456%0.558SS**  trans-7419.6171.746.60000113.7A303A303-T305 PolarHBondContact O-N 3.44Å
306N33.8Very low48.7Very low133 Ų13385.6 Ų85.671%0.71155%0.55SS**SBendtrans-122.1115.7171.6-77.4-15.5000109.1C304 D308C304-N306 PolarHBondContact O-N 3.41Å; C304-N306 VanDerWaalsContact O-N 3.1Å; N306-D308 PolarHBondContact O-N 2.89Å
307M34.4Very low49.7Very low186 Ų18685 Ų8592%0.91654%0.537SS*.SBendtrans-6617.6-170.8-80.3-138.1-133.500116.8
308D42.3Very low50.9Low123 Ų12382.6 Ų82.666%0.65851%0.511SS*.  trans-129.835.7-170.3-74.9-35.8000114.4N306 C310N306-D308 PolarHBondContact O-N 2.89Å; D308-C310 PolarHBondContact O-N 3.48Å
309S46.5Very low52.5Low65 Ų6580.3 Ų80.346%0.45549%0.494SS..  trans-80.3111.9174.4-62.80000111.4P356S309-P356 WeakPolarHBondContact O-CD 3.37Å; S309-P356 WeakPolarHBondContact O-CG 3.46Å
310C47.7Very low54.7Low33 Ų3375.3 Ų75.322%0.22346%0.462CS..  trans-61128176.7-173.10000111.8D308 G312 L355D308-C310 PolarHBondContact O-N 3.48Å; C310-G312 PolarHBondContact SG-O 3.26Å; C310-L355 HydrophobicContact CB-CD2 3.86Å
311C51.6Low56.9Low81 Ų8169.8 Ų69.855%0.54743%0.43SS..SBendtrans-88.1-1.5179.4-570000113.6L354C311-L354 WeakPolarHBondContact CA-O 3.29Å; C311-L354 WeakPolarHBondContact CB-O 3.49Å; C311-L354 PolarHBondContact N-O 3.48Å
312G60.7Low59.7Low10 Ų1067.9 Ų67.910%0.10341%0.405CS..EExtended strand (participates in β ladder)trans159.3145.5173.800000113C310 L354C310-G312 PolarHBondContact SG-O 3.26Å; G312-L354 PolarHBondContact N-O 3.27Å; G312-L354 WeakPolarHBondContact O-CB 3.4Å; G312-L354 PolarHBondContact O-N 2.93Å
313R70.1Confident62.4Low85 Ų8571.5 Ų71.532%0.32140%0.401SS..EExtended strand (participates in β ladder)trans-125.6132.5-177-173.4179.4-98.3173.8-12.6111.2A292 E295 I351 I352 S353A292-R313 VanDerWaalsContact CB-O 3.26Å; A292-R313 WeakPolarHBondContact CB-O 3.29Å; E295-R313 IonicContact OE1-CZ 2.64Å; E295-R313 IonicContact OE1-NE 2.89Å; E295-R313 IonicContact OE1-NH1 3.87Å; E295-R313 PolarHBondContact OE1-NH1 3.17Å; E295-R313 WeakPolarHBondContact OE2-CB 3.22Å; E295-R313 WeakPolarHBondContact OE2-CD 3.26Å; E295-R313 IonicContact OE2-NE 2.93Å; R313-I351 HydrophobicContact CG-CG2 3.18Å; R313-I352 CarbonylContact C-O 3.43Å; R313-I352 VanDerWaalsContact CA-O 3.24Å; R313-I352 WeakPolarHBondContact CA-O 3.5Å; R313-S353 PolarHBondContact NE-OG 3.12Å
314I75.6Confident65Low69 Ų6966.9 Ų66.935%0.35436%0.362SS..EExtended strand (participates in β ladder)trans-124.3121.8-174.8-56170.1000108.9I352 L354I314-I352 HydrophobicContact CB-CB 4.27Å; I314-I352 HydrophobicContact CB-CD1 4.39Å; I314-I352 HydrophobicContact CG2-CD1 4.41Å; I314-I352 PolarHBondContact N-O 3.37Å; I314-I352 PolarHBondContact O-N 2.67Å; I314-L354 HydrophobicContact CD1-CD1 4.4Å
315S73.9Confident67.4Low34 Ų3468.7 Ų68.724%0.23836%0.361CS..EExtended strand (participates in β ladder)trans-77.1127.6168.2-179.70000110.1
316A81.5Confident69.5Low1 Ų168.8 Ų68.81%0.00836%0.357CS..EExtended strand (participates in β ladder)trans-143.8166.3-179.600000111.9V350 I352 F391 L420 G421A316-V350 HydrophobicContact CB-CG2 4.17Å; A316-V350 PolarHBondContact N-O 3.25Å; A316-V350 WeakPolarHBondContact O-CG2 3.43Å; A316-V350 PolarHBondContact O-N 3.41Å; A316-V350 VanDerWaalsContact O-O 3.1Å; A316-I352 HydrophobicContact CB-CD1 3.62Å; A316-I352 HydrophobicContact CB-CG1 4.37Å; A316-F391 HydrophobicContact CB-CE1 4.49Å; A316-F391 HydrophobicContact CB-CZ 4.46Å; A316-L420 HydrophobicContact CB-CB 4.23Å; A316-L420 HydrophobicContact CB-CD2 4.14Å; A316-G421 CarbonylContact C-O 3.46Å; A316-G421 WeakPolarHBondContact CA-O 3.29Å
317I82.6Confident71.7Confident54 Ų5464.6 Ų64.628%0.27734%0.338SS..EExtended strand (participates in β ladder)trans-101.9111.7168.9-59.3174.9000107.6R319 R348 L420 G421 T423I317-R319 HydrophobicContact CG2-CG 4.45Å; I317-R319 PolarHBondContact O-N 3.26Å; I317-R348 CarbonylContact C-O 3.48Å; I317-L420 CarbonylContact O-C 3.6Å; I317-L420 WeakPolarHBondContact O-CA 3.49Å; I317-G421 PolarHBondContact N-O 2.92Å; I317-G421 PolarHBondContact O-N 2.93Å; I317-T423 HydrophobicContact CD1-CG2 4.22Å; I317-T423 HydrophobicContact CG1-CG2 4.28Å
318Y86.2Confident73.9Confident29 Ų2958.7 Ų58.711%0.11432%0.319CS..EExtended strand (participates in β ladder)trans-67.8120.9168.6178.5-112.1000109.5G320 S321 S347 R348 L370 F371 A418 L420Y318-G320 WeakPolarHBondContact CE2-O 3.25Å; Y318-G320 VanDerWaalsContact CZ-C 3.43Å; Y318-G320 VanDerWaalsContact CZ-CA 3.43Å; Y318-G320 VanDerWaalsContact OH-C 3.24Å; Y318-S321 VanDerWaalsContact OH-CB 3.32Å; Y318-S321 WeakPolarHBondContact OH-CB 3.23Å; Y318-S321 PolarHBondContact OH-N 2.88Å; Y318-S321 PolarHBondContact OH-OG 3.19Å; Y318-S347 CarbonylContact O-C 3.55Å; Y318-S347 VanDerWaalsContact O-CA 3.23Å; Y318-S347 WeakPolarHBondContact O-CA 3.24Å; Y318-R348 PolarHBondContact N-O 3.33Å; Y318-R348 PolarHBondContact O-N 3.25Å; Y318-L370 HydrophobicContact CD1-CD1 3.95Å; Y318-L370 HydrophobicContact CE1-CD1 4.41Å; Y318-L370 HydrophobicContact CG-CD1 4.09Å; Y318-F371 HydrophobicContact CD2-CE1 4.07Å; Y318-F371 HydrophobicContact CD2-CZ 4.18Å; Y318-F371 AromaticContact CE2-CE1 3.62Å; Y318-F371 HydrophobicContact CE2-CE1 3.62Å; Y318-F371 HydrophobicContact CE2-CZ 4.01Å; Y318-A418 HydrophobicContact CE2-CB 4.37Å; Y318-L420 HydrophobicContact CD2-CD2 4.06Å
319R83.8Confident75.7Confident72 Ų7255.8 Ų55.827%0.27231%0.308SS..EExtended strand (participates in β ladder)trans-101.6-10.9-178.7-67.5-171.7175.4-109.2-1.2113.5I317 I340 M345 N390 V419I317-R319 HydrophobicContact CG2-CG 4.45Å; I317-R319 PolarHBondContact O-N 3.26Å; R319-I340 HydrophobicContact CB-CG2 3.7Å; R319-I340 WeakPolarHBondContact O-CG2 3.31Å; R319-M345 PolarHBondContact O-N 3.44Å; R319-N390 WeakPolarHBondContact CD-OD1 3.33Å; R319-N390 PolarHBondContact NE-OD1 2.84Å; R319-V419 HydrophobicContact CB-CG1 4.43Å; R319-V419 PolarHBondContact N-O 3.31Å
320G86.8Confident77.3Confident0 Ų060.4 Ų60.40%032%0.322CS..EExtended strand (participates in β ladder)trans131.4-178.6-17900000113.2Y318 V419Y318-G320 WeakPolarHBondContact CE2-O 3.25Å; Y318-G320 VanDerWaalsContact CZ-C 3.43Å; Y318-G320 VanDerWaalsContact CZ-CA 3.43Å; Y318-G320 VanDerWaalsContact OH-C 3.24Å; G320-V419 PolarHBondContact O-N 3.31Å
321S87.7Confident78.9Confident36 Ų3663.7 Ų63.725%0.25234%0.338SS..EExtended strand (participates in β ladder)trans-137.3142.3178.161.60000111Y318 A417Y318-S321 VanDerWaalsContact OH-CB 3.32Å; Y318-S321 WeakPolarHBondContact OH-CB 3.23Å; Y318-S321 PolarHBondContact OH-N 2.88Å; Y318-S321 PolarHBondContact OH-OG 3.19Å; S321-A417 CarbonylContact C-O 3.59Å; S321-A417 WeakPolarHBondContact CA-O 3.46Å
322T86.9Confident80.4Confident27 Ų2760.1 Ų60.117%0.16631%0.313CS..EExtended strand (participates in β ladder)trans-131.9151.4177.9-1790000111V324 R339 I340 L416 A417T322-V324 HydrophobicContact CG2-CG1 4.23Å; T322-R339 HydrophobicContact CG2-CB 4.24Å; T322-I340 HydrophobicContact CG2-CD1 4.34Å; T322-I340 HydrophobicContact CG2-CG1 4.01Å; T322-L416 WeakPolarHBondContact O-CA 3.31Å; T322-A417 HydrophobicContact CG2-CB 4.35Å; T322-A417 PolarHBondContact N-O 2.85Å; T322-A417 PolarHBondContact O-N 3.31Å
323R85.9Confident81.5Confident134 Ų13460.5 Ų60.551%0.50631%0.312SS..EExtended strand (participates in β ladder)trans-69135.5165.6-165.2176-176.5159.89109.2R339 R412 E413 W415R323-R339 PolarHBondContact O-NH1 3.43Å; R323-R412 PolarHBondContact NH2-O 3.09Å; R323-E413 PolarHBondContact NH2-O 3.39Å; R323-W415 CarbonylContact C-O 3.6Å; R323-W415 WeakPolarHBondContact CA-O 3.37Å
324V84.7Confident82.1Confident4 Ų457.1 Ų57.12%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-118154172.4-61.30000109.5T322 Q332 V394 W415 A417T322-V324 HydrophobicContact CG2-CG1 4.23Å; V324-Q332 HydrophobicContact CB-CB 4.45Å; V324-Q332 HydrophobicContact CG2-CB 4.04Å; V324-Q332 HydrophobicContact CG2-CG 4.22Å; V324-V394 HydrophobicContact CG2-CG1 3.82Å; V324-W415 HydrophobicContact CG2-CB 3.45Å; V324-W415 VanDerWaalsContact CG2-CB 3.45Å; V324-W415 PolarHBondContact N-O 3.44Å; V324-A417 HydrophobicContact CG1-CB 3.73Å
325E79.7Confident82.6Confident131 Ų13155.5 Ų55.561%0.61230%0.299SS*.  trans-77.3163.5-178.9-73.9165.7-140.900110.9S327 Q332 R339E325-S327 PolarHBondContact O-N 3.05Å; E325-S327 VanDerWaalsContact O-N 3.09Å; E325-Q332 WeakPolarHBondContact O-CG 3.39Å; E325-Q332 PolarHBondContact O-NE2 3.34Å; E325-R339 IonicContact OE1-NH2 3.76Å; E325-R339 PolarHBondContact OE1-NH2 2.87Å
326D77.9Confident83.1Confident137 Ų13753.9 Ų53.973%0.73329%0.288SS*.SBendtrans-78.493.3174.9-160.424.5000108.4W415D326-W415 PolarHBondContact OD1-NE1 3.11Å
327S78.7Confident83.3Confident46 Ų4653.9 Ų53.932%0.32229%0.288SS..SBendtrans-142.6-179.7-176.364.30000110.1E325 Q332E325-S327 PolarHBondContact O-N 3.05Å; E325-S327 VanDerWaalsContact O-N 3.09Å; S327-Q332 PolarHBondContact O-NE2 3.39Å; S327-Q332 WeakPolarHBondContact OG-CG 3.49Å
328A80.4Confident83.4Confident62 Ų6254.8 Ų54.851%0.51229%0.293SS..  trans-56.2145.7174.500000111E330 D331 Q332A328-E330 PolarHBondContact O-N 3.3Å; A328-E330 VanDerWaalsContact O-N 3.15Å; A328-D331 WeakPolarHBondContact O-CB 3.4Å; A328-D331 PolarHBondContact O-N 3.28Å; A328-Q332 PolarHBondContact O-N 2.69Å
329S80.6Confident83.4Confident61 Ų6158.3 Ų58.343%0.42731%0.306SS..Hα-helixtrans-54.5-37.1-174.951.20000113.6Q332 L333S329-Q332 PolarHBondContact O-N 2.81Å; S329-L333 WeakPolarHBondContact O-CB 3.42Å; S329-L333 WeakPolarHBondContact O-CG 3.41Å; S329-L333 PolarHBondContact O-N 3.09Å
330E79.5Confident83.5Confident162 Ų16255.2 Ų55.276%0.75729%0.294SS*.Hα-helixtrans-64-41.7176-65.2-169.8163.300112.3A328 G334A328-E330 PolarHBondContact O-N 3.3Å; A328-E330 VanDerWaalsContact O-N 3.15Å; E330-G334 PolarHBondContact O-N 3Å
331D82.4Confident83.3Confident102 Ų10258 Ų5855%0.54531%0.309SS..Hα-helixtrans-69.7-39.3178-67.5-33.8000111.3A328 G334 S335A328-D331 WeakPolarHBondContact O-CB 3.4Å; A328-D331 PolarHBondContact O-N 3.28Å; D331-G334 PolarHBondContact O-N 3.14Å; D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 2.74Å; D331-S335 PolarHBondContact O-OG 2.94Å
332Q83.6Confident83.1Confident6 Ų662.9 Ų62.93%0.02833%0.332CS..Hα-helixtrans-60.7-51175.6-68.2-175.9-33.500111.2V324 E325 S327 A328 S329 S335 G336 V394V324-Q332 HydrophobicContact CB-CB 4.45Å; V324-Q332 HydrophobicContact CG2-CB 4.04Å; V324-Q332 HydrophobicContact CG2-CG 4.22Å; E325-Q332 WeakPolarHBondContact O-CG 3.39Å; E325-Q332 PolarHBondContact O-NE2 3.34Å; S327-Q332 PolarHBondContact O-NE2 3.39Å; S327-Q332 WeakPolarHBondContact OG-CG 3.49Å; A328-Q332 PolarHBondContact O-N 2.69Å; S329-Q332 PolarHBondContact O-N 2.81Å; Q332-S335 PolarHBondContact O-OG 3.24Å; Q332-G336 PolarHBondContact O-N 3.36Å; Q332-V394 HydrophobicContact CB-CG2 4.19Å
333L83Confident82.8Confident18 Ų1865.8 Ų65.89%0.09435%0.353CS..Hα-helixtrans-64.7-45.8177.9-74.2167.8000111.5S329 G336 I337 C380 A392 V394S329-L333 WeakPolarHBondContact O-CB 3.42Å; S329-L333 WeakPolarHBondContact O-CG 3.41Å; S329-L333 PolarHBondContact O-N 3.09Å; L333-G336 PolarHBondContact O-N 3.36Å; L333-I337 WeakPolarHBondContact O-CB 3.47Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.25Å; L333-I337 PolarHBondContact O-N 3.3Å; L333-C380 HydrophobicContact CD1-CB 4.22Å; L333-A392 HydrophobicContact CD2-CB 3.93Å; L333-A392 WeakPolarHBondContact CD2-O 3.38Å; L333-V394 HydrophobicContact CD2-CG2 3.83Å; L333-V394 HydrophobicContact CG-CG2 4.17Å
334G83.3Confident81.9Confident15 Ų1563.2 Ų63.216%0.15535%0.354CS..Hα-helixtrans-61.3-47.8-178.200000112.6E330 D331 L338 R384E330-G334 PolarHBondContact O-N 3Å; D331-G334 PolarHBondContact O-N 3.14Å; G334-L338 WeakPolarHBondContact O-CB 3.36Å; G334-L338 PolarHBondContact O-N 3.44Å; G334-L338 VanDerWaalsContact O-N 3.15Å; G334-R384 PolarHBondContact O-NH1 3.28Å
335S84.9Confident81.2Confident35 Ų3568.1 Ų68.125%0.24538%0.378CS..Hα-helixtrans-70.1-41.3178.464.40000112.2D331 Q332 L338 R339D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 2.74Å; D331-S335 PolarHBondContact O-OG 2.94Å; Q332-S335 PolarHBondContact O-OG 3.24Å; S335-L338 PolarHBondContact O-N 2.9Å; S335-R339 WeakPolarHBondContact O-CB 3.48Å; S335-R339 WeakPolarHBondContact O-CG 3.02Å; S335-R339 PolarHBondContact O-N 3.43Å
336G85.5Confident80.7Confident0 Ų068.8 Ų68.80%038%0.381CS..Hα-helixtrans-61.9-49178.400000112.6Q332 L333 L338 R339 I340Q332-G336 PolarHBondContact O-N 3.36Å; L333-G336 PolarHBondContact O-N 3.36Å; G336-L338 VanDerWaalsContact C-N 3.34Å; G336-L338 PolarHBondContact O-N 3.24Å; G336-R339 PolarHBondContact O-N 3.18Å; G336-I340 PolarHBondContact O-N 2.91Å
337I84.6Confident80.8Confident0 Ų065.1 Ų65.10%037%0.366CS..Hα-helixtrans-62.3-43.2176.7-66.4173.5000110.6L333 L341 R384 N390 A392 V419L333-I337 WeakPolarHBondContact O-CB 3.47Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.25Å; L333-I337 PolarHBondContact O-N 3.3Å; I337-L341 HydrophobicContact CG2-CD1 3.66Å; I337-L341 HydrophobicContact CG2-CG 4.22Å; I337-L341 WeakPolarHBondContact O-CB 3.28Å; I337-L341 VanDerWaalsContact O-CG 3.23Å; I337-L341 WeakPolarHBondContact O-CG 3.44Å; I337-L341 PolarHBondContact O-N 3.23Å; I337-R384 HydrophobicContact CB-CG 4.36Å; I337-R384 HydrophobicContact CD1-CG 4.24Å; I337-R384 HydrophobicContact CG2-CG 4.38Å; I337-N390 HydrophobicContact CG2-CB 4.32Å; I337-A392 HydrophobicContact CD1-CB 3.81Å; I337-A392 HydrophobicContact CG1-CB 3.55Å; I337-V419 HydrophobicContact CG1-CG1 4.37Å; I337-V419 HydrophobicContact CG1-CG2 4.16Å; I337-V419 HydrophobicContact CG2-CG1 4.49Å
338L85.9Confident80.9Confident73 Ų7367.6 Ų67.638%0.38237%0.368SS..Hα-helixtrans-63-45.7179.9-171.365.8000112.2G334 S335 G336 I340 L341 L342G334-L338 WeakPolarHBondContact O-CB 3.36Å; G334-L338 PolarHBondContact O-N 3.44Å; G334-L338 VanDerWaalsContact O-N 3.15Å; S335-L338 PolarHBondContact O-N 2.9Å; G336-L338 VanDerWaalsContact C-N 3.34Å; G336-L338 PolarHBondContact O-N 3.24Å; L338-I340 PolarHBondContact O-N 3.03Å; L338-L341 PolarHBondContact O-N 2.61Å; L338-L342 HydrophobicContact CD1-CD1 4.31Å; L338-L342 HydrophobicContact CD1-CG 4.41Å; L338-L342 HydrophobicContact CG-CD1 3.91Å; L338-L342 HydrophobicContact CG-CG 4.4Å; L338-L342 WeakPolarHBondContact O-CB 3.37Å; L338-L342 VanDerWaalsContact O-CG 3.32Å; L338-L342 WeakPolarHBondContact O-CG 3.48Å; L338-L342 PolarHBondContact O-N 2.92Å
339R85.8Confident80.8Confident103 Ų10366.6 Ų66.639%0.38935%0.351SS..Hα-helixtrans-58.8-46-179.9-76.9178.3-169.1178.31.4111.7T322 R323 E325 S335 G336 L342 S343T322-R339 HydrophobicContact CG2-CB 4.24Å; R323-R339 PolarHBondContact O-NH1 3.43Å; E325-R339 IonicContact OE1-NH2 3.76Å; E325-R339 PolarHBondContact OE1-NH2 2.87Å; S335-R339 WeakPolarHBondContact O-CB 3.48Å; S335-R339 WeakPolarHBondContact O-CG 3.02Å; S335-R339 PolarHBondContact O-N 3.43Å; G336-R339 PolarHBondContact O-N 3.18Å; R339-L342 PolarHBondContact O-N 3.04Å; R339-S343 PolarHBondContact O-N 3.45Å
340I85Confident80.9Confident7 Ų763.7 Ų63.74%0.03633%0.331CS..Hα-helixtrans-70.4-32.8178.3-63.9-62.7000112.1R319 T322 G336 L338 S343 P344 M345 V419R319-I340 HydrophobicContact CB-CG2 3.7Å; R319-I340 WeakPolarHBondContact O-CG2 3.31Å; T322-I340 HydrophobicContact CG2-CD1 4.34Å; T322-I340 HydrophobicContact CG2-CG1 4.01Å; G336-I340 PolarHBondContact O-N 2.91Å; L338-I340 PolarHBondContact O-N 3.03Å; I340-S343 CarbonylContact O-C 3.2Å; I340-P344 WeakPolarHBondContact O-CA 3.45Å; I340-P344 VanDerWaalsContact O-N 3.08Å; I340-M345 HydrophobicContact CD1-CG 4.43Å; I340-M345 HydrophobicContact CD1-SD 4.44Å; I340-V419 HydrophobicContact CB-CB 4.15Å; I340-V419 HydrophobicContact CB-CG2 3.85Å; I340-V419 HydrophobicContact CG1-CB 4.31Å; I340-V419 HydrophobicContact CG1-CG2 3.72Å; I340-V419 HydrophobicContact CG2-CB 3.96Å; I340-V419 HydrophobicContact CG2-CG1 4.3Å; I340-V419 HydrophobicContact CG2-CG2 4.23Å
341L82.8Confident81Confident59 Ų5957.8 Ų57.831%0.30930%0.304SS..Hα-helixtrans-70.7-32.9175.6-71.7175.9000112.7I337 L338 S387I337-L341 HydrophobicContact CG2-CD1 3.66Å; I337-L341 HydrophobicContact CG2-CG 4.22Å; I337-L341 WeakPolarHBondContact O-CB 3.28Å; I337-L341 VanDerWaalsContact O-CG 3.23Å; I337-L341 WeakPolarHBondContact O-CG 3.44Å; I337-L341 PolarHBondContact O-N 3.23Å; L338-L341 PolarHBondContact O-N 2.61Å; L341-S387 WeakPolarHBondContact CD1-OG 3.3Å
342L85Confident81.1Confident138 Ų13853.1 Ų53.172%0.72328%0.279SS*.Hα-helixtrans-76.3-33.1176-70172.5000112.6L338 R339L338-L342 HydrophobicContact CD1-CD1 4.31Å; L338-L342 HydrophobicContact CD1-CG 4.41Å; L338-L342 HydrophobicContact CG-CD1 3.91Å; L338-L342 HydrophobicContact CG-CG 4.4Å; L338-L342 WeakPolarHBondContact O-CB 3.37Å; L338-L342 VanDerWaalsContact O-CG 3.32Å; L338-L342 WeakPolarHBondContact O-CG 3.48Å; L338-L342 PolarHBondContact O-N 2.92Å; R339-L342 PolarHBondContact O-N 3.04Å
343S78.9Confident81Confident88 Ų8853.2 Ų53.262%0.61528%0.28SS*.SBendtrans-132.179.3176.9-164.70000109.9R339 I340 M345R339-S343 PolarHBondContact O-N 3.45Å; I340-S343 CarbonylContact O-C 3.2Å; S343-M345 PolarHBondContact O-N 2.93Å
344P68.2Low81Confident80 Ų8055.1 Ų55.152%0.51929%0.29SS..  trans-64.8128-177.923.3-31000110.4I340I340-P344 WeakPolarHBondContact O-CA 3.45Å; I340-P344 VanDerWaalsContact O-N 3.08Å
345M69.7Low80.7Confident107 Ų10755.6 Ų55.653%0.52729%0.289SS..  trans-76.5172.7167.6-58.3-174.692.400109.5R319 I340 S343 S347R319-M345 PolarHBondContact O-N 3.44Å; I340-M345 HydrophobicContact CD1-CG 4.43Å; I340-M345 HydrophobicContact CD1-SD 4.44Å; S343-M345 PolarHBondContact O-N 2.93Å; M345-S347 PolarHBondContact O-N 3.38Å
346Q69.6Low80.2Confident145 Ų14557.1 Ų57.168%0.67830%0.298SS*.  trans-52.5114176.8-165.7179.838.900110
347S80.7Confident79.8Confident60 Ų6061.8 Ų61.842%0.4233%0.327SS..  trans-76.4133.2-176-65.10000110Y318 M345Y318-S347 CarbonylContact O-C 3.55Å; Y318-S347 VanDerWaalsContact O-CA 3.23Å; Y318-S347 WeakPolarHBondContact O-CA 3.24Å; M345-S347 PolarHBondContact O-N 3.38Å
348R80.3Confident79.9Confident99 Ų9964.1 Ų64.137%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-128139.7179.9-62.3-177.1-177-178.9-0.3110.1I317 Y318 V350I317-R348 CarbonylContact C-O 3.48Å; Y318-R348 PolarHBondContact N-O 3.33Å; Y318-R348 PolarHBondContact O-N 3.25Å; R348-V350 HydrophobicContact CB-CG1 4.45Å
349R78.8Confident79.8Confident40 Ų4061.1 Ų61.115%0.15132%0.322CS..EExtended strand (participates in β ladder)trans-76.9130.1171.5-68-175.9-59.7171.39109.2N258 D260 V364 D365N258-R349 PolarHBondContact O-NE 2.77Å; N258-R349 VanDerWaalsContact O-NE 3.12Å; N258-R349 PolarHBondContact O-NH2 3.49Å; D260-R349 VanDerWaalsContact CG-NH1 3.26Å; D260-R349 IonicContact OD1-CZ 3.74Å; D260-R349 IonicContact OD1-NH1 3.4Å; D260-R349 PolarHBondContact OD1-NH1 3.2Å; D260-R349 IonicContact OD2-CZ 2.73Å; D260-R349 IonicContact OD2-NH1 3.87Å; D260-R349 PolarHBondContact OD2-NH1 2.85Å; R349-V364 HydrophobicContact CB-CB 4.21Å; R349-V364 HydrophobicContact CB-CG2 3.96Å; R349-V364 PolarHBondContact O-N 3.39Å; R349-D365 IonicContact CZ-OD1 3.54Å; R349-D365 IonicContact NH2-OD1 2.71Å; R349-D365 PolarHBondContact NH2-OD1 2.75Å; R349-D365 VanDerWaalsContact NH2-OD1 3.08Å
350V81.8Confident79.8Confident0 Ų056.2 Ų56.20%030%0.303CS..EExtended strand (participates in β ladder)trans-134.9150.8-174.1-60.50000112.1A316 R348 I352 V361 R362 L370 L420A316-V350 HydrophobicContact CB-CG2 4.17Å; A316-V350 PolarHBondContact N-O 3.25Å; A316-V350 WeakPolarHBondContact O-CG2 3.43Å; A316-V350 PolarHBondContact O-N 3.41Å; A316-V350 VanDerWaalsContact O-O 3.1Å; R348-V350 HydrophobicContact CB-CG1 4.45Å; V350-I352 HydrophobicContact CG2-CG1 4.41Å; V350-V361 HydrophobicContact CB-CG1 3.62Å; V350-V361 HydrophobicContact CG1-CG1 3.96Å; V350-V361 HydrophobicContact CG2-CG1 3.72Å; V350-R362 CarbonylContact C-O 3.47Å; V350-R362 WeakPolarHBondContact CA-O 3.42Å; V350-R362 VanDerWaalsContact CB-O 3.32Å; V350-R362 WeakPolarHBondContact CB-O 3.45Å; V350-L370 HydrophobicContact CG1-CD1 3.49Å; V350-L370 VanDerWaalsContact CG1-CD1 3.49Å; V350-L420 HydrophobicContact CG2-CD2 3.64Å
351I80.4Confident79.9Confident38 Ų3855.9 Ų55.920%0.19530%0.302CS..EExtended strand (participates in β ladder)trans-105.1118.9169.4-65.1179.2000107.1R313 V361 R362 V364R313-I351 HydrophobicContact CG-CG2 3.18Å; I351-V361 WeakPolarHBondContact O-CA 3.48Å; I351-R362 PolarHBondContact N-O 2.98Å; I351-R362 PolarHBondContact O-N 2.9Å; I351-V364 HydrophobicContact CD1-CG2 4.24Å; I351-V364 HydrophobicContact CG1-CG2 3.77Å
352I84.7Confident79.7Confident5 Ų558.2 Ų58.23%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-95.2115.5173.4-53.7160.3000106.8R313 I314 A316 V350 L354 V359 S360 V361 F391 L420R313-I352 CarbonylContact C-O 3.43Å; R313-I352 VanDerWaalsContact CA-O 3.24Å; R313-I352 WeakPolarHBondContact CA-O 3.5Å; I314-I352 HydrophobicContact CB-CB 4.27Å; I314-I352 HydrophobicContact CB-CD1 4.39Å; I314-I352 HydrophobicContact CG2-CD1 4.41Å; I314-I352 PolarHBondContact N-O 3.37Å; I314-I352 PolarHBondContact O-N 2.67Å; A316-I352 HydrophobicContact CB-CD1 3.62Å; A316-I352 HydrophobicContact CB-CG1 4.37Å; V350-I352 HydrophobicContact CG2-CG1 4.41Å; I352-L354 HydrophobicContact CG2-CD2 4.35Å; I352-V359 HydrophobicContact CG2-CG1 3.63Å; I352-S360 CarbonylContact C-O 3.58Å; I352-S360 WeakPolarHBondContact CA-O 3.3Å; I352-V361 HydrophobicContact CB-CG2 4.29Å; I352-V361 HydrophobicContact CG1-CG1 4.36Å; I352-V361 HydrophobicContact CG1-CG2 3.9Å; I352-V361 HydrophobicContact CG2-CG2 4.08Å; I352-F391 HydrophobicContact CD1-CE2 4.07Å; I352-F391 HydrophobicContact CD1-CZ 3.5Å; I352-F391 VanDerWaalsContact CD1-CZ 3.5Å; I352-L420 HydrophobicContact CD1-CD1 3.64Å; I352-L420 HydrophobicContact CD1-CD2 4.1Å; I352-L420 HydrophobicContact CD1-CG 4.29Å; I352-L420 HydrophobicContact CG1-CD1 4.3Å; I352-L420 HydrophobicContact CG1-CD2 4.44Å
353S82.2Confident79.4Confident7 Ų752 Ų525%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-104.2120174.9-53.80000108.8R313 L355 S360R313-S353 PolarHBondContact NE-OG 3.12Å; S353-L355 PolarHBondContact O-N 3.36Å; S353-S360 PolarHBondContact N-O 3.16Å; S353-S360 PolarHBondContact O-N 3.41Å
354L82.2Confident79.1Confident58 Ų5850.7 Ų50.730%0.30426%0.262SS..EExtended strand (participates in β ladder)trans-87.297.2173.2-57.7178.4000107.4C311 G312 I314 I352 V359C311-L354 WeakPolarHBondContact CA-O 3.29Å; C311-L354 WeakPolarHBondContact CB-O 3.49Å; C311-L354 PolarHBondContact N-O 3.48Å; G312-L354 PolarHBondContact N-O 3.27Å; G312-L354 WeakPolarHBondContact O-CB 3.4Å; G312-L354 PolarHBondContact O-N 2.93Å; I314-L354 HydrophobicContact CD1-CD1 4.4Å; I352-L354 HydrophobicContact CG2-CD2 4.35Å; L354-V359 HydrophobicContact CD2-CB 4.4Å; L354-V359 HydrophobicContact CD2-CG1 4.15Å; L354-V359 HydrophobicContact CD2-CG2 3.59Å
355L78Confident78.8Confident25 Ų2548.7 Ų48.713%0.13125%0.247CC..  trans-86.2166175.8-60.4170.6000109.6C310 S353 T357 K358 F375C310-L355 HydrophobicContact CB-CD2 3.86Å; S353-L355 PolarHBondContact O-N 3.36Å; L355-T357 PolarHBondContact O-N 3.29Å; L355-K358 CarbonylContact C-O 3.53Å; L355-K358 WeakPolarHBondContact CA-O 3.29Å; L355-K358 HydrophobicContact CB-CG 3.85Å; L355-K358 WeakPolarHBondContact CB-O 3.49Å; L355-K358 HydrophobicContact CD1-CD 4.2Å; L355-K358 HydrophobicContact CD1-CG 3.85Å; L355-K358 HydrophobicContact CG-CG 4.42Å; L355-K358 PolarHBondContact N-O 3.35Å; L355-K358 PolarHBondContact O-N 3.07Å; L355-K358 VanDerWaalsContact O-O 3.09Å; L355-F375 WeakPolarHBondContact O-CE2 3.36Å; L355-F375 WeakPolarHBondContact O-CZ 3.29Å
356P73.4Confident78.6Confident67 Ų6748.4 Ų48.444%0.43525%0.252SS..SBendtrans-58.4-28.7-173.1-27.636.6000114.6S309S309-P356 WeakPolarHBondContact O-CD 3.37Å; S309-P356 WeakPolarHBondContact O-CG 3.46Å
357T78.3Confident78.6Confident98 Ų9843.6 Ų43.660%0.60124%0.241SC*.SBendtrans-118.9-7.9-176.356.50000113.9L355 G374 F375L355-T357 PolarHBondContact O-N 3.29Å; T357-G374 WeakPolarHBondContact O-CA 3.38Å; T357-F375 WeakPolarHBondContact O-CD2 3.19Å; T357-F375 PolarHBondContact O-N 3.46Å
358K85.5Confident78.4Confident50 Ų5045.5 Ų45.522%0.21724%0.243CC..EExtended strand (participates in β ladder)trans-157.6158.5-167.165.1-167.1-172.5177.90113.1L355 E372 H373L355-K358 CarbonylContact C-O 3.53Å; L355-K358 WeakPolarHBondContact CA-O 3.29Å; L355-K358 HydrophobicContact CB-CG 3.85Å; L355-K358 WeakPolarHBondContact CB-O 3.49Å; L355-K358 HydrophobicContact CD1-CD 4.2Å; L355-K358 HydrophobicContact CD1-CG 3.85Å; L355-K358 HydrophobicContact CG-CG 4.42Å; L355-K358 PolarHBondContact N-O 3.35Å; L355-K358 PolarHBondContact O-N 3.07Å; L355-K358 VanDerWaalsContact O-O 3.09Å; K358-E372 HydrophobicContact CB-CG 4.48Å; K358-E372 HydrophobicContact CD-CG 3.82Å; K358-E372 VanDerWaalsContact CD-OE1 3.23Å; K358-E372 WeakPolarHBondContact CD-OE1 3.5Å; K358-E372 VanDerWaalsContact CE-CD 3.43Å; K358-E372 WeakPolarHBondContact CE-OE1 3.1Å; K358-E372 HydrophobicContact CG-CG 4.24Å; K358-E372 IonicContact NZ-OE1 3.49Å; K358-E372 PolarHBondContact NZ-OE1 2.99Å; K358-E372 IonicContact NZ-OE2 2.91Å; K358-H373 CarbonylContact C-O 3.57Å; K358-H373 WeakPolarHBondContact CA-O 3.49Å; K358-H373 VanDerWaalsContact CB-O 3.31Å; K358-H373 WeakPolarHBondContact CB-O 3.49Å
359V85.2Confident78.4Confident10 Ų1043.4 Ų43.46%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-102.7129.6167.3178.80000108.5I352 L354 V361 E372 H373 F375 I378I352-V359 HydrophobicContact CG2-CG1 3.63Å; L354-V359 HydrophobicContact CD2-CB 4.4Å; L354-V359 HydrophobicContact CD2-CG1 4.15Å; L354-V359 HydrophobicContact CD2-CG2 3.59Å; V359-V361 HydrophobicContact CG1-CG2 4.29Å; V359-E372 CarbonylContact O-C 3.55Å; V359-E372 VanDerWaalsContact O-CA 3.32Å; V359-E372 WeakPolarHBondContact O-CA 3.41Å; V359-H373 PolarHBondContact N-O 3.39Å; V359-H373 PolarHBondContact O-N 3.08Å; V359-F375 HydrophobicContact CG2-CD1 4.16Å; V359-F375 HydrophobicContact CG2-CE1 3.5Å; V359-F375 HydrophobicContact CG2-CZ 4.18Å; V359-I378 HydrophobicContact CB-CD1 4.36Å; V359-I378 HydrophobicContact CG2-CD1 3.86Å
360S85.2Confident78.6Confident0 Ų043.6 Ų43.60%025%0.245CC..EExtended strand (participates in β ladder)trans-117.8129.5175.9-166.60000109.4I352 S353 E372I352-S360 CarbonylContact C-O 3.58Å; I352-S360 WeakPolarHBondContact CA-O 3.3Å; S353-S360 PolarHBondContact N-O 3.16Å; S353-S360 PolarHBondContact O-N 3.41Å; S360-E372 PolarHBondContact OG-OE2 3.41Å; S360-E372 VanDerWaalsContact OG-OE2 3.1Å
361V86.6Confident78.7Confident0 Ų044.9 Ų44.90%025%0.251CS..EExtended strand (participates in β ladder)trans-117119.3177.8-178.50000109.3V350 I351 I352 V359 T369 L370 F371V350-V361 HydrophobicContact CB-CG1 3.62Å; V350-V361 HydrophobicContact CG1-CG1 3.96Å; V350-V361 HydrophobicContact CG2-CG1 3.72Å; I351-V361 WeakPolarHBondContact O-CA 3.48Å; I352-V361 HydrophobicContact CB-CG2 4.29Å; I352-V361 HydrophobicContact CG1-CG1 4.36Å; I352-V361 HydrophobicContact CG1-CG2 3.9Å; I352-V361 HydrophobicContact CG2-CG2 4.08Å; V359-V361 HydrophobicContact CG1-CG2 4.29Å; V361-T369 CarbonylContact O-C 3.48Å; V361-L370 HydrophobicContact CG1-CD1 4.34Å; V361-L370 PolarHBondContact O-N 3.14Å; V361-F371 HydrophobicContact CB-CD2 3.85Å; V361-F371 HydrophobicContact CB-CE1 4.43Å; V361-F371 HydrophobicContact CB-CE2 3.43Å; V361-F371 VanDerWaalsContact CB-CE2 3.43Å; V361-F371 HydrophobicContact CB-CZ 3.77Å; V361-F371 HydrophobicContact CG1-CE1 4.47Å; V361-F371 HydrophobicContact CG1-CE2 4.07Å; V361-F371 HydrophobicContact CG1-CZ 3.89Å; V361-F371 HydrophobicContact CG2-CD2 3.84Å; V361-F371 HydrophobicContact CG2-CE2 3.17Å; V361-F371 HydrophobicContact CG2-CZ 3.81Å; V361-F371 PolarHBondContact N-O 3.13Å
362R79.9Confident79Confident107 Ų10746.6 Ų46.640%0.40426%0.258SS..EExtended strand (participates in β ladder)trans-120.7144.3-176.5-60.7-176179.1-137.72.2111.1V350 I351 E368 T369V350-R362 CarbonylContact C-O 3.47Å; V350-R362 WeakPolarHBondContact CA-O 3.42Å; V350-R362 VanDerWaalsContact CB-O 3.32Å; V350-R362 WeakPolarHBondContact CB-O 3.45Å; I351-R362 PolarHBondContact N-O 2.98Å; I351-R362 PolarHBondContact O-N 2.9Å; R362-E368 CarbonylContact C-O 3.57Å; R362-E368 WeakPolarHBondContact CA-O 3.49Å; R362-T369 HydrophobicContact CG-CG2 4.45Å; R362-T369 PolarHBondContact NE-OG1 3.1Å
363T77.5Confident79.1Confident9 Ų947.5 Ų47.56%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-67.4140.317258.70000110.2D365 T366 G367 E368 L370T363-D365 VanDerWaalsContact C-N 3.31Å; T363-T366 PolarHBondContact OG1-OG1 3.38Å; T363-G367 WeakPolarHBondContact O-CA 3.46Å; T363-G367 PolarHBondContact O-N 3.43Å; T363-G367 VanDerWaalsContact O-N 3.11Å; T363-G367 PolarHBondContact OG1-N 2.93Å; T363-E368 PolarHBondContact N-O 2.86Å; T363-E368 PolarHBondContact OG1-N 3.42Å; T363-E368 VanDerWaalsContact OG1-N 3.11Å; T363-E368 PolarHBondContact OG1-O 3.13Å; T363-L370 HydrophobicContact CG2-CD1 4.18Å; T363-L370 HydrophobicContact CG2-CD2 3.69Å; T363-L370 HydrophobicContact CG2-CG 3.83Å
364V72.7Confident79.2Confident59 Ų5948 Ų4836%0.35827%0.269SS..THydrogen-bonded Turntrans-68.1-37.4174.81750000110.4R349 I351R349-V364 HydrophobicContact CB-CB 4.21Å; R349-V364 HydrophobicContact CB-CG2 3.96Å; R349-V364 PolarHBondContact O-N 3.39Å; I351-V364 HydrophobicContact CD1-CG2 4.24Å; I351-V364 HydrophobicContact CG1-CG2 3.77Å
365D62.5Low79.2Confident38 Ų3849.5 Ų49.520%0.20327%0.273CS..THydrogen-bonded Turntrans-79.9-36.5-166.1-49.1-47.5000113K176 N258 R349 T363K176-D365 PolarHBondContact NZ-O 2.82Å; N258-D365 WeakPolarHBondContact CB-OD2 3.33Å; N258-D365 PolarHBondContact OD1-OD1 2.87Å; R349-D365 IonicContact CZ-OD1 3.54Å; R349-D365 IonicContact NH2-OD1 2.71Å; R349-D365 PolarHBondContact NH2-OD1 2.75Å; R349-D365 VanDerWaalsContact NH2-OD1 3.08Å; T363-D365 VanDerWaalsContact C-N 3.31Å
366T65.8Low79.4Confident102 Ų10254.4 Ų54.463%0.62631%0.306SS*.THydrogen-bonded Turntrans-113.4-14.9-176.7600000114T363 E368T363-T366 PolarHBondContact OG1-OG1 3.38Å; T366-E368 PolarHBondContact O-N 3.01Å; T366-E368 WeakPolarHBondContact OG1-CB 3.46Å
367G68.8Low79.9Confident43 Ų4355 Ų5544%0.44330%0.303SS..  trans72.76.7-173.700000114.2T363T363-G367 WeakPolarHBondContact O-CA 3.46Å; T363-G367 PolarHBondContact O-N 3.43Å; T363-G367 VanDerWaalsContact O-N 3.11Å; T363-G367 PolarHBondContact OG1-N 2.93Å
368E76.7Confident80.2Confident101 Ų10152 Ų5247%0.47228%0.283SS..  trans-71.5133.2-178.7-174.6-174.1174.800110.9R362 T363 T366 L370R362-E368 CarbonylContact C-O 3.57Å; R362-E368 WeakPolarHBondContact CA-O 3.49Å; T363-E368 PolarHBondContact N-O 2.86Å; T363-E368 PolarHBondContact OG1-N 3.42Å; T363-E368 VanDerWaalsContact OG1-N 3.11Å; T363-E368 PolarHBondContact OG1-O 3.13Å; T366-E368 PolarHBondContact O-N 3.01Å; T366-E368 WeakPolarHBondContact OG1-CB 3.46Å; E368-L370 PolarHBondContact O-N 3.08Å
369T79.8Confident80.3Confident55 Ų5552.2 Ų52.234%0.33729%0.294SS..EExtended strand (participates in β ladder)trans-76.5111.1174.9-53.40000110V361 R362 E372V361-T369 CarbonylContact O-C 3.48Å; R362-T369 HydrophobicContact CG-CG2 4.45Å; R362-T369 PolarHBondContact NE-OG1 3.1Å; T369-E372 HydrophobicContact CG2-CB 4.31Å
370L82.9Confident80.3Confident44 Ų4452.6 Ų52.623%0.2330%0.297CS..EExtended strand (participates in β ladder)trans-68.7-43.9174.9-66.7-179.2000111.6Y318 V350 V361 T363 E368Y318-L370 HydrophobicContact CD1-CD1 3.95Å; Y318-L370 HydrophobicContact CE1-CD1 4.41Å; Y318-L370 HydrophobicContact CG-CD1 4.09Å; V350-L370 HydrophobicContact CG1-CD1 3.49Å; V350-L370 VanDerWaalsContact CG1-CD1 3.49Å; V361-L370 HydrophobicContact CG1-CD1 4.34Å; V361-L370 PolarHBondContact O-N 3.14Å; T363-L370 HydrophobicContact CG2-CD1 4.18Å; T363-L370 HydrophobicContact CG2-CD2 3.69Å; T363-L370 HydrophobicContact CG2-CG 3.83Å; E368-L370 PolarHBondContact O-N 3.08Å
371F85.4Confident80.4Confident26 Ų2657.3 Ų57.311%0.11433%0.329CS..EExtended strand (participates in β ladder)trans-162.9155175.943.4-96.8000111Y318 V361 H373 F393 A418Y318-F371 HydrophobicContact CD2-CE1 4.07Å; Y318-F371 HydrophobicContact CD2-CZ 4.18Å; Y318-F371 AromaticContact CE2-CE1 3.62Å; Y318-F371 HydrophobicContact CE2-CE1 3.62Å; Y318-F371 HydrophobicContact CE2-CZ 4.01Å; V361-F371 HydrophobicContact CB-CD2 3.85Å; V361-F371 HydrophobicContact CB-CE1 4.43Å; V361-F371 HydrophobicContact CB-CE2 3.43Å; V361-F371 VanDerWaalsContact CB-CE2 3.43Å; V361-F371 HydrophobicContact CB-CZ 3.77Å; V361-F371 HydrophobicContact CG1-CE1 4.47Å; V361-F371 HydrophobicContact CG1-CE2 4.07Å; V361-F371 HydrophobicContact CG1-CZ 3.89Å; V361-F371 HydrophobicContact CG2-CD2 3.84Å; V361-F371 HydrophobicContact CG2-CE2 3.17Å; V361-F371 HydrophobicContact CG2-CZ 3.81Å; V361-F371 PolarHBondContact N-O 3.13Å; F371-H373 AromaticContact CD2-CD2 3.84Å; F371-F393 AromaticContact CD2-CZ 3.96Å; F371-F393 HydrophobicContact CD2-CZ 3.96Å; F371-F393 AromaticContact CE2-CE1 3.91Å; F371-F393 HydrophobicContact CE2-CE1 3.91Å; F371-F393 AromaticContact CE2-CZ 3.43Å; F371-F393 HydrophobicContact CE2-CZ 3.43Å; F371-F393 VanDerWaalsContact CE2-CZ 3.43Å; F371-F393 HydrophobicContact CZ-CZ 4.27Å; F371-A418 HydrophobicContact CE1-CB 4.41Å; F371-A418 HydrophobicContact CE2-CB 4.38Å; F371-A418 HydrophobicContact CZ-CB 3.9Å
372E86.1Confident80.3Confident75 Ų7558.6 Ų58.635%0.3534%0.342SS..EExtended strand (participates in β ladder)trans-138.3127.1175.9-169.9170.8105.300109.1K358 V359 S360 T369K358-E372 HydrophobicContact CB-CG 4.48Å; K358-E372 HydrophobicContact CD-CG 3.82Å; K358-E372 VanDerWaalsContact CD-OE1 3.23Å; K358-E372 WeakPolarHBondContact CD-OE1 3.5Å; K358-E372 VanDerWaalsContact CE-CD 3.43Å; K358-E372 WeakPolarHBondContact CE-OE1 3.1Å; K358-E372 HydrophobicContact CG-CG 4.24Å; K358-E372 IonicContact NZ-OE1 3.49Å; K358-E372 PolarHBondContact NZ-OE1 2.99Å; K358-E372 IonicContact NZ-OE2 2.91Å; V359-E372 CarbonylContact O-C 3.55Å; V359-E372 VanDerWaalsContact O-CA 3.32Å; V359-E372 WeakPolarHBondContact O-CA 3.41Å; S360-E372 PolarHBondContact OG-OE2 3.41Å; S360-E372 VanDerWaalsContact OG-OE2 3.1Å; T369-E372 HydrophobicContact CG2-CB 4.31Å
373H85.8Confident80.4Confident23 Ų2361.1 Ų61.111%0.10635%0.352CS..EExtended strand (participates in β ladder)trans-133.9128.2-175-65.9-60.5000110.9K358 V359 F371 I378 F393 V395K358-H373 CarbonylContact C-O 3.57Å; K358-H373 WeakPolarHBondContact CA-O 3.49Å; K358-H373 VanDerWaalsContact CB-O 3.31Å; K358-H373 WeakPolarHBondContact CB-O 3.49Å; V359-H373 PolarHBondContact N-O 3.39Å; V359-H373 PolarHBondContact O-N 3.08Å; F371-H373 AromaticContact CD2-CD2 3.84Å; H373-I378 HydrophobicContact CB-CG1 4.27Å; H373-F393 AromaticContact CD2-CE2 3.78Å; H373-V395 HydrophobicContact CB-CG1 4.01Å
374G84.4Confident80.4Confident19 Ų1963.7 Ų63.720%0.19636%0.36CS..EExtended strand (participates in β ladder)trans-65.4145.3170.800000110.6T357 P376 Q377T357-G374 WeakPolarHBondContact O-CA 3.38Å; G374-P376 VanDerWaalsContact C-N 3.27Å; G374-Q377 VanDerWaalsContact O-CB 3.31Å; G374-Q377 WeakPolarHBondContact O-CB 3.36Å; G374-Q377 PolarHBondContact O-N 2.87Å
375F82.2Confident80.3Confident88 Ų8865 Ų6539%0.38638%0.378SS..G310 helixtrans-52.6-37.9178-66.8-61.1000114L355 T357 V359 Q377 I378L355-F375 WeakPolarHBondContact O-CE2 3.36Å; L355-F375 WeakPolarHBondContact O-CZ 3.29Å; T357-F375 WeakPolarHBondContact O-CD2 3.19Å; T357-F375 PolarHBondContact O-N 3.46Å; V359-F375 HydrophobicContact CG2-CD1 4.16Å; V359-F375 HydrophobicContact CG2-CE1 3.5Å; V359-F375 HydrophobicContact CG2-CZ 4.18Å; F375-Q377 PolarHBondContact O-N 2.91Å; F375-Q377 VanDerWaalsContact O-N 3.16Å; F375-I378 HydrophobicContact CD1-CD1 4.22Å; F375-I378 PolarHBondContact O-N 2.69Å; F375-I378 VanDerWaalsContact O-N 3.08Å
376P83.7Confident81Confident128 Ų12868.7 Ų68.783%0.83140%0.398SS*.G310 helixtrans-64.8-16.8175.7-23.335.2000114.9G374G374-P376 VanDerWaalsContact C-N 3.27Å
377Q83Confident81.2Confident81 Ų8164.7 Ų64.738%0.37937%0.374SS..G310 helixtrans-84.7-18.2176.6-60.7175-33.700112.2G374 F375 V395 R396G374-Q377 VanDerWaalsContact O-CB 3.31Å; G374-Q377 WeakPolarHBondContact O-CB 3.36Å; G374-Q377 PolarHBondContact O-N 2.87Å; F375-Q377 PolarHBondContact O-N 2.91Å; F375-Q377 VanDerWaalsContact O-N 3.16Å; Q377-V395 VanDerWaalsContact O-CA 3.29Å; Q377-V395 WeakPolarHBondContact O-CA 3.21Å; Q377-R396 PolarHBondContact O-N 3.41Å
378I85.7Confident81.3Confident33 Ų3369.9 Ų69.917%0.16938%0.38CS..EExtended strand (participates in β ladder)trans-88.1110.8-179.1-56.8172.8000108V359 H373 F375 F393 V394 V395V359-I378 HydrophobicContact CB-CD1 4.36Å; V359-I378 HydrophobicContact CG2-CD1 3.86Å; H373-I378 HydrophobicContact CB-CG1 4.27Å; F375-I378 HydrophobicContact CD1-CD1 4.22Å; F375-I378 PolarHBondContact O-N 2.69Å; F375-I378 VanDerWaalsContact O-N 3.08Å; I378-F393 HydrophobicContact CD1-CD2 4.34Å; I378-F393 HydrophobicContact CG1-CD2 4.22Å; I378-F393 HydrophobicContact CG2-CB 4.05Å; I378-F393 HydrophobicContact CG2-CD2 4.2Å; I378-V394 CarbonylContact C-O 3.54Å; I378-V394 WeakPolarHBondContact CA-O 3.29Å; I378-V395 HydrophobicContact CB-CG1 4.41Å; I378-V395 HydrophobicContact CG1-CG1 3.77Å
379A85.6Confident81.2Confident56 Ų5670.1 Ų70.146%0.46338%0.381SS..EExtended strand (participates in β ladder)trans-78.9-37.1179.400000113.2V394 W415A379-V394 PolarHBondContact N-O 2.68Å; A379-W415 HydrophobicContact CB-CE3 4.03Å; A379-W415 HydrophobicContact CB-CH2 3.47Å; A379-W415 VanDerWaalsContact CB-CH2 3.47Å; A379-W415 HydrophobicContact CB-CZ3 3.13Å
380C85.8Confident81.2Confident17 Ų1768 Ų6812%0.11537%0.368CS..EExtended strand (participates in β ladder)trans-154.8155.3176.260.60000111.6L333 F393 V394L333-C380 HydrophobicContact CD1-CB 4.22Å; C380-F393 CarbonylContact O-C 3.51Å; C380-F393 VanDerWaalsContact O-CA 3.25Å; C380-F393 WeakPolarHBondContact O-CA 3.33Å; C380-V394 PolarHBondContact O-N 3.42Å; C380-V394 VanDerWaalsContact SG-CG2 3.54Å
381C88.4Confident81.4Confident99 Ų9968.4 Ų68.467%0.66937%0.368SS*.EExtended strand (participates in β ladder)trans-139.4143.8172.362.20000109.5A392 F393C381-A392 CarbonylContact C-O 3.6Å; C381-A392 WeakPolarHBondContact CA-O 3.5Å; C381-F393 HydrophobicContact CB-CB 3.73Å
382G83.4Confident81.5Confident27 Ų2767.1 Ų67.128%0.27836%0.362SS..EExtended strand (participates in β ladder)trans174.9-169.3-178.900000113.5F391 A392G382-F391 CarbonylContact O-C 3.56Å; G382-F391 VanDerWaalsContact O-CA 3.25Å; G382-F391 WeakPolarHBondContact O-CA 3.37Å; G382-F391 WeakPolarHBondContact O-CB 3.49Å; G382-A392 PolarHBondContact N-O 3.35Å; G382-A392 PolarHBondContact O-N 3.1Å
383R82.5Confident81.7Confident161 Ų16164.2 Ų64.261%0.60835%0.348SS*.EExtended strand (participates in β ladder)trans-143.7155.4-179.658.8178.2179.7167.1-4.9109.6R388 N390 F391R383-R388 PolarHBondContact NH1-O 3.43Å; R383-N390 WeakPolarHBondContact CB-O 3.32Å; R383-F391 HydrophobicContact CB-CB 4.14Å
384R77.1Confident81.8Confident62 Ų6263.1 Ų63.123%0.23434%0.343CS..  trans-77.8148.7172.2-63.8168.359.3116.2-0.8111G334 I337 D386 S387G334-R384 PolarHBondContact O-NH1 3.28Å; I337-R384 HydrophobicContact CB-CG 4.36Å; I337-R384 HydrophobicContact CD1-CG 4.24Å; I337-R384 HydrophobicContact CG2-CG 4.38Å; R384-D386 VanDerWaalsContact C-N 3.27Å; R384-D386 WeakPolarHBondContact CB-OD1 3.22Å; R384-D386 IonicContact CZ-OD1 3.64Å; R384-D386 IonicContact CZ-OD2 2.71Å; R384-D386 IonicContact NE-OD1 3.8Å; R384-D386 PolarHBondContact NE-OD1 3.42Å; R384-D386 IonicContact NE-OD2 2.73Å; R384-D386 PolarHBondContact NE-OD2 3.42Å; R384-D386 IonicContact NH2-OD1 2.63Å; R384-D386 IonicContact NH2-OD2 2.86Å; R384-D386 PolarHBondContact NH2-OD2 3.02Å; R384-D386 PolarHBondContact O-N 3.42Å; R384-S387 CarbonylContact O-C 3.48Å; R384-S387 PolarHBondContact O-N 2.89Å
385A71.2Confident81.9Confident88 Ų8862.3 Ų62.373%0.72733%0.334SS*.SBendtrans-64.4-33.117800000113R388A385-R388 WeakPolarHBondContact O-CG 3.34Å
386D76.1Confident81.7Confident115 Ų11564.3 Ų64.362%0.61534%0.339SS*.SBendtrans-81.5-20.8178.163-7.2000113.3R384R384-D386 VanDerWaalsContact C-N 3.27Å; R384-D386 WeakPolarHBondContact CB-OD1 3.22Å; R384-D386 IonicContact CZ-OD1 3.64Å; R384-D386 IonicContact CZ-OD2 2.71Å; R384-D386 IonicContact NE-OD1 3.8Å; R384-D386 PolarHBondContact NE-OD1 3.42Å; R384-D386 IonicContact NE-OD2 2.73Å; R384-D386 PolarHBondContact NE-OD2 3.42Å; R384-D386 IonicContact NH2-OD1 2.63Å; R384-D386 IonicContact NH2-OD2 2.86Å; R384-D386 PolarHBondContact NH2-OD2 3.02Å; R384-D386 PolarHBondContact O-N 3.42Å
387S71Confident80.9Confident18 Ų1860 Ų6013%0.12631%0.308CS..  trans-123.962.1-177.3-161.80000111.5L341 R384 Q389 N390L341-S387 WeakPolarHBondContact CD1-OG 3.3Å; R384-S387 CarbonylContact O-C 3.48Å; R384-S387 PolarHBondContact O-N 2.89Å; S387-Q389 PolarHBondContact O-N 2.93Å; S387-N390 PolarHBondContact O-N 3.31Å; S387-N390 VanDerWaalsContact O-O 3.06Å; S387-N390 PolarHBondContact OG-ND2 3.12Å
388R71.1Confident79.2Confident151 Ų15160.3 Ų60.357%0.5732%0.32SS*.THydrogen-bonded Turntrans-63.3-17.5-173.4-63.9-171.8-176.8-169.7-0.6115.2R383 A385R383-R388 PolarHBondContact NH1-O 3.43Å; A385-R388 WeakPolarHBondContact O-CG 3.34Å
389Q74.2Confident76.9Confident107 Ų10768.5 Ų68.550%0.535%0.354SS..THydrogen-bonded Turntrans-84.9-12.8177-66.2-173.511.200112.8S387 G421 C422S387-Q389 PolarHBondContact O-N 2.93Å; Q389-G421 CarbonylContact O-C 3.55Å; Q389-G421 WeakPolarHBondContact O-CA 3.37Å; Q389-C422 PolarHBondContact O-N 2.94Å
390N79.8Confident74.6Confident10 Ų1070.4 Ų70.45%0.05336%0.355CS..EExtended strand (participates in β ladder)trans-116.4130.3179.9-57.1-73.8000109.6R319 I337 R383 S387 V419 L420R319-N390 WeakPolarHBondContact CD-OD1 3.33Å; R319-N390 PolarHBondContact NE-OD1 2.84Å; I337-N390 HydrophobicContact CG2-CB 4.32Å; R383-N390 WeakPolarHBondContact CB-O 3.32Å; S387-N390 PolarHBondContact O-N 3.31Å; S387-N390 VanDerWaalsContact O-O 3.06Å; S387-N390 PolarHBondContact OG-ND2 3.12Å; N390-V419 HydrophobicContact CB-CG1 4.33Å; N390-L420 CarbonylContact C-O 3.59Å; N390-L420 VanDerWaalsContact CA-O 3.31Å; N390-L420 WeakPolarHBondContact CA-O 3.4Å
391F86.5Confident71.9Confident52 Ų5280.7 Ų80.723%0.22839%0.391CS..EExtended strand (participates in β ladder)trans-120.6160.2171.467-83.1000109.2A316 I352 G382 R383 L420A316-F391 HydrophobicContact CB-CE1 4.49Å; A316-F391 HydrophobicContact CB-CZ 4.46Å; I352-F391 HydrophobicContact CD1-CE2 4.07Å; I352-F391 HydrophobicContact CD1-CZ 3.5Å; I352-F391 VanDerWaalsContact CD1-CZ 3.5Å; G382-F391 CarbonylContact O-C 3.56Å; G382-F391 VanDerWaalsContact O-CA 3.25Å; G382-F391 WeakPolarHBondContact O-CA 3.37Å; G382-F391 WeakPolarHBondContact O-CB 3.49Å; R383-F391 HydrophobicContact CB-CB 4.14Å; F391-L420 HydrophobicContact CD1-CB 4.14Å; F391-L420 VanDerWaalsContact CD1-O 3.29Å; F391-L420 WeakPolarHBondContact CD1-O 3.38Å; F391-L420 HydrophobicContact CD2-CB 4.23Å; F391-L420 HydrophobicContact CD2-CD1 4.38Å; F391-L420 HydrophobicContact CE1-CB 3.67Å; F391-L420 HydrophobicContact CE2-CB 3.78Å; F391-L420 HydrophobicContact CE2-CD1 3.59Å; F391-L420 HydrophobicContact CE2-CG 4.33Å; F391-L420 HydrophobicContact CG-CB 4.41Å; F391-L420 HydrophobicContact CZ-CB 3.49Å; F391-L420 VanDerWaalsContact CZ-CB 3.49Å; F391-L420 HydrophobicContact CZ-CD1 3.89Å; F391-L420 HydrophobicContact CZ-CG 4.3Å; F391-L420 PolarHBondContact N-O 3.48Å; F391-L420 PolarHBondContact O-N 2.83Å
392A88.7Confident69.1Low0 Ų081 Ų810%039%0.394CS..EExtended strand (participates in β ladder)trans-141.3161174.800000110.4L333 I337 C381 G382 A418 V419L333-A392 HydrophobicContact CD2-CB 3.93Å; L333-A392 WeakPolarHBondContact CD2-O 3.38Å; I337-A392 HydrophobicContact CD1-CB 3.81Å; I337-A392 HydrophobicContact CG1-CB 3.55Å; C381-A392 CarbonylContact C-O 3.6Å; C381-A392 WeakPolarHBondContact CA-O 3.5Å; G382-A392 PolarHBondContact N-O 3.35Å; G382-A392 PolarHBondContact O-N 3.1Å; A392-A418 WeakPolarHBondContact CA-O 3.23Å; A392-A418 VanDerWaalsContact CB-O 3.23Å; A392-A418 WeakPolarHBondContact CB-O 3.35Å; A392-V419 HydrophobicContact CB-CG2 4.11Å
393F88.7Confident66.6Low13 Ų1387.7 Ų87.76%0.05742%0.418CS..EExtended strand (participates in β ladder)trans-132.9148.8164.767.9-90.6000109.1F371 H373 I378 C380 C381 V395 A417 A418 L420F371-F393 AromaticContact CD2-CZ 3.96Å; F371-F393 HydrophobicContact CD2-CZ 3.96Å; F371-F393 AromaticContact CE2-CE1 3.91Å; F371-F393 HydrophobicContact CE2-CE1 3.91Å; F371-F393 AromaticContact CE2-CZ 3.43Å; F371-F393 HydrophobicContact CE2-CZ 3.43Å; F371-F393 VanDerWaalsContact CE2-CZ 3.43Å; F371-F393 HydrophobicContact CZ-CZ 4.27Å; H373-F393 AromaticContact CD2-CE2 3.78Å; I378-F393 HydrophobicContact CD1-CD2 4.34Å; I378-F393 HydrophobicContact CG1-CD2 4.22Å; I378-F393 HydrophobicContact CG2-CB 4.05Å; I378-F393 HydrophobicContact CG2-CD2 4.2Å; C380-F393 CarbonylContact O-C 3.51Å; C380-F393 VanDerWaalsContact O-CA 3.25Å; C380-F393 WeakPolarHBondContact O-CA 3.33Å; C381-F393 HydrophobicContact CB-CB 3.73Å; F393-V395 HydrophobicContact CD2-CG1 3.79Å; F393-V395 HydrophobicContact CE2-CG1 3.67Å; F393-A417 WeakPolarHBondContact O-CA 3.33Å; F393-A418 HydrophobicContact CE1-CB 3.96Å; F393-A418 HydrophobicContact CE2-CB 4.48Å; F393-A418 HydrophobicContact CZ-CB 3.93Å; F393-A418 PolarHBondContact N-O 3.12Å; F393-A418 PolarHBondContact O-N 3.38Å; F393-L420 HydrophobicContact CD1-CD1 4.27Å; F393-L420 HydrophobicContact CE1-CD1 3.94Å
394V87.8Confident64.3Low0 Ų085.8 Ų85.80%042%0.419CS..EExtended strand (participates in β ladder)trans-111.4125.4-174.9-176.10000108.5V324 Q332 L333 I378 A379 C380 W415 L416 A417V324-V394 HydrophobicContact CG2-CG1 3.82Å; Q332-V394 HydrophobicContact CB-CG2 4.19Å; L333-V394 HydrophobicContact CD2-CG2 3.83Å; L333-V394 HydrophobicContact CG-CG2 4.17Å; I378-V394 CarbonylContact C-O 3.54Å; I378-V394 WeakPolarHBondContact CA-O 3.29Å; A379-V394 PolarHBondContact N-O 2.68Å; C380-V394 PolarHBondContact O-N 3.42Å; C380-V394 VanDerWaalsContact SG-CG2 3.54Å; V394-W415 HydrophobicContact CG1-CB 3.78Å; V394-W415 HydrophobicContact CG1-CD2 4.3Å; V394-W415 HydrophobicContact CG1-CE3 3.81Å; V394-W415 HydrophobicContact CG1-CG 4.35Å; V394-L416 VanDerWaalsContact CA-O 3.29Å; V394-L416 WeakPolarHBondContact CA-O 3.47Å; V394-A417 HydrophobicContact CG2-CB 4.14Å
395V87.6Confident62Low2 Ų291.9 Ų91.91%0.01245%0.45CS..EExtended strand (participates in β ladder)trans-114143.5178.9-72.20000111.9H373 Q377 I378 F393 W415 L416H373-V395 HydrophobicContact CB-CG1 4.01Å; Q377-V395 VanDerWaalsContact O-CA 3.29Å; Q377-V395 WeakPolarHBondContact O-CA 3.21Å; I378-V395 HydrophobicContact CB-CG1 4.41Å; I378-V395 HydrophobicContact CG1-CG1 3.77Å; F393-V395 HydrophobicContact CD2-CG1 3.79Å; F393-V395 HydrophobicContact CE2-CG1 3.67Å; V395-W415 WeakPolarHBondContact O-CA 3.28Å; V395-L416 HydrophobicContact CG2-CB 3.96Å; V395-L416 HydrophobicContact CG2-CD2 4.5Å; V395-L416 PolarHBondContact N-O 2.8Å; V395-L416 PolarHBondContact O-N 2.98Å
396R77.1Confident60Low131 Ų13197.5 Ų97.549%0.49446%0.458SS..EExtended strand (participates in β ladder)trans-81.3116.5170.1-157.8173.1173.6139.30.8108.9Q377 S398 E413 W415Q377-R396 PolarHBondContact O-N 3.41Å; R396-S398 PolarHBondContact O-N 3.08Å; R396-E413 IonicContact CZ-OE2 3.73Å; R396-E413 IonicContact NE-OE2 3.94Å; R396-E413 IonicContact NH2-OE2 3.54Å; R396-E413 PolarHBondContact NH2-OE2 3.01Å; R396-W415 HydrophobicContact CB-CE3 3.84Å; R396-W415 HydrophobicContact CB-CH2 3.78Å; R396-W415 HydrophobicContact CB-CZ3 3.36Å; R396-W415 HydrophobicContact CG-CE3 4.22Å; R396-W415 HydrophobicContact CG-CH2 3.89Å; R396-W415 HydrophobicContact CG-CZ2 4.2Å; R396-W415 HydrophobicContact CG-CZ3 3.88Å
397M67.4Low57.8Low36 Ų3699.6 Ų99.618%0.17746%0.464CS..EExtended strand (participates in β ladder)trans-80.5109.6176.1-73-77.2-152.800110.7M400 G414 L416M397-M400 HydrophobicContact CE-CE 3.69Å; M397-M400 HydrophobicContact CE-CG 4.33Å; M397-M400 HydrophobicContact CE-SD 3.4Å; M397-M400 WeakPolarHBondContact CE-SD 3.46Å; M397-M400 HydrophobicContact SD-CB 4.39Å; M397-M400 HydrophobicContact SD-CG 4.29Å; M397-M400 HydrophobicContact SD-SD 4.1Å; M397-G414 WeakPolarHBondContact CB-O 3.47Å; M397-G414 PolarHBondContact N-O 3.09Å; M397-G414 VanDerWaalsContact N-O 3.15Å; M397-L416 HydrophobicContact CE-CB 4.09Å; M397-L416 HydrophobicContact CE-CD1 4.16Å; M397-L416 HydrophobicContact CE-CD2 3.87Å; M397-L416 HydrophobicContact CE-CG 4.25Å; M397-L416 HydrophobicContact CG-CB 4.37Å
398S48.5Very low55.6Low89 Ų89103.2 Ų103.262%0.62250%0.504SS*.SBendtrans-104103.216244.80000109R396R396-S398 PolarHBondContact O-N 3.08Å
399K36.8Very low53.5Low205 Ų205105.4 Ų105.489%0.89151%0.513SS*.  trans4590.6179.3-95.9-179.9174.2174.70115R401K399-R401 PolarHBondContact O-N 3.05Å
400M36.7Very low51.1Low95 Ų95109.2 Ų109.247%0.46853%0.531SS..  trans-69.1116.8168.1-150.2174.3-168.900109.9M397 I404M397-M400 HydrophobicContact CE-CE 3.69Å; M397-M400 HydrophobicContact CE-CG 4.33Å; M397-M400 HydrophobicContact CE-SD 3.4Å; M397-M400 WeakPolarHBondContact CE-SD 3.46Å; M397-M400 HydrophobicContact SD-CB 4.39Å; M397-M400 HydrophobicContact SD-CG 4.29Å; M397-M400 HydrophobicContact SD-SD 4.1Å; M400-I404 HydrophobicContact SD-CD1 4.4Å
401R29.3Very low48.7Very low234 Ų234114.4 Ų114.488%0.88356%0.558SS**  trans-80.2124161-85.8-179171.4175.9-2.6107.4K399K399-R401 PolarHBondContact O-N 3.05Å
402S29.6Very low46Very low104 Ų104121.8 Ų121.873%0.72758%0.584SS**SBendtrans49.198.4169.854.60000115.2
403E31.3Very low43.7Very low169 Ų169128 Ų12879%0.7961%0.613SS**SBend-15812.588.1-96176.3165.600114.6
404I34.6Very low41.7Very low120 Ų120128.1 Ų128.162%0.61562%0.618SS**  trans-107.868.6177.5-49.5176.4000109.6M400M400-I404 HydrophobicContact SD-CD1 4.4Å
405Q27.7Very low40.2Very low191 Ų191129.8 Ų129.889%0.89362%0.624SS**  trans-12666.7159.3-88.6-170.3-15.200108.5
406K30.3Very low38.9Very low206 Ų206131.2 Ų131.290%0.89663%0.632SS**SBendtrans-122.4-4.3160.9-94.6-170.6177.4178.40115.1
407E28.5Very low38.2Very low159 Ų159125 Ų12574%0.74361%0.608SS**SBendtrans-141.8129.9170-67.7-174.2164.600109.6Y409E407-Y409 PolarHBondContact O-N 3.05Å
408G25.5Very low38.2Very low93 Ų93123.4 Ų123.496%0.95960%0.601SS**  trans-69.159.4-169.400000115.4
409Y26.4Very low39.1Very low197 Ų197119.2 Ų119.277%0.77357%0.571SS**  trans-103.3121.8172.7-87.5-87.3000111.3E407 I411E407-Y409 PolarHBondContact O-N 3.05Å; Y409-I411 PolarHBondContact O-N 3.17Å; Y409-I411 VanDerWaalsContact O-N 3.11Å
410Q24.4Very low40.8Very low188 Ų188109.5 Ų109.588%0.87953%0.529SS*.  trans-54.2114.2164.4-83.5179.4-24.100109.4R412Q410-R412 PolarHBondContact O-N 3.22Å
411I30.3Very low41.6Very low119 Ų119105.1 Ų105.161%0.6151%0.508SS*.  trans-7495178.5-55.9176.2000108.4Y409Y409-I411 PolarHBondContact O-N 3.17Å; Y409-I411 VanDerWaalsContact O-N 3.11Å
412R30Very low42.7Very low206 Ų20696.3 Ų96.378%0.77748%0.482SS*.  trans-65.4141.2158.6-74.5-175175.2-172.6-1.7108.7R323 Q410 G414R323-R412 PolarHBondContact NH2-O 3.09Å; Q410-R412 PolarHBondContact O-N 3.22Å; R412-G414 PolarHBondContact O-N 2.99Å
413E38.9Very low43.5Very low132 Ų13294.1 Ų94.162%0.61746%0.464SS*.  trans-40.5135.8172.4-66-169.7177.900110.9R323 R396R323-E413 PolarHBondContact NH2-O 3.39Å; R396-E413 IonicContact CZ-OE2 3.73Å; R396-E413 IonicContact NE-OE2 3.94Å; R396-E413 IonicContact NH2-OE2 3.54Å; R396-E413 PolarHBondContact NH2-OE2 3.01Å
414G46.6Very low44Very low14 Ų1492.6 Ų92.614%0.14446%0.455CS..EExtended strand (participates in β ladder)trans-157.9152.6-17400000112.1M397 R412M397-G414 WeakPolarHBondContact CB-O 3.47Å; M397-G414 PolarHBondContact N-O 3.09Å; M397-G414 VanDerWaalsContact N-O 3.15Å; R412-G414 PolarHBondContact O-N 2.99Å
415W57.3Low43.8Very low36 Ų3697.7 Ų97.714%0.13647%0.466CS..EExtended strand (participates in β ladder)trans-91132.3177.9-64.2106.9000109.6R323 V324 D326 A379 V394 V395 R396R323-W415 CarbonylContact C-O 3.6Å; R323-W415 WeakPolarHBondContact CA-O 3.37Å; V324-W415 HydrophobicContact CG2-CB 3.45Å; V324-W415 VanDerWaalsContact CG2-CB 3.45Å; V324-W415 PolarHBondContact N-O 3.44Å; D326-W415 PolarHBondContact OD1-NE1 3.11Å; A379-W415 HydrophobicContact CB-CE3 4.03Å; A379-W415 HydrophobicContact CB-CH2 3.47Å; A379-W415 VanDerWaalsContact CB-CH2 3.47Å; A379-W415 HydrophobicContact CB-CZ3 3.13Å; V394-W415 HydrophobicContact CG1-CB 3.78Å; V394-W415 HydrophobicContact CG1-CD2 4.3Å; V394-W415 HydrophobicContact CG1-CE3 3.81Å; V394-W415 HydrophobicContact CG1-CG 4.35Å; V395-W415 WeakPolarHBondContact O-CA 3.28Å; R396-W415 HydrophobicContact CB-CE3 3.84Å; R396-W415 HydrophobicContact CB-CH2 3.78Å; R396-W415 HydrophobicContact CB-CZ3 3.36Å; R396-W415 HydrophobicContact CG-CE3 4.22Å; R396-W415 HydrophobicContact CG-CH2 3.89Å; R396-W415 HydrophobicContact CG-CZ2 4.2Å; R396-W415 HydrophobicContact CG-CZ3 3.88Å
416L60.5Low43.7Very low32 Ų3299.2 Ų99.217%0.16846%0.464CS..EExtended strand (participates in β ladder)trans-113.1124.8176.7-168.499000109.5T322 V394 V395 M397T322-L416 WeakPolarHBondContact O-CA 3.31Å; V394-L416 VanDerWaalsContact CA-O 3.29Å; V394-L416 WeakPolarHBondContact CA-O 3.47Å; V395-L416 HydrophobicContact CG2-CB 3.96Å; V395-L416 HydrophobicContact CG2-CD2 4.5Å; V395-L416 PolarHBondContact N-O 2.8Å; V395-L416 PolarHBondContact O-N 2.98Å; M397-L416 HydrophobicContact CE-CB 4.09Å; M397-L416 HydrophobicContact CE-CD1 4.16Å; M397-L416 HydrophobicContact CE-CD2 3.87Å; M397-L416 HydrophobicContact CE-CG 4.25Å; M397-L416 HydrophobicContact CG-CB 4.37Å
417A60.7Low43.4Very low0 Ų094.3 Ų94.30%046%0.455CS..EExtended strand (participates in β ladder)trans-98.5118.2172.300000109.9S321 T322 V324 F393 V394S321-A417 CarbonylContact C-O 3.59Å; S321-A417 WeakPolarHBondContact CA-O 3.46Å; T322-A417 HydrophobicContact CG2-CB 4.35Å; T322-A417 PolarHBondContact N-O 2.85Å; T322-A417 PolarHBondContact O-N 3.31Å; V324-A417 HydrophobicContact CG1-CB 3.73Å; F393-A417 WeakPolarHBondContact O-CA 3.33Å; V394-A417 HydrophobicContact CG2-CB 4.14Å
418A69.4Low43.3Very low3 Ų396.1 Ų96.13%0.02546%0.464CS..EExtended strand (participates in β ladder)trans-95.3124.5172.200000109.9Y318 F371 A392 F393Y318-A418 HydrophobicContact CE2-CB 4.37Å; F371-A418 HydrophobicContact CE1-CB 4.41Å; F371-A418 HydrophobicContact CE2-CB 4.38Å; F371-A418 HydrophobicContact CZ-CB 3.9Å; A392-A418 WeakPolarHBondContact CA-O 3.23Å; A392-A418 VanDerWaalsContact CB-O 3.23Å; A392-A418 WeakPolarHBondContact CB-O 3.35Å; F393-A418 HydrophobicContact CE1-CB 3.96Å; F393-A418 HydrophobicContact CE2-CB 4.48Å; F393-A418 HydrophobicContact CZ-CB 3.93Å; F393-A418 PolarHBondContact N-O 3.12Å; F393-A418 PolarHBondContact O-N 3.38Å
419V66.9Low43.4Very low0 Ų0100.8 Ų100.80%046%0.463CS..EExtended strand (participates in β ladder)trans-106.7126.6-173.8-176.50000110.9R319 G320 I337 I340 N390 A392R319-V419 HydrophobicContact CB-CG1 4.43Å; R319-V419 PolarHBondContact N-O 3.31Å; G320-V419 PolarHBondContact O-N 3.31Å; I337-V419 HydrophobicContact CG1-CG1 4.37Å; I337-V419 HydrophobicContact CG1-CG2 4.16Å; I337-V419 HydrophobicContact CG2-CG1 4.49Å; I340-V419 HydrophobicContact CB-CB 4.15Å; I340-V419 HydrophobicContact CB-CG2 3.85Å; I340-V419 HydrophobicContact CG1-CB 4.31Å; I340-V419 HydrophobicContact CG1-CG2 3.72Å; I340-V419 HydrophobicContact CG2-CB 3.96Å; I340-V419 HydrophobicContact CG2-CG1 4.3Å; I340-V419 HydrophobicContact CG2-CG2 4.23Å; N390-V419 HydrophobicContact CB-CG1 4.33Å; A392-V419 HydrophobicContact CB-CG2 4.11Å
420L71Confident43.3Very low1 Ų1100.9 Ų100.91%0.00547%0.468CS..EExtended strand (participates in β ladder)trans-128.2129.7-172-67.5155000109.9A316 I317 Y318 V350 I352 N390 F391 F393A316-L420 HydrophobicContact CB-CB 4.23Å; A316-L420 HydrophobicContact CB-CD2 4.14Å; I317-L420 CarbonylContact O-C 3.6Å; I317-L420 WeakPolarHBondContact O-CA 3.49Å; Y318-L420 HydrophobicContact CD2-CD2 4.06Å; V350-L420 HydrophobicContact CG2-CD2 3.64Å; I352-L420 HydrophobicContact CD1-CD1 3.64Å; I352-L420 HydrophobicContact CD1-CD2 4.1Å; I352-L420 HydrophobicContact CD1-CG 4.29Å; I352-L420 HydrophobicContact CG1-CD1 4.3Å; I352-L420 HydrophobicContact CG1-CD2 4.44Å; N390-L420 CarbonylContact C-O 3.59Å; N390-L420 VanDerWaalsContact CA-O 3.31Å; N390-L420 WeakPolarHBondContact CA-O 3.4Å; F391-L420 HydrophobicContact CD1-CB 4.14Å; F391-L420 VanDerWaalsContact CD1-O 3.29Å; F391-L420 WeakPolarHBondContact CD1-O 3.38Å; F391-L420 HydrophobicContact CD2-CB 4.23Å; F391-L420 HydrophobicContact CD2-CD1 4.38Å; F391-L420 HydrophobicContact CE1-CB 3.67Å; F391-L420 HydrophobicContact CE2-CB 3.78Å; F391-L420 HydrophobicContact CE2-CD1 3.59Å; F391-L420 HydrophobicContact CE2-CG 4.33Å; F391-L420 HydrophobicContact CG-CB 4.41Å; F391-L420 HydrophobicContact CZ-CB 3.49Å; F391-L420 VanDerWaalsContact CZ-CB 3.49Å; F391-L420 HydrophobicContact CZ-CD1 3.89Å; F391-L420 HydrophobicContact CZ-CG 4.3Å; F391-L420 PolarHBondContact N-O 3.48Å; F391-L420 PolarHBondContact O-N 2.83Å; F393-L420 HydrophobicContact CD1-CD1 4.27Å; F393-L420 HydrophobicContact CE1-CD1 3.94Å
421G53.8Low43.4Very low3 Ų3100.2 Ų100.23%0.03146%0.464CS..EExtended strand (participates in β ladder)trans-94.4127.917600000112.1A316 I317 Q389A316-G421 CarbonylContact C-O 3.46Å; A316-G421 WeakPolarHBondContact CA-O 3.29Å; I317-G421 PolarHBondContact N-O 2.92Å; I317-G421 PolarHBondContact O-N 2.93Å; Q389-G421 CarbonylContact O-C 3.55Å; Q389-G421 WeakPolarHBondContact O-CA 3.37Å
422C54Low43.3Very low50 Ų50104.1 Ų104.134%0.33848%0.48SS..EExtended strand (participates in β ladder)trans-85.1132.2173.2-168.10000109.9Q389 K424Q389-C422 PolarHBondContact O-N 2.94Å; C422-K424 VanDerWaalsContact C-N 3.33Å; C422-K424 PolarHBondContact O-N 2.86Å
423T46.2Very low43.1Very low57 Ų57105 Ų10535%0.3548%0.483SS..  trans-824.2-172.343.50000115.2I317 R425I317-T423 HydrophobicContact CD1-CG2 4.22Å; I317-T423 HydrophobicContact CG1-CG2 4.28Å; T423-R425 PolarHBondContact O-N 2.79Å; T423-R425 VanDerWaalsContact O-N 3.15Å
424K41.7Very low42.4Very low138 Ų138104 Ų10460%0.649%0.491SS*.  trans-69.6110.6179.2-83.1-171.1174.6-177.90113E289 C422E289-K424 WeakPolarHBondContact OE1-CE 3.06Å; C422-K424 VanDerWaalsContact C-N 3.33Å; C422-K424 PolarHBondContact O-N 2.86Å
425R30.2Very low41.4Very low226 Ų226107.8 Ų107.885%0.85352%0.521SS*.  trans-81.5126.9156.7-87.5-175.2174.9-177.2-0.6109.5T423 S427T423-R425 PolarHBondContact O-N 2.79Å; T423-R425 VanDerWaalsContact O-N 3.15Å; R425-S427 PolarHBondContact O-N 3Å
426R24.9Very low39.9Very low224 Ų224112 Ų11285%0.84555%0.553SS**SBendtrans-62.4101.8174.6-93.7177163.9178.2-6.8110.8
427S25Very low38.4Very low102 Ų102118.5 Ų118.571%0.71359%0.586SS**  trans-159.465.6156.455.40000110.9R425R425-S427 PolarHBondContact O-N 3Å
428Q25.9Very low36.6Very low197 Ų197128.1 Ų128.192%0.92163%0.628SS**SBendtrans175.970153.8-98.5170.318.100108.9
429M27.6Very low34.5Very low192 Ų192131.2 Ų131.295%0.94666%0.659SS**  trans-144.265.6159.2-89.1-164.6-172.900106.9
430K25Very low32.5Very low198 Ų198139.6 Ų139.686%0.86170%0.701SS**SBendtrans-143.673.1162-84.5-167.2178.3-177.80106.3
431H26Very low30.2Very low174 Ų174147.6 Ų147.681%0.80674%0.743SS**  trans163.379.1150.4-89.7-55.5000108.4
432E26.9Very low29.2Very low201 Ų201158.5 Ų158.594%0.93980%0.799SS**  trans-150.8114.5143-113.4167.2-160.400106.9
433R25.9Very low27.9Very low225 Ų225164 Ų16485%0.84982%0.822SS**  trans-78.9136-174-75.2175.7167173.8-3.9108.7
434S24.8Very low27Very low112 Ų112169.6 Ų169.678%0.78385%0.847SS**  trans46.5103.9138.962.20000119.1
435A25.6Very low26.2Very low93 Ų93171.3 Ų171.377%0.76986%0.861SS**  trans-153.4123.213500000109.2
436P25.9Very low25.9Very low125 Ų125168.1 Ų168.181%0.81286%0.861SS**  trans-94115.9174.833.2-24.4000109.6K438P436-K438 PolarHBondContact O-N 2.76Å
437I28.5Very low26Very low167 Ų167164.6 Ų164.686%0.85686%0.862SS**  trans-93.199.7164.2-61.6178.3000107.5
438K23.4Very low26.1Very low203 Ų203168.8 Ų168.888%0.88387%0.872SS**  trans-72.7137.1156.2-85.4178.7170.3179.80108.5P436P436-K438 PolarHBondContact O-N 2.76Å
439G24.3Very low26.1Very low67 Ų67166.8 Ų166.869%0.69187%0.869SS**  trans98.2102.9147.600000116.6
440M24.9Very low26Very low176 Ų176164.8 Ų164.887%0.86786%0.863SS**  -170.7116.5105.1-106.7175.880.100109.3
441L24.6Very low26Very low170 Ų170162.1 Ų162.189%0.8986%0.863SS**  trans-74.9129.8153.1-87.7142.7000107.5
442L31.7Very low26Very low232 Ų232161 Ų161100%1.21587%0.868SS**  trans-157.10134.7-104.2166000107.9

Retrieved 442 of 442 residues in 253.3 ms (Link to these results)

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