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Sphingosine-1-phosphate phosphatase 1

Specifically dephosphorylates sphingosine 1-phosphate (S1P), dihydro-S1P, and phyto-S1P. Does not act on ceramide 1-phosphate, lysophosphatidic acid or phosphatidic acid. Sphingosine-1-phosphate phosphatase activity is needed for efficient recycling of sphingosine into the sphingolipid synthesis pathway. Regulates the intracellular levels of the bioactive sphingolipid metabolite S1P that regulates diverse biological processes acting both as an extracellular receptor ligand or as an intracellular second messenger (By similarity). Involved in efficient ceramide synthesis from exogenous sphingoid bases. Converts S1P to sphingosine, which is readily metabolized to ceramide via ceramide synthase. In concert with sphingosine kinase 2 (SphK2), recycles sphingosine into ceramide through a phosphorylation/dephosphorylation cycle (By similarity). Regulates endoplasmic-to-Golgi trafficking of ceramides, resulting in the regulation of ceramide levels in the endoplasmic reticulum, preferentially long-chain ceramide species, and influences the anterograde membrane transport of both ceramide and proteins from the endoplasmic reticulum to the Golgi apparatus (By similarity). The modulation of intracellular ceramide levels in turn regulates apoptosis (By similarity). Via S1P levels, modulates resting tone, intracellular Ca(2+) and myogenic vasoconstriction in resistance arteries. Also involved in unfolded protein response (UPR) and ER stress-induced autophagy via regulation of intracellular S1P levels (By similarity). Involved in the regulation of epidermal homeostasis and keratinocyte differentiation (By similarity).

AlphaFold DB , UniProt , Accession Q99P55, Species RAT (Rattus norvegicus, Rat), Gene Sgpp1, Length 430 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
1M70.6Confident88.1Confident137 Ų13790.5 Ų90.568%0.67550%0.497SS*.  01320-73-177.675.900110.2Q5 R6 L9M1-Q5 HydrophobicContact CB-CB 4.31Å; M1-Q5 VanDerWaalsContact CE-C 3.45Å; M1-Q5 HydrophobicContact CE-CB 3.72Å; M1-Q5 WeakPolarHBondContact CE-O 3.18Å; M1-R6 HydrophobicContact CB-CG 4.22Å; M1-R6 HydrophobicContact CE-CG 4.06Å; M1-R6 HydrophobicContact SD-CG 4.45Å; M1-L9 HydrophobicContact CE-CB 4.5Å; M1-L9 HydrophobicContact CE-CD1 3.5Å; M1-L9 VanDerWaalsContact CE-CD1 3.5Å; M1-L9 HydrophobicContact CE-CG 3.91Å; M1-L9 HydrophobicContact SD-CD1 4.3Å
2S87.6Confident88.3Confident66 Ų6690.8 Ų90.846%0.46250%0.496SS..  trans-73.4168.316968.10000112G4 Q5 R6S2-G4 VanDerWaalsContact C-N 3.34Å; S2-G4 PolarHBondContact O-N 3.28Å; S2-Q5 PolarHBondContact O-N 3Å; S2-Q5 WeakPolarHBondContact OG-CG 3.31Å; S2-Q5 PolarHBondContact OG-N 3.02Å; S2-R6 PolarHBondContact O-N 3.44Å; S2-R6 VanDerWaalsContact O-N 3.12Å
3L88.2Confident88.6Confident130 Ų13093.7 Ų93.768%0.68150%0.495SS*.Hα-helixtrans-58.5-45.4174.8-177.663000111.5Q5 R6 L7L3-Q5 VanDerWaalsContact C-N 3.34Å; L3-Q5 PolarHBondContact O-N 3.39Å; L3-R6 WeakPolarHBondContact O-CB 3.33Å; L3-R6 PolarHBondContact O-N 2.91Å; L3-L7 HydrophobicContact CG-CD1 4.12Å; L3-L7 WeakPolarHBondContact O-CG 3.1Å; L3-L7 PolarHBondContact O-N 2.96Å
4G89.7Confident88.9Confident47 Ų4789.7 Ų89.749%0.48547%0.474SS..Hα-helixtrans-58.5-41176.700000113.3S2 R6 L7 A8S2-G4 VanDerWaalsContact C-N 3.34Å; S2-G4 PolarHBondContact O-N 3.28Å; G4-R6 PolarHBondContact O-N 2.96Å; G4-L7 PolarHBondContact O-N 3.37Å; G4-A8 WeakPolarHBondContact O-CB 3.28Å; G4-A8 PolarHBondContact O-N 2.99Å
5Q87.9Confident89.1Confident106 Ų10688 Ų8850%0.49546%0.463SS..Hα-helixtrans-64.4-37.8174.1-72.5172.4-26.900112.4M1 S2 L3 L9M1-Q5 HydrophobicContact CB-CB 4.31Å; M1-Q5 VanDerWaalsContact CE-C 3.45Å; M1-Q5 HydrophobicContact CE-CB 3.72Å; M1-Q5 WeakPolarHBondContact CE-O 3.18Å; S2-Q5 PolarHBondContact O-N 3Å; S2-Q5 WeakPolarHBondContact OG-CG 3.31Å; S2-Q5 PolarHBondContact OG-N 3.02Å; L3-Q5 VanDerWaalsContact C-N 3.34Å; L3-Q5 PolarHBondContact O-N 3.39Å; Q5-L9 PolarHBondContact O-N 2.9Å
6R90.4Very high89.3Confident162 Ų16286.2 Ų86.261%0.61145%0.451SS*.Hα-helixtrans-66.5-40.3175.9-67.6-178.3-175.5-158.71.3111.5M1 S2 L3 G4 L10M1-R6 HydrophobicContact CB-CG 4.22Å; M1-R6 HydrophobicContact CE-CG 4.06Å; M1-R6 HydrophobicContact SD-CG 4.45Å; S2-R6 PolarHBondContact O-N 3.44Å; S2-R6 VanDerWaalsContact O-N 3.12Å; L3-R6 WeakPolarHBondContact O-CB 3.33Å; L3-R6 PolarHBondContact O-N 2.91Å; G4-R6 PolarHBondContact O-N 2.96Å; R6-L10 WeakPolarHBondContact O-CB 3.39Å; R6-L10 PolarHBondContact O-N 3.36Å
7L89.9Confident89.5Confident99 Ų9983.4 Ų83.452%0.51844%0.439SS..Hα-helixtrans-67.2-42.1176.2-68.7171.8000111.7L3 G4 L10 A11L3-L7 HydrophobicContact CG-CD1 4.12Å; L3-L7 WeakPolarHBondContact O-CG 3.1Å; L3-L7 PolarHBondContact O-N 2.96Å; G4-L7 PolarHBondContact O-N 3.37Å; L7-L10 WeakPolarHBondContact O-CB 3.3Å; L7-L10 PolarHBondContact O-N 2.69Å; L7-L10 VanDerWaalsContact O-N 3.11Å; L7-A11 PolarHBondContact O-N 2.92Å
8A90Very high89.7Confident51 Ų5184.9 Ų84.942%0.42144%0.443SS..Hα-helixtrans-61-47.4174.900000112.2G4 L10 A11 I12G4-A8 WeakPolarHBondContact O-CB 3.28Å; G4-A8 PolarHBondContact O-N 2.99Å; A8-L10 PolarHBondContact O-N 3.16Å; A8-A11 PolarHBondContact O-N 2.67Å; A8-I12 WeakPolarHBondContact O-CG1 3.37Å; A8-I12 PolarHBondContact O-N 3.02Å
9L91.5Very high90Very high88 Ų8887 Ų8746%0.46145%0.445SS..Hα-helixtrans-66.6-22.1174.1-68.4-164.1000113.2M1 Q5 I12 R13M1-L9 HydrophobicContact CE-CB 4.5Å; M1-L9 HydrophobicContact CE-CD1 3.5Å; M1-L9 VanDerWaalsContact CE-CD1 3.5Å; M1-L9 HydrophobicContact CE-CG 3.91Å; M1-L9 HydrophobicContact SD-CD1 4.3Å; Q5-L9 PolarHBondContact O-N 2.9Å; L9-I12 HydrophobicContact CD2-CD1 4.36Å; L9-R13 WeakPolarHBondContact O-CG 3.29Å; L9-R13 PolarHBondContact O-NE 3.27Å
10L92.1Very high90.2Very high79 Ų7982.7 Ų82.741%0.41442%0.423SS..Hα-helixtrans-76.4-46.1171.9-17860.5000111R6 L7 A8 I12 R13 L14R6-L10 WeakPolarHBondContact O-CB 3.39Å; R6-L10 PolarHBondContact O-N 3.36Å; L7-L10 WeakPolarHBondContact O-CB 3.3Å; L7-L10 PolarHBondContact O-N 2.69Å; L7-L10 VanDerWaalsContact O-N 3.11Å; A8-L10 PolarHBondContact O-N 3.16Å; L10-I12 PolarHBondContact O-N 3.24Å; L10-R13 PolarHBondContact O-N 3.05Å; L10-L14 HydrophobicContact CD1-CD1 4.02Å; L10-L14 HydrophobicContact CD1-CG 4.17Å; L10-L14 HydrophobicContact CG-CD1 3.82Å; L10-L14 HydrophobicContact CG-CG 4.39Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.11Å
11A91.2Very high90.4Very high30 Ų3078.9 Ų78.925%0.24840%0.404CS..Hα-helixtrans-57.3-49177.600000112L7 A8 R13 L14 Q15 L247L7-A11 PolarHBondContact O-N 2.92Å; A8-A11 PolarHBondContact O-N 2.67Å; A11-R13 VanDerWaalsContact C-N 3.32Å; A11-R13 PolarHBondContact O-N 3.31Å; A11-L14 PolarHBondContact O-N 3.26Å; A11-L14 VanDerWaalsContact O-N 3.09Å; A11-Q15 WeakPolarHBondContact O-CB 3.35Å; A11-Q15 PolarHBondContact O-N 2.92Å; A11-L247 HydrophobicContact CB-CD1 4.22Å; A11-L247 HydrophobicContact CB-CD2 4.03Å
12I90.7Very high91.5Very high95 Ų9575.4 Ų75.449%0.48739%0.393SS..Hα-helixtrans-54.9-47.2176-66.9164.2000111A8 L9 L10 L14 Q15 E16A8-I12 WeakPolarHBondContact O-CG1 3.37Å; A8-I12 PolarHBondContact O-N 3.02Å; L9-I12 HydrophobicContact CD2-CD1 4.36Å; L10-I12 PolarHBondContact O-N 3.24Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 2.97Å; I12-Q15 PolarHBondContact O-N 3.03Å; I12-E16 PolarHBondContact O-N 2.71Å; I12-E16 VanDerWaalsContact O-N 3.11Å
13R92.1Very high91.9Very high128 Ų12874.3 Ų74.348%0.48338%0.38SS..Hα-helixtrans-69.9-23179.9-73.6-179.1-67.3164.34114.3L9 L10 A11 E16 R19L9-R13 WeakPolarHBondContact O-CG 3.29Å; L9-R13 PolarHBondContact O-NE 3.27Å; L10-R13 PolarHBondContact O-N 3.05Å; A11-R13 VanDerWaalsContact C-N 3.32Å; A11-R13 PolarHBondContact O-N 3.31Å; R13-E16 WeakPolarHBondContact CG-OE1 3.28Å; R13-R19 WeakPolarHBondContact O-CG 3.05Å
14L93.2Very high92.2Very high38 Ų3868.2 Ų68.220%0.19935%0.348CS..Hα-helixtrans-85.9-20.5174-68.8171000112.6L10 A11 I12 I246 L247 I250L10-L14 HydrophobicContact CD1-CD1 4.02Å; L10-L14 HydrophobicContact CD1-CG 4.17Å; L10-L14 HydrophobicContact CG-CD1 3.82Å; L10-L14 HydrophobicContact CG-CG 4.39Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.11Å; A11-L14 PolarHBondContact O-N 3.26Å; A11-L14 VanDerWaalsContact O-N 3.09Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 2.97Å; L14-I246 HydrophobicContact CB-CB 4.42Å; L14-I246 HydrophobicContact CD2-CB 4.09Å; L14-I246 HydrophobicContact CD2-CG2 3.87Å; L14-I246 PolarHBondContact O-N 3.01Å; L14-I246 VanDerWaalsContact O-N 3.15Å; L14-L247 HydrophobicContact CB-CB 3.89Å; L14-L247 PolarHBondContact O-N 3.31Å; L14-I250 HydrophobicContact CD1-CD1 4Å; L14-I250 HydrophobicContact CD2-CD1 4.34Å
15Q91.7Very high92.3Very high64 Ų6472.6 Ų72.630%0.29935%0.35SS..Hα-helixtrans-82.7-29.1174.7-173.2-177.61.600112.7A11 I12 P17 W172 L247A11-Q15 WeakPolarHBondContact O-CB 3.35Å; A11-Q15 PolarHBondContact O-N 2.92Å; I12-Q15 PolarHBondContact O-N 3.03Å; Q15-P17 VanDerWaalsContact O-CD 3.29Å; Q15-P17 WeakPolarHBondContact O-CD 3.06Å; Q15-P17 VanDerWaalsContact O-N 3.11Å; Q15-W172 VanDerWaalsContact NE2-NE1 3.16Å; Q15-L247 HydrophobicContact CB-CD2 4.34Å
16E92.1Very high92.7Very high59 Ų5974.4 Ų74.428%0.27636%0.363SS..  trans-38.5111178.9-84171.8-163.900113.4I12 R13 Q18 R19I12-E16 PolarHBondContact O-N 2.71Å; I12-E16 VanDerWaalsContact O-N 3.11Å; R13-E16 WeakPolarHBondContact CG-OE1 3.28Å; E16-Q18 PolarHBondContact O-N 3.03Å; E16-Q18 VanDerWaalsContact O-N 3.08Å; E16-R19 HydrophobicContact CB-CG 3.74Å; E16-R19 WeakPolarHBondContact O-CB 3.36Å; E16-R19 PolarHBondContact O-N 2.81Å; E16-R19 IonicContact OE2-CZ 3.86Å; E16-R19 VanDerWaalsContact OE2-CZ 3.26Å; E16-R19 IonicContact OE2-NE 3.7Å; E16-R19 PolarHBondContact OE2-NE 2.69Å; E16-R19 IonicContact OE2-NH2 2.66Å; E16-R19 PolarHBondContact OE2-NH2 3.26Å
17P92.7Very high92.8Very high39 Ų3967.1 Ų67.125%0.25334%0.336SS..Hα-helixtrans-58.1-26.8176.9-27.236.1000113.1Q15 R19 V20 A21 A176 P179 V180Q15-P17 VanDerWaalsContact O-CD 3.29Å; Q15-P17 WeakPolarHBondContact O-CD 3.06Å; Q15-P17 VanDerWaalsContact O-N 3.11Å; P17-R19 PolarHBondContact O-N 3.27Å; P17-V20 PolarHBondContact O-N 3.17Å; P17-A21 WeakPolarHBondContact O-CB 3.31Å; P17-A21 PolarHBondContact O-N 3.42Å; P17-A176 HydrophobicContact CG-CB 4.31Å; P17-P179 HydrophobicContact CB-CG 4.27Å; P17-V180 HydrophobicContact CB-CG2 3.75Å; P17-V180 WeakPolarHBondContact O-CG2 3.5Å
18Q93.6Very high92.9Very high110 Ų11062.8 Ų62.851%0.51432%0.315SS..Hα-helixtrans-58.3-28.5172.2-70.2-67.6-7.700113.6E16 S22E16-Q18 PolarHBondContact O-N 3.03Å; E16-Q18 VanDerWaalsContact O-N 3.08Å; Q18-S22 WeakPolarHBondContact O-CB 3.03Å; Q18-S22 PolarHBondContact O-N 3.02Å
19R93.9Very high92.9Very high125 Ų12560.3 Ų60.347%0.47230%0.295SS..Hα-helixtrans-71-44.9175.2-59.6-68.3168-179.9-7.4111.3R13 E16 P17 S22 F23 I246R13-R19 WeakPolarHBondContact O-CG 3.05Å; E16-R19 HydrophobicContact CB-CG 3.74Å; E16-R19 WeakPolarHBondContact O-CB 3.36Å; E16-R19 PolarHBondContact O-N 2.81Å; E16-R19 IonicContact OE2-CZ 3.86Å; E16-R19 VanDerWaalsContact OE2-CZ 3.26Å; E16-R19 IonicContact OE2-NE 3.7Å; E16-R19 PolarHBondContact OE2-NE 2.69Å; E16-R19 IonicContact OE2-NH2 2.66Å; E16-R19 PolarHBondContact OE2-NH2 3.26Å; P17-R19 PolarHBondContact O-N 3.27Å; R19-S22 PolarHBondContact O-N 2.79Å; R19-F23 PolarHBondContact O-N 3.14Å; R19-I246 HydrophobicContact CB-CD1 3.88Å; R19-I246 HydrophobicContact CB-CG1 4.5Å
20V94.7Very high92.7Very high0 Ų059.6 Ų59.60%029%0.289CS..Hα-helixtrans-61.8-49.4175.7-173.80000109.5P17 S22 F23 Q24 V180 I239P17-V20 PolarHBondContact O-N 3.17Å; V20-S22 VanDerWaalsContact C-N 3.28Å; V20-S22 PolarHBondContact O-N 2.67Å; V20-F23 PolarHBondContact O-N 3.27Å; V20-F23 VanDerWaalsContact O-N 3.14Å; V20-Q24 WeakPolarHBondContact O-CB 3.2Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 3.14Å; V20-V180 HydrophobicContact CB-CG1 4.31Å; V20-V180 HydrophobicContact CB-CG2 3.75Å; V20-V180 HydrophobicContact CG1-CB 4.49Å; V20-V180 HydrophobicContact CG1-CG1 3.62Å; V20-V180 HydrophobicContact CG1-CG2 4.01Å; V20-I239 HydrophobicContact CB-CG2 4.38Å; V20-I239 HydrophobicContact CG1-CG2 3.98Å; V20-I239 VanDerWaalsContact CG1-O 3.3Å; V20-I239 WeakPolarHBondContact CG1-O 3.17Å; V20-I239 HydrophobicContact CG2-CG2 4.32Å
21A93.6Very high92Very high4 Ų459.8 Ų59.83%0.03329%0.294CS..Hα-helixtrans-64.7-26.7176.100000113.8P17 R25 P179 V180P17-A21 WeakPolarHBondContact O-CB 3.31Å; P17-A21 PolarHBondContact O-N 3.42Å; A21-R25 WeakPolarHBondContact O-CG 3.08Å; A21-R25 PolarHBondContact O-N 2.87Å; A21-R25 PolarHBondContact O-NE 3.39Å; A21-P179 HydrophobicContact CB-CB 3.95Å; A21-P179 HydrophobicContact CB-CG 3.97Å; A21-P179 WeakPolarHBondContact CB-O 3.25Å; A21-V180 HydrophobicContact CB-CG2 4.25Å
22S94.6Very high91Very high64 Ų6460.5 Ų60.545%0.44830%0.296SS..Hα-helixtrans-74.8-39.7172.1-170.20000112Q18 R19 V20 L26Q18-S22 WeakPolarHBondContact O-CB 3.03Å; Q18-S22 PolarHBondContact O-N 3.02Å; R19-S22 PolarHBondContact O-N 2.79Å; V20-S22 VanDerWaalsContact C-N 3.28Å; V20-S22 PolarHBondContact O-N 2.67Å; S22-L26 WeakPolarHBondContact O-CB 3.17Å; S22-L26 PolarHBondContact O-N 3.4Å
23F95.2Very high89.3Confident43 Ų4363.9 Ų63.919%0.18931%0.314CS..Hα-helixtrans-65.4-44.5174.2-179.4-107.1000111.3R19 V20 R25 L26 C27 F121 L236 I239R19-F23 PolarHBondContact O-N 3.14Å; V20-F23 PolarHBondContact O-N 3.27Å; V20-F23 VanDerWaalsContact O-N 3.14Å; F23-R25 PolarHBondContact O-N 2.98Å; F23-L26 WeakPolarHBondContact O-CB 3.13Å; F23-L26 PolarHBondContact O-N 2.9Å; F23-C27 WeakPolarHBondContact O-CB 3.34Å; F23-C27 PolarHBondContact O-N 2.94Å; F23-C27 PolarHBondContact O-SG 3.47Å; F23-F121 HydrophobicContact CE1-CZ 4.39Å; F23-F121 HydrophobicContact CZ-CE2 4.43Å; F23-F121 AromaticContact CZ-CZ 3.96Å; F23-F121 HydrophobicContact CZ-CZ 3.96Å; F23-L236 HydrophobicContact CE2-CD2 4.19Å; F23-L236 HydrophobicContact CZ-CB 4.18Å; F23-L236 HydrophobicContact CZ-CD2 3.88Å; F23-I239 HydrophobicContact CB-CG2 4.21Å; F23-I239 HydrophobicContact CD1-CB 3.96Å; F23-I239 HydrophobicContact CD1-CG2 3.53Å; F23-I239 HydrophobicContact CE1-CB 4.1Å; F23-I239 HydrophobicContact CE1-CG2 4.17Å; F23-I239 HydrophobicContact CG-CG2 4.07Å
24Q94.6Very high87.4Confident2 Ų261.5 Ų61.51%0.00933%0.329CS..Hα-helixtrans-54.8-49173.5-76.7-174.8-39.700112.3V20 C27 G28 V29 I181 Y240V20-Q24 WeakPolarHBondContact O-CB 3.2Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 3.14Å; Q24-C27 CarbonylContact O-C 3.44Å; Q24-C27 PolarHBondContact O-N 3.21Å; Q24-G28 PolarHBondContact O-N 3.36Å; Q24-G28 VanDerWaalsContact O-N 3.11Å; Q24-V29 HydrophobicContact CB-CB 4.17Å; Q24-V29 PolarHBondContact O-N 2.93Å; Q24-I181 PolarHBondContact NE2-O 3.29Å; Q24-Y240 WeakPolarHBondContact CG-O 3.48Å; Q24-Y240 PolarHBondContact NE2-O 2.95Å
25R93.6Very high85.1Confident138 Ų13863.3 Ų63.352%0.52135%0.345SS..Hα-helixtrans-62.7-43.2175.4-76.8176.1-71.7165-5.2113A21 F23 C27 G28 V29A21-R25 WeakPolarHBondContact O-CG 3.08Å; A21-R25 PolarHBondContact O-N 2.87Å; A21-R25 PolarHBondContact O-NE 3.39Å; F23-R25 PolarHBondContact O-N 2.98Å; R25-C27 PolarHBondContact O-N 3.24Å; R25-G28 PolarHBondContact O-N 2.89Å; R25-V29 WeakPolarHBondContact CA-O 3.35Å
26L94.4Very high82.4Confident145 Ų14565.1 Ų65.176%0.75936%0.362SS*.Hα-helixtrans-59.7-35.3174.6-18065.1000111.9S22 F23 G28S22-L26 WeakPolarHBondContact O-CB 3.17Å; S22-L26 PolarHBondContact O-N 3.4Å; F23-L26 WeakPolarHBondContact O-CB 3.13Å; F23-L26 PolarHBondContact O-N 2.9Å; L26-G28 VanDerWaalsContact C-N 3.29Å; L26-G28 PolarHBondContact O-N 3.46Å
27C94Very high79.8Confident9 Ų968.6 Ų68.66%0.06138%0.376CS..THydrogen-bonded Turntrans-87.211.6175-60.60000113.8F23 Q24 R25 L117 F121 Y240F23-C27 WeakPolarHBondContact O-CB 3.34Å; F23-C27 PolarHBondContact O-N 2.94Å; F23-C27 PolarHBondContact O-SG 3.47Å; Q24-C27 CarbonylContact O-C 3.44Å; Q24-C27 PolarHBondContact O-N 3.21Å; R25-C27 PolarHBondContact O-N 3.24Å; C27-L117 HydrophobicContact CB-CD2 3.59Å; C27-L117 HydrophobicContact CB-CG 4.4Å; C27-F121 HydrophobicContact CB-CE2 4.33Å; C27-Y240 HydrophobicContact CB-CD2 3.57Å; C27-Y240 HydrophobicContact CB-CE2 3.48Å; C27-Y240 VanDerWaalsContact CB-CE2 3.48Å
28G91.6Very high77.1Confident7 Ų772.1 Ų72.17%0.07241%0.409CS..THydrogen-bonded Turntrans80.231.117200000115.8Q24 R25 L26 V112 S113Q24-G28 PolarHBondContact O-N 3.36Å; Q24-G28 VanDerWaalsContact O-N 3.11Å; R25-G28 PolarHBondContact O-N 2.89Å; L26-G28 VanDerWaalsContact C-N 3.29Å; L26-G28 PolarHBondContact O-N 3.46Å; G28-V112 CarbonylContact O-C 3.51Å; G28-V112 WeakPolarHBondContact O-CA 3.48Å; G28-S113 VanDerWaalsContact CA-OG 3.23Å; G28-S113 WeakPolarHBondContact CA-OG 3.48Å; G28-S113 PolarHBondContact O-N 2.05Å; G28-S113 PolarHBondContact O-OG 3.21Å
29V90.4Very high74.3Confident0 Ų070.2 Ų70.20%042%0.419CS..EExtended strand (participates in β ladder)trans-109.6124.7173.2-169.20000109.8Q24 R25 A110 K111 I181 L183 Y240Q24-V29 HydrophobicContact CB-CB 4.17Å; Q24-V29 PolarHBondContact O-N 2.93Å; R25-V29 WeakPolarHBondContact CA-O 3.35Å; V29-A110 HydrophobicContact CG1-CB 4.32Å; V29-K111 WeakPolarHBondContact CA-O 3.36Å; V29-I181 HydrophobicContact CG1-CB 4.47Å; V29-I181 HydrophobicContact CG1-CD1 3.96Å; V29-I181 HydrophobicContact CG1-CG2 4.43Å; V29-L183 HydrophobicContact CG1-CD1 4.32Å; V29-L183 HydrophobicContact CG1-CD2 4.15Å; V29-L183 HydrophobicContact CG2-CD1 4.25Å; V29-Y240 HydrophobicContact CG2-CD2 4.25Å; V29-Y240 HydrophobicContact CG2-CE1 4.37Å; V29-Y240 HydrophobicContact CG2-CE2 3.36Å; V29-Y240 VanDerWaalsContact CG2-CZ 3.44Å; V29-Y240 VanDerWaalsContact CG2-OH 3.3Å; V29-Y240 WeakPolarHBondContact CG2-OH 3.5Å
30E86.8Confident71.5Confident73 Ų7370.2 Ų70.234%0.34142%0.424SS..EExtended strand (participates in β ladder)trans-134.5152.8-174.7-63.2177155.100111.3K111 I181E30-K111 HydrophobicContact CB-CB 4.37Å; E30-K111 HydrophobicContact CB-CD 4.44Å; E30-K111 PolarHBondContact N-O 3.05Å; E30-K111 WeakPolarHBondContact O-CB 3.39Å; E30-K111 PolarHBondContact O-N 3.4Å; E30-K111 WeakPolarHBondContact OE2-CD 3.3Å; E30-K111 WeakPolarHBondContact OE2-CE 3.41Å; E30-K111 IonicContact OE2-NZ 3.58Å; E30-K111 PolarHBondContact OE2-NZ 2.92Å; E30-I181 VanDerWaalsContact C-CD1 3.49Å
31V77.2Confident68.5Low83 Ų8376.8 Ų76.850%0.50346%0.459SS..  trans-71.6134.1166.5-175.90000108.5L33 I181V31-L33 PolarHBondContact O-N 3.33Å; V31-I181 HydrophobicContact CG2-CD1 3.8Å; V31-I181 HydrophobicContact CG2-CG1 4.07Å
32P69.6Low65.7Low45 Ų4581.1 Ų81.129%0.29250%0.495SS..  trans-58.6127.1173.2-24.534.1000111.9G34 S35 L109 K111P32-G34 PolarHBondContact O-N 2.8Å; P32-G34 VanDerWaalsContact O-N 3.12Å; P32-S35 PolarHBondContact O-N 3.2Å; P32-L109 WeakPolarHBondContact CD-O 3.13Å; P32-L109 HydrophobicContact CG-CB 4.25Å; P32-L109 VanDerWaalsContact CG-O 3.25Å; P32-L109 WeakPolarHBondContact CG-O 2.98Å; P32-K111 HydrophobicContact CG-CB 4.46Å
33L55Low62.8Low166 Ų16687.1 Ų87.187%0.86952%0.516SS*.THydrogen-bonded Turntrans-61.9115.7168.4-73.180.9000108V31V31-L33 PolarHBondContact O-N 3.33Å
34G53.6Low59.8Low77 Ų7791 Ų9179%0.79454%0.543SS*.THydrogen-bonded Turntrans129.2-11.9-172.300000114.6P32P32-G34 PolarHBondContact O-N 2.8Å; P32-G34 VanDerWaalsContact O-N 3.12Å
35S43.8Very low56.8Low77 Ų77100.2 Ų100.254%0.53859%0.586SS.*SBendtrans-65.2133161.5-168.40000109.5P32P32-S35 PolarHBondContact O-N 3.2Å
36P35.9Very low54Low101 Ų101100.4 Ų100.466%0.65660%0.603SS**  trans-62.1138.6174.126.9-33.8000109.9A38P36-A38 PolarHBondContact O-N 3.15Å; P36-A38 VanDerWaalsContact O-N 3.14Å
37K36.4Very low51Low132 Ų132105.9 Ų105.957%0.57461%0.613SS**  trans-66.6113.6170.6-74.2170.7174178.30108.1G39 E40K37-G39 VanDerWaalsContact C-N 3.27Å; K37-G39 PolarHBondContact O-N 3.38Å; K37-E40 HydrophobicContact CD-CG 4.35Å; K37-E40 WeakPolarHBondContact CD-OE2 3.39Å; K37-E40 WeakPolarHBondContact CE-OE2 3.24Å; K37-E40 IonicContact NZ-OE1 3.18Å; K37-E40 PolarHBondContact NZ-OE1 2.81Å; K37-E40 IonicContact NZ-OE2 2.71Å; K37-E40 PolarHBondContact NZ-OE2 3.2Å
38A36.1Very low48Very low113 Ų113109.4 Ų109.493%0.93465%0.651SS**THydrogen-bonded Turntrans-65.189.1166.400000109.6P36P36-A38 PolarHBondContact O-N 3.15Å; P36-A38 VanDerWaalsContact O-N 3.14Å
39G36.4Very low45.4Very low71 Ų71113.8 Ų113.873%0.73269%0.687SS**THydrogen-bonded Turntrans160.2-13.7178.500000118.3K37K37-G39 VanDerWaalsContact C-N 3.27Å; K37-G39 PolarHBondContact O-N 3.38Å
40E34.6Very low42.7Very low124 Ų124120.4 Ų120.458%0.57973%0.73SS**SBendtrans-112-20.8-173.5-74.4176.7176.800115.6K37K37-E40 HydrophobicContact CD-CG 4.35Å; K37-E40 WeakPolarHBondContact CD-OE2 3.39Å; K37-E40 WeakPolarHBondContact CE-OE2 3.24Å; K37-E40 IonicContact NZ-OE1 3.18Å; K37-E40 PolarHBondContact NZ-OE1 2.81Å; K37-E40 IonicContact NZ-OE2 2.71Å; K37-E40 PolarHBondContact NZ-OE2 3.2Å
41D32.2Very low40.3Very low139 Ų139120.7 Ų120.774%0.74375%0.752SS**SBendtrans-96.512.7-171-59.3-48.7000115.3
42A33.9Very low38.3Very low95 Ų95123.3 Ų123.379%0.78576%0.763SS**SBendtrans-98.7-9.9-169.100000116.3
43E34.5Very low36.6Very low190 Ų190126.7 Ų126.789%0.88879%0.785SS**SBendtrans-114.42.5-169.7-64.9-164.5121.900115.4
44T32.2Very low35.7Very low124 Ų124129.4 Ų129.476%0.76178%0.784SS**SBendtrans-120.622-164.8-33.70000116.3
45E31.5Very low34.9Very low195 Ų195138 Ų13891%0.91179%0.792SS**SBendtrans-125.238.8173.9-77.4-148.4130.400115.1
46V33.3Very low34.5Very low143 Ų143146.2 Ų146.287%0.86781%0.812SS**  trans-130.555170.6-162.30000112.5
47R31.7Very low34.7Very low260 Ų260146.8 Ų146.898%0.98182%0.816SS**  trans-15494.1171.4-109.2-179-173.6-163.22.3113.8
48G32.2Very low34.7Very low83 Ų83152.3 Ų152.386%0.85683%0.833SS**  trans14594.3155.600000117.6
49A35.4Very low34.5Very low99 Ų99156.2 Ų156.282%0.81883%0.832SS**  trans168.5116.8137.400000111.4
50P33.5Very low34.6Very low139 Ų139158.8 Ų158.890%0.90384%0.838SS**  trans-88.8129.7165.532.9-29.3000111.1
51G36.8Very low34.6Very low79 Ų79156.3 Ų156.381%0.81485%0.846SS**  trans-155.992.6-174.900000116
52D35.7Very low34.9Very low137 Ų137154.1 Ų154.173%0.73385%0.847SS**  trans35.7116.9158.8-161.426.7000121.6
53P33.5Very low35Very low116 Ų116157.3 Ų157.375%0.75385%0.851SS**  trans-100.3108.1178.335.9-30.3000114.7
54R36.9Very low35Very low223 Ų223151 Ų15184%0.84284%0.838SS**  trans-158.597.5167.5-104147.8-162.2-136.76.3115.9
55R37.2Very low35.3Very low258 Ų258151.1 Ų151.197%0.97484%0.843SS**  176.5150.3127.7-94.7160.7-169.5-143.91111.8
56R35.8Very low35.5Very low249 Ų249147.6 Ų147.694%0.9484%0.837SS**  trans-116.3167.6-177.8-105.2-169173.6-176.7-1111.6
57P39.6Very low35.3Very low114 Ų114145.2 Ų145.274%0.7483%0.833SS**  trans-101.3-173.5-153.741.1-40.1000115.4
58R35Very low35.3Very low248 Ų248142.8 Ų142.894%0.93683%0.829SS**  trans-138.3156.2163-93.8-175.7168174.7-4.2111.8
59Q33.5Very low35.2Very low194 Ų194144 Ų14491%0.90782%0.822SS**  trans-128.3150.1-176.1-61.3165.9-67.100111.9
60S38Very low34.8Very low125 Ų125146.3 Ų146.387%0.87482%0.82SS**  trans178.1150.8144.6-128.30000106.7
61G33.5Very low34.5Very low72 Ų72146.2 Ų146.274%0.74282%0.821SS**  cis102.3118.421.400000109.6
62A38.4Very low34Very low93 Ų93149 Ų14977%0.76983%0.827SS**  cis-154.3-164.31.600000108.6
63D37Very low33.6Very low163 Ų163145.9 Ų145.987%0.87283%0.827SS**  cis-164.1-173.13.2-149.1-69000109.3
64G35Very low33.3Very low58 Ų58144.5 Ų144.560%0.59883%0.826SS**  trans124.285.314300000122.2
65S37Very low33.1Very low125 Ų125139.7 Ų139.787%0.87482%0.823SS**  trans71.2158.2147.9-68.10000121.8
66P35.5Very low32.7Very low121 Ų121135.3 Ų135.379%0.78682%0.819SS**  trans-135.8170.6-14543.2-26.2000119.9
67A30.3Very low32.3Very low94 Ų94127 Ų12778%0.77781%0.81SS**  trans73.2106145.900000122.3
68K30.6Very low32Very low209 Ų209128 Ų12891%0.90982%0.815SS**  -155.6151.2130-108.5174.9-175.9178.90109.8
69P31.5Very low31.6Very low108 Ų108125.9 Ų125.970%0.70181%0.807SS**  trans-95.1149.6-162.636-36000116
70D26.3Very low31.3Very low147 Ų147123.3 Ų123.379%0.78680%0.799SS**  trans38.8107.6141.4-52.5-25.6000121.2
71C27.2Very low30.9Very low137 Ų137121 Ų12193%0.92680%0.795SS**  trans-139.6108.6141.8-112.10000108.8
72C25.9Very low30.6Very low137 Ų137126.1 Ų126.193%0.92681%0.805SS**  trans-77.3132.7179.5-61.90000111.7
73G28.2Very low30Very low72 Ų72126.7 Ų126.774%0.74281%0.809SS**  trans176.558.3-179.900000113.3
74A27.6Very low29.6Very low87 Ų87123.7 Ų123.772%0.71981%0.807SS**  trans-70.7126.6-175.900000112.4N76A74-N76 PolarHBondContact O-N 3.08Å
75P31.1Very low29.3Very low122 Ų122129.6 Ų129.679%0.79282%0.819SS**  trans-88.5104-177.633.2-33.2000112.4G77P75-G77 PolarHBondContact O-N 3.37Å
76N30.3Very low29.1Very low167 Ų167129.4 Ų129.489%0.89382%0.815SS**  trans-89.485.9174.9-79.1-12.7000111.8A74A74-N76 PolarHBondContact O-N 3.08Å
77G26.9Very low29Very low73 Ų73126.7 Ų126.775%0.75381%0.809SS**  trans-127.671.5176.500000112.9P75P75-G77 PolarHBondContact O-N 3.37Å
78V33.5Very low29.1Very low137 Ų137128.1 Ų128.183%0.8381%0.81SS**  trans-147.5133.6-171.4175.40000108.2
79R26.9Very low29.1Very low203 Ų203125.1 Ų125.177%0.76681%0.81SS**  cis-174.3156.5-9.3-178.8-160.7165.8174.61.1109.1
80N26.6Very low29.5Very low140 Ų140122.8 Ų122.875%0.74981%0.805SS**  trans73.1143.9164-66-21.1000119.3
81G29.5Very low30.1Very low77 Ų77122 Ų12279%0.79481%0.808SS**  trans170117165.500000111
82L26.3Very low30.5Very low179 Ų179127.2 Ų127.294%0.93781%0.808SS**  trans-80.1153.6-176.7-78.9122.8000112.7
83A26Very low31.2Very low105 Ų105132.2 Ų132.287%0.86881%0.808SS**  trans-68.3145.8170.300000111.5
84A30Very low31.7Very low100 Ų100131.6 Ų131.683%0.82680%0.795SS**  trans-112.2140179.200000111.8
85E27.7Very low32.3Very low181 Ų181128.7 Ų128.785%0.84677%0.774SS**  trans-61.6148.7179.3-75.6-82.9105.400113.4G87E85-G87 PolarHBondContact O-N 3.35Å; E85-G87 VanDerWaalsContact O-N 3.1Å
86P33.8Very low32.9Very low121 Ų121128 Ų12879%0.78677%0.772SS**  trans-78.693.6179.532-34.4000112.6
87G33.3Very low33.9Very low64 Ų64124.3 Ų124.366%0.6675%0.752SS**  trans-61.1158.7169.300000114E85E85-G87 PolarHBondContact O-N 3.35Å; E85-G87 VanDerWaalsContact O-N 3.1Å
88P32.3Very low35.3Very low125 Ų125128.1 Ų128.181%0.81274%0.743SS**SBendtrans-70.1134.9-163.526.5-35.3000115.1G90P88-G90 PolarHBondContact O-N 2.93Å
89T31.3Very low36.4Very low146 Ų146129.2 Ų129.290%0.89673%0.733SS**  trans11.671.4159.8570000118.5
90G39.1Very low38.2Very low58 Ų58119.8 Ų119.860%0.59870%0.698SS**  trans-80.8171.1156.700000112.5P88 R92P88-G90 PolarHBondContact O-N 2.93Å; G90-R92 PolarHBondContact O-N 3.35Å
91P38.2Very low39.9Very low130 Ų130118 Ų11884%0.84470%0.696SS**SBendtrans-57.8138174.524.9-33.8000111.1R93P91-R93 PolarHBondContact O-N 3.41Å
92R36.3Very low41.4Very low247 Ų247116.1 Ų116.193%0.93267%0.668SS**  trans-49.5111.6-169.2-78.7-179.6168.4174.3-4.1112.4G90 A94G90-R92 PolarHBondContact O-N 3.35Å; R92-A94 VanDerWaalsContact C-N 3.31Å; R92-A94 PolarHBondContact O-N 3.09Å
93R40Very low43.3Very low243 Ų243109.8 Ų109.892%0.91764%0.636SS**  trans-67.983.7170.7-70.3-177.3177.2176.4-1.1110.5P91 G95P91-R93 PolarHBondContact O-N 3.41Å; R93-G95 PolarHBondContact O-N 2.79Å
94A38.4Very low45.2Very low58 Ų58106 Ų10648%0.47961%0.608SS.*  trans-74.763.5169.500000110.5R92 L115R92-A94 VanDerWaalsContact C-N 3.31Å; R92-A94 PolarHBondContact O-N 3.09Å; A94-L115 HydrophobicContact CB-CD2 4.41Å
95G42.1Very low47Very low27 Ų27104.3 Ų104.328%0.27858%0.583SS.*  trans-165.258.5-170.100000111R93 L109R93-G95 PolarHBondContact O-N 2.79Å; G95-L109 WeakPolarHBondContact O-CD2 3.31Å
96S41.6Very low49Very low107 Ų107101.4 Ų101.475%0.74857%0.569SS**  trans-65.8133.6164.8174.80000108.4R98S96-R98 VanDerWaalsContact C-N 3.28Å; S96-R98 PolarHBondContact O-N 3.19Å
97L52.7Low50.5Low90 Ų9096.3 Ų96.347%0.47154%0.539SS..  trans-59.392.3170.3-67.7169.9000108.7G107 L109L97-G107 WeakPolarHBondContact CD2-O 3.22Å; L97-L109 HydrophobicContact CD2-CD2 3.78Å; L97-L109 HydrophobicContact CD2-CG 3.96Å; L97-L109 HydrophobicContact CG-CD2 4.1Å
98R56.4Low52.3Low152 Ų15297.2 Ų97.257%0.57453%0.526SS*.  trans-61.3142.4165.3-77.3-176.6168.4-164.3-5.9107.1S96 G107 I185S96-R98 VanDerWaalsContact C-N 3.28Å; S96-R98 PolarHBondContact O-N 3.19Å; R98-G107 PolarHBondContact O-N 2.82Å; R98-I185 HydrophobicContact CB-CD1 3.61Å; R98-I185 WeakPolarHBondContact O-CD1 3.47Å
99R55.9Low54.1Low160 Ų16096.1 Ų96.160%0.60451%0.513SS*.BIsolated β-bridgetrans-125.1130.5177-171.6169.6-175.8178.8-5.7109.1S101 G104 E105 E106R99-S101 PolarHBondContact O-N 3.2Å; R99-G104 PolarHBondContact NE-O 3Å; R99-G104 PolarHBondContact NH2-O 2.86Å; R99-E105 CarbonylContact C-O 3.29Å; R99-E105 VanDerWaalsContact CA-O 3.28Å; R99-E105 WeakPolarHBondContact CA-O 3.45Å; R99-E105 WeakPolarHBondContact CG-O 3.23Å; R99-E106 HydrophobicContact CB-CG 4.37Å; R99-E106 WeakPolarHBondContact CD-OE1 3.43Å; R99-E106 HydrophobicContact CG-CG 3.86Å; R99-E106 IonicContact CZ-OE1 2.69Å; R99-E106 IonicContact NE-OE1 3.47Å; R99-E106 IonicContact NH1-OE1 2.67Å; R99-E106 PolarHBondContact NH1-OE1 2.94Å
100N64.5Low56.4Low6 Ų690 Ų903%0.03248%0.476CS..  trans-65.4123175.4-174.7-30.1000108.7L102 T103 G104 E105 I185 F186N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.9Å; N100-L102 PolarHBondContact OD1-N 3.25Å; N100-T103 VanDerWaalsContact CB-OG1 3.23Å; N100-T103 WeakPolarHBondContact CB-OG1 3.41Å; N100-T103 PolarHBondContact ND2-OG1 3.49Å; N100-T103 VanDerWaalsContact ND2-OG1 3.08Å; N100-T103 PolarHBondContact OD1-N 3.42Å; N100-G104 WeakPolarHBondContact O-CA 3.4Å; N100-G104 PolarHBondContact O-N 3.31Å; N100-E105 HydrophobicContact CB-CB 4.22Å; N100-E105 PolarHBondContact N-O 3Å; N100-I185 HydrophobicContact CB-CG2 4.15Å; N100-I185 PolarHBondContact ND2-O 2.87Å; N100-I185 VanDerWaalsContact ND2-O 3.09Å; N100-F186 WeakPolarHBondContact ND2-CA 3.44Å; N100-F186 PolarHBondContact ND2-O 2.66Å; N100-F186 VanDerWaalsContact ND2-O 3.17Å
101S63.8Low58.6Low103 Ų10391.8 Ų91.872%0.7247%0.468SS*.THydrogen-bonded Turntrans-77.7-12.3-175.353.30000114.1R99R99-S101 PolarHBondContact O-N 3.2Å
102L59.3Low61Low37 Ų3786.8 Ų86.819%0.19444%0.435CS..THydrogen-bonded Turntrans-101-48.4177.6-65.8174.1000112.2N100 F186 T303 Q396N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 2.9Å; N100-L102 PolarHBondContact OD1-N 3.25Å; L102-F186 HydrophobicContact CD1-CE2 3.72Å; L102-F186 HydrophobicContact CD1-CZ 3.68Å; L102-F186 HydrophobicContact CG-CE2 4.26Å; L102-T303 HydrophobicContact CD1-CG2 4.19Å; L102-Q396 PolarHBondContact O-NE2 3.03Å
103T66.5Low63.5Low45 Ų4578.8 Ų78.828%0.27642%0.417SS..THydrogen-bonded Turntrans-90.4-21.3-178.466.10000113.4N100 E105N100-T103 VanDerWaalsContact CB-OG1 3.23Å; N100-T103 WeakPolarHBondContact CB-OG1 3.41Å; N100-T103 PolarHBondContact ND2-OG1 3.49Å; N100-T103 VanDerWaalsContact ND2-OG1 3.08Å; N100-T103 PolarHBondContact OD1-N 3.42Å; T103-E105 VanDerWaalsContact C-N 3.28Å; T103-E105 PolarHBondContact O-N 2.91Å; T103-E105 VanDerWaalsContact OG1-CG 3.31Å; T103-E105 WeakPolarHBondContact OG1-CG 3.47Å; T103-E105 PolarHBondContact OG1-N 3.03Å; T103-E105 PolarHBondContact OG1-OE2 2.81Å
104G66.3Low66Low26 Ų2670.2 Ų70.227%0.26839%0.389SS..  trans79.50.2-174.800000115.1R99 N100R99-G104 PolarHBondContact NE-O 3Å; R99-G104 PolarHBondContact NH2-O 2.86Å; N100-G104 WeakPolarHBondContact O-CA 3.4Å; N100-G104 PolarHBondContact O-N 3.31Å
105E67Low68.5Low65 Ų6571.1 Ų71.130%0.30439%0.385SS..PPolyproline II helixtrans-60.7139.9178.4-69.2169.413000112.7R99 N100 T103 I185 N188R99-E105 CarbonylContact C-O 3.29Å; R99-E105 VanDerWaalsContact CA-O 3.28Å; R99-E105 WeakPolarHBondContact CA-O 3.45Å; R99-E105 WeakPolarHBondContact CG-O 3.23Å; N100-E105 HydrophobicContact CB-CB 4.22Å; N100-E105 PolarHBondContact N-O 3Å; T103-E105 VanDerWaalsContact C-N 3.28Å; T103-E105 PolarHBondContact O-N 2.91Å; T103-E105 VanDerWaalsContact OG1-CG 3.31Å; T103-E105 WeakPolarHBondContact OG1-CG 3.47Å; T103-E105 PolarHBondContact OG1-N 3.03Å; T103-E105 PolarHBondContact OG1-OE2 2.81Å; E105-I185 HydrophobicContact CB-CG2 3.79Å; E105-N188 PolarHBondContact OE1-ND2 3.32Å
106E69.9Low71Confident119 Ų11974.6 Ų74.656%0.55640%0.403SS*.BIsolated β-bridgetrans-103.9143.7178-63.2-172.4171.400111R99R99-E106 HydrophobicContact CB-CG 4.37Å; R99-E106 WeakPolarHBondContact CD-OE1 3.43Å; R99-E106 HydrophobicContact CG-CG 3.86Å; R99-E106 IonicContact CZ-OE1 2.69Å; R99-E106 IonicContact NE-OE1 3.47Å; R99-E106 IonicContact NH1-OE1 2.67Å; R99-E106 PolarHBondContact NH1-OE1 2.94Å
107G66.7Low73.5Confident15 Ų1571.3 Ų71.316%0.15538%0.377CS..PPolyproline II helixtrans-77.3161.3-174.500000115L97 R98L97-G107 WeakPolarHBondContact CD2-O 3.22Å; R98-G107 PolarHBondContact O-N 2.82Å
108E69.4Low75.4Confident82 Ų8269.4 Ų69.438%0.38336%0.364SS..PPolyproline II helixtrans-76.2139.7171.9-68.9162.5-174.600110.9A110 S177 I181 K182E108-A110 PolarHBondContact O-N 3.47Å; E108-S177 VanDerWaalsContact CD-OG 3.26Å; E108-S177 WeakPolarHBondContact OE1-CB 3.31Å; E108-S177 PolarHBondContact OE1-OG 3.36Å; E108-S177 PolarHBondContact OE2-OG 3Å; E108-I181 VanDerWaalsContact OE2-CA 3.31Å; E108-I181 WeakPolarHBondContact OE2-CA 3.42Å; E108-K182 PolarHBondContact OE2-N 2.77Å
109L70.4Confident77.3Confident103 Ų10369.2 Ų69.254%0.53936%0.364SS..  trans-71.9112171.2-70.2173.7000109.4P32 G95 L97P32-L109 WeakPolarHBondContact CD-O 3.13Å; P32-L109 HydrophobicContact CG-CB 4.25Å; P32-L109 VanDerWaalsContact CG-O 3.25Å; P32-L109 WeakPolarHBondContact CG-O 2.98Å; G95-L109 WeakPolarHBondContact O-CD2 3.31Å; L97-L109 HydrophobicContact CD2-CD2 3.78Å; L97-L109 HydrophobicContact CD2-CG 3.96Å; L97-L109 HydrophobicContact CG-CD2 4.1Å
110A79.2Confident79.2Confident16 Ų1665.6 Ų65.613%0.13236%0.356CS..  trans-104.3145.3176.300000111.8V29 E108 I181 L183V29-A110 HydrophobicContact CG1-CB 4.32Å; E108-A110 PolarHBondContact O-N 3.47Å; A110-I181 HydrophobicContact CB-CG2 3.78Å; A110-L183 HydrophobicContact CB-CD2 3.52Å
111K85.9Confident80.7Confident97 Ų9765.9 Ų65.942%0.42236%0.357SS..EExtended strand (participates in β ladder)trans-99.7117.4165.7177.4-169.4167-153.70108.4V29 E30 P32V29-K111 WeakPolarHBondContact CA-O 3.36Å; E30-K111 HydrophobicContact CB-CB 4.37Å; E30-K111 HydrophobicContact CB-CD 4.44Å; E30-K111 PolarHBondContact N-O 3.05Å; E30-K111 WeakPolarHBondContact O-CB 3.39Å; E30-K111 PolarHBondContact O-N 3.4Å; E30-K111 WeakPolarHBondContact OE2-CD 3.3Å; E30-K111 WeakPolarHBondContact OE2-CE 3.41Å; E30-K111 IonicContact OE2-NZ 3.58Å; E30-K111 PolarHBondContact OE2-NZ 2.92Å; P32-K111 HydrophobicContact CG-CB 4.46Å
112V88.6Confident82.1Confident25 Ų2562.3 Ų62.315%0.15233%0.332CS..EExtended strand (participates in β ladder)trans-107.5118.2176.8177.90000109.4G28 L115 Y118G28-V112 CarbonylContact O-C 3.51Å; G28-V112 WeakPolarHBondContact O-CA 3.48Å; V112-L115 HydrophobicContact CG1-CD2 4.27Å; V112-Y118 HydrophobicContact CG1-CD2 4.09Å; V112-Y118 HydrophobicContact CG1-CG 4.03Å; V112-Y118 HydrophobicContact CG2-CD2 4.04Å; V112-Y118 HydrophobicContact CG2-CE2 4.42Å
113S89Confident83.9Confident79 Ų7966.3 Ų66.355%0.55235%0.348SS*.SBendtrans-93.2-33.4176.562.60000113.1G28 L115G28-S113 VanDerWaalsContact CA-OG 3.23Å; G28-S113 WeakPolarHBondContact CA-OG 3.48Å; G28-S113 PolarHBondContact O-N 2.05Å; G28-S113 PolarHBondContact O-OG 3.21Å; S113-L115 PolarHBondContact O-N 3.29Å
114N91.8Very high85.3Confident63 Ų6364.2 Ų64.234%0.33734%0.335SS..  trans-100.280.5-177.9-167.5-19.1000111.7P116 L117 Y118N114-P116 WeakPolarHBondContact OD1-CD 3.31Å; N114-L117 HydrophobicContact CB-CB 4.16Å; N114-L117 VanDerWaalsContact CG-CB 3.42Å; N114-L117 PolarHBondContact O-N 3.14Å; N114-L117 WeakPolarHBondContact OD1-CB 3.25Å; N114-L117 PolarHBondContact OD1-N 3.47Å; N114-Y118 PolarHBondContact O-N 2.84Å
115L92Very high86.6Confident76 Ų7663.1 Ų63.140%0.39832%0.323SS..Hα-helixtrans-60.5-42.5-177.8-68.6173.7000114.8A94 V112 S113 L117 Y118 Y119A94-L115 HydrophobicContact CB-CD2 4.41Å; V112-L115 HydrophobicContact CG1-CD2 4.27Å; S113-L115 PolarHBondContact O-N 3.29Å; L115-L117 VanDerWaalsContact C-N 3.3Å; L115-L117 PolarHBondContact O-N 2.69Å; L115-Y118 WeakPolarHBondContact O-CB 3.3Å; L115-Y118 PolarHBondContact O-N 3.02Å; L115-Y119 HydrophobicContact CB-CE2 4.33Å; L115-Y119 WeakPolarHBondContact O-CD2 3.48Å; L115-Y119 PolarHBondContact O-N 3.32Å
116P94.2Very high88Confident100 Ų10063.5 Ų63.565%0.64933%0.325SS*.Hα-helixtrans-58.7-41.2176.1-2635.4000112.9N114 Y119 L120N114-P116 WeakPolarHBondContact OD1-CD 3.31Å; P116-Y119 PolarHBondContact O-N 2.95Å; P116-L120 WeakPolarHBondContact O-CB 3.41Å; P116-L120 PolarHBondContact O-N 3.39Å
117L94Very high89.2Confident39 Ų3958.4 Ų58.420%0.20430%0.302CS..Hα-helixtrans-71.7-36.8179.6-171.756.4000112.2C27 N114 L115 L120 F121C27-L117 HydrophobicContact CB-CD2 3.59Å; C27-L117 HydrophobicContact CB-CG 4.4Å; N114-L117 HydrophobicContact CB-CB 4.16Å; N114-L117 VanDerWaalsContact CG-CB 3.42Å; N114-L117 PolarHBondContact O-N 3.14Å; N114-L117 WeakPolarHBondContact OD1-CB 3.25Å; N114-L117 PolarHBondContact OD1-N 3.47Å; L115-L117 VanDerWaalsContact C-N 3.3Å; L115-L117 PolarHBondContact O-N 2.69Å; L117-L120 HydrophobicContact CD1-CD2 4.23Å; L117-L120 PolarHBondContact O-N 2.75Å; L117-F121 HydrophobicContact CD1-CD2 3.88Å; L117-F121 HydrophobicContact CD1-CE2 3.36Å; L117-F121 HydrophobicContact CD1-CZ 3.73Å; L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 HydrophobicContact CG-CD2 3.85Å; L117-F121 HydrophobicContact CG-CE2 3.5Å; L117-F121 VanDerWaalsContact CG-CE2 3.5Å; L117-F121 HydrophobicContact CG-CZ 4.35Å; L117-F121 VanDerWaalsContact O-CD2 3.28Å; L117-F121 WeakPolarHBondContact O-CD2 3.26Å; L117-F121 PolarHBondContact O-N 3.34Å
118Y93.5Very high90.4Very high49 Ų4957.9 Ų57.919%0.19230%0.296CS..Hα-helixtrans-57-52.2170172.3-94.5000111.6V112 N114 L115 L120 F121 C122 Y240V112-Y118 HydrophobicContact CG1-CD2 4.09Å; V112-Y118 HydrophobicContact CG1-CG 4.03Å; V112-Y118 HydrophobicContact CG2-CD2 4.04Å; V112-Y118 HydrophobicContact CG2-CE2 4.42Å; N114-Y118 PolarHBondContact O-N 2.84Å; L115-Y118 WeakPolarHBondContact O-CB 3.3Å; L115-Y118 PolarHBondContact O-N 3.02Å; Y118-L120 VanDerWaalsContact C-N 3.32Å; Y118-L120 PolarHBondContact O-N 3.05Å; Y118-F121 PolarHBondContact O-N 2.56Å; Y118-C122 VanDerWaalsContact CE1-SG 3.59Å; Y118-C122 VanDerWaalsContact CZ-SG 3.55Å; Y118-C122 PolarHBondContact O-N 2.97Å; Y118-C122 PolarHBondContact O-SG 3.21Å; Y118-C122 VanDerWaalsContact O-SG 3.34Å; Y118-Y240 WeakPolarHBondContact CA-OH 3.49Å; Y118-Y240 WeakPolarHBondContact CB-OH 3.35Å; Y118-Y240 AromaticContact CD2-CE1 3.98Å; Y118-Y240 HydrophobicContact CD2-CE1 3.98Å
119Y94.8Very high91.5Very high149 Ų14954.7 Ų54.758%0.58428%0.282SS*.Hα-helixtrans-64.4-35.7179.1-71-60.5000112.6L115 P116 C122 F123L115-Y119 HydrophobicContact CB-CE2 4.33Å; L115-Y119 WeakPolarHBondContact O-CD2 3.48Å; L115-Y119 PolarHBondContact O-N 3.32Å; P116-Y119 PolarHBondContact O-N 2.95Å; Y119-C122 PolarHBondContact O-N 2.92Å; Y119-F123 WeakPolarHBondContact O-CB 3.39Å; Y119-F123 PolarHBondContact O-N 2.74Å
120L96.5Very high92.5Very high83 Ų8353.1 Ų53.144%0.43527%0.272SS..Hα-helixtrans-61.3-44.6173.7-179.561.2000111.8P116 L117 Y118 F123 G124 L233P116-L120 WeakPolarHBondContact O-CB 3.41Å; P116-L120 PolarHBondContact O-N 3.39Å; L117-L120 HydrophobicContact CD1-CD2 4.23Å; L117-L120 PolarHBondContact O-N 2.75Å; Y118-L120 VanDerWaalsContact C-N 3.32Å; Y118-L120 PolarHBondContact O-N 3.05Å; L120-F123 PolarHBondContact O-N 3.26Å; L120-G124 PolarHBondContact O-N 2.83Å; L120-L233 HydrophobicContact CD1-CD1 3.67Å; L120-L233 HydrophobicContact CD1-CD2 4.4Å; L120-L233 HydrophobicContact CG-CD1 3.74Å
121F95.9Very high93.2Very high12 Ų1257.4 Ų57.45%0.05329%0.292CS..Hα-helixtrans-77-25.5177-68-47.2000114F23 C27 L117 Y118 G124 T125 L236 S237 Y240 M241F23-F121 HydrophobicContact CE1-CZ 4.39Å; F23-F121 HydrophobicContact CZ-CE2 4.43Å; F23-F121 AromaticContact CZ-CZ 3.96Å; F23-F121 HydrophobicContact CZ-CZ 3.96Å; C27-F121 HydrophobicContact CB-CE2 4.33Å; L117-F121 HydrophobicContact CD1-CD2 3.88Å; L117-F121 HydrophobicContact CD1-CE2 3.36Å; L117-F121 HydrophobicContact CD1-CZ 3.73Å; L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 HydrophobicContact CG-CD2 3.85Å; L117-F121 HydrophobicContact CG-CE2 3.5Å; L117-F121 VanDerWaalsContact CG-CE2 3.5Å; L117-F121 HydrophobicContact CG-CZ 4.35Å; L117-F121 VanDerWaalsContact O-CD2 3.28Å; L117-F121 WeakPolarHBondContact O-CD2 3.26Å; L117-F121 PolarHBondContact O-N 3.34Å; Y118-F121 PolarHBondContact O-N 2.56Å; F121-G124 CarbonylContact O-C 3.6Å; F121-T125 WeakPolarHBondContact O-CB 3.24Å; F121-T125 PolarHBondContact O-N 3.27Å; F121-T125 PolarHBondContact O-OG1 3.09Å; F121-L236 HydrophobicContact CD1-CB 4.49Å; F121-L236 HydrophobicContact CE1-CB 3.61Å; F121-L236 HydrophobicContact CZ-CB 4.18Å; F121-S237 WeakPolarHBondContact O-CB 3.15Å; F121-Y240 HydrophobicContact CB-CD1 3.46Å; F121-Y240 VanDerWaalsContact CB-CD1 3.46Å; F121-Y240 HydrophobicContact CB-CE1 4.01Å; F121-Y240 HydrophobicContact CB-CG 3.87Å; F121-Y240 AromaticContact CD2-CD1 3.58Å; F121-Y240 HydrophobicContact CD2-CD1 3.58Å; F121-Y240 AromaticContact CD2-CD2 3.3Å; F121-Y240 HydrophobicContact CD2-CD2 3.3Å; F121-Y240 HydrophobicContact CD2-CE1 4.02Å; F121-Y240 AromaticContact CD2-CE2 3.77Å; F121-Y240 HydrophobicContact CD2-CE2 3.77Å; F121-Y240 AromaticContact CD2-CG 3.18Å; F121-Y240 HydrophobicContact CD2-CG 3.18Å; F121-Y240 AromaticContact CE2-CD2 3.55Å; F121-Y240 HydrophobicContact CE2-CD2 3.55Å; F121-Y240 HydrophobicContact CE2-CE2 4.15Å; F121-Y240 AromaticContact CE2-CG 3.79Å; F121-Y240 HydrophobicContact CE2-CG 3.79Å; F121-Y240 AromaticContact CG-CD1 3.87Å; F121-Y240 HydrophobicContact CG-CD1 3.87Å; F121-Y240 HydrophobicContact CG-CD2 4.29Å; F121-Y240 AromaticContact CG-CG 3.73Å; F121-Y240 HydrophobicContact CG-CG 3.73Å; F121-M241 VanDerWaalsContact C-CE 3.43Å; F121-M241 HydrophobicContact CB-CE 4.18Å; F121-M241 VanDerWaalsContact O-CE 3.32Å; F121-M241 WeakPolarHBondContact O-CE 3.45Å
122C94.2Very high93.6Very high28 Ų2854.3 Ų54.319%0.18928%0.278CS..Hα-helixtrans-60.3-53.9165-71.30000110Y118 Y119 G124 T125 E126 M241Y118-C122 VanDerWaalsContact CE1-SG 3.59Å; Y118-C122 VanDerWaalsContact CZ-SG 3.55Å; Y118-C122 PolarHBondContact O-N 2.97Å; Y118-C122 PolarHBondContact O-SG 3.21Å; Y118-C122 VanDerWaalsContact O-SG 3.34Å; Y119-C122 PolarHBondContact O-N 2.92Å; C122-G124 VanDerWaalsContact C-N 3.33Å; C122-G124 PolarHBondContact O-N 3.38Å; C122-T125 WeakPolarHBondContact O-CA 3.45Å; C122-T125 WeakPolarHBondContact O-CB 3.1Å; C122-T125 PolarHBondContact O-N 3.16Å; C122-E126 PolarHBondContact O-N 2.87Å; C122-M241 HydrophobicContact CB-CE 4.34Å
123F95.6Very high94Very high122 Ų12253.9 Ų53.954%0.53527%0.274SS..Hα-helixtrans-56.9-46176.3176.2-108.2000111.8Y119 L120 T125 E126 L127 L233Y119-F123 WeakPolarHBondContact O-CB 3.39Å; Y119-F123 PolarHBondContact O-N 2.74Å; L120-F123 PolarHBondContact O-N 3.26Å; F123-T125 PolarHBondContact O-N 3.17Å; F123-T125 VanDerWaalsContact O-N 3.17Å; F123-E126 PolarHBondContact O-N 3.06Å; F123-L127 HydrophobicContact CE1-CD1 4.06Å; F123-L127 HydrophobicContact CE1-CG 4.43Å; F123-L127 HydrophobicContact CE2-CD2 4.32Å; F123-L127 HydrophobicContact CZ-CD1 4.37Å; F123-L127 HydrophobicContact CZ-CD2 4.04Å; F123-L127 HydrophobicContact CZ-CG 4.37Å; F123-L127 WeakPolarHBondContact O-CG 3.1Å; F123-L127 PolarHBondContact O-N 3.08Å; F123-L233 HydrophobicContact CD1-CD2 4.05Å; F123-L233 HydrophobicContact CE1-CD2 4.19Å
124G96.4Very high94.3Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-64.7-12173.700000115.5L120 F121 C122 V234 S237L120-G124 PolarHBondContact O-N 2.83Å; F121-G124 CarbonylContact O-C 3.6Å; C122-G124 VanDerWaalsContact C-N 3.33Å; C122-G124 PolarHBondContact O-N 3.38Å; G124-V234 WeakPolarHBondContact O-CA 3.42Å; G124-S237 VanDerWaalsContact C-OG 3.23Å; G124-S237 PolarHBondContact O-OG 3.21Å
125T94.4Very high94.5Very high3 Ų351.7 Ų51.72%0.01826%0.255CS..Hα-helixtrans-90.4-43.4169.8-63.90000110.5F121 C122 F123 L127 G128 E184 S237 R238 M241F121-T125 WeakPolarHBondContact O-CB 3.24Å; F121-T125 PolarHBondContact O-N 3.27Å; F121-T125 PolarHBondContact O-OG1 3.09Å; C122-T125 WeakPolarHBondContact O-CA 3.45Å; C122-T125 WeakPolarHBondContact O-CB 3.1Å; C122-T125 PolarHBondContact O-N 3.16Å; F123-T125 PolarHBondContact O-N 3.17Å; F123-T125 VanDerWaalsContact O-N 3.17Å; T125-L127 PolarHBondContact O-N 3.34Å; T125-G128 PolarHBondContact O-N 2.95Å; T125-E184 WeakPolarHBondContact CG2-OE1 3.48Å; T125-S237 WeakPolarHBondContact OG1-CB 3.32Å; T125-S237 PolarHBondContact OG1-OG 2.83Å; T125-R238 VanDerWaalsContact CG2-NH1 3.26Å; T125-M241 WeakPolarHBondContact OG1-CG 3.46Å
126E95Very high94.7Very high74 Ų7449.2 Ų49.235%0.34624%0.241SC..Hα-helixtrans-60.1-30.5179.2-62.6-58.6166.400112.7C122 F123 G128 N129 F132C122-E126 PolarHBondContact O-N 2.87Å; F123-E126 PolarHBondContact O-N 3.06Å; E126-G128 PolarHBondContact O-N 3.45Å; E126-N129 PolarHBondContact O-N 3.33Å; E126-N129 PolarHBondContact OE2-ND2 2.93Å; E126-F132 WeakPolarHBondContact O-CB 3.49Å
127L95.7Very high94.9Very high12 Ų1244.7 Ų44.76%0.06321%0.212CC..THydrogen-bonded Turntrans-57.8-7.7171.2-67.2-179.9000114.8F123 T125 F132 W230 L233 V234F123-L127 HydrophobicContact CE1-CD1 4.06Å; F123-L127 HydrophobicContact CE1-CG 4.43Å; F123-L127 HydrophobicContact CE2-CD2 4.32Å; F123-L127 HydrophobicContact CZ-CD1 4.37Å; F123-L127 HydrophobicContact CZ-CD2 4.04Å; F123-L127 HydrophobicContact CZ-CG 4.37Å; F123-L127 WeakPolarHBondContact O-CG 3.1Å; F123-L127 PolarHBondContact O-N 3.08Å; T125-L127 PolarHBondContact O-N 3.34Å; L127-F132 HydrophobicContact CD2-CD2 3.68Å; L127-F132 HydrophobicContact CD2-CE2 3.76Å; L127-F132 HydrophobicContact CD2-CG 4.32Å; L127-F132 HydrophobicContact CD2-CZ 4.47Å; L127-F132 WeakPolarHBondContact O-CD1 3.34Å; L127-W230 HydrophobicContact CB-CZ2 4.41Å; L127-W230 HydrophobicContact CD1-CD2 4.38Å; L127-W230 HydrophobicContact CD1-CZ2 4.24Å; L127-W230 HydrophobicContact CD2-CH2 4.06Å; L127-W230 HydrophobicContact CD2-CZ2 3.87Å; L127-W230 HydrophobicContact CG-CZ2 4.4Å; L127-L233 HydrophobicContact CD1-CD2 4.14Å; L127-V234 HydrophobicContact CB-CG2 3.9Å; L127-V234 HydrophobicContact CD1-CG2 4.12Å
128G92.7Very high95Very high4 Ų442.9 Ų42.94%0.04120%0.202CC..THydrogen-bonded Turntrans-115.94.6171.600000115.6T125 E126 Y133T125-G128 PolarHBondContact O-N 2.95Å; E126-G128 PolarHBondContact O-N 3.45Å; G128-Y133 VanDerWaalsContact C-OH 3.26Å; G128-Y133 VanDerWaalsContact CA-OH 3.3Å; G128-Y133 WeakPolarHBondContact CA-OH 3.5Å; G128-Y133 WeakPolarHBondContact O-CE2 3.47Å; G128-Y133 VanDerWaalsContact O-CZ 3.32Å; G128-Y133 PolarHBondContact O-OH 3.3Å
129N91.9Very high95.2Very high14 Ų1444.5 Ų44.58%0.07521%0.21CC..SBendtrans-102.2165.5-173.9-69.1-11.5000113.2E126 L131 F132 Y133 Y187 H197E126-N129 PolarHBondContact O-N 3.33Å; E126-N129 PolarHBondContact OE2-ND2 2.93Å; N129-L131 PolarHBondContact O-N 2.81Å; N129-L131 VanDerWaalsContact O-N 3.13Å; N129-F132 PolarHBondContact O-N 3.44Å; N129-Y133 VanDerWaalsContact O-CD2 3.22Å; N129-Y133 WeakPolarHBondContact O-CD2 3.42Å; N129-Y133 PolarHBondContact O-N 2.94Å; N129-Y187 PolarHBondContact OD1-OH 3.02Å; N129-H197 PolarHBondContact OD1-NE2 3.09Å
130E91.9Very high95.2Very high71 Ų7138.4 Ų38.433%0.33219%0.186SC..Hα-helixtrans-44.9-46.7176.4-175.4-160.9176.500112F132 Y133 I134 R369 Y409E130-F132 VanDerWaalsContact C-N 3.29Å; E130-F132 PolarHBondContact O-N 2.86Å; E130-Y133 PolarHBondContact O-N 3.48Å; E130-I134 WeakPolarHBondContact O-CB 3.2Å; E130-I134 WeakPolarHBondContact O-CG2 3.25Å; E130-I134 PolarHBondContact O-N 3.38Å; E130-R369 IonicContact OE1-CZ 3.15Å; E130-R369 IonicContact OE1-NH1 2.75Å; E130-R369 PolarHBondContact OE1-NH1 3.26Å; E130-R369 IonicContact OE2-NH1 2.76Å; E130-Y409 WeakPolarHBondContact OE1-CE1 3.12Å; E130-Y409 VanDerWaalsContact OE1-CZ 3.31Å; E130-Y409 PolarHBondContact OE1-OH 3.16Å
131L92.3Very high95.1Very high106 Ų10635.1 Ų35.156%0.55517%0.169SC*.Hα-helixtrans-62.3-32.8-174.7-176.560.7000113.2N129 I135N129-L131 PolarHBondContact O-N 2.81Å; N129-L131 VanDerWaalsContact O-N 3.13Å; L131-I135 HydrophobicContact CD1-CD1 3.97Å; L131-I135 HydrophobicContact CG-CD1 4.4Å; L131-I135 WeakPolarHBondContact O-CD1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.21Å
132F96Very high95.1Very high31 Ų3135.3 Ų35.314%0.13617%0.169CC..Hα-helixtrans-72.5-51172.9168.3-104.6000110.8E126 L127 N129 E130 I134 I135 F136 I204 W230E126-F132 WeakPolarHBondContact O-CB 3.49Å; L127-F132 HydrophobicContact CD2-CD2 3.68Å; L127-F132 HydrophobicContact CD2-CE2 3.76Å; L127-F132 HydrophobicContact CD2-CG 4.32Å; L127-F132 HydrophobicContact CD2-CZ 4.47Å; L127-F132 WeakPolarHBondContact O-CD1 3.34Å; N129-F132 PolarHBondContact O-N 3.44Å; E130-F132 VanDerWaalsContact C-N 3.29Å; E130-F132 PolarHBondContact O-N 2.86Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 2.88Å; F132-I135 PolarHBondContact O-N 2.81Å; F132-I135 VanDerWaalsContact O-N 3.1Å; F132-F136 HydrophobicContact CD1-CB 4.42Å; F132-F136 HydrophobicContact CD2-CB 4.03Å; F132-F136 HydrophobicContact CE1-CB 4.01Å; F132-F136 HydrophobicContact CE1-CD1 4.06Å; F132-F136 AromaticContact CE1-CG 3.95Å; F132-F136 HydrophobicContact CE1-CG 3.95Å; F132-F136 HydrophobicContact CE2-CB 3.58Å; F132-F136 AromaticContact CE2-CD2 3.69Å; F132-F136 HydrophobicContact CE2-CD2 3.69Å; F132-F136 AromaticContact CE2-CG 3.7Å; F132-F136 HydrophobicContact CE2-CG 3.7Å; F132-F136 HydrophobicContact CG-CB 4.42Å; F132-F136 HydrophobicContact CZ-CB 3.54Å; F132-F136 AromaticContact CZ-CD1 3.75Å; F132-F136 HydrophobicContact CZ-CD1 3.75Å; F132-F136 AromaticContact CZ-CD2 3.48Å; F132-F136 HydrophobicContact CZ-CD2 3.48Å; F132-F136 VanDerWaalsContact CZ-CD2 3.48Å; F132-F136 HydrophobicContact CZ-CE1 4.33Å; F132-F136 HydrophobicContact CZ-CE2 4.1Å; F132-F136 AromaticContact CZ-CG 3.28Å; F132-F136 HydrophobicContact CZ-CG 3.28Å; F132-F136 HydrophobicContact CZ-CZ 4.49Å; F132-F136 WeakPolarHBondContact O-CB 3.26Å; F132-F136 PolarHBondContact O-N 3.07Å; F132-I204 HydrophobicContact CE1-CD1 4.03Å; F132-W230 HydrophobicContact CE1-CZ2 4.04Å; F132-W230 AromaticContact CE2-CH2 3.72Å; F132-W230 HydrophobicContact CE2-CH2 3.72Å; F132-W230 AromaticContact CE2-CZ2 3.89Å; F132-W230 HydrophobicContact CE2-CZ2 3.89Å; F132-W230 AromaticContact CZ-CH2 3.52Å; F132-W230 HydrophobicContact CZ-CH2 3.52Å; F132-W230 AromaticContact CZ-CZ2 3.4Å; F132-W230 HydrophobicContact CZ-CZ2 3.4Å; F132-W230 VanDerWaalsContact CZ-CZ2 3.4Å
133Y96.4Very high95.1Very high17 Ų1735.4 Ų35.47%0.06717%0.168CC..Hα-helixtrans-60.5-41.5-176.5-55.6-49.4000112.7G128 N129 E130 I135 F137 W156 S200 I204G128-Y133 VanDerWaalsContact C-OH 3.26Å; G128-Y133 VanDerWaalsContact CA-OH 3.3Å; G128-Y133 WeakPolarHBondContact CA-OH 3.5Å; G128-Y133 WeakPolarHBondContact O-CE2 3.47Å; G128-Y133 VanDerWaalsContact O-CZ 3.32Å; G128-Y133 PolarHBondContact O-OH 3.3Å; N129-Y133 VanDerWaalsContact O-CD2 3.22Å; N129-Y133 WeakPolarHBondContact O-CD2 3.42Å; N129-Y133 PolarHBondContact O-N 2.94Å; E130-Y133 PolarHBondContact O-N 3.48Å; Y133-I135 PolarHBondContact O-N 3.3Å; Y133-F137 AromaticContact CD1-CE2 3.75Å; Y133-F137 HydrophobicContact CD1-CE2 3.75Å; Y133-F137 HydrophobicContact CD1-CZ 4.13Å; Y133-F137 HydrophobicContact CG-CE2 4.05Å; Y133-F137 WeakPolarHBondContact O-CD2 3.49Å; Y133-F137 PolarHBondContact O-N 3.33Å; Y133-W156 HydrophobicContact CD1-CZ2 4.47Å; Y133-W156 AromaticContact CD1-NE1 3.45Å; Y133-W156 AromaticContact CD2-CE2 4Å; Y133-W156 AromaticContact CD2-CZ2 3.7Å; Y133-W156 HydrophobicContact CD2-CZ2 3.7Å; Y133-W156 AromaticContact CD2-NE1 3.8Å; Y133-W156 AromaticContact CE1-CD1 3.7Å; Y133-W156 AromaticContact CE1-NE1 3.2Å; Y133-W156 HydrophobicContact CE2-CZ2 4.09Å; Y133-W156 AromaticContact CE2-NE1 3.57Å; Y133-W156 AromaticContact CG-CE2 3.96Å; Y133-W156 AromaticContact CG-CZ2 3.92Å; Y133-W156 HydrophobicContact CG-CZ2 3.92Å; Y133-W156 AromaticContact CG-NE1 3.76Å; Y133-W156 AromaticContact CZ-NE1 3.27Å; Y133-W156 VanDerWaalsContact CZ-NE1 3.27Å; Y133-S200 WeakPolarHBondContact OH-CB 3.41Å; Y133-S200 PolarHBondContact OH-OG 2.96Å; Y133-I204 HydrophobicContact CD1-CD1 4.26Å; Y133-I204 HydrophobicContact CE1-CD1 3.79Å
134I94.5Very high94.9Very high18 Ų1833.5 Ų33.59%0.09216%0.163CC..Hα-helixtrans-70.4-11.8179.8-155.9173.1000113.5E130 F132 P138 M362 V365E130-I134 WeakPolarHBondContact O-CB 3.2Å; E130-I134 WeakPolarHBondContact O-CG2 3.25Å; E130-I134 PolarHBondContact O-N 3.38Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 2.88Å; I134-P138 WeakPolarHBondContact O-CG 3.23Å; I134-M362 HydrophobicContact CG1-CE 4.45Å; I134-M362 HydrophobicContact CG2-CE 4.43Å; I134-M362 WeakPolarHBondContact O-CE 3.49Å; I134-M362 VanDerWaalsContact O-SD 3.37Å; I134-V365 HydrophobicContact CD1-CG1 3.8Å; I134-V365 HydrophobicContact CG1-CG1 3.89Å
135I95.8Very high94.7Very high78 Ų7833.7 Ų33.740%0.416%0.164SC..Hα-helixtrans-104.1-43.9173.1-64.3173.5000110.5L131 F132 Y133 F139 M362L131-I135 HydrophobicContact CD1-CD1 3.97Å; L131-I135 HydrophobicContact CG-CD1 4.4Å; L131-I135 WeakPolarHBondContact O-CD1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.21Å; F132-I135 PolarHBondContact O-N 2.81Å; F132-I135 VanDerWaalsContact O-N 3.1Å; Y133-I135 PolarHBondContact O-N 3.3Å; I135-F139 WeakPolarHBondContact O-CB 3.35Å; I135-F139 PolarHBondContact O-N 3.47Å; I135-M362 HydrophobicContact CG1-CE 4Å; I135-M362 HydrophobicContact CG1-SD 4.5Å
136F97.1Very high94.7Very high23 Ų2335.6 Ų35.610%0.10118%0.177CC..Hα-helixtrans-68.1-51.7-172.3176.3-102000113.5F132 F139 W140 L152 I204 M208F132-F136 HydrophobicContact CD1-CB 4.42Å; F132-F136 HydrophobicContact CD2-CB 4.03Å; F132-F136 HydrophobicContact CE1-CB 4.01Å; F132-F136 HydrophobicContact CE1-CD1 4.06Å; F132-F136 AromaticContact CE1-CG 3.95Å; F132-F136 HydrophobicContact CE1-CG 3.95Å; F132-F136 HydrophobicContact CE2-CB 3.58Å; F132-F136 AromaticContact CE2-CD2 3.69Å; F132-F136 HydrophobicContact CE2-CD2 3.69Å; F132-F136 AromaticContact CE2-CG 3.7Å; F132-F136 HydrophobicContact CE2-CG 3.7Å; F132-F136 HydrophobicContact CG-CB 4.42Å; F132-F136 HydrophobicContact CZ-CB 3.54Å; F132-F136 AromaticContact CZ-CD1 3.75Å; F132-F136 HydrophobicContact CZ-CD1 3.75Å; F132-F136 AromaticContact CZ-CD2 3.48Å; F132-F136 HydrophobicContact CZ-CD2 3.48Å; F132-F136 VanDerWaalsContact CZ-CD2 3.48Å; F132-F136 HydrophobicContact CZ-CE1 4.33Å; F132-F136 HydrophobicContact CZ-CE2 4.1Å; F132-F136 AromaticContact CZ-CG 3.28Å; F132-F136 HydrophobicContact CZ-CG 3.28Å; F132-F136 HydrophobicContact CZ-CZ 4.49Å; F132-F136 WeakPolarHBondContact O-CB 3.26Å; F132-F136 PolarHBondContact O-N 3.07Å; F136-F139 PolarHBondContact O-N 3.06Å; F136-W140 HydrophobicContact CE1-CE3 4.41Å; F136-W140 AromaticContact CE2-CE3 3.85Å; F136-W140 HydrophobicContact CE2-CE3 3.85Å; F136-W140 HydrophobicContact CE2-CZ3 4.15Å; F136-W140 AromaticContact CZ-CE3 3.6Å; F136-W140 HydrophobicContact CZ-CE3 3.6Å; F136-W140 AromaticContact CZ-CZ3 3.9Å; F136-W140 HydrophobicContact CZ-CZ3 3.9Å; F136-W140 WeakPolarHBondContact O-CB 3.28Å; F136-W140 PolarHBondContact O-N 2.94Å; F136-L152 HydrophobicContact CE1-CD1 4.31Å; F136-L152 HydrophobicContact CZ-CD1 4.42Å; F136-I204 HydrophobicContact CE1-CG2 3.7Å; F136-I204 HydrophobicContact CZ-CG2 3.82Å; F136-M208 HydrophobicContact CE2-SD 4.26Å; F136-M208 HydrophobicContact CZ-CG 4.35Å; F136-M208 HydrophobicContact CZ-SD 3.71Å
137F97.4Very high94.7Very high6 Ų634 Ų343%0.02617%0.168CC..Hα-helixtrans-65-43.8-179.5-59.4-57.6000111.9Y133 W140 I141 L152 V153 W156 I204Y133-F137 AromaticContact CD1-CE2 3.75Å; Y133-F137 HydrophobicContact CD1-CE2 3.75Å; Y133-F137 HydrophobicContact CD1-CZ 4.13Å; Y133-F137 HydrophobicContact CG-CE2 4.05Å; Y133-F137 WeakPolarHBondContact O-CD2 3.49Å; Y133-F137 PolarHBondContact O-N 3.33Å; F137-W140 PolarHBondContact O-N 3.28Å; F137-I141 WeakPolarHBondContact O-CD1 3.09Å; F137-I141 VanDerWaalsContact O-CG1 3.25Å; F137-I141 WeakPolarHBondContact O-CG1 3.37Å; F137-I141 PolarHBondContact O-N 3.31Å; F137-L152 HydrophobicContact CD1-CB 4.38Å; F137-L152 HydrophobicContact CE1-CB 4.09Å; F137-V153 HydrophobicContact CB-CG2 3.93Å; F137-V153 HydrophobicContact CD1-CG2 3.6Å; F137-V153 HydrophobicContact CD2-CG2 4.09Å; F137-V153 HydrophobicContact CE1-CG2 4.09Å; F137-V153 HydrophobicContact CG-CG2 3.61Å; F137-W156 HydrophobicContact CE1-CB 4.42Å; F137-W156 HydrophobicContact CE2-CB 4.42Å; F137-W156 AromaticContact CE2-CD2 3.7Å; F137-W156 HydrophobicContact CE2-CD2 3.7Å; F137-W156 HydrophobicContact CE2-CE3 4.01Å; F137-W156 AromaticContact CE2-CG 3.89Å; F137-W156 HydrophobicContact CE2-CG 3.89Å; F137-W156 HydrophobicContact CZ-CB 3.68Å; F137-W156 AromaticContact CZ-CD1 3.9Å; F137-W156 AromaticContact CZ-CD2 3.87Å; F137-W156 HydrophobicContact CZ-CD2 3.87Å; F137-W156 HydrophobicContact CZ-CE3 4.39Å; F137-W156 AromaticContact CZ-CG 3.53Å; F137-W156 HydrophobicContact CZ-CG 3.53Å; F137-I204 HydrophobicContact CZ-CD1 4.23Å
138P97Very high94.7Very high1 Ų133.4 Ų33.41%0.00617%0.165CC..Hα-helixtrans-64-41.5173.7-24.737.4000113.4I134 W140 I141 W142 I416I134-P138 WeakPolarHBondContact O-CG 3.23Å; P138-W140 VanDerWaalsContact C-N 3.27Å; P138-W140 PolarHBondContact O-N 3.21Å; P138-I141 PolarHBondContact O-N 3.09Å; P138-W142 HydrophobicContact CB-CD2 3.96Å; P138-W142 HydrophobicContact CB-CE3 3.82Å; P138-W142 HydrophobicContact CB-CH2 3.48Å; P138-W142 VanDerWaalsContact CB-CH2 3.48Å; P138-W142 HydrophobicContact CB-CZ2 3.63Å; P138-W142 HydrophobicContact CB-CZ3 3.57Å; P138-W142 HydrophobicContact CG-CH2 4.43Å; P138-W142 VanDerWaalsContact O-CB 3.28Å; P138-W142 WeakPolarHBondContact O-CB 3.42Å; P138-W142 VanDerWaalsContact O-CD2 3.24Å; P138-W142 PolarHBondContact O-N 3.34Å; P138-I416 HydrophobicContact CB-CG1 4.39Å; P138-I416 HydrophobicContact CB-CG2 3.98Å; P138-I416 HydrophobicContact CG-CD1 3.7Å; P138-I416 HydrophobicContact CG-CG1 3.86Å; P138-I416 HydrophobicContact CG-CG2 3.85Å
139F96.6Very high94.9Very high83 Ų8333.2 Ų33.236%0.36416%0.163SC..Hα-helixtrans-55.8-44.7174.5176-94.3000111.6I135 F136 N143 L144 V358I135-F139 WeakPolarHBondContact O-CB 3.35Å; I135-F139 PolarHBondContact O-N 3.47Å; F136-F139 PolarHBondContact O-N 3.06Å; F139-N143 HydrophobicContact CE2-CB 4.33Å; F139-N143 WeakPolarHBondContact O-CB 3.43Å; F139-N143 PolarHBondContact O-N 3.05Å; F139-N143 PolarHBondContact O-ND2 2.79Å; F139-L144 HydrophobicContact CD1-CD1 4.36Å; F139-L144 HydrophobicContact CE1-CD1 3.95Å; F139-L144 HydrophobicContact CE1-CG 4.13Å; F139-V358 HydrophobicContact CD2-CG2 3.71Å; F139-V358 HydrophobicContact CE2-CG2 4.32Å
140W95.5Very high95.1Very high20 Ų2033.1 Ų33.18%0.07616%0.162CC..Hα-helixtrans-64.4-47.5178.9-161.1-66000112.4F136 F137 P138 L144 D145 V148 L152 M208 T212F136-W140 HydrophobicContact CE1-CE3 4.41Å; F136-W140 AromaticContact CE2-CE3 3.85Å; F136-W140 HydrophobicContact CE2-CE3 3.85Å; F136-W140 HydrophobicContact CE2-CZ3 4.15Å; F136-W140 AromaticContact CZ-CE3 3.6Å; F136-W140 HydrophobicContact CZ-CE3 3.6Å; F136-W140 AromaticContact CZ-CZ3 3.9Å; F136-W140 HydrophobicContact CZ-CZ3 3.9Å; F136-W140 WeakPolarHBondContact O-CB 3.28Å; F136-W140 PolarHBondContact O-N 2.94Å; F137-W140 PolarHBondContact O-N 3.28Å; P138-W140 VanDerWaalsContact C-N 3.27Å; P138-W140 PolarHBondContact O-N 3.21Å; W140-L144 HydrophobicContact CD2-CB 4.47Å; W140-L144 HydrophobicContact CD2-CD1 3.74Å; W140-L144 HydrophobicContact CE3-CD1 3.75Å; W140-L144 HydrophobicContact CG-CB 4.36Å; W140-L144 HydrophobicContact CG-CD1 4.21Å; W140-L144 HydrophobicContact CH2-CD1 4.3Å; W140-L144 HydrophobicContact CZ2-CD1 4.3Å; W140-L144 HydrophobicContact CZ3-CD1 4.04Å; W140-L144 PolarHBondContact O-N 3.47Å; W140-L144 VanDerWaalsContact O-N 3.08Å; W140-D145 VanDerWaalsContact CD1-O 3.22Å; W140-D145 PolarHBondContact NE1-O 2.89Å; W140-D145 PolarHBondContact O-N 2.74Å; W140-V148 HydrophobicContact CZ2-CB 4.39Å; W140-V148 HydrophobicContact CZ2-CG1 3.62Å; W140-L152 HydrophobicContact CD2-CD1 3.72Å; W140-L152 HydrophobicContact CE3-CD1 3.91Å; W140-L152 HydrophobicContact CG-CD1 4.21Å; W140-L152 HydrophobicContact CH2-CD1 4.38Å; W140-L152 HydrophobicContact CZ2-CD1 4.2Å; W140-L152 HydrophobicContact CZ3-CD1 4.24Å; W140-M208 HydrophobicContact CH2-CB 4.26Å; W140-M208 HydrophobicContact CH2-CE 3.93Å; W140-M208 HydrophobicContact CH2-CG 3.78Å; W140-M208 HydrophobicContact CH2-SD 4.37Å; W140-M208 HydrophobicContact CZ3-CE 3.69Å; W140-M208 HydrophobicContact CZ3-CG 3.76Å; W140-M208 HydrophobicContact CZ3-SD 3.88Å; W140-T212 HydrophobicContact CH2-CG2 4.31Å; W140-T212 HydrophobicContact CZ2-CG2 3.76Å
141I95.4Very high95.3Very high14 Ų1430.1 Ų30.17%0.07215%0.147CC..Hα-helixtrans-66.2-38.4-178.7-67.5163.7000111F137 P138 I416 T417F137-I141 WeakPolarHBondContact O-CD1 3.09Å; F137-I141 VanDerWaalsContact O-CG1 3.25Å; F137-I141 WeakPolarHBondContact O-CG1 3.37Å; F137-I141 PolarHBondContact O-N 3.31Å; P138-I141 PolarHBondContact O-N 3.09Å; I141-I416 HydrophobicContact CD1-CG2 3.94Å; I141-T417 HydrophobicContact CD1-CG2 3.99Å; I141-T417 HydrophobicContact CG2-CG2 4.47Å
142W95.2Very high95.6Very high17 Ų1725.1 Ų25.16%0.06412%0.122CC..Hα-helixtrans-87.9-21.1-174.6-57.8-25.1000114.8P138 R357 G361 M362 V365 I416 I420 F424P138-W142 HydrophobicContact CB-CD2 3.96Å; P138-W142 HydrophobicContact CB-CE3 3.82Å; P138-W142 HydrophobicContact CB-CH2 3.48Å; P138-W142 VanDerWaalsContact CB-CH2 3.48Å; P138-W142 HydrophobicContact CB-CZ2 3.63Å; P138-W142 HydrophobicContact CB-CZ3 3.57Å; P138-W142 HydrophobicContact CG-CH2 4.43Å; P138-W142 VanDerWaalsContact O-CB 3.28Å; P138-W142 WeakPolarHBondContact O-CB 3.42Å; P138-W142 VanDerWaalsContact O-CD2 3.24Å; P138-W142 PolarHBondContact O-N 3.34Å; W142-R357 HydrophobicContact CB-CB 4.47Å; W142-R357 WeakPolarHBondContact O-CD 3.28Å; W142-R357 PolarHBondContact O-NH1 2.87Å; W142-G361 VanDerWaalsContact CH2-CA 3.44Å; W142-M362 HydrophobicContact CH2-SD 4.39Å; W142-M362 HydrophobicContact CZ3-CG 4.46Å; W142-M362 HydrophobicContact CZ3-SD 4.27Å; W142-V365 HydrophobicContact CH2-CG2 3.99Å; W142-V365 HydrophobicContact CZ2-CG2 4.35Å; W142-I416 HydrophobicContact CZ2-CB 4.43Å; W142-I416 HydrophobicContact CZ2-CG1 4.19Å; W142-I416 HydrophobicContact CZ2-CG2 4.32Å; W142-I416 PolarHBondContact NE1-O 3.37Å; W142-I420 HydrophobicContact CH2-CD1 4.26Å; W142-I420 HydrophobicContact CH2-CG2 4.22Å; W142-I420 HydrophobicContact CZ2-CB 4.09Å; W142-I420 HydrophobicContact CZ2-CD1 3.83Å; W142-I420 HydrophobicContact CZ2-CG2 3.57Å; W142-F424 HydrophobicContact CB-CE2 3.99Å; W142-F424 AromaticContact CD1-CE2 3.9Å; W142-F424 AromaticContact CD2-CE2 3.76Å; W142-F424 HydrophobicContact CD2-CE2 3.76Å; W142-F424 HydrophobicContact CD2-CZ 4.13Å; W142-F424 HydrophobicContact CE3-CE2 4.29Å; W142-F424 HydrophobicContact CE3-CZ 4.27Å; W142-F424 AromaticContact CG-CE2 3.62Å; W142-F424 HydrophobicContact CG-CE2 3.62Å; W142-F424 HydrophobicContact CG-CZ 4.44Å
143N93.8Very high95.7Very high30 Ų3023.8 Ų23.816%0.1612%0.116CC..Hα-helixtrans-131.8-14.3-169.7-55.6-64.2000115.9F139 A354 R357F139-N143 HydrophobicContact CE2-CB 4.33Å; F139-N143 WeakPolarHBondContact O-CB 3.43Å; F139-N143 PolarHBondContact O-N 3.05Å; F139-N143 PolarHBondContact O-ND2 2.79Å; N143-A354 HydrophobicContact CB-CB 4.44Å; N143-A354 VanDerWaalsContact OD1-CA 3.26Å; N143-A354 WeakPolarHBondContact OD1-CA 3.39Å; N143-R357 PolarHBondContact OD1-NH1 2.94Å
144L92.2Very high95.8Very high81 Ų8124 Ų2442%0.42412%0.118SC..THydrogen-bonded Turntrans-115.5-75.3-178.5-60.9179.5000111.2F139 W140F139-L144 HydrophobicContact CD1-CD1 4.36Å; F139-L144 HydrophobicContact CE1-CD1 3.95Å; F139-L144 HydrophobicContact CE1-CG 4.13Å; W140-L144 HydrophobicContact CD2-CB 4.47Å; W140-L144 HydrophobicContact CD2-CD1 3.74Å; W140-L144 HydrophobicContact CE3-CD1 3.75Å; W140-L144 HydrophobicContact CG-CB 4.36Å; W140-L144 HydrophobicContact CG-CD1 4.21Å; W140-L144 HydrophobicContact CH2-CD1 4.3Å; W140-L144 HydrophobicContact CZ2-CD1 4.3Å; W140-L144 HydrophobicContact CZ3-CD1 4.04Å; W140-L144 PolarHBondContact O-N 3.47Å; W140-L144 VanDerWaalsContact O-N 3.08Å
145D92.8Very high96Very high5 Ų523.5 Ų23.53%0.02712%0.115CC..  trans-162.499.9-167.3-166.1-13.5000111.3W140 F147 V148 G149 R215 W216W140-D145 VanDerWaalsContact CD1-O 3.22Å; W140-D145 PolarHBondContact NE1-O 2.89Å; W140-D145 PolarHBondContact O-N 2.74Å; D145-F147 PolarHBondContact O-N 3.11Å; D145-F147 WeakPolarHBondContact OD1-CB 3.37Å; D145-F147 PolarHBondContact OD1-N 3.39Å; D145-V148 HydrophobicContact CB-CB 4.23Å; D145-V148 HydrophobicContact CB-CG2 4.28Å; D145-V148 PolarHBondContact O-N 2.83Å; D145-V148 VanDerWaalsContact O-N 3.16Å; D145-V148 WeakPolarHBondContact OD2-CG2 3.45Å; D145-G149 PolarHBondContact O-N 3.22Å; D145-R215 IonicContact OD1-CZ 3.44Å; D145-R215 IonicContact OD1-NE 3.09Å; D145-R215 IonicContact OD1-NH2 2.77Å; D145-R215 PolarHBondContact OD1-NH2 2.93Å; D145-R215 IonicContact OD2-CZ 3.68Å; D145-R215 IonicContact OD2-NE 3.87Å; D145-R215 PolarHBondContact OD2-NE 3.03Å; D145-R215 IonicContact OD2-NH2 2.77Å; D145-R215 PolarHBondContact OD2-NH2 3.36Å; D145-W216 HydrophobicContact CB-CZ2 4.15Å; D145-W216 PolarHBondContact OD2-NE1 3.2Å
146P93.7Very high96.1Very high43 Ų4320.5 Ų20.528%0.27910%0.099SC..Hα-helixtrans-52.7-40.6178.8-26.432.7000113.4V148 G149 R150P146-V148 VanDerWaalsContact C-N 3.3Å; P146-V148 PolarHBondContact O-N 2.67Å; P146-G149 PolarHBondContact O-N 3.37Å; P146-R150 WeakPolarHBondContact O-CG 3.2Å; P146-R150 PolarHBondContact O-N 3.34Å
147F94.3Very high96.2Very high40 Ų4020 Ų2018%0.17510%0.097CC..Hα-helixtrans-55.7-44.2179.5176.7-85.8000112.3D145 R151 R215 D333D145-F147 PolarHBondContact O-N 3.11Å; D145-F147 WeakPolarHBondContact OD1-CB 3.37Å; D145-F147 PolarHBondContact OD1-N 3.39Å; F147-R151 VanDerWaalsContact CD2-NH1 3.29Å; F147-R151 VanDerWaalsContact CE2-NH2 3.3Å; F147-R151 WeakPolarHBondContact O-CD 3.44Å; F147-R151 VanDerWaalsContact O-CG 3.26Å; F147-R151 WeakPolarHBondContact O-CG 3.33Å; F147-R151 PolarHBondContact O-NH1 2.57Å; F147-R215 VanDerWaalsContact CB-NH2 3.3Å; F147-R215 VanDerWaalsContact CD1-CZ 3.49Å; F147-D333 HydrophobicContact CD2-CB 4.15Å
148V95.7Very high96.2Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-78.6-38.6178.3176.10000110.5W140 D145 P146 R150 R151 L152 L211 T212W140-V148 HydrophobicContact CZ2-CB 4.39Å; W140-V148 HydrophobicContact CZ2-CG1 3.62Å; D145-V148 HydrophobicContact CB-CB 4.23Å; D145-V148 HydrophobicContact CB-CG2 4.28Å; D145-V148 PolarHBondContact O-N 2.83Å; D145-V148 VanDerWaalsContact O-N 3.16Å; D145-V148 WeakPolarHBondContact OD2-CG2 3.45Å; P146-V148 VanDerWaalsContact C-N 3.3Å; P146-V148 PolarHBondContact O-N 2.67Å; V148-R150 PolarHBondContact O-N 2.93Å; V148-R151 PolarHBondContact O-N 3.14Å; V148-R151 VanDerWaalsContact O-N 3.17Å; V148-L152 HydrophobicContact CG1-CD1 3.88Å; V148-L152 HydrophobicContact CG1-CG 4.03Å; V148-L152 WeakPolarHBondContact O-CG 3.43Å; V148-L152 PolarHBondContact O-N 2.76Å; V148-L211 HydrophobicContact CB-CB 4.49Å; V148-L211 HydrophobicContact CG1-CB 3.76Å; V148-L211 HydrophobicContact CG1-CD1 4.12Å; V148-L211 HydrophobicContact CG2-CB 4.16Å; V148-T212 HydrophobicContact CG1-CG2 4.07Å; V148-T212 HydrophobicContact CG2-CG2 4.18Å
149G96.5Very high96.2Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-57.1-46.4178.300000113.3D145 P146 R151 L152 V153D145-G149 PolarHBondContact O-N 3.22Å; P146-G149 PolarHBondContact O-N 3.37Å; G149-R151 PolarHBondContact O-N 3.3Å; G149-L152 PolarHBondContact O-N 3.17Å; G149-V153 WeakPolarHBondContact O-CG2 3.37Å; G149-V153 PolarHBondContact O-N 3.25Å
150R96.5Very high96.2Very high11 Ų1118.2 Ų18.24%0.0429%0.092CC..Hα-helixtrans-61.2-42.8175.2-63.5-176.2-45.2-100-0.2112.1P146 V148 V153 I154 D271 S322 D333P146-R150 WeakPolarHBondContact O-CG 3.2Å; P146-R150 PolarHBondContact O-N 3.34Å; V148-R150 PolarHBondContact O-N 2.93Å; R150-V153 PolarHBondContact O-N 3.48Å; R150-I154 WeakPolarHBondContact O-CG1 3.43Å; R150-I154 PolarHBondContact O-N 2.87Å; R150-D271 WeakPolarHBondContact CB-OD1 3.29Å; R150-D271 IonicContact CZ-OD1 3.57Å; R150-D271 IonicContact CZ-OD2 3.66Å; R150-D271 IonicContact NE-OD1 3.07Å; R150-D271 PolarHBondContact NE-OD1 2.9Å; R150-D271 IonicContact NE-OD2 3.29Å; R150-D271 IonicContact NH2-OD1 3.56Å; R150-D271 PolarHBondContact NH2-OD1 3.29Å; R150-D271 IonicContact NH2-OD2 3.44Å; R150-D271 PolarHBondContact NH2-OD2 3.38Å; R150-S322 VanDerWaalsContact CD-CB 3.47Å; R150-S322 WeakPolarHBondContact CD-OG 2.98Å; R150-D333 IonicContact CZ-OD1 2.72Å; R150-D333 IonicContact CZ-OD2 3.27Å; R150-D333 IonicContact NH1-OD1 3.65Å; R150-D333 PolarHBondContact NH1-OD1 3.17Å; R150-D333 IonicContact NH1-OD2 3.21Å; R150-D333 IonicContact NH2-OD1 3.43Å; R150-D333 PolarHBondContact NH2-OD1 2.98Å; R150-D333 IonicContact NH2-OD2 3.59Å; R150-D333 PolarHBondContact NH2-OD2 2.85Å
151R97.7Very high96.2Very high8 Ų818 Ų183%0.039%0.091CC..Hα-helixtrans-68.3-39.3-179.7-70.3176173.551.113.3113F147 V148 G149 V153 I154 I155 L211 V267 D268 D271F147-R151 VanDerWaalsContact CD2-NH1 3.29Å; F147-R151 VanDerWaalsContact CE2-NH2 3.3Å; F147-R151 WeakPolarHBondContact O-CD 3.44Å; F147-R151 VanDerWaalsContact O-CG 3.26Å; F147-R151 WeakPolarHBondContact O-CG 3.33Å; F147-R151 PolarHBondContact O-NH1 2.57Å; V148-R151 PolarHBondContact O-N 3.14Å; V148-R151 VanDerWaalsContact O-N 3.17Å; G149-R151 PolarHBondContact O-N 3.3Å; R151-V153 VanDerWaalsContact C-N 3.28Å; R151-V153 PolarHBondContact O-N 2.81Å; R151-I154 PolarHBondContact O-N 3.08Å; R151-I155 WeakPolarHBondContact O-CG1 3.49Å; R151-I155 PolarHBondContact O-N 2.92Å; R151-L211 HydrophobicContact CB-CD1 3.58Å; R151-L211 HydrophobicContact CB-CD2 4.03Å; R151-L211 HydrophobicContact CB-CG 4.46Å; R151-L211 HydrophobicContact CG-CD2 4.46Å; R151-V267 HydrophobicContact CB-CG1 3.59Å; R151-V267 HydrophobicContact CG-CG1 3.53Å; R151-D268 IonicContact CZ-OD1 2.75Å; R151-D268 IonicContact NE-OD1 2.83Å; R151-D268 PolarHBondContact NE-OD1 3.36Å; R151-D268 IonicContact NH2-OD1 3.66Å; R151-D268 PolarHBondContact NH2-OD1 2.87Å; R151-D271 HydrophobicContact CG-CB 4.33Å; R151-D271 IonicContact CZ-OD2 2.82Å; R151-D271 VanDerWaalsContact CZ-OD2 3.27Å; R151-D271 IonicContact NH1-OD1 2.73Å; R151-D271 IonicContact NH1-OD2 2.77Å; R151-D271 PolarHBondContact NH1-OD2 2.99Å; R151-D271 IonicContact NH2-OD2 3.45Å; R151-D271 PolarHBondContact NH2-OD2 3.42Å; R151-D271 VanDerWaalsContact NH2-OD2 3.07Å
152L97.9Very high96.3Very high2 Ų219.2 Ų19.21%0.0110%0.098CC..Hα-helixtrans-59.6-39.6171.7-73.4173.1000111.5F136 F137 W140 V148 G149 W156 A207 M208 L211F136-L152 HydrophobicContact CE1-CD1 4.31Å; F136-L152 HydrophobicContact CZ-CD1 4.42Å; F137-L152 HydrophobicContact CD1-CB 4.38Å; F137-L152 HydrophobicContact CE1-CB 4.09Å; W140-L152 HydrophobicContact CD2-CD1 3.72Å; W140-L152 HydrophobicContact CE3-CD1 3.91Å; W140-L152 HydrophobicContact CG-CD1 4.21Å; W140-L152 HydrophobicContact CH2-CD1 4.38Å; W140-L152 HydrophobicContact CZ2-CD1 4.2Å; W140-L152 HydrophobicContact CZ3-CD1 4.24Å; V148-L152 HydrophobicContact CG1-CD1 3.88Å; V148-L152 HydrophobicContact CG1-CG 4.03Å; V148-L152 WeakPolarHBondContact O-CG 3.43Å; V148-L152 PolarHBondContact O-N 2.76Å; G149-L152 PolarHBondContact O-N 3.17Å; L152-W156 VanDerWaalsContact O-CB 3.27Å; L152-W156 WeakPolarHBondContact O-CB 3.46Å; L152-W156 PolarHBondContact O-N 3.47Å; L152-A207 HydrophobicContact CD2-CB 3.74Å; L152-M208 HydrophobicContact CD1-CG 3.98Å; L152-M208 HydrophobicContact CD2-CB 4.47Å; L152-M208 HydrophobicContact CD2-CG 3.83Å; L152-L211 HydrophobicContact CD2-CD1 4.03Å; L152-L211 HydrophobicContact CG-CD1 4.1Å
153V98.1Very high96.3Very high3 Ų318.4 Ų18.42%0.01810%0.095CC..Hα-helixtrans-67.7-44.1175.4174.70000111.4F137 G149 R150 R151 I155 W156 V157 I318F137-V153 HydrophobicContact CB-CG2 3.93Å; F137-V153 HydrophobicContact CD1-CG2 3.6Å; F137-V153 HydrophobicContact CD2-CG2 4.09Å; F137-V153 HydrophobicContact CE1-CG2 4.09Å; F137-V153 HydrophobicContact CG-CG2 3.61Å; G149-V153 WeakPolarHBondContact O-CG2 3.37Å; G149-V153 PolarHBondContact O-N 3.25Å; R150-V153 PolarHBondContact O-N 3.48Å; R151-V153 VanDerWaalsContact C-N 3.28Å; R151-V153 PolarHBondContact O-N 2.81Å; V153-I155 VanDerWaalsContact C-N 3.31Å; V153-I155 PolarHBondContact O-N 2.98Å; V153-W156 HydrophobicContact CG1-CE3 4.43Å; V153-W156 PolarHBondContact O-N 2.84Å; V153-V157 HydrophobicContact CG1-CG2 4.14Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.36Å; V153-V157 PolarHBondContact O-N 3.44Å; V153-I318 HydrophobicContact CB-CD1 4.43Å; V153-I318 HydrophobicContact CB-CG2 4.18Å; V153-I318 HydrophobicContact CG1-CB 4.19Å; V153-I318 HydrophobicContact CG1-CD1 3.85Å; V153-I318 HydrophobicContact CG1-CG2 3.93Å; V153-I318 HydrophobicContact CG2-CD1 3.82Å; V153-I318 HydrophobicContact CG2-CG2 4.26Å
154I98.2Very high96.3Very high21 Ų2117.1 Ų17.111%0.1089%0.088CC..Hα-helixtrans-55.9-47.4175.7-69.3161.5000110.6R150 R151 L158 V267 I270 D271R150-I154 WeakPolarHBondContact O-CG1 3.43Å; R150-I154 PolarHBondContact O-N 2.87Å; R151-I154 PolarHBondContact O-N 3.08Å; I154-L158 HydrophobicContact CG2-CD1 4.07Å; I154-L158 WeakPolarHBondContact O-CG 3.4Å; I154-L158 PolarHBondContact O-N 3.4Å; I154-L158 VanDerWaalsContact O-N 3.11Å; I154-V267 HydrophobicContact CG2-CG2 4.4Å; I154-I270 HydrophobicContact CD1-CB 4.47Å; I154-I270 HydrophobicContact CD1-CG2 3.92Å; I154-I270 HydrophobicContact CG1-CG2 4.21Å; I154-I270 HydrophobicContact CG2-CB 4.38Å; I154-I270 HydrophobicContact CG2-CD1 4.27Å; I154-I270 HydrophobicContact CG2-CG2 3.93Å; I154-D271 HydrophobicContact CD1-CB 3.89Å
155I98.3Very high96.3Very high8 Ų813.7 Ų13.74%0.0417%0.07CC..Hα-helixtrans-64.7-43.5177.9-66.8166.5000111.1R151 V153 L158 V159 A203 A207 L211 L260 Y264 V267R151-I155 WeakPolarHBondContact O-CG1 3.49Å; R151-I155 PolarHBondContact O-N 2.92Å; V153-I155 VanDerWaalsContact C-N 3.31Å; V153-I155 PolarHBondContact O-N 2.98Å; I155-L158 PolarHBondContact O-N 2.95Å; I155-V159 HydrophobicContact CG2-CG2 4.19Å; I155-V159 WeakPolarHBondContact O-CB 3.41Å; I155-V159 VanDerWaalsContact O-CG2 3.26Å; I155-V159 WeakPolarHBondContact O-CG2 3.47Å; I155-V159 PolarHBondContact O-N 3.36Å; I155-A203 HydrophobicContact CG2-CB 4.5Å; I155-A207 HydrophobicContact CD1-CB 3.61Å; I155-A207 HydrophobicContact CG2-CB 4.11Å; I155-L211 HydrophobicContact CD1-CD1 4.12Å; I155-L260 HydrophobicContact CG2-CD2 3.7Å; I155-Y264 HydrophobicContact CD1-CD2 4.08Å; I155-V267 HydrophobicContact CD1-CG1 4.46Å; I155-V267 HydrophobicContact CD1-CG2 3.98Å; I155-V267 HydrophobicContact CG1-CG2 3.6Å
156W98.4Very high96.3Very high15 Ų1514.6 Ų14.66%0.0578%0.076CC..Hα-helixtrans-62.4-44.6177.9170.880.8000112.6Y133 F137 L152 V153 V159 M160 I311Y133-W156 HydrophobicContact CD1-CZ2 4.47Å; Y133-W156 AromaticContact CD1-NE1 3.45Å; Y133-W156 AromaticContact CD2-CE2 4Å; Y133-W156 AromaticContact CD2-CZ2 3.7Å; Y133-W156 HydrophobicContact CD2-CZ2 3.7Å; Y133-W156 AromaticContact CD2-NE1 3.8Å; Y133-W156 AromaticContact CE1-CD1 3.7Å; Y133-W156 AromaticContact CE1-NE1 3.2Å; Y133-W156 HydrophobicContact CE2-CZ2 4.09Å; Y133-W156 AromaticContact CE2-NE1 3.57Å; Y133-W156 AromaticContact CG-CE2 3.96Å; Y133-W156 AromaticContact CG-CZ2 3.92Å; Y133-W156 HydrophobicContact CG-CZ2 3.92Å; Y133-W156 AromaticContact CG-NE1 3.76Å; Y133-W156 AromaticContact CZ-NE1 3.27Å; Y133-W156 VanDerWaalsContact CZ-NE1 3.27Å; F137-W156 HydrophobicContact CE1-CB 4.42Å; F137-W156 HydrophobicContact CE2-CB 4.42Å; F137-W156 AromaticContact CE2-CD2 3.7Å; F137-W156 HydrophobicContact CE2-CD2 3.7Å; F137-W156 HydrophobicContact CE2-CE3 4.01Å; F137-W156 AromaticContact CE2-CG 3.89Å; F137-W156 HydrophobicContact CE2-CG 3.89Å; F137-W156 HydrophobicContact CZ-CB 3.68Å; F137-W156 AromaticContact CZ-CD1 3.9Å; F137-W156 AromaticContact CZ-CD2 3.87Å; F137-W156 HydrophobicContact CZ-CD2 3.87Å; F137-W156 HydrophobicContact CZ-CE3 4.39Å; F137-W156 AromaticContact CZ-CG 3.53Å; F137-W156 HydrophobicContact CZ-CG 3.53Å; L152-W156 VanDerWaalsContact O-CB 3.27Å; L152-W156 WeakPolarHBondContact O-CB 3.46Å; L152-W156 PolarHBondContact O-N 3.47Å; V153-W156 HydrophobicContact CG1-CE3 4.43Å; V153-W156 PolarHBondContact O-N 2.84Å; W156-V159 PolarHBondContact O-N 2.92Å; W156-M160 HydrophobicContact CD2-CG 4.48Å; W156-M160 HydrophobicContact CG-CG 4.3Å; W156-M160 VanDerWaalsContact O-CB 3.27Å; W156-M160 WeakPolarHBondContact O-CB 3.2Å; W156-M160 VanDerWaalsContact O-CG 3.25Å; W156-M160 WeakPolarHBondContact O-CG 3.34Å; W156-M160 PolarHBondContact O-N 3.02Å; W156-I311 HydrophobicContact CH2-CB 4.2Å; W156-I311 HydrophobicContact CH2-CG1 3.89Å; W156-I311 HydrophobicContact CH2-CG2 4.2Å; W156-I311 HydrophobicContact CZ2-CG1 3.98Å; W156-I311 HydrophobicContact CZ3-CG2 4.16Å
157V98.1Very high96.3Very high11 Ų1112.6 Ų12.67%0.0676%0.063CC..Hα-helixtrans-59-49.5175.5172.80000110.3V153 Y161 I311 L312V153-V157 HydrophobicContact CG1-CG2 4.14Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.36Å; V153-V157 PolarHBondContact O-N 3.44Å; V157-Y161 WeakPolarHBondContact O-CB 3.29Å; V157-Y161 PolarHBondContact O-N 3.43Å; V157-I311 HydrophobicContact CB-CG2 4.45Å; V157-I311 HydrophobicContact CG1-CG2 4.34Å; V157-I311 HydrophobicContact CG2-CG2 4.39Å; V157-L312 HydrophobicContact CG1-CD2 4.27Å
158L97.5Very high96.1Very high40 Ų4010.7 Ų10.721%0.2096%0.055CC..Hα-helixtrans-61-49.5179.6-71.8169000112I154 I155 L162 F263I154-L158 HydrophobicContact CG2-CD1 4.07Å; I154-L158 WeakPolarHBondContact O-CG 3.4Å; I154-L158 PolarHBondContact O-N 3.4Å; I154-L158 VanDerWaalsContact O-N 3.11Å; I155-L158 PolarHBondContact O-N 2.95Å; L158-L162 VanDerWaalsContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CB 3.12Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.98Å; L158-F263 HydrophobicContact CD1-CB 4.07Å; L158-F263 HydrophobicContact CD1-CD1 4.14Å; L158-F263 HydrophobicContact CD1-CG 4.28Å; L158-F263 HydrophobicContact CD2-CD1 4.42Å
159V98.1Very high95.8Very high1 Ų116 Ų161%0.0068%0.082CC..Hα-helixtrans-63-45.6-179.4168.60000111.4I155 W156 G163 M199 A203 I259I155-V159 HydrophobicContact CG2-CG2 4.19Å; I155-V159 WeakPolarHBondContact O-CB 3.41Å; I155-V159 VanDerWaalsContact O-CG2 3.26Å; I155-V159 WeakPolarHBondContact O-CG2 3.47Å; I155-V159 PolarHBondContact O-N 3.36Å; W156-V159 PolarHBondContact O-N 2.92Å; V159-G163 PolarHBondContact O-N 3.3Å; V159-M199 HydrophobicContact CG1-CB 3.81Å; V159-M199 HydrophobicContact CG1-CE 4.04Å; V159-M199 VanDerWaalsContact O-CE 3.26Å; V159-M199 WeakPolarHBondContact O-CE 3.41Å; V159-A203 HydrophobicContact CB-CB 4.33Å; V159-A203 HydrophobicContact CG1-CB 3.97Å; V159-A203 HydrophobicContact CG2-CB 3.87Å; V159-I259 HydrophobicContact CG2-CB 4.42Å; V159-I259 HydrophobicContact CG2-CG2 3.71Å
160M96.8Very high95.6Very high13 Ų1319.2 Ų19.26%0.06410%0.098CC..Hα-helixtrans-72.2-43-178.5-68.2-66.5-69.500112.1W156 G163 Q164 I311W156-M160 HydrophobicContact CD2-CG 4.48Å; W156-M160 HydrophobicContact CG-CG 4.3Å; W156-M160 VanDerWaalsContact O-CB 3.27Å; W156-M160 WeakPolarHBondContact O-CB 3.2Å; W156-M160 VanDerWaalsContact O-CG 3.25Å; W156-M160 WeakPolarHBondContact O-CG 3.34Å; W156-M160 PolarHBondContact O-N 3.02Å; M160-G163 PolarHBondContact O-N 3.03Å; M160-Q164 WeakPolarHBondContact O-CG 3.49Å; M160-Q164 PolarHBondContact O-N 2.84Å; M160-I311 HydrophobicContact CB-CD1 3.72Å; M160-I311 HydrophobicContact CB-CG1 4.29Å; M160-I311 HydrophobicContact CB-CG2 4.12Å; M160-I311 HydrophobicContact CE-CD1 4.09Å
161Y96.1Very high95.3Very high16 Ų1624.5 Ų24.56%0.06312%0.118CC..Hα-helixtrans-60.5-50176.9174.2-101.3000111.9V157 G163 Q164 C165 L291 T308 L312V157-Y161 WeakPolarHBondContact O-CB 3.29Å; V157-Y161 PolarHBondContact O-N 3.43Å; Y161-G163 VanDerWaalsContact C-N 3.28Å; Y161-G163 PolarHBondContact O-N 3.17Å; Y161-Q164 PolarHBondContact O-N 3.22Å; Y161-C165 VanDerWaalsContact CE2-SG 3.6Å; Y161-C165 WeakPolarHBondContact O-CB 3.33Å; Y161-C165 PolarHBondContact O-N 3.35Å; Y161-C165 PolarHBondContact O-SG 2.92Å; Y161-C165 VanDerWaalsContact O-SG 3.34Å; Y161-L291 HydrophobicContact CE1-CB 4.38Å; Y161-L291 HydrophobicContact CE1-CD2 3.82Å; Y161-L291 HydrophobicContact CE1-CG 4.49Å; Y161-L291 HydrophobicContact CE2-CB 3.83Å; Y161-L291 VanDerWaalsContact CE2-O 3.31Å; Y161-L291 WeakPolarHBondContact CE2-O 3.39Å; Y161-L291 WeakPolarHBondContact OH-CA 3.35Å; Y161-L291 WeakPolarHBondContact OH-CD2 3.04Å; Y161-L291 PolarHBondContact OH-O 2.73Å; Y161-T308 HydrophobicContact CD2-CG2 3.95Å; Y161-T308 HydrophobicContact CE2-CG2 4.28Å; Y161-L312 HydrophobicContact CD2-CD1 3.86Å; Y161-L312 HydrophobicContact CD2-CD2 3.84Å; Y161-L312 HydrophobicContact CD2-CG 4.09Å; Y161-L312 HydrophobicContact CE2-CD1 3.94Å; Y161-L312 HydrophobicContact CE2-CD2 4.4Å; Y161-L312 HydrophobicContact CG-CD2 4.28Å
162L96.1Very high95Very high39 Ų3927.9 Ų27.920%0.20413%0.131CC..Hα-helixtrans-64-35.6176.9-68174.4000111.4L158 T166 I259 F263L158-L162 VanDerWaalsContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CB 3.12Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.98Å; L162-T166 WeakPolarHBondContact O-CB 3.26Å; L162-T166 PolarHBondContact O-N 3.4Å; L162-T166 PolarHBondContact O-OG1 2.91Å; L162-I259 HydrophobicContact CB-CD1 4Å; L162-I259 HydrophobicContact CD1-CD1 4.03Å; L162-I259 HydrophobicContact CD1-CG1 3.99Å; L162-I259 HydrophobicContact CD1-CG2 4.17Å; L162-F263 HydrophobicContact CD1-CD2 4.46Å; L162-F263 HydrophobicContact CD1-CE2 3.89Å; L162-F263 HydrophobicContact CD1-CZ 4.37Å
163G95.6Very high94.6Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-62-48.2174.200000113.6V159 M160 Y161 T166 K167V159-G163 PolarHBondContact O-N 3.3Å; M160-G163 PolarHBondContact O-N 3.03Å; Y161-G163 VanDerWaalsContact C-N 3.28Å; Y161-G163 PolarHBondContact O-N 3.17Å; G163-T166 PolarHBondContact O-N 2.99Å; G163-K167 PolarHBondContact O-N 3.2Å
164Q92.8Very high94.3Very high3 Ų333.2 Ų33.21%0.01416%0.162CC..Hα-helixtrans-66.9-46.9177.6-61.1-72.258.400111.1M160 Y161 T166 K167 D168 T196 T308M160-Q164 WeakPolarHBondContact O-CG 3.49Å; M160-Q164 PolarHBondContact O-N 2.84Å; Y161-Q164 PolarHBondContact O-N 3.22Å; Q164-T166 PolarHBondContact O-N 3Å; Q164-K167 WeakPolarHBondContact O-CB 3.32Å; Q164-K167 PolarHBondContact O-N 2.96Å; Q164-K167 VanDerWaalsContact O-N 3.14Å; Q164-D168 VanDerWaalsContact O-CG 3.3Å; Q164-D168 PolarHBondContact O-N 2.84Å; Q164-D168 VanDerWaalsContact O-N 3.09Å; Q164-T196 HydrophobicContact CG-CG2 4.4Å; Q164-T308 WeakPolarHBondContact CB-OG1 3.35Å; Q164-T308 WeakPolarHBondContact CG-OG1 3.4Å
165C92.9Very high94Very high8 Ų832.6 Ų32.65%0.05416%0.159CC..Hα-helixtrans-57.3-38174.5-69.60000112.3Y161 D168 I169 S295 L298Y161-C165 VanDerWaalsContact CE2-SG 3.6Å; Y161-C165 WeakPolarHBondContact O-CB 3.33Å; Y161-C165 PolarHBondContact O-N 3.35Å; Y161-C165 PolarHBondContact O-SG 2.92Å; Y161-C165 VanDerWaalsContact O-SG 3.34Å; C165-D168 PolarHBondContact O-N 2.78Å; C165-I169 WeakPolarHBondContact O-CD1 3.34Å; C165-I169 VanDerWaalsContact O-CG1 3.24Å; C165-I169 WeakPolarHBondContact O-CG1 3.5Å; C165-I169 PolarHBondContact O-N 3.32Å; C165-I169 VanDerWaalsContact O-N 3.08Å; C165-S295 PolarHBondContact SG-OG 3.18Å; C165-L298 HydrophobicContact CB-CD1 3.88Å
166T93.8Very high93.6Very high25 Ų2534.7 Ų34.715%0.15318%0.178CC..Hα-helixtrans-72.6-34.9179.4-57.90000112.2L162 G163 Q164 D168 I169 I170 P194 Y255L162-T166 WeakPolarHBondContact O-CB 3.26Å; L162-T166 PolarHBondContact O-N 3.4Å; L162-T166 PolarHBondContact O-OG1 2.91Å; G163-T166 PolarHBondContact O-N 2.99Å; Q164-T166 PolarHBondContact O-N 3Å; T166-D168 VanDerWaalsContact C-N 3.34Å; T166-I169 PolarHBondContact O-N 3.43Å; T166-I170 HydrophobicContact CG2-CD1 3.54Å; T166-I170 HydrophobicContact CG2-CG1 4.07Å; T166-I170 WeakPolarHBondContact O-CB 3.44Å; T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.38Å; T166-I170 PolarHBondContact O-N 3.42Å; T166-P194 HydrophobicContact CG2-CG 4.19Å; T166-Y255 HydrophobicContact CG2-CE1 4.13Å; T166-Y255 WeakPolarHBondContact OG1-CE1 3.33Å; T166-Y255 PolarHBondContact OG1-OH 2.91Å; T166-Y255 VanDerWaalsContact OG1-OH 3.09Å
167K92.9Very high93Very high0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-55.5-49.9168.1-87.6-178.3-1721610111G163 Q164 I169 I170 R171 E190 Y191 T196G163-K167 PolarHBondContact O-N 3.2Å; Q164-K167 WeakPolarHBondContact O-CB 3.32Å; Q164-K167 PolarHBondContact O-N 2.96Å; Q164-K167 VanDerWaalsContact O-N 3.14Å; K167-I169 VanDerWaalsContact C-N 3.26Å; K167-I169 PolarHBondContact O-N 2.95Å; K167-I170 PolarHBondContact O-N 3.42Å; K167-R171 WeakPolarHBondContact O-CA 3.44Å; K167-R171 PolarHBondContact O-N 3.46Å; K167-E190 IonicContact NZ-OE2 2.74Å; K167-E190 PolarHBondContact NZ-OE2 3.41Å; K167-Y191 WeakPolarHBondContact CD-O 3.1Å; K167-Y191 WeakPolarHBondContact CE-O 3.19Å; K167-Y191 WeakPolarHBondContact O-CD2 3.42Å; K167-T196 PolarHBondContact NZ-OG1 3.35Å
168D89.2Confident92.4Very high1 Ų140.8 Ų40.81%0.00522%0.221CC..Hα-helixtrans-70.6-23-174.4-57.6-16.8000112.6Q164 C165 T166 R171 L298 D299 S304Q164-D168 VanDerWaalsContact O-CG 3.3Å; Q164-D168 PolarHBondContact O-N 2.84Å; Q164-D168 VanDerWaalsContact O-N 3.09Å; C165-D168 PolarHBondContact O-N 2.78Å; T166-D168 VanDerWaalsContact C-N 3.34Å; D168-R171 WeakPolarHBondContact O-CG 3.23Å; D168-R171 PolarHBondContact O-NE 3.06Å; D168-L298 HydrophobicContact CB-CB 3.86Å; D168-D299 HydrophobicContact CB-CB 4.12Å; D168-S304 PolarHBondContact OD1-OG 3.23Å
169I91Very high92Very high112 Ų11241.2 Ų41.257%0.57423%0.226SC*.Hα-helixtrans-80.6-46.9171.7-70163.8000112.1C165 T166 K167 L298C165-I169 WeakPolarHBondContact O-CD1 3.34Å; C165-I169 VanDerWaalsContact O-CG1 3.24Å; C165-I169 WeakPolarHBondContact O-CG1 3.5Å; C165-I169 PolarHBondContact O-N 3.32Å; C165-I169 VanDerWaalsContact O-N 3.08Å; T166-I169 PolarHBondContact O-N 3.43Å; K167-I169 VanDerWaalsContact C-N 3.26Å; K167-I169 PolarHBondContact O-N 2.95Å; I169-L298 HydrophobicContact CD1-CD1 4.27Å; I169-L298 HydrophobicContact CG1-CD1 4.23Å; I169-L298 HydrophobicContact CG1-CD2 4.32Å
170I91.5Very high91.6Very high67 Ų6741.1 Ų41.134%0.34423%0.225SC..Hα-helixtrans-78.3-32.5-175.6-63.7179.7000111.6T166 K167 W172 M193T166-I170 HydrophobicContact CG2-CD1 3.54Å; T166-I170 HydrophobicContact CG2-CG1 4.07Å; T166-I170 WeakPolarHBondContact O-CB 3.44Å; T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.38Å; T166-I170 PolarHBondContact O-N 3.42Å; K167-I170 PolarHBondContact O-N 3.42Å; I170-W172 HydrophobicContact CG2-CB 4Å; I170-W172 HydrophobicContact CG2-CD2 4.42Å; I170-W172 HydrophobicContact CG2-CE3 3.84Å; I170-W172 PolarHBondContact O-N 3.36Å; I170-M193 HydrophobicContact CD1-CE 4.33Å; I170-M193 HydrophobicContact CG2-CE 3.77Å
171R90.3Very high91.2Very high121 Ų12141.1 Ų41.146%0.45723%0.226SC..  trans54.132.1178.2-55.9-170.3-179.8-179-0.9114.9K167 D168 Y191 L298K167-R171 WeakPolarHBondContact O-CA 3.44Å; K167-R171 PolarHBondContact O-N 3.46Å; D168-R171 WeakPolarHBondContact O-CG 3.23Å; D168-R171 PolarHBondContact O-NE 3.06Å; R171-Y191 VanDerWaalsContact C-CD1 3.41Å; R171-Y191 VanDerWaalsContact CA-CD1 3.43Å; R171-Y191 HydrophobicContact CB-CD1 3.97Å; R171-Y191 HydrophobicContact CB-CE1 3.66Å; R171-Y191 HydrophobicContact CB-CE2 4.3Å; R171-Y191 HydrophobicContact CB-CG 4.41Å; R171-Y191 HydrophobicContact CG-CD2 4.4Å; R171-Y191 HydrophobicContact CG-CE1 4.1Å; R171-Y191 HydrophobicContact CG-CE2 3.88Å; R171-L298 PolarHBondContact NH2-O 2.74Å
172W90.7Very high90.8Very high80 Ų8042 Ų4230%0.30323%0.23SC..PPolyproline II helixtrans-68.9130.7-176.1-145.7-107.2000111.3Q15 I170 Y191 S192 M193Q15-W172 VanDerWaalsContact NE2-NE1 3.16Å; I170-W172 HydrophobicContact CG2-CB 4Å; I170-W172 HydrophobicContact CG2-CD2 4.42Å; I170-W172 HydrophobicContact CG2-CE3 3.84Å; I170-W172 PolarHBondContact O-N 3.36Å; W172-Y191 CarbonylContact O-C 3.32Å; W172-Y191 VanDerWaalsContact O-CA 3.31Å; W172-Y191 WeakPolarHBondContact O-CA 3.31Å; W172-Y191 WeakPolarHBondContact O-CB 3.07Å; W172-S192 PolarHBondContact O-N 2.87Å; W172-M193 HydrophobicContact CB-CB 3.71Å; W172-M193 HydrophobicContact CD2-CE 4.01Å; W172-M193 HydrophobicContact CE3-CE 4.15Å; W172-M193 HydrophobicContact CG-CB 3.96Å; W172-M193 HydrophobicContact CG-CE 4.3Å
173P91.2Very high90.2Very high88 Ų8841.5 Ų41.557%0.57123%0.227SC*.PPolyproline II helixtrans-70.8153.5179.429-34.9000112.4S192P173-S192 VanDerWaalsContact O-CB 3.3Å; P173-S192 WeakPolarHBondContact O-CB 3.37Å
174R91.9Very high89.5Confident28 Ų2842.4 Ų42.411%0.10623%0.231CC..PPolyproline II helixtrans-62.5157.3169.2-64.8-75.4174.5171.61111A176 Y187 E190 Y191 M243 H244R174-A176 PolarHBondContact O-N 2.93Å; R174-Y187 PolarHBondContact NE-O 3.31Å; R174-Y187 PolarHBondContact NH2-O 2.98Å; R174-E190 VanDerWaalsContact CG-O 3.25Å; R174-E190 WeakPolarHBondContact CG-O 3.28Å; R174-E190 PolarHBondContact NE-O 3.36Å; R174-E190 IonicContact NH2-OE2 3.59Å; R174-E190 PolarHBondContact NH2-OE2 3.41Å; R174-Y191 PolarHBondContact NH2-O 3.19Å; R174-M243 WeakPolarHBondContact CD-O 3.26Å; R174-M243 PolarHBondContact NH1-O 2.9Å; R174-H244 PolarHBondContact NH1-CD2 3.43Å; R174-H244 PolarHBondContact NH1-CE1 2.93Å; R174-H244 PolarHBondContact NH1-NE2 2.87Å
175P91.7Very high88.8Confident8 Ų843 Ų435%0.05224%0.235CC..PPolyproline II helixtrans-52.8139.6170.4-24.834.3000111.9V180P175-V180 HydrophobicContact CB-CB 4.32Å; P175-V180 HydrophobicContact CB-CG1 4.29Å; P175-V180 HydrophobicContact CB-CG2 4Å
176A88.9Confident87.7Confident53 Ų5345.7 Ų45.744%0.43825%0.245SC..PPolyproline II helixtrans-69.3132.9-179.500000111.5P17 R174 P178 P179 V180P17-A176 HydrophobicContact CG-CB 4.31Å; R174-A176 PolarHBondContact O-N 2.93Å; A176-P178 CarbonylContact C-O 3.54Å; A176-P178 CarbonylContact O-C 3.57Å; A176-P178 VanDerWaalsContact O-C 3.29Å; A176-P179 WeakPolarHBondContact O-CD 3.21Å; A176-V180 WeakPolarHBondContact O-CB 3.36Å; A176-V180 PolarHBondContact O-N 2.93Å
177S85.4Confident86.7Confident42 Ų4245.5 Ų45.529%0.29424%0.242SC..THydrogen-bonded Turntrans-108.4131.8161.5-175.80000109.3E108 V180E108-S177 VanDerWaalsContact CD-OG 3.26Å; E108-S177 WeakPolarHBondContact OE1-CB 3.31Å; E108-S177 PolarHBondContact OE1-OG 3.36Å; E108-S177 PolarHBondContact OE2-OG 3Å; S177-V180 WeakPolarHBondContact CB-O 3.29Å; S177-V180 PolarHBondContact OG-O 2.77Å; S177-V180 VanDerWaalsContact OG-O 3.05Å
178P85.6Confident85.7Confident112 Ų11247.2 Ų47.273%0.72725%0.251SS*.THydrogen-bonded Turncis-62.3162.6-17.228.8-35.2000111.3A176A176-P178 CarbonylContact C-O 3.54Å; A176-P178 CarbonylContact O-C 3.57Å; A176-P178 VanDerWaalsContact O-C 3.29Å
179P89.6Confident85Confident48 Ų4849.4 Ų49.431%0.31227%0.267SS..THydrogen-bonded Turncis-95.7-29.339-38000115.1P17 A21 A176P17-P179 HydrophobicContact CB-CG 4.27Å; A21-P179 HydrophobicContact CB-CB 3.95Å; A21-P179 HydrophobicContact CB-CG 3.97Å; A21-P179 WeakPolarHBondContact CB-O 3.25Å; A176-P179 WeakPolarHBondContact O-CD 3.21Å
180V89.4Confident84.6Confident0 Ų044.4 Ų44.40%024%0.24CC..SBendtrans-86.1122.2-175.9177.90000110.3P17 V20 A21 P175 A176 S177 G242P17-V180 HydrophobicContact CB-CG2 3.75Å; P17-V180 WeakPolarHBondContact O-CG2 3.5Å; V20-V180 HydrophobicContact CB-CG1 4.31Å; V20-V180 HydrophobicContact CB-CG2 3.75Å; V20-V180 HydrophobicContact CG1-CB 4.49Å; V20-V180 HydrophobicContact CG1-CG1 3.62Å; V20-V180 HydrophobicContact CG1-CG2 4.01Å; A21-V180 HydrophobicContact CB-CG2 4.25Å; P175-V180 HydrophobicContact CB-CB 4.32Å; P175-V180 HydrophobicContact CB-CG1 4.29Å; P175-V180 HydrophobicContact CB-CG2 4Å; A176-V180 WeakPolarHBondContact O-CB 3.36Å; A176-V180 PolarHBondContact O-N 2.93Å; S177-V180 WeakPolarHBondContact CB-O 3.29Å; S177-V180 PolarHBondContact OG-O 2.77Å; S177-V180 VanDerWaalsContact OG-O 3.05Å; V180-G242 WeakPolarHBondContact CG1-O 3.19Å
181I88Confident84.5Confident13 Ų1343.4 Ų43.47%0.06723%0.233CC..  trans-81.3125.1-178.4-60.7164.5000109.3Q24 V29 E30 V31 E108 A110 L183Q24-I181 PolarHBondContact NE2-O 3.29Å; V29-I181 HydrophobicContact CG1-CB 4.47Å; V29-I181 HydrophobicContact CG1-CD1 3.96Å; V29-I181 HydrophobicContact CG1-CG2 4.43Å; E30-I181 VanDerWaalsContact C-CD1 3.49Å; V31-I181 HydrophobicContact CG2-CD1 3.8Å; V31-I181 HydrophobicContact CG2-CG1 4.07Å; E108-I181 VanDerWaalsContact OE2-CA 3.31Å; E108-I181 WeakPolarHBondContact OE2-CA 3.42Å; A110-I181 HydrophobicContact CB-CG2 3.78Å; I181-L183 HydrophobicContact CG2-CD2 4.02Å; I181-L183 PolarHBondContact O-N 3.35Å
182K87.7Confident84.6Confident35 Ų3537.6 Ų37.615%0.15221%0.211CC..  trans-9197.3-177.5-69.6-179.4177.2178.80111.5E108 E184 N188E108-K182 PolarHBondContact OE2-N 2.77Å; K182-E184 VanDerWaalsContact C-N 3.32Å; K182-N188 WeakPolarHBondContact CD-OD1 3.48Å; K182-N188 WeakPolarHBondContact CE-OD1 3Å; K182-N188 PolarHBondContact NZ-OD1 3.21Å
183L85Confident84.7Confident27 Ų2735.1 Ų35.114%0.14120%0.203CC..SBendtrans-78.9-17.8178.8-58.5-179.3000112.9V29 A110 I181 Y240 M241V29-L183 HydrophobicContact CG1-CD1 4.32Å; V29-L183 HydrophobicContact CG1-CD2 4.15Å; V29-L183 HydrophobicContact CG2-CD1 4.25Å; A110-L183 HydrophobicContact CB-CD2 3.52Å; I181-L183 HydrophobicContact CG2-CD2 4.02Å; I181-L183 PolarHBondContact O-N 3.35Å; L183-Y240 HydrophobicContact CD1-CD1 3.96Å; L183-Y240 HydrophobicContact CD1-CE1 3.6Å; L183-M241 HydrophobicContact CB-SD 3.71Å; L183-M241 HydrophobicContact CD1-SD 4.08Å; L183-M241 PolarHBondContact N-O 3.06Å
184E80.7Confident84.9Confident20 Ų2031.1 Ų31.19%0.09318%0.177CC..  trans-123.3138.4173.9-176.5173.1-122.300109.3T125 K182 Y187 R238 M241 M243T125-E184 WeakPolarHBondContact CG2-OE1 3.48Å; K182-E184 VanDerWaalsContact C-N 3.32Å; E184-Y187 HydrophobicContact CG-CD2 4.33Å; E184-R238 IonicContact OE2-CZ 2.89Å; E184-R238 IonicContact OE2-NH1 2.73Å; E184-R238 PolarHBondContact OE2-NH1 2.71Å; E184-R238 IonicContact OE2-NH2 3.77Å; E184-R238 PolarHBondContact OE2-NH2 3.39Å; E184-M241 HydrophobicContact CB-CB 4.33Å; E184-M243 HydrophobicContact CB-CG 4.03Å; E184-M243 HydrophobicContact CB-SD 4.06Å
185I76.4Confident85.2Confident16 Ų1629.8 Ų29.88%0.08217%0.172CC..  trans-121.8-18.5-170.3-43.1148.7000111R98 N100 E105 Y187 N188R98-I185 HydrophobicContact CB-CD1 3.61Å; R98-I185 WeakPolarHBondContact O-CD1 3.47Å; N100-I185 HydrophobicContact CB-CG2 4.15Å; N100-I185 PolarHBondContact ND2-O 2.87Å; N100-I185 VanDerWaalsContact ND2-O 3.09Å; E105-I185 HydrophobicContact CB-CG2 3.79Å; I185-Y187 VanDerWaalsContact C-N 3.35Å; I185-Y187 PolarHBondContact O-N 3.33Å; I185-N188 HydrophobicContact CG2-CB 4.45Å; I185-N188 WeakPolarHBondContact O-CB 3.33Å; I185-N188 PolarHBondContact O-N 2.71Å; I185-N188 VanDerWaalsContact O-N 3.16Å
186F69.9Low85.4Confident63 Ų6329.6 Ų29.628%0.27617%0.171SC..THydrogen-bonded Turntrans-59.9-44.4-173.1-171.4-96.1000112.3N100 L102N100-F186 WeakPolarHBondContact ND2-CA 3.44Å; N100-F186 PolarHBondContact ND2-O 2.66Å; N100-F186 VanDerWaalsContact ND2-O 3.17Å; L102-F186 HydrophobicContact CD1-CE2 3.72Å; L102-F186 HydrophobicContact CD1-CZ 3.68Å; L102-F186 HydrophobicContact CG-CE2 4.26Å
187Y72.8Confident85.7Confident22 Ų2227.4 Ų27.49%0.08615%0.152CC..THydrogen-bonded Turntrans-93.916.4179.9-50.2-76.3000113.8N129 R174 E184 I185 S189 E190 H197N129-Y187 PolarHBondContact OD1-OH 3.02Å; R174-Y187 PolarHBondContact NE-O 3.31Å; R174-Y187 PolarHBondContact NH2-O 2.98Å; E184-Y187 HydrophobicContact CG-CD2 4.33Å; I185-Y187 VanDerWaalsContact C-N 3.35Å; I185-Y187 PolarHBondContact O-N 3.33Å; Y187-S189 VanDerWaalsContact C-N 3.3Å; Y187-S189 PolarHBondContact O-N 3.12Å; Y187-E190 PolarHBondContact O-N 3.45Å; Y187-H197 AromaticContact CE2-CE1 3.7Å; Y187-H197 AromaticContact CE2-NE2 3.94Å; Y187-H197 AromaticContact CZ-CE1 3.88Å
188N73.8Confident86.3Confident36 Ų3625.4 Ų25.419%0.19314%0.138CC..THydrogen-bonded Turntrans-65.2-31.7-174.5-178.452.8000113.3E105 K182 I185E105-N188 PolarHBondContact OE1-ND2 3.32Å; K182-N188 WeakPolarHBondContact CD-OD1 3.48Å; K182-N188 WeakPolarHBondContact CE-OD1 3Å; K182-N188 PolarHBondContact NZ-OD1 3.21Å; I185-N188 HydrophobicContact CG2-CB 4.45Å; I185-N188 WeakPolarHBondContact O-CB 3.33Å; I185-N188 PolarHBondContact O-N 2.71Å; I185-N188 VanDerWaalsContact O-N 3.16Å
189S74.4Confident86.9Confident47 Ų4720.1 Ų20.133%0.32910%0.103SC..THydrogen-bonded Turntrans-83.5-3.8179.849.40000114.6Y187Y187-S189 VanDerWaalsContact C-N 3.3Å; Y187-S189 PolarHBondContact O-N 3.12Å
190E81.5Confident87.3Confident6 Ų617.9 Ų17.93%0.0289%0.088CC..SBendtrans-91.4155178.6-63.6-173.1173.700113.1K167 R174 Y187 T303K167-E190 IonicContact NZ-OE2 2.74Å; K167-E190 PolarHBondContact NZ-OE2 3.41Å; R174-E190 VanDerWaalsContact CG-O 3.25Å; R174-E190 WeakPolarHBondContact CG-O 3.28Å; R174-E190 PolarHBondContact NE-O 3.36Å; R174-E190 IonicContact NH2-OE2 3.59Å; R174-E190 PolarHBondContact NH2-OE2 3.41Å; Y187-E190 PolarHBondContact O-N 3.45Å; E190-T303 WeakPolarHBondContact CG-OG1 3.42Å; E190-T303 PolarHBondContact OE1-OG1 3.07Å
191Y89.6Confident87.7Confident46 Ų4617.9 Ų17.918%0.189%0.089CC..  trans-61.3154.2166.3-52.5-60.5000113.1K167 R171 W172 R174K167-Y191 WeakPolarHBondContact CD-O 3.1Å; K167-Y191 WeakPolarHBondContact CE-O 3.19Å; K167-Y191 WeakPolarHBondContact O-CD2 3.42Å; R171-Y191 VanDerWaalsContact C-CD1 3.41Å; R171-Y191 VanDerWaalsContact CA-CD1 3.43Å; R171-Y191 HydrophobicContact CB-CD1 3.97Å; R171-Y191 HydrophobicContact CB-CE1 3.66Å; R171-Y191 HydrophobicContact CB-CE2 4.3Å; R171-Y191 HydrophobicContact CB-CG 4.41Å; R171-Y191 HydrophobicContact CG-CD2 4.4Å; R171-Y191 HydrophobicContact CG-CE1 4.1Å; R171-Y191 HydrophobicContact CG-CE2 3.88Å; W172-Y191 CarbonylContact O-C 3.32Å; W172-Y191 VanDerWaalsContact O-CA 3.31Å; W172-Y191 WeakPolarHBondContact O-CA 3.31Å; W172-Y191 WeakPolarHBondContact O-CB 3.07Å; R174-Y191 PolarHBondContact NH2-O 3.19Å
192S92Very high88.2Confident0 Ų017.3 Ų17.30%09%0.086CC..  trans-98.1-37.1-167.4-152.40000114.7W172 P173 P194 M243 H244 D248W172-S192 PolarHBondContact O-N 2.87Å; P173-S192 VanDerWaalsContact O-CB 3.3Å; P173-S192 WeakPolarHBondContact O-CB 3.37Å; S192-P194 CarbonylContact O-C 3.35Å; S192-P194 VanDerWaalsContact O-C 3.32Å; S192-M243 PolarHBondContact OG-O 3.38Å; S192-H244 PolarHBondContact O-CE1 3.36Å; S192-H244 PolarHBondContact O-ND1 3.45Å; S192-H244 PolarHBondContact OG-ND1 2.8Å; S192-D248 WeakPolarHBondContact CB-OD2 3.42Å; S192-D248 PolarHBondContact OG-OD2 3.27Å
193M92.6Very high88.7Confident27 Ų2715.7 Ų15.713%0.1338%0.079CC..SBendtrans-108.7128.1-175.6-171.7168.969.100110.6I170 W172 L247 D248 A251I170-M193 HydrophobicContact CD1-CE 4.33Å; I170-M193 HydrophobicContact CG2-CE 3.77Å; W172-M193 HydrophobicContact CB-CB 3.71Å; W172-M193 HydrophobicContact CD2-CE 4.01Å; W172-M193 HydrophobicContact CE3-CE 4.15Å; W172-M193 HydrophobicContact CG-CB 3.96Å; W172-M193 HydrophobicContact CG-CE 4.3Å; M193-L247 HydrophobicContact SD-CD2 4.43Å; M193-L247 HydrophobicContact SD-CG 4.24Å; M193-D248 HydrophobicContact CB-CB 4.32Å; M193-A251 HydrophobicContact CG-CB 3.83Å; M193-A251 HydrophobicContact SD-CB 3.79Å
194P96.6Very high89.3Confident4 Ų414.6 Ų14.63%0.0267%0.073CC..SBendcis-78.3157.5-4.233.2-36.4000113.2T166 S192 T196 M199 Y255T166-P194 HydrophobicContact CG2-CG 4.19Å; S192-P194 CarbonylContact O-C 3.35Å; S192-P194 VanDerWaalsContact O-C 3.32Å; P194-T196 PolarHBondContact O-N 3.11Å; P194-T196 VanDerWaalsContact O-N 3.17Å; P194-M199 HydrophobicContact CB-CG 4.48Å; P194-M199 HydrophobicContact CB-SD 3.7Å; P194-M199 HydrophobicContact CG-SD 3.53Å; P194-M199 VanDerWaalsContact CG-SD 3.53Å; P194-Y255 HydrophobicContact CB-CD1 4.45Å; P194-Y255 HydrophobicContact CG-CD1 4.08Å; P194-Y255 HydrophobicContact CG-CE1 4.47Å
195S96.6Very high90.1Very high0 Ų013.6 Ų13.60%07%0.069CC..  trans-74.4105.2173.1-174.90000111.5H197 A198 M199 H244 D248S195-H197 VanDerWaalsContact C-N 3.32Å; S195-H197 PolarHBondContact O-N 2.85Å; S195-A198 WeakPolarHBondContact O-CB 3.33Å; S195-A198 PolarHBondContact O-N 2.97Å; S195-A198 VanDerWaalsContact O-N 3.08Å; S195-M199 WeakPolarHBondContact O-CG 3.28Å; S195-M199 PolarHBondContact O-N 3.09Å; S195-H244 VanDerWaalsContact CA-CE1 3.42Å; S195-H244 WeakPolarHBondContact CA-CE1 3.26Å; S195-H244 VanDerWaalsContact CB-CE1 3.44Å; S195-H244 WeakPolarHBondContact CB-CE1 3.45Å; S195-H244 WeakPolarHBondContact CB-ND1 3.37Å; S195-H244 PolarHBondContact OG-CD2 3.1Å; S195-H244 PolarHBondContact OG-CE1 2.88Å; S195-H244 VanDerWaalsContact OG-CE1 3.3Å; S195-H244 PolarHBondContact OG-NE2 2.97Å; S195-D248 PolarHBondContact N-O 2.86Å; S195-D248 VanDerWaalsContact N-O 3.07Å
196T95.8Very high91.1Very high5 Ų514.2 Ų14.23%0.0317%0.072CC..Hα-helixtrans-60.7-35.7179.941.80000113.4Q164 K167 P194 M199 S200Q164-T196 HydrophobicContact CG-CG2 4.4Å; K167-T196 PolarHBondContact NZ-OG1 3.35Å; P194-T196 PolarHBondContact O-N 3.11Å; P194-T196 VanDerWaalsContact O-N 3.17Å; T196-M199 WeakPolarHBondContact O-CB 3.03Å; T196-M199 PolarHBondContact O-N 3.12Å; T196-S200 PolarHBondContact O-N 2.94Å; T196-S200 PolarHBondContact O-OG 3Å
197H96.3Very high92.5Very high7 Ų711.2 Ų11.23%0.0326%0.058CC..Hα-helixtrans-63.7-43.1171.5-68.373.7000112.1N129 Y187 S195 M199 S200 G201 V234 R238N129-H197 PolarHBondContact OD1-NE2 3.09Å; Y187-H197 AromaticContact CE2-CE1 3.7Å; Y187-H197 AromaticContact CE2-NE2 3.94Å; Y187-H197 AromaticContact CZ-CE1 3.88Å; S195-H197 VanDerWaalsContact C-N 3.32Å; S195-H197 PolarHBondContact O-N 2.85Å; H197-M199 VanDerWaalsContact C-N 3.3Å; H197-M199 PolarHBondContact O-N 2.81Å; H197-S200 PolarHBondContact O-OG 3.11Å; H197-G201 WeakPolarHBondContact O-CA 2.92Å; H197-G201 PolarHBondContact O-N 3.41Å; H197-V234 HydrophobicContact CB-CG1 4.21Å; H197-V234 WeakPolarHBondContact O-CG1 3.25Å; H197-R238 VanDerWaalsContact CB-CD 3.42Å; H197-R238 HydrophobicContact CB-CG 3.71Å; H197-R238 PolarHBondContact CE1-NH2 2.83Å; H197-R238 VanDerWaalsContact CE1-NH2 3.28Å; H197-R238 PolarHBondContact ND1-NE 2.92Å; H197-R238 PolarHBondContact ND1-NH2 3.33Å
198A97.7Very high93.6Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-65.6-36.6174.600000111.4S195 T202 V249S195-A198 WeakPolarHBondContact O-CB 3.33Å; S195-A198 PolarHBondContact O-N 2.97Å; S195-A198 VanDerWaalsContact O-N 3.08Å; A198-T202 VanDerWaalsContact O-CB 3.28Å; A198-T202 WeakPolarHBondContact O-CB 3.48Å; A198-T202 PolarHBondContact O-N 2.89Å; A198-T202 PolarHBondContact O-OG1 3.07Å; A198-V249 HydrophobicContact CB-CG1 4.09Å
199M98.4Very high94.7Very high0 Ų010.3 Ų10.30%06%0.055CC..Hα-helixtrans-61.6-52.5175.6-72.1175.870.800112.1V159 P194 S195 T196 H197 T202 A203 G252 Y255 T256 I259V159-M199 HydrophobicContact CG1-CB 3.81Å; V159-M199 HydrophobicContact CG1-CE 4.04Å; V159-M199 VanDerWaalsContact O-CE 3.26Å; V159-M199 WeakPolarHBondContact O-CE 3.41Å; P194-M199 HydrophobicContact CB-CG 4.48Å; P194-M199 HydrophobicContact CB-SD 3.7Å; P194-M199 HydrophobicContact CG-SD 3.53Å; P194-M199 VanDerWaalsContact CG-SD 3.53Å; S195-M199 WeakPolarHBondContact O-CG 3.28Å; S195-M199 PolarHBondContact O-N 3.09Å; T196-M199 WeakPolarHBondContact O-CB 3.03Å; T196-M199 PolarHBondContact O-N 3.12Å; H197-M199 VanDerWaalsContact C-N 3.3Å; H197-M199 PolarHBondContact O-N 2.81Å; M199-T202 PolarHBondContact O-N 2.97Å; M199-A203 VanDerWaalsContact O-CB 3.26Å; M199-A203 WeakPolarHBondContact O-CB 3.29Å; M199-A203 PolarHBondContact O-N 3.26Å; M199-G252 VanDerWaalsContact CG-O 3.31Å; M199-G252 WeakPolarHBondContact CG-O 3.41Å; M199-Y255 HydrophobicContact CE-CD1 3.41Å; M199-Y255 VanDerWaalsContact CE-CD1 3.41Å; M199-Y255 HydrophobicContact CE-CE1 3.79Å; M199-Y255 HydrophobicContact CE-CG 4.32Å; M199-Y255 HydrophobicContact SD-CD1 3.97Å; M199-T256 VanDerWaalsContact C-OG1 3.31Å; M199-T256 WeakPolarHBondContact CA-OG1 3.46Å; M199-T256 VanDerWaalsContact CB-OG1 3.28Å; M199-T256 WeakPolarHBondContact CB-OG1 3.33Å; M199-T256 PolarHBondContact O-OG1 2.91Å; M199-I259 HydrophobicContact CE-CD1 3.65Å
200S97.6Very high95.8Very high1 Ų112 Ų121%0.0076%0.059CC..Hα-helixtrans-71.1-39.3179.964.70000112.6Y133 T196 H197 T202 A203 I204Y133-S200 WeakPolarHBondContact OH-CB 3.41Å; Y133-S200 PolarHBondContact OH-OG 2.96Å; T196-S200 PolarHBondContact O-N 2.94Å; T196-S200 PolarHBondContact O-OG 3Å; H197-S200 PolarHBondContact O-OG 3.11Å; S200-T202 PolarHBondContact O-N 2.99Å; S200-A203 PolarHBondContact O-N 3.32Å; S200-A203 VanDerWaalsContact O-N 3.13Å; S200-I204 WeakPolarHBondContact O-CB 3.09Å; S200-I204 WeakPolarHBondContact O-CG1 3.45Å; S200-I204 PolarHBondContact O-N 3.3Å
201G97.7Very high96.4Very high1 Ų112.2 Ų12.21%0.016%0.061CC..Hα-helixtrans-63.7-20.3173.800000114.1H197 P205 S231H197-G201 WeakPolarHBondContact O-CA 2.92Å; H197-G201 PolarHBondContact O-N 3.41Å; G201-P205 VanDerWaalsContact O-CD 3.28Å; G201-P205 WeakPolarHBondContact O-CD 3.46Å; G201-P205 WeakPolarHBondContact O-CG 3.46Å; G201-S231 PolarHBondContact O-OG 3.02Å
202T98.2Very high96.7Very high0 Ų010.6 Ų10.60%06%0.056CC..Hα-helixtrans-88.8-43168.2-55.80000111.1A198 M199 S200 I206 F253 T256 I257A198-T202 VanDerWaalsContact O-CB 3.28Å; A198-T202 WeakPolarHBondContact O-CB 3.48Å; A198-T202 PolarHBondContact O-N 2.89Å; A198-T202 PolarHBondContact O-OG1 3.07Å; M199-T202 PolarHBondContact O-N 2.97Å; S200-T202 PolarHBondContact O-N 2.99Å; T202-I206 HydrophobicContact CG2-CD1 3.71Å; T202-I206 WeakPolarHBondContact O-CD1 3.45Å; T202-I206 VanDerWaalsContact O-CG1 3.27Å; T202-I206 WeakPolarHBondContact O-CG1 3.35Å; T202-I206 PolarHBondContact O-N 3.31Å; T202-F253 HydrophobicContact CG2-CD2 3.54Å; T202-F253 HydrophobicContact CG2-CE2 3.65Å; T202-F253 HydrophobicContact CG2-CG 4.35Å; T202-F253 WeakPolarHBondContact OG1-CD2 3.4Å; T202-T256 HydrophobicContact CG2-CG2 3.71Å; T202-I257 HydrophobicContact CG2-CD1 4.27Å
203A98.3Very high96.8Very high1 Ų116.6 Ų16.61%0.0088%0.079CC..Hα-helixtrans-68.4-47.2-171.600000112.8I155 V159 M199 S200 I206 A207 T256I155-A203 HydrophobicContact CG2-CB 4.5Å; V159-A203 HydrophobicContact CB-CB 4.33Å; V159-A203 HydrophobicContact CG1-CB 3.97Å; V159-A203 HydrophobicContact CG2-CB 3.87Å; M199-A203 VanDerWaalsContact O-CB 3.26Å; M199-A203 WeakPolarHBondContact O-CB 3.29Å; M199-A203 PolarHBondContact O-N 3.26Å; S200-A203 PolarHBondContact O-N 3.32Å; S200-A203 VanDerWaalsContact O-N 3.13Å; A203-I206 PolarHBondContact O-N 3.4Å; A203-A207 WeakPolarHBondContact O-CB 3.31Å; A203-A207 PolarHBondContact O-N 3.24Å; A203-T256 HydrophobicContact CB-CG2 3.66Å
204I97.9Very high96.7Very high4 Ų417.8 Ų17.82%0.02110%0.099CC..Hα-helixtrans-61.8-54.4-174.7-67.6174.7000111.9F132 Y133 F136 F137 S200 I206 A207 M208F132-I204 HydrophobicContact CE1-CD1 4.03Å; Y133-I204 HydrophobicContact CD1-CD1 4.26Å; Y133-I204 HydrophobicContact CE1-CD1 3.79Å; F136-I204 HydrophobicContact CE1-CG2 3.7Å; F136-I204 HydrophobicContact CZ-CG2 3.82Å; F137-I204 HydrophobicContact CZ-CD1 4.23Å; S200-I204 WeakPolarHBondContact O-CB 3.09Å; S200-I204 WeakPolarHBondContact O-CG1 3.45Å; S200-I204 PolarHBondContact O-N 3.3Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 PolarHBondContact O-N 3.28Å; I204-A207 PolarHBondContact O-N 2.83Å; I204-M208 HydrophobicContact CG2-CG 4.36Å; I204-M208 HydrophobicContact CG2-SD 3.88Å; I204-M208 WeakPolarHBondContact O-CB 3.14Å; I204-M208 WeakPolarHBondContact O-CG 3.27Å; I204-M208 PolarHBondContact O-N 3.29Å
205P97.9Very high96.5Very high0 Ų018.4 Ų18.40%010%0.1CC..Hα-helixtrans-67.5-31.1-178.727.6-36.4000113.1G201 I209 I227 W230G201-P205 VanDerWaalsContact O-CD 3.28Å; G201-P205 WeakPolarHBondContact O-CD 3.46Å; G201-P205 WeakPolarHBondContact O-CG 3.46Å; P205-I209 WeakPolarHBondContact O-CG1 3.41Å; P205-I209 PolarHBondContact O-N 3.38Å; P205-I227 HydrophobicContact CB-CG1 4.25Å; P205-W230 HydrophobicContact CB-CB 4.13Å; P205-W230 HydrophobicContact CB-CD2 4.48Å; P205-W230 HydrophobicContact CB-CG 4.15Å; P205-W230 HydrophobicContact CG-CB 4.05Å; P205-W230 HydrophobicContact CG-CG 3.9Å
206I98.1Very high96.4Very high28 Ų2821.1 Ų21.114%0.14411%0.111CC..Hα-helixtrans-69.1-50.1174-65176000110.2T202 A203 I204 M208 I209 L210 I227 I257 L260T202-I206 HydrophobicContact CG2-CD1 3.71Å; T202-I206 WeakPolarHBondContact O-CD1 3.45Å; T202-I206 VanDerWaalsContact O-CG1 3.27Å; T202-I206 WeakPolarHBondContact O-CG1 3.35Å; T202-I206 PolarHBondContact O-N 3.31Å; A203-I206 PolarHBondContact O-N 3.4Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 PolarHBondContact O-N 3.28Å; I206-M208 VanDerWaalsContact C-N 3.32Å; I206-M208 PolarHBondContact O-N 3.22Å; I206-I209 PolarHBondContact O-N 3.07Å; I206-L210 HydrophobicContact CG2-CD1 3.77Å; I206-L210 HydrophobicContact CG2-CG 4.19Å; I206-L210 WeakPolarHBondContact O-CG 3.32Å; I206-L210 PolarHBondContact O-N 3.15Å; I206-I227 HydrophobicContact CD1-CG2 4.3Å; I206-I227 HydrophobicContact CG1-CD1 4.19Å; I206-I227 HydrophobicContact CG1-CG1 4.19Å; I206-I227 HydrophobicContact CG1-CG2 3.68Å; I206-I257 HydrophobicContact CD1-CD1 3.57Å; I206-L260 HydrophobicContact CB-CD1 4.06Å; I206-L260 HydrophobicContact CD1-CD1 4.4Å; I206-L260 HydrophobicContact CG2-CD1 3.75Å
207A97.9Very high96.2Very high0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-60.3-39.4178.600000112.4L152 I155 A203 I204 I209 L210 L211L152-A207 HydrophobicContact CD2-CB 3.74Å; I155-A207 HydrophobicContact CD1-CB 3.61Å; I155-A207 HydrophobicContact CG2-CB 4.11Å; A203-A207 WeakPolarHBondContact O-CB 3.31Å; A203-A207 PolarHBondContact O-N 3.24Å; I204-A207 PolarHBondContact O-N 2.83Å; A207-I209 PolarHBondContact O-N 3.24Å; A207-L210 PolarHBondContact O-N 2.96Å; A207-L211 VanDerWaalsContact O-CB 3.25Å; A207-L211 WeakPolarHBondContact O-CB 3.47Å; A207-L211 WeakPolarHBondContact O-CD1 3.27Å; A207-L211 WeakPolarHBondContact O-CG 3.21Å; A207-L211 PolarHBondContact O-N 2.75Å
208M97Very high96.1Very high19 Ų1927.6 Ų27.69%0.09414%0.139CC..Hα-helixtrans-52.7-54.2172.9-78.8167.950.600110.9F136 W140 L152 I204 I206 L211 T212 L226F136-M208 HydrophobicContact CE2-SD 4.26Å; F136-M208 HydrophobicContact CZ-CG 4.35Å; F136-M208 HydrophobicContact CZ-SD 3.71Å; W140-M208 HydrophobicContact CH2-CB 4.26Å; W140-M208 HydrophobicContact CH2-CE 3.93Å; W140-M208 HydrophobicContact CH2-CG 3.78Å; W140-M208 HydrophobicContact CH2-SD 4.37Å; W140-M208 HydrophobicContact CZ3-CE 3.69Å; W140-M208 HydrophobicContact CZ3-CG 3.76Å; W140-M208 HydrophobicContact CZ3-SD 3.88Å; L152-M208 HydrophobicContact CD1-CG 3.98Å; L152-M208 HydrophobicContact CD2-CB 4.47Å; L152-M208 HydrophobicContact CD2-CG 3.83Å; I204-M208 HydrophobicContact CG2-CG 4.36Å; I204-M208 HydrophobicContact CG2-SD 3.88Å; I204-M208 WeakPolarHBondContact O-CB 3.14Å; I204-M208 WeakPolarHBondContact O-CG 3.27Å; I204-M208 PolarHBondContact O-N 3.29Å; I206-M208 VanDerWaalsContact C-N 3.32Å; I206-M208 PolarHBondContact O-N 3.22Å; M208-L211 PolarHBondContact O-N 3.06Å; M208-T212 PolarHBondContact O-N 2.78Å; M208-T212 PolarHBondContact O-OG1 3.22Å; M208-L226 HydrophobicContact CE-CD2 3.58Å
209I97.1Very high95.9Very high20 Ų2030.8 Ų30.810%0.10316%0.16CC..Hα-helixtrans-70-36.9-176.3-61.4-59.2000111.9P205 I206 A207 L211 Y213 Y218 L220 I227P205-I209 WeakPolarHBondContact O-CG1 3.41Å; P205-I209 PolarHBondContact O-N 3.38Å; I206-I209 PolarHBondContact O-N 3.07Å; A207-I209 PolarHBondContact O-N 3.24Å; I209-L211 VanDerWaalsContact C-N 3.29Å; I209-L211 PolarHBondContact O-N 3.22Å; I209-Y213 WeakPolarHBondContact O-CB 3.48Å; I209-Y213 PolarHBondContact O-N 3.11Å; I209-Y218 HydrophobicContact CD1-CE2 4.14Å; I209-L220 HydrophobicContact CG2-CD1 4.28Å; I209-I227 HydrophobicContact CB-CD1 4.11Å; I209-I227 HydrophobicContact CG1-CD1 3.99Å; I209-I227 HydrophobicContact CG1-CG1 4.23Å; I209-I227 HydrophobicContact CG2-CD1 4.41Å
210L96.6Very high95.7Very high82 Ų8234 Ų3443%0.42918%0.177SC..Hα-helixtrans-62.4-36.5173.9-70.2174.7000112.5I206 A207 Y264I206-L210 HydrophobicContact CG2-CD1 3.77Å; I206-L210 HydrophobicContact CG2-CG 4.19Å; I206-L210 WeakPolarHBondContact O-CG 3.32Å; I206-L210 PolarHBondContact O-N 3.15Å; A207-L210 PolarHBondContact O-N 2.96Å; L210-Y264 HydrophobicContact CB-CD2 4.49Å; L210-Y264 HydrophobicContact CB-CE2 3.7Å; L210-Y264 HydrophobicContact CD1-CD2 4.06Å; L210-Y264 HydrophobicContact CD1-CE2 4.08Å; L210-Y264 HydrophobicContact CD1-CG 4.32Å; L210-Y264 PolarHBondContact O-OH 3.36Å; L210-Y264 VanDerWaalsContact O-OH 3.1Å
211L95.6Very high95.6Very high11 Ų1138.3 Ų38.36%0.05820%0.199CC..Hα-helixtrans-87.6-24.4-176.7-67.4170.7000114.4V148 R151 L152 I155 A207 M208 I209 Y264V148-L211 HydrophobicContact CB-CB 4.49Å; V148-L211 HydrophobicContact CG1-CB 3.76Å; V148-L211 HydrophobicContact CG1-CD1 4.12Å; V148-L211 HydrophobicContact CG2-CB 4.16Å; R151-L211 HydrophobicContact CB-CD1 3.58Å; R151-L211 HydrophobicContact CB-CD2 4.03Å; R151-L211 HydrophobicContact CB-CG 4.46Å; R151-L211 HydrophobicContact CG-CD2 4.46Å; L152-L211 HydrophobicContact CD2-CD1 4.03Å; L152-L211 HydrophobicContact CG-CD1 4.1Å; I155-L211 HydrophobicContact CD1-CD1 4.12Å; A207-L211 VanDerWaalsContact O-CB 3.25Å; A207-L211 WeakPolarHBondContact O-CB 3.47Å; A207-L211 WeakPolarHBondContact O-CD1 3.27Å; A207-L211 WeakPolarHBondContact O-CG 3.21Å; A207-L211 PolarHBondContact O-N 2.75Å; M208-L211 PolarHBondContact O-N 3.06Å; I209-L211 VanDerWaalsContact C-N 3.29Å; I209-L211 PolarHBondContact O-N 3.22Å; L211-Y264 HydrophobicContact CD2-CE2 3.81Å; L211-Y264 HydrophobicContact CG-CE2 4.09Å
212T95.2Very high95.4Very high13 Ų1345.1 Ų45.18%0.0823%0.225CC..Hα-helixtrans-101.2-24.8178.659.90000114.2W140 V148 M208 G214 R215 W216 Y218W140-T212 HydrophobicContact CH2-CG2 4.31Å; W140-T212 HydrophobicContact CZ2-CG2 3.76Å; V148-T212 HydrophobicContact CG1-CG2 4.07Å; V148-T212 HydrophobicContact CG2-CG2 4.18Å; M208-T212 PolarHBondContact O-N 2.78Å; M208-T212 PolarHBondContact O-OG1 3.22Å; T212-G214 PolarHBondContact O-N 2.88Å; T212-R215 PolarHBondContact O-N 2.92Å; T212-W216 PolarHBondContact O-N 3.15Å; T212-Y218 PolarHBondContact OG1-OH 3.4Å
213Y93.3Very high95.3Very high126 Ų12645.1 Ų45.149%0.49423%0.225SC..BIsolated β-bridgetrans-66.8128.9-179.4-173.4-117.1000110.9I209 R215 Y218 L220I209-Y213 WeakPolarHBondContact O-CB 3.48Å; I209-Y213 PolarHBondContact O-N 3.11Å; Y213-R215 PolarHBondContact O-N 3.29Å; Y213-R215 VanDerWaalsContact O-N 3.13Å; Y213-Y218 WeakPolarHBondContact CA-OH 3.26Å; Y213-Y218 PolarHBondContact N-OH 2.87Å; Y213-L220 HydrophobicContact CD1-CD1 4.39Å; Y213-L220 HydrophobicContact CD2-CB 4.4Å; Y213-L220 HydrophobicContact CD2-CD1 4Å; Y213-L220 HydrophobicContact CE1-CD1 4.4Å; Y213-L220 HydrophobicContact CE2-CB 3.76Å; Y213-L220 HydrophobicContact CE2-CD1 4.04Å; Y213-L220 HydrophobicContact CE2-CG 4.34Å; Y213-L220 HydrophobicContact CG-CD1 4.2Å
214G91.1Very high95.1Very high52 Ų5250.1 Ų50.154%0.53625%0.251SS..THydrogen-bonded Turntrans76.1-19.1-171.600000114.8T212 P340T212-G214 PolarHBondContact O-N 2.88Å; G214-P340 WeakPolarHBondContact O-CB 3.31Å
215R93.1Very high95.1Very high17 Ų1754.4 Ų54.46%0.06427%0.273CS..THydrogen-bonded Turntrans-84.4-34.8169-177.1173.116984.43.6112.2D145 F147 T212 Y213 L339 P340 L341D145-R215 IonicContact OD1-CZ 3.44Å; D145-R215 IonicContact OD1-NE 3.09Å; D145-R215 IonicContact OD1-NH2 2.77Å; D145-R215 PolarHBondContact OD1-NH2 2.93Å; D145-R215 IonicContact OD2-CZ 3.68Å; D145-R215 IonicContact OD2-NE 3.87Å; D145-R215 PolarHBondContact OD2-NE 3.03Å; D145-R215 IonicContact OD2-NH2 2.77Å; D145-R215 PolarHBondContact OD2-NH2 3.36Å; F147-R215 VanDerWaalsContact CB-NH2 3.3Å; F147-R215 VanDerWaalsContact CD1-CZ 3.49Å; T212-R215 PolarHBondContact O-N 2.92Å; Y213-R215 PolarHBondContact O-N 3.29Å; Y213-R215 VanDerWaalsContact O-N 3.13Å; R215-L339 HydrophobicContact CG-CD2 4.1Å; R215-P340 WeakPolarHBondContact O-CA 3.37Å; R215-L341 WeakPolarHBondContact O-CB 3.39Å; R215-L341 PolarHBondContact O-N 3.31Å
216W93.3Very high95Very high57 Ų5757 Ų5722%0.21629%0.287CS..BIsolated β-bridgetrans-120.4146.1176.4-73.986.5000111.5D145 T212 Y218 L341D145-W216 HydrophobicContact CB-CZ2 4.15Å; D145-W216 PolarHBondContact OD2-NE1 3.2Å; T212-W216 PolarHBondContact O-N 3.15Å; W216-Y218 HydrophobicContact CB-CD1 3.96Å; W216-Y218 HydrophobicContact CB-CE1 4.19Å; W216-Y218 PolarHBondContact O-N 3.08Å; W216-Y218 VanDerWaalsContact O-N 3.16Å; W216-L341 CarbonylContact C-O 3.6Å; W216-L341 WeakPolarHBondContact CA-O 3.33Å; W216-L341 HydrophobicContact CD2-CB 3.75Å; W216-L341 HydrophobicContact CD2-CD1 4.12Å; W216-L341 HydrophobicContact CE3-CB 3.63Å; W216-L341 HydrophobicContact CG-CB 4.32Å; W216-L341 HydrophobicContact CH2-CB 4.27Å; W216-L341 HydrophobicContact CH2-CD1 4.19Å; W216-L341 HydrophobicContact CZ2-CB 4.37Å; W216-L341 HydrophobicContact CZ2-CD1 3.65Å; W216-L341 HydrophobicContact CZ3-CB 3.9Å
217Q92.4Very high95Very high108 Ų10857.6 Ų57.651%0.50529%0.29SS..  trans-80.990179.3-62.5-177.126.300111.6P340 L341Q217-P340 HydrophobicContact CG-CB 3.75Å; Q217-P340 HydrophobicContact CG-CG 3.75Å; Q217-P340 PolarHBondContact NE2-O 3.21Å; Q217-L341 PolarHBondContact N-O 3.25Å
218Y93.2Very high95Very high39 Ų3960.6 Ų60.615%0.15331%0.309CS..  trans-147152.8170.170.1-83.5000112.7I209 T212 Y213 W216 Y222I209-Y218 HydrophobicContact CD1-CE2 4.14Å; T212-Y218 PolarHBondContact OG1-OH 3.4Å; Y213-Y218 WeakPolarHBondContact CA-OH 3.26Å; Y213-Y218 PolarHBondContact N-OH 2.87Å; W216-Y218 HydrophobicContact CB-CD1 3.96Å; W216-Y218 HydrophobicContact CB-CE1 4.19Å; W216-Y218 PolarHBondContact O-N 3.08Å; W216-Y218 VanDerWaalsContact O-N 3.16Å; Y218-Y222 HydrophobicContact CD2-CD2 4.16Å
219P93.6Very high95Very high67 Ų6763.5 Ų63.544%0.43533%0.331SS..  trans-63.1130.3175.4-26.236.1000114.2I221 Y222P219-I221 HydrophobicContact CB-CG2 3.72Å; P219-I221 PolarHBondContact O-N 3.27Å; P219-Y222 HydrophobicContact CG-CE2 4.22Å; P219-Y222 PolarHBondContact O-N 3.27Å
220L93.8Very high95Very high68 Ų6864.4 Ų64.436%0.35633%0.333SS..THydrogen-bonded Turntrans-54.6-29.4178.8-177.759.6000113.7I209 Y213 Y222 G223 L224I209-L220 HydrophobicContact CG2-CD1 4.28Å; Y213-L220 HydrophobicContact CD1-CD1 4.39Å; Y213-L220 HydrophobicContact CD2-CB 4.4Å; Y213-L220 HydrophobicContact CD2-CD1 4Å; Y213-L220 HydrophobicContact CE1-CD1 4.4Å; Y213-L220 HydrophobicContact CE2-CB 3.76Å; Y213-L220 HydrophobicContact CE2-CD1 4.04Å; Y213-L220 HydrophobicContact CE2-CG 4.34Å; Y213-L220 HydrophobicContact CG-CD1 4.2Å; L220-Y222 PolarHBondContact O-N 2.87Å; L220-Y222 VanDerWaalsContact O-N 3.15Å; L220-G223 WeakPolarHBondContact O-CA 3.16Å; L220-G223 PolarHBondContact O-N 3.41Å; L220-L224 HydrophobicContact CG-CD1 4.31Å; L220-L224 HydrophobicContact CG-CG 4.28Å; L220-L224 PolarHBondContact O-N 2.88Å; L220-L224 VanDerWaalsContact O-N 3.08Å
221I96.2Very high95.1Very high91 Ų9160.7 Ų60.747%0.46731%0.313SS..Hα-helixtrans-55.2-30176.6-17559.4000113P219 G223 L224 I225P219-I221 HydrophobicContact CB-CG2 3.72Å; P219-I221 PolarHBondContact O-N 3.27Å; I221-G223 VanDerWaalsContact C-N 3.32Å; I221-G223 PolarHBondContact O-N 2.86Å; I221-L224 HydrophobicContact CD1-CB 4.32Å; I221-L224 PolarHBondContact O-N 3.11Å; I221-I225 HydrophobicContact CD1-CD1 4.26Å; I221-I225 HydrophobicContact CD1-CG1 4.27Å; I221-I225 HydrophobicContact CG1-CD1 4.01Å; I221-I225 HydrophobicContact CG1-CG1 4.48Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 2.93Å
222Y94.5Very high95.2Very high145 Ų14563 Ų6357%0.56933%0.33SS*.Hα-helixtrans-64.2-38.4174.4-60.8-16.6000111.7Y218 P219 L220 I225 L226Y218-Y222 HydrophobicContact CD2-CD2 4.16Å; P219-Y222 HydrophobicContact CG-CE2 4.22Å; P219-Y222 PolarHBondContact O-N 3.27Å; L220-Y222 PolarHBondContact O-N 2.87Å; L220-Y222 VanDerWaalsContact O-N 3.15Å; Y222-I225 PolarHBondContact O-N 3.4Å; Y222-L226 WeakPolarHBondContact O-CB 3.1Å; Y222-L226 PolarHBondContact O-N 3.14Å
223G94.7Very high95.3Very high0 Ų063.9 Ų63.90%034%0.335CS..Hα-helixtrans-69.7-40.8173.100000113L220 I221 I225 L226 I227L220-G223 WeakPolarHBondContact O-CA 3.16Å; L220-G223 PolarHBondContact O-N 3.41Å; I221-G223 VanDerWaalsContact C-N 3.32Å; I221-G223 PolarHBondContact O-N 2.86Å; G223-I225 PolarHBondContact O-N 3.3Å; G223-L226 PolarHBondContact O-N 2.9Å; G223-I227 WeakPolarHBondContact O-CB 3.25Å; G223-I227 WeakPolarHBondContact O-CG1 3.27Å; G223-I227 PolarHBondContact O-N 3.24Å
224L95Very high95.5Very high105 Ų10557.9 Ų57.955%0.5531%0.311SS..Hα-helixtrans-66-20.5176.8-62.4175.8000113.5L220 I221 P228L220-L224 HydrophobicContact CG-CD1 4.31Å; L220-L224 HydrophobicContact CG-CG 4.28Å; L220-L224 PolarHBondContact O-N 2.88Å; L220-L224 VanDerWaalsContact O-N 3.08Å; I221-L224 HydrophobicContact CD1-CB 4.32Å; I221-L224 PolarHBondContact O-N 3.11Å; L224-P228 WeakPolarHBondContact O-CD 3.43Å; L224-P228 WeakPolarHBondContact O-CG 3.43Å
225I97.4Very high95.8Very high94 Ų9456.2 Ų56.248%0.48229%0.291SS..Hα-helixtrans-88.3-48169.4-66.2165.9000110.4I221 Y222 G223 I227 P228 C229I221-I225 HydrophobicContact CD1-CD1 4.26Å; I221-I225 HydrophobicContact CD1-CG1 4.27Å; I221-I225 HydrophobicContact CG1-CD1 4.01Å; I221-I225 HydrophobicContact CG1-CG1 4.48Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 2.93Å; Y222-I225 PolarHBondContact O-N 3.4Å; G223-I225 PolarHBondContact O-N 3.3Å; I225-I227 PolarHBondContact O-N 3.28Å; I225-P228 WeakPolarHBondContact O-CD 3.3Å; I225-P228 WeakPolarHBondContact O-CG 3.48Å; I225-C229 VanDerWaalsContact O-CB 3.29Å; I225-C229 WeakPolarHBondContact O-CB 3.41Å; I225-C229 PolarHBondContact O-N 3.48Å; I225-C229 VanDerWaalsContact O-N 3.14Å; I225-C229 PolarHBondContact O-SG 2.96Å
226L96.7Very high96Very high56 Ų5658.7 Ų58.729%0.29331%0.305SS..Hα-helixtrans-60.2-47.1-175-177.166000112.7M208 Y222 G223 C229 W230M208-L226 HydrophobicContact CE-CD2 3.58Å; Y222-L226 WeakPolarHBondContact O-CB 3.1Å; Y222-L226 PolarHBondContact O-N 3.14Å; G223-L226 PolarHBondContact O-N 2.9Å; L226-C229 PolarHBondContact O-N 3.33Å; L226-W230 HydrophobicContact CD1-CE3 4.03Å; L226-W230 WeakPolarHBondContact O-CB 3.49Å; L226-W230 PolarHBondContact O-N 2.93Å
227I97.5Very high96.2Very high40 Ų4056 Ų5621%0.20530%0.295CS..Hα-helixtrans-58.2-57.9-177-68.7164.7000111.8P205 I206 I209 G223 I225 S231P205-I227 HydrophobicContact CB-CG1 4.25Å; I206-I227 HydrophobicContact CD1-CG2 4.3Å; I206-I227 HydrophobicContact CG1-CD1 4.19Å; I206-I227 HydrophobicContact CG1-CG1 4.19Å; I206-I227 HydrophobicContact CG1-CG2 3.68Å; I209-I227 HydrophobicContact CB-CD1 4.11Å; I209-I227 HydrophobicContact CG1-CD1 3.99Å; I209-I227 HydrophobicContact CG1-CG1 4.23Å; I209-I227 HydrophobicContact CG2-CD1 4.41Å; G223-I227 WeakPolarHBondContact O-CB 3.25Å; G223-I227 WeakPolarHBondContact O-CG1 3.27Å; G223-I227 PolarHBondContact O-N 3.24Å; I225-I227 PolarHBondContact O-N 3.28Å; I227-S231 WeakPolarHBondContact O-CB 3.24Å; I227-S231 PolarHBondContact O-N 2.71Å; I227-S231 PolarHBondContact O-OG 3.16Å
228P97.5Very high96.4Very high63 Ų6350.8 Ų50.841%0.40927%0.271SS..Hα-helixtrans-67.5-36.8-179.825.7-34.2000112.7L224 I225 S232L224-P228 WeakPolarHBondContact O-CD 3.43Å; L224-P228 WeakPolarHBondContact O-CG 3.43Å; I225-P228 WeakPolarHBondContact O-CD 3.3Å; I225-P228 WeakPolarHBondContact O-CG 3.48Å; P228-S232 WeakPolarHBondContact O-CB 3.32Å; P228-S232 PolarHBondContact O-N 2.74Å; P228-S232 PolarHBondContact O-OG 3.18Å
229C97.6Very high96.5Very high80 Ų8049.5 Ų49.554%0.54127%0.266SS..Hα-helixtrans-64.3-48.6178.2-72.70000112I225 L226 L233I225-C229 VanDerWaalsContact O-CB 3.29Å; I225-C229 WeakPolarHBondContact O-CB 3.41Å; I225-C229 PolarHBondContact O-N 3.48Å; I225-C229 VanDerWaalsContact O-N 3.14Å; I225-C229 PolarHBondContact O-SG 2.96Å; L226-C229 PolarHBondContact O-N 3.33Å; C229-L233 WeakPolarHBondContact O-CB 3.38Å; C229-L233 PolarHBondContact O-N 3.46Å
230W97.9Very high96.6Very high38 Ų3846.3 Ų46.314%0.14425%0.246CC..Hα-helixtrans-65.3-52.2177.8-170.4-58.5000111.3L127 F132 P205 L226 S232 L233 V234L127-W230 HydrophobicContact CB-CZ2 4.41Å; L127-W230 HydrophobicContact CD1-CD2 4.38Å; L127-W230 HydrophobicContact CD1-CZ2 4.24Å; L127-W230 HydrophobicContact CD2-CH2 4.06Å; L127-W230 HydrophobicContact CD2-CZ2 3.87Å; L127-W230 HydrophobicContact CG-CZ2 4.4Å; F132-W230 HydrophobicContact CE1-CZ2 4.04Å; F132-W230 AromaticContact CE2-CH2 3.72Å; F132-W230 HydrophobicContact CE2-CH2 3.72Å; F132-W230 AromaticContact CE2-CZ2 3.89Å; F132-W230 HydrophobicContact CE2-CZ2 3.89Å; F132-W230 AromaticContact CZ-CH2 3.52Å; F132-W230 HydrophobicContact CZ-CH2 3.52Å; F132-W230 AromaticContact CZ-CZ2 3.4Å; F132-W230 HydrophobicContact CZ-CZ2 3.4Å; F132-W230 VanDerWaalsContact CZ-CZ2 3.4Å; P205-W230 HydrophobicContact CB-CB 4.13Å; P205-W230 HydrophobicContact CB-CD2 4.48Å; P205-W230 HydrophobicContact CB-CG 4.15Å; P205-W230 HydrophobicContact CG-CB 4.05Å; P205-W230 HydrophobicContact CG-CG 3.9Å; L226-W230 HydrophobicContact CD1-CE3 4.03Å; L226-W230 WeakPolarHBondContact O-CB 3.49Å; L226-W230 PolarHBondContact O-N 2.93Å; W230-S232 VanDerWaalsContact C-N 3.33Å; W230-S232 PolarHBondContact O-N 3.33Å; W230-L233 PolarHBondContact O-N 3.28Å; W230-V234 WeakPolarHBondContact O-CG2 3.17Å; W230-V234 PolarHBondContact O-N 3.39Å
231S97.6Very high96.5Very high4 Ų443.4 Ų43.43%0.02823%0.23CC..Hα-helixtrans-60.4-44.3-176.8-51.70000111G201 I227 V234 C235G201-S231 PolarHBondContact O-OG 3.02Å; I227-S231 WeakPolarHBondContact O-CB 3.24Å; I227-S231 PolarHBondContact O-N 2.71Å; I227-S231 PolarHBondContact O-OG 3.16Å; S231-V234 PolarHBondContact O-N 3.41Å; S231-C235 WeakPolarHBondContact O-CB 3.39Å; S231-C235 PolarHBondContact O-N 2.81Å; S231-C235 PolarHBondContact O-SG 2.85Å
232S97.2Very high96.4Very high59 Ų5939.1 Ų39.141%0.41321%0.208SC..Hα-helixtrans-66.4-40.8178.3-55.20000112.2P228 W230 V234 C235 L236P228-S232 WeakPolarHBondContact O-CB 3.32Å; P228-S232 PolarHBondContact O-N 2.74Å; P228-S232 PolarHBondContact O-OG 3.18Å; W230-S232 VanDerWaalsContact C-N 3.33Å; W230-S232 PolarHBondContact O-N 3.33Å; S232-V234 PolarHBondContact O-N 3.19Å; S232-C235 PolarHBondContact O-N 2.87Å; S232-L236 VanDerWaalsContact O-CB 3.25Å; S232-L236 WeakPolarHBondContact O-CB 3.37Å; S232-L236 WeakPolarHBondContact O-CG 3.46Å; S232-L236 PolarHBondContact O-N 2.75Å
233L97.8Very high96.3Very high32 Ų3232.2 Ų32.217%0.16818%0.181CC..Hα-helixtrans-60.4-45.3178.1176.159.8000111.6L120 F123 L127 C229 W230 S237L120-L233 HydrophobicContact CD1-CD1 3.67Å; L120-L233 HydrophobicContact CD1-CD2 4.4Å; L120-L233 HydrophobicContact CG-CD1 3.74Å; F123-L233 HydrophobicContact CD1-CD2 4.05Å; F123-L233 HydrophobicContact CE1-CD2 4.19Å; L127-L233 HydrophobicContact CD1-CD2 4.14Å; C229-L233 WeakPolarHBondContact O-CB 3.38Å; C229-L233 PolarHBondContact O-N 3.46Å; W230-L233 PolarHBondContact O-N 3.28Å; L233-S237 WeakPolarHBondContact O-CB 3.08Å; L233-S237 PolarHBondContact O-N 3.24Å; L233-S237 VanDerWaalsContact O-N 3.09Å
234V97.7Very high96.3Very high0 Ų032.2 Ų32.20%018%0.181CC..Hα-helixtrans-72.6-41177.5-175.40000111.6G124 L127 H197 W230 S231 S232 L236 S237 R238G124-V234 WeakPolarHBondContact O-CA 3.42Å; L127-V234 HydrophobicContact CB-CG2 3.9Å; L127-V234 HydrophobicContact CD1-CG2 4.12Å; H197-V234 HydrophobicContact CB-CG1 4.21Å; H197-V234 WeakPolarHBondContact O-CG1 3.25Å; W230-V234 WeakPolarHBondContact O-CG2 3.17Å; W230-V234 PolarHBondContact O-N 3.39Å; S231-V234 PolarHBondContact O-N 3.41Å; S232-V234 PolarHBondContact O-N 3.19Å; V234-L236 PolarHBondContact O-N 2.88Å; V234-S237 PolarHBondContact O-N 3.37Å; V234-S237 PolarHBondContact O-OG 3.44Å; V234-R238 WeakPolarHBondContact O-CG 3.21Å; V234-R238 PolarHBondContact O-N 2.86Å
235C97.3Very high96.3Very high17 Ų1727.4 Ų27.412%0.11516%0.156CC..Hα-helixtrans-62.4-44.6177.9-73.70000112.5S231 S232 V249S231-C235 WeakPolarHBondContact O-CB 3.39Å; S231-C235 PolarHBondContact O-N 2.81Å; S231-C235 PolarHBondContact O-SG 2.85Å; S232-C235 PolarHBondContact O-N 2.87Å; C235-V249 HydrophobicContact CB-CG1 3.47Å; C235-V249 VanDerWaalsContact CB-CG1 3.47Å
236L97.1Very high96.3Very high69 Ų6925.2 Ų25.236%0.36115%0.145SC..Hα-helixtrans-73.4-32.1-179.9-66.7172.8000112.4F23 F121 S232 V234 R238 I239 Y240F23-L236 HydrophobicContact CE2-CD2 4.19Å; F23-L236 HydrophobicContact CZ-CB 4.18Å; F23-L236 HydrophobicContact CZ-CD2 3.88Å; F121-L236 HydrophobicContact CD1-CB 4.49Å; F121-L236 HydrophobicContact CE1-CB 3.61Å; F121-L236 HydrophobicContact CZ-CB 4.18Å; S232-L236 VanDerWaalsContact O-CB 3.25Å; S232-L236 WeakPolarHBondContact O-CB 3.37Å; S232-L236 WeakPolarHBondContact O-CG 3.46Å; S232-L236 PolarHBondContact O-N 2.75Å; V234-L236 PolarHBondContact O-N 2.88Å; L236-R238 VanDerWaalsContact C-N 3.29Å; L236-R238 PolarHBondContact O-N 3.44Å; L236-I239 PolarHBondContact O-N 2.86Å; L236-Y240 WeakPolarHBondContact O-CB 3.44Å; L236-Y240 PolarHBondContact O-N 2.66Å
237S96.9Very high96.3Very high0 Ų024 Ų240%014%0.138CC..Hα-helixtrans-60.8-38.5176.275.70000112.1F121 G124 T125 L233 V234 I239 Y240 M241F121-S237 WeakPolarHBondContact O-CB 3.15Å; G124-S237 VanDerWaalsContact C-OG 3.23Å; G124-S237 PolarHBondContact O-OG 3.21Å; T125-S237 WeakPolarHBondContact OG1-CB 3.32Å; T125-S237 PolarHBondContact OG1-OG 2.83Å; L233-S237 WeakPolarHBondContact O-CB 3.08Å; L233-S237 PolarHBondContact O-N 3.24Å; L233-S237 VanDerWaalsContact O-N 3.09Å; V234-S237 PolarHBondContact O-N 3.37Å; V234-S237 PolarHBondContact O-OG 3.44Å; S237-I239 VanDerWaalsContact C-N 3.32Å; S237-I239 PolarHBondContact O-N 2.89Å; S237-Y240 PolarHBondContact O-N 2.89Å; S237-M241 VanDerWaalsContact O-CG 3.31Å; S237-M241 WeakPolarHBondContact O-CG 3.28Å; S237-M241 PolarHBondContact O-N 3.19Å
238R96.6Very high96.3Very high0 Ų022.1 Ų22.10%013%0.129CC..Hα-helixtrans-66.8-31.5179.6-60.2-31.4-82.4138.7-8.9113.6T125 E184 H197 V234 L236 M243 H244 V249T125-R238 VanDerWaalsContact CG2-NH1 3.26Å; E184-R238 IonicContact OE2-CZ 2.89Å; E184-R238 IonicContact OE2-NH1 2.73Å; E184-R238 PolarHBondContact OE2-NH1 2.71Å; E184-R238 IonicContact OE2-NH2 3.77Å; E184-R238 PolarHBondContact OE2-NH2 3.39Å; H197-R238 VanDerWaalsContact CB-CD 3.42Å; H197-R238 HydrophobicContact CB-CG 3.71Å; H197-R238 PolarHBondContact CE1-NH2 2.83Å; H197-R238 VanDerWaalsContact CE1-NH2 3.28Å; H197-R238 PolarHBondContact ND1-NE 2.92Å; H197-R238 PolarHBondContact ND1-NH2 3.33Å; V234-R238 WeakPolarHBondContact O-CG 3.21Å; V234-R238 PolarHBondContact O-N 2.86Å; L236-R238 VanDerWaalsContact C-N 3.29Å; L236-R238 PolarHBondContact O-N 3.44Å; R238-M243 PolarHBondContact O-N 3.49Å; R238-M243 VanDerWaalsContact O-N 3.16Å; R238-H244 HydrophobicContact CB-CB 4.18Å; R238-H244 PolarHBondContact O-N 3.5Å; R238-V249 HydrophobicContact CB-CG2 4.28Å
239I96.2Very high96.3Very high11 Ų1119.6 Ų19.66%0.05611%0.112CC..Hα-helixtrans-75.8-42.6173-52.5170.1000109.4V20 F23 L236 S237 M241 G242 I246 V249V20-I239 HydrophobicContact CB-CG2 4.38Å; V20-I239 HydrophobicContact CG1-CG2 3.98Å; V20-I239 VanDerWaalsContact CG1-O 3.3Å; V20-I239 WeakPolarHBondContact CG1-O 3.17Å; V20-I239 HydrophobicContact CG2-CG2 4.32Å; F23-I239 HydrophobicContact CB-CG2 4.21Å; F23-I239 HydrophobicContact CD1-CB 3.96Å; F23-I239 HydrophobicContact CD1-CG2 3.53Å; F23-I239 HydrophobicContact CE1-CB 4.1Å; F23-I239 HydrophobicContact CE1-CG2 4.17Å; F23-I239 HydrophobicContact CG-CG2 4.07Å; L236-I239 PolarHBondContact O-N 2.86Å; S237-I239 VanDerWaalsContact C-N 3.32Å; S237-I239 PolarHBondContact O-N 2.89Å; I239-M241 PolarHBondContact O-N 2.61Å; I239-G242 PolarHBondContact O-N 2.81Å; I239-I246 HydrophobicContact CD1-CG1 4.27Å; I239-V249 HydrophobicContact CD1-CG2 4.47Å; I239-V249 HydrophobicContact CG1-CG2 4.05Å
240Y95Very high96.2Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-60.5-43.1177.3-178.5-99000113Q24 C27 V29 Y118 F121 L183 L236 S237 G242Q24-Y240 WeakPolarHBondContact CG-O 3.48Å; Q24-Y240 PolarHBondContact NE2-O 2.95Å; C27-Y240 HydrophobicContact CB-CD2 3.57Å; C27-Y240 HydrophobicContact CB-CE2 3.48Å; C27-Y240 VanDerWaalsContact CB-CE2 3.48Å; V29-Y240 HydrophobicContact CG2-CD2 4.25Å; V29-Y240 HydrophobicContact CG2-CE1 4.37Å; V29-Y240 HydrophobicContact CG2-CE2 3.36Å; V29-Y240 VanDerWaalsContact CG2-CZ 3.44Å; V29-Y240 VanDerWaalsContact CG2-OH 3.3Å; V29-Y240 WeakPolarHBondContact CG2-OH 3.5Å; Y118-Y240 WeakPolarHBondContact CA-OH 3.49Å; Y118-Y240 WeakPolarHBondContact CB-OH 3.35Å; Y118-Y240 AromaticContact CD2-CE1 3.98Å; Y118-Y240 HydrophobicContact CD2-CE1 3.98Å; F121-Y240 HydrophobicContact CB-CD1 3.46Å; F121-Y240 VanDerWaalsContact CB-CD1 3.46Å; F121-Y240 HydrophobicContact CB-CE1 4.01Å; F121-Y240 HydrophobicContact CB-CG 3.87Å; F121-Y240 AromaticContact CD2-CD1 3.58Å; F121-Y240 HydrophobicContact CD2-CD1 3.58Å; F121-Y240 AromaticContact CD2-CD2 3.3Å; F121-Y240 HydrophobicContact CD2-CD2 3.3Å; F121-Y240 HydrophobicContact CD2-CE1 4.02Å; F121-Y240 AromaticContact CD2-CE2 3.77Å; F121-Y240 HydrophobicContact CD2-CE2 3.77Å; F121-Y240 AromaticContact CD2-CG 3.18Å; F121-Y240 HydrophobicContact CD2-CG 3.18Å; F121-Y240 AromaticContact CE2-CD2 3.55Å; F121-Y240 HydrophobicContact CE2-CD2 3.55Å; F121-Y240 HydrophobicContact CE2-CE2 4.15Å; F121-Y240 AromaticContact CE2-CG 3.79Å; F121-Y240 HydrophobicContact CE2-CG 3.79Å; F121-Y240 AromaticContact CG-CD1 3.87Å; F121-Y240 HydrophobicContact CG-CD1 3.87Å; F121-Y240 HydrophobicContact CG-CD2 4.29Å; F121-Y240 AromaticContact CG-CG 3.73Å; F121-Y240 HydrophobicContact CG-CG 3.73Å; L183-Y240 HydrophobicContact CD1-CD1 3.96Å; L183-Y240 HydrophobicContact CD1-CE1 3.6Å; L236-Y240 WeakPolarHBondContact O-CB 3.44Å; L236-Y240 PolarHBondContact O-N 2.66Å; S237-Y240 PolarHBondContact O-N 2.89Å; Y240-G242 PolarHBondContact O-N 2.66Å
241M93.1Very high96.2Very high8 Ų818.5 Ų18.54%0.03911%0.107CC..THydrogen-bonded Turntrans-71-7179.2-64.7-57170.800114F121 C122 T125 L183 E184 S237 I239 M243F121-M241 VanDerWaalsContact C-CE 3.43Å; F121-M241 HydrophobicContact CB-CE 4.18Å; F121-M241 VanDerWaalsContact O-CE 3.32Å; F121-M241 WeakPolarHBondContact O-CE 3.45Å; C122-M241 HydrophobicContact CB-CE 4.34Å; T125-M241 WeakPolarHBondContact OG1-CG 3.46Å; L183-M241 HydrophobicContact CB-SD 3.71Å; L183-M241 HydrophobicContact CD1-SD 4.08Å; L183-M241 PolarHBondContact N-O 3.06Å; E184-M241 HydrophobicContact CB-CB 4.33Å; S237-M241 VanDerWaalsContact O-CG 3.31Å; S237-M241 WeakPolarHBondContact O-CG 3.28Å; S237-M241 PolarHBondContact O-N 3.19Å; I239-M241 PolarHBondContact O-N 2.61Å; M241-M243 VanDerWaalsContact C-N 3.3Å; M241-M243 HydrophobicContact CB-CG 3.94Å
242G92.3Very high96.2Very high0 Ų018.3 Ų18.30%011%0.106CC..THydrogen-bonded Turntrans80.47.2-178.300000114.7V180 I239 Y240V180-G242 WeakPolarHBondContact CG1-O 3.19Å; I239-G242 PolarHBondContact O-N 2.81Å; Y240-G242 PolarHBondContact O-N 2.66Å
243M92.1Very high96.2Very high1 Ų119.3 Ų19.31%0.00510%0.103CC..SBendtrans-85.3-23.8-169.3-61-48.8-73.500113.9R174 E184 S192 R238 M241R174-M243 WeakPolarHBondContact CD-O 3.26Å; R174-M243 PolarHBondContact NH1-O 2.9Å; E184-M243 HydrophobicContact CB-CG 4.03Å; E184-M243 HydrophobicContact CB-SD 4.06Å; S192-M243 PolarHBondContact OG-O 3.38Å; R238-M243 PolarHBondContact O-N 3.49Å; R238-M243 VanDerWaalsContact O-N 3.16Å; M241-M243 VanDerWaalsContact C-N 3.3Å; M241-M243 HydrophobicContact CB-CG 3.94Å
244H95.4Very high96.2Very high0 Ų022.8 Ų22.80%012%0.121CC..  trans-141146.1-174.3-72.5-79.6000112R174 S192 S195 R238 D248 V249R174-H244 PolarHBondContact NH1-CD2 3.43Å; R174-H244 PolarHBondContact NH1-CE1 2.93Å; R174-H244 PolarHBondContact NH1-NE2 2.87Å; S192-H244 PolarHBondContact O-CE1 3.36Å; S192-H244 PolarHBondContact O-ND1 3.45Å; S192-H244 PolarHBondContact OG-ND1 2.8Å; S195-H244 VanDerWaalsContact CA-CE1 3.42Å; S195-H244 WeakPolarHBondContact CA-CE1 3.26Å; S195-H244 VanDerWaalsContact CB-CE1 3.44Å; S195-H244 WeakPolarHBondContact CB-CE1 3.45Å; S195-H244 WeakPolarHBondContact CB-ND1 3.37Å; S195-H244 PolarHBondContact OG-CD2 3.1Å; S195-H244 PolarHBondContact OG-CE1 2.88Å; S195-H244 VanDerWaalsContact OG-CE1 3.3Å; S195-H244 PolarHBondContact OG-NE2 2.97Å; R238-H244 HydrophobicContact CB-CB 4.18Å; R238-H244 PolarHBondContact O-N 3.5Å; H244-D248 HydrophobicContact CB-CB 4.14Å; H244-D248 IonicContact ND1-OD2 2.67Å; H244-V249 HydrophobicContact CB-CG2 3.95Å
245S96Very high96.3Very high3 Ų325.6 Ų25.62%0.02113%0.132CC..  trans-73.9166.5167.886.10000111L247 D248 V249S245-L247 PolarHBondContact O-N 3.35Å; S245-L247 WeakPolarHBondContact OG-CB 3.39Å; S245-L247 PolarHBondContact OG-N 2.67Å; S245-D248 PolarHBondContact N-OD2 2.88Å; S245-D248 PolarHBondContact O-N 3.49Å; S245-D248 PolarHBondContact OG-N 3.05Å; S245-D248 PolarHBondContact OG-OD1 3.43Å; S245-D248 PolarHBondContact OG-OD2 3.35Å; S245-V249 PolarHBondContact O-N 3.41Å
246I96.4Very high96.3Very high49 Ų4924.8 Ų24.825%0.25113%0.127SC..Hα-helixtrans-65.3-33.2176-47.2-176.5000109.8L14 R19 I239 I250L14-I246 HydrophobicContact CB-CB 4.42Å; L14-I246 HydrophobicContact CD2-CB 4.09Å; L14-I246 HydrophobicContact CD2-CG2 3.87Å; L14-I246 PolarHBondContact O-N 3.01Å; L14-I246 VanDerWaalsContact O-N 3.15Å; R19-I246 HydrophobicContact CB-CD1 3.88Å; R19-I246 HydrophobicContact CB-CG1 4.5Å; I239-I246 HydrophobicContact CD1-CG1 4.27Å; I246-I250 HydrophobicContact CG2-CD1 3.91Å; I246-I250 WeakPolarHBondContact O-CG1 3.36Å; I246-I250 PolarHBondContact O-N 2.85Å; I246-I250 VanDerWaalsContact O-N 3.07Å
247L96.7Very high96.4Very high29 Ų2924.1 Ų24.115%0.15212%0.123CC..Hα-helixtrans-62.5-45175.4-175.563.2000112.1A11 L14 Q15 M193 S245 V249 I250 A251A11-L247 HydrophobicContact CB-CD1 4.22Å; A11-L247 HydrophobicContact CB-CD2 4.03Å; L14-L247 HydrophobicContact CB-CB 3.89Å; L14-L247 PolarHBondContact O-N 3.31Å; Q15-L247 HydrophobicContact CB-CD2 4.34Å; M193-L247 HydrophobicContact SD-CD2 4.43Å; M193-L247 HydrophobicContact SD-CG 4.24Å; S245-L247 PolarHBondContact O-N 3.35Å; S245-L247 WeakPolarHBondContact OG-CB 3.39Å; S245-L247 PolarHBondContact OG-N 2.67Å; L247-V249 VanDerWaalsContact C-N 3.26Å; L247-V249 PolarHBondContact O-N 3.23Å; L247-I250 PolarHBondContact O-N 3.11Å; L247-A251 VanDerWaalsContact O-CB 3.27Å; L247-A251 WeakPolarHBondContact O-CB 3.42Å; L247-A251 PolarHBondContact O-N 3.48Å
248D97.1Very high96.4Very high1 Ų128.5 Ų28.51%0.00515%0.146CC..Hα-helixtrans-64.1-34.2-176.3-46.5-18.8000112.1S192 M193 S195 H244 S245 G252S192-D248 WeakPolarHBondContact CB-OD2 3.42Å; S192-D248 PolarHBondContact OG-OD2 3.27Å; M193-D248 HydrophobicContact CB-CB 4.32Å; S195-D248 PolarHBondContact N-O 2.86Å; S195-D248 VanDerWaalsContact N-O 3.07Å; H244-D248 HydrophobicContact CB-CB 4.14Å; H244-D248 IonicContact ND1-OD2 2.67Å; S245-D248 PolarHBondContact N-OD2 2.88Å; S245-D248 PolarHBondContact O-N 3.49Å; S245-D248 PolarHBondContact OG-N 3.05Å; S245-D248 PolarHBondContact OG-OD1 3.43Å; S245-D248 PolarHBondContact OG-OD2 3.35Å; D248-G252 PolarHBondContact O-N 3.13Å
249V97.3Very high96.5Very high10 Ų1028.8 Ų28.86%0.06115%0.147CC..Hα-helixtrans-74.4-44.6177.6172.20000110.9A198 C235 R238 I239 H244 S245 L247 A251 G252 F253A198-V249 HydrophobicContact CB-CG1 4.09Å; C235-V249 HydrophobicContact CB-CG1 3.47Å; C235-V249 VanDerWaalsContact CB-CG1 3.47Å; R238-V249 HydrophobicContact CB-CG2 4.28Å; I239-V249 HydrophobicContact CD1-CG2 4.47Å; I239-V249 HydrophobicContact CG1-CG2 4.05Å; H244-V249 HydrophobicContact CB-CG2 3.95Å; S245-V249 PolarHBondContact O-N 3.41Å; L247-V249 VanDerWaalsContact C-N 3.26Å; L247-V249 PolarHBondContact O-N 3.23Å; V249-A251 VanDerWaalsContact C-N 3.35Å; V249-G252 PolarHBondContact O-N 3.41Å; V249-F253 PolarHBondContact O-N 3.44Å
250I97.1Very high96.6Very high69 Ų6928.8 Ų28.835%0.35415%0.147SC..Hα-helixtrans-62.9-42.3173.9-70.5167.2000110.8L14 I246 L247 F253 L254L14-I250 HydrophobicContact CD1-CD1 4Å; L14-I250 HydrophobicContact CD2-CD1 4.34Å; I246-I250 HydrophobicContact CG2-CD1 3.91Å; I246-I250 WeakPolarHBondContact O-CG1 3.36Å; I246-I250 PolarHBondContact O-N 2.85Å; I246-I250 VanDerWaalsContact O-N 3.07Å; L247-I250 PolarHBondContact O-N 3.11Å; I250-F253 PolarHBondContact O-N 3.06Å; I250-L254 HydrophobicContact CG2-CD1 3.84Å; I250-L254 HydrophobicContact CG2-CG 4.4Å; I250-L254 WeakPolarHBondContact O-CB 3.46Å; I250-L254 WeakPolarHBondContact O-CG 3.35Å; I250-L254 PolarHBondContact O-N 2.98Å
251A97.4Very high96.8Very high27 Ų2734.5 Ų34.522%0.22318%0.177CC..Hα-helixtrans-61.4-45.1175.200000111.4M193 L247 V249 Y255M193-A251 HydrophobicContact CG-CB 3.83Å; M193-A251 HydrophobicContact SD-CB 3.79Å; L247-A251 VanDerWaalsContact O-CB 3.27Å; L247-A251 WeakPolarHBondContact O-CB 3.42Å; L247-A251 PolarHBondContact O-N 3.48Å; V249-A251 VanDerWaalsContact C-N 3.35Å; A251-Y255 WeakPolarHBondContact O-CB 3.5Å; A251-Y255 PolarHBondContact O-N 3.3Å
252G97.9Very high97Very high0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-60.6-47.417500000113.2M199 D248 V249 Y255 T256M199-G252 VanDerWaalsContact CG-O 3.31Å; M199-G252 WeakPolarHBondContact CG-O 3.41Å; D248-G252 PolarHBondContact O-N 3.13Å; V249-G252 PolarHBondContact O-N 3.41Å; G252-Y255 PolarHBondContact O-N 3.42Å; G252-T256 PolarHBondContact O-N 2.85Å
253F97.7Very high97.2Very high80 Ų8041.5 Ų41.535%0.35121%0.21SC..Hα-helixtrans-57.2-54.6176.2178-89000111.6T202 V249 I250 Y255 T256 I257T202-F253 HydrophobicContact CG2-CD2 3.54Å; T202-F253 HydrophobicContact CG2-CE2 3.65Å; T202-F253 HydrophobicContact CG2-CG 4.35Å; T202-F253 WeakPolarHBondContact OG1-CD2 3.4Å; V249-F253 PolarHBondContact O-N 3.44Å; I250-F253 PolarHBondContact O-N 3.06Å; F253-Y255 VanDerWaalsContact C-N 3.34Å; F253-Y255 PolarHBondContact O-N 3.46Å; F253-T256 PolarHBondContact O-N 3.31Å; F253-I257 HydrophobicContact CD1-CG1 4.49Å; F253-I257 HydrophobicContact CE1-CG1 4.13Å; F253-I257 HydrophobicContact CZ-CG1 4.39Å; F253-I257 WeakPolarHBondContact O-CG1 3.45Å; F253-I257 PolarHBondContact O-N 3.41Å; F253-I257 VanDerWaalsContact O-N 3.13Å
254L97.7Very high97.4Very high105 Ų10544.7 Ų44.755%0.5522%0.223SC..Hα-helixtrans-64.7-36.9-178.1-67.7174.3000112.4I250 I257 L258I250-L254 HydrophobicContact CG2-CD1 3.84Å; I250-L254 HydrophobicContact CG2-CG 4.4Å; I250-L254 WeakPolarHBondContact O-CB 3.46Å; I250-L254 WeakPolarHBondContact O-CG 3.35Å; I250-L254 PolarHBondContact O-N 2.98Å; L254-I257 PolarHBondContact O-N 3.08Å; L254-L258 PolarHBondContact O-N 3Å
255Y98.2Very high97.5Very high58 Ų5849 Ų4923%0.22725%0.251CS..Hα-helixtrans-69.1-38178.1-172.7-142.6000111.9T166 P194 M199 A251 G252 F253 I257 L258 I259T166-Y255 HydrophobicContact CG2-CE1 4.13Å; T166-Y255 WeakPolarHBondContact OG1-CE1 3.33Å; T166-Y255 PolarHBondContact OG1-OH 2.91Å; T166-Y255 VanDerWaalsContact OG1-OH 3.09Å; P194-Y255 HydrophobicContact CB-CD1 4.45Å; P194-Y255 HydrophobicContact CG-CD1 4.08Å; P194-Y255 HydrophobicContact CG-CE1 4.47Å; M199-Y255 HydrophobicContact CE-CD1 3.41Å; M199-Y255 VanDerWaalsContact CE-CD1 3.41Å; M199-Y255 HydrophobicContact CE-CE1 3.79Å; M199-Y255 HydrophobicContact CE-CG 4.32Å; M199-Y255 HydrophobicContact SD-CD1 3.97Å; A251-Y255 WeakPolarHBondContact O-CB 3.5Å; A251-Y255 PolarHBondContact O-N 3.3Å; G252-Y255 PolarHBondContact O-N 3.42Å; F253-Y255 VanDerWaalsContact C-N 3.34Å; F253-Y255 PolarHBondContact O-N 3.46Å; Y255-I257 PolarHBondContact O-N 3.05Å; Y255-L258 HydrophobicContact CD2-CD2 4.38Å; Y255-L258 WeakPolarHBondContact O-CB 3.23Å; Y255-L258 PolarHBondContact O-N 3.36Å; Y255-I259 HydrophobicContact CD1-CD1 4Å; Y255-I259 HydrophobicContact CD2-CD1 4.19Å; Y255-I259 HydrophobicContact CD2-CG1 4.19Å; Y255-I259 HydrophobicContact CE1-CD1 3.83Å; Y255-I259 HydrophobicContact CE2-CD1 4.02Å; Y255-I259 HydrophobicContact CE2-CG1 3.99Å; Y255-I259 HydrophobicContact CG-CD1 4.16Å; Y255-I259 VanDerWaalsContact O-CG1 3.31Å; Y255-I259 WeakPolarHBondContact O-CG1 3.27Å; Y255-I259 PolarHBondContact O-N 3.45Å
256T98.4Very high97.6Very high0 Ų052.4 Ų52.40%027%0.268CS..Hα-helixtrans-60-42.9169.8-83.50000112.2M199 T202 A203 G252 F253 L258 I259 L260M199-T256 VanDerWaalsContact C-OG1 3.31Å; M199-T256 WeakPolarHBondContact CA-OG1 3.46Å; M199-T256 VanDerWaalsContact CB-OG1 3.28Å; M199-T256 WeakPolarHBondContact CB-OG1 3.33Å; M199-T256 PolarHBondContact O-OG1 2.91Å; T202-T256 HydrophobicContact CG2-CG2 3.71Å; A203-T256 HydrophobicContact CB-CG2 3.66Å; G252-T256 PolarHBondContact O-N 2.85Å; F253-T256 PolarHBondContact O-N 3.31Å; T256-L258 VanDerWaalsContact C-N 3.29Å; T256-L258 PolarHBondContact O-N 2.98Å; T256-I259 PolarHBondContact O-N 3.38Å; T256-L260 HydrophobicContact CG2-CD1 3.88Å; T256-L260 HydrophobicContact CG2-CG 4.26Å; T256-L260 WeakPolarHBondContact O-CB 3.47Å; T256-L260 WeakPolarHBondContact O-CG 3.34Å; T256-L260 PolarHBondContact O-N 3.47Å
257I98.2Very high97.6Very high56 Ų5650.1 Ų50.129%0.28726%0.257SS..Hα-helixtrans-60.7-41.3176.6-61.8-58.4000110.8T202 I206 F253 L254 Y255 L260 I261T202-I257 HydrophobicContact CG2-CD1 4.27Å; I206-I257 HydrophobicContact CD1-CD1 3.57Å; F253-I257 HydrophobicContact CD1-CG1 4.49Å; F253-I257 HydrophobicContact CE1-CG1 4.13Å; F253-I257 HydrophobicContact CZ-CG1 4.39Å; F253-I257 WeakPolarHBondContact O-CG1 3.45Å; F253-I257 PolarHBondContact O-N 3.41Å; F253-I257 VanDerWaalsContact O-N 3.13Å; L254-I257 PolarHBondContact O-N 3.08Å; Y255-I257 PolarHBondContact O-N 3.05Å; I257-L260 PolarHBondContact O-N 3.25Å; I257-I261 HydrophobicContact CG2-CD1 3.83Å; I257-I261 VanDerWaalsContact O-CG1 3.26Å; I257-I261 WeakPolarHBondContact O-CG1 3.33Å; I257-I261 PolarHBondContact O-N 3.2Å
258L98.2Very high97.5Very high91 Ų9152.8 Ų52.848%0.47627%0.271SS..Hα-helixtrans-63.6-45.1174.9-177.762.5000112.6L254 Y255 T256 L260 I261 I262L254-L258 PolarHBondContact O-N 3Å; Y255-L258 HydrophobicContact CD2-CD2 4.38Å; Y255-L258 WeakPolarHBondContact O-CB 3.23Å; Y255-L258 PolarHBondContact O-N 3.36Å; T256-L258 VanDerWaalsContact C-N 3.29Å; T256-L258 PolarHBondContact O-N 2.98Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 2.84Å; L258-I261 PolarHBondContact O-N 2.9Å; L258-I262 HydrophobicContact CD1-CD1 3.87Å; L258-I262 HydrophobicContact CD1-CG1 4.41Å; L258-I262 HydrophobicContact CG-CD1 3.97Å; L258-I262 WeakPolarHBondContact O-CG1 3.26Å; L258-I262 PolarHBondContact O-N 2.9Å; L258-I262 VanDerWaalsContact O-N 3.11Å
259I98.3Very high97.5Very high6 Ų658.4 Ų58.43%0.03130%0.301CS..Hα-helixtrans-61.2-43.9176.7-67.7165.9000110.4V159 L162 M199 Y255 T256 I262 F263V159-I259 HydrophobicContact CG2-CB 4.42Å; V159-I259 HydrophobicContact CG2-CG2 3.71Å; L162-I259 HydrophobicContact CB-CD1 4Å; L162-I259 HydrophobicContact CD1-CD1 4.03Å; L162-I259 HydrophobicContact CD1-CG1 3.99Å; L162-I259 HydrophobicContact CD1-CG2 4.17Å; M199-I259 HydrophobicContact CE-CD1 3.65Å; Y255-I259 HydrophobicContact CD1-CD1 4Å; Y255-I259 HydrophobicContact CD2-CD1 4.19Å; Y255-I259 HydrophobicContact CD2-CG1 4.19Å; Y255-I259 HydrophobicContact CE1-CD1 3.83Å; Y255-I259 HydrophobicContact CE2-CD1 4.02Å; Y255-I259 HydrophobicContact CE2-CG1 3.99Å; Y255-I259 HydrophobicContact CG-CD1 4.16Å; Y255-I259 VanDerWaalsContact O-CG1 3.31Å; Y255-I259 WeakPolarHBondContact O-CG1 3.27Å; Y255-I259 PolarHBondContact O-N 3.45Å; T256-I259 PolarHBondContact O-N 3.38Å; I259-I262 PolarHBondContact O-N 3.38Å; I259-F263 HydrophobicContact CG2-CD2 3.96Å; I259-F263 WeakPolarHBondContact O-CB 3.28Å; I259-F263 WeakPolarHBondContact O-CD2 3.14Å; I259-F263 PolarHBondContact O-N 3.28Å
260L98.4Very high97.5Very high12 Ų1260.4 Ų60.46%0.06331%0.31CS..Hα-helixtrans-62.8-45.4177-72.4173.8000111.7I155 I206 T256 I257 L258 I262 Y264I155-L260 HydrophobicContact CG2-CD2 3.7Å; I206-L260 HydrophobicContact CB-CD1 4.06Å; I206-L260 HydrophobicContact CD1-CD1 4.4Å; I206-L260 HydrophobicContact CG2-CD1 3.75Å; T256-L260 HydrophobicContact CG2-CD1 3.88Å; T256-L260 HydrophobicContact CG2-CG 4.26Å; T256-L260 WeakPolarHBondContact O-CB 3.47Å; T256-L260 WeakPolarHBondContact O-CG 3.34Å; T256-L260 PolarHBondContact O-N 3.47Å; I257-L260 PolarHBondContact O-N 3.25Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 2.84Å; L260-I262 VanDerWaalsContact C-N 3.27Å; L260-I262 PolarHBondContact O-N 3.02Å; L260-Y264 WeakPolarHBondContact O-CB 3.13Å; L260-Y264 PolarHBondContact O-N 2.87Å
261I98Very high97.5Very high119 Ų11957.3 Ų57.361%0.6130%0.295SS*.Hα-helixtrans-58-39.8177.7-72.1165.5000111.7I257 L258I257-I261 HydrophobicContact CG2-CD1 3.83Å; I257-I261 VanDerWaalsContact O-CG1 3.26Å; I257-I261 WeakPolarHBondContact O-CG1 3.33Å; I257-I261 PolarHBondContact O-N 3.2Å; L258-I261 PolarHBondContact O-N 2.9Å
262I97.6Very high97.4Very high93 Ų9360.3 Ų60.348%0.47731%0.307SS..Hα-helixtrans-79.5-47.1-177.8-65.1168.7000112L258 I259 L260L258-I262 HydrophobicContact CD1-CD1 3.87Å; L258-I262 HydrophobicContact CD1-CG1 4.41Å; L258-I262 HydrophobicContact CG-CD1 3.97Å; L258-I262 WeakPolarHBondContact O-CG1 3.26Å; L258-I262 PolarHBondContact O-N 2.9Å; L258-I262 VanDerWaalsContact O-N 3.11Å; I259-I262 PolarHBondContact O-N 3.38Å; L260-I262 VanDerWaalsContact C-N 3.27Å; L260-I262 PolarHBondContact O-N 3.02Å
263F97.1Very high97.3Very high62 Ų6263.6 Ų63.627%0.27232%0.321SS..Hα-helixtrans-100.4-22.3-167.1-70.5-84.9000114.7L158 L162 I259 P265 L266 V267L158-F263 HydrophobicContact CD1-CB 4.07Å; L158-F263 HydrophobicContact CD1-CD1 4.14Å; L158-F263 HydrophobicContact CD1-CG 4.28Å; L158-F263 HydrophobicContact CD2-CD1 4.42Å; L162-F263 HydrophobicContact CD1-CD2 4.46Å; L162-F263 HydrophobicContact CD1-CE2 3.89Å; L162-F263 HydrophobicContact CD1-CZ 4.37Å; I259-F263 HydrophobicContact CG2-CD2 3.96Å; I259-F263 WeakPolarHBondContact O-CB 3.28Å; I259-F263 WeakPolarHBondContact O-CD2 3.14Å; I259-F263 PolarHBondContact O-N 3.28Å; F263-P265 VanDerWaalsContact C-CD 3.49Å; F263-L266 HydrophobicContact CD1-CD1 4.13Å; F263-L266 WeakPolarHBondContact O-CB 3.34Å; F263-L266 PolarHBondContact O-N 3.49Å; F263-V267 PolarHBondContact O-N 3Å
264Y97.4Very high97.3Very high68 Ų6860.5 Ų60.527%0.26731%0.309SS..G310 helixtrans-54.8-43.3177.7-179.9-97.8000113.1I155 L210 L211 L260 L266 V267I155-Y264 HydrophobicContact CD1-CD2 4.08Å; L210-Y264 HydrophobicContact CB-CD2 4.49Å; L210-Y264 HydrophobicContact CB-CE2 3.7Å; L210-Y264 HydrophobicContact CD1-CD2 4.06Å; L210-Y264 HydrophobicContact CD1-CE2 4.08Å; L210-Y264 HydrophobicContact CD1-CG 4.32Å; L210-Y264 PolarHBondContact O-OH 3.36Å; L210-Y264 VanDerWaalsContact O-OH 3.1Å; L211-Y264 HydrophobicContact CD2-CE2 3.81Å; L211-Y264 HydrophobicContact CG-CE2 4.09Å; L260-Y264 WeakPolarHBondContact O-CB 3.13Å; L260-Y264 PolarHBondContact O-N 2.87Å; Y264-L266 PolarHBondContact O-N 3.07Å; Y264-L266 VanDerWaalsContact O-N 3.08Å; Y264-V267 WeakPolarHBondContact O-CB 3.37Å; Y264-V267 PolarHBondContact O-N 2.87Å; Y264-V267 VanDerWaalsContact O-N 3.1Å
265P97.2Very high97.1Very high92 Ų9256 Ų5660%0.59728%0.284SS*.G310 helixtrans-62.5-16.1176.1-22.935.4000114.8F263F263-P265 VanDerWaalsContact C-CD 3.49Å
266L97Very high96.9Very high73 Ų7355.8 Ų55.838%0.38229%0.29SS..G310 helixtrans-93.8-11.4179.2-54.3179.2000112.8F263 Y264 D268 L269 I270F263-L266 HydrophobicContact CD1-CD1 4.13Å; F263-L266 WeakPolarHBondContact O-CB 3.34Å; F263-L266 PolarHBondContact O-N 3.49Å; Y264-L266 PolarHBondContact O-N 3.07Å; Y264-L266 VanDerWaalsContact O-N 3.08Å; L266-D268 PolarHBondContact O-N 2.99Å; L266-L269 WeakPolarHBondContact O-CB 3.27Å; L266-L269 PolarHBondContact O-N 3.49Å; L266-L269 VanDerWaalsContact O-N 3.16Å; L266-I270 HydrophobicContact CB-CD1 4.07Å; L266-I270 VanDerWaalsContact O-CG1 3.27Å; L266-I270 WeakPolarHBondContact O-CG1 3.44Å; L266-I270 PolarHBondContact O-N 2.98Å
267V97.4Very high96.8Very high2 Ų261 Ų611%0.01231%0.31CS..Hα-helixtrans-62.4-39.7-172.6168.90000112.4R151 I154 I155 F263 Y264 I270 D271R151-V267 HydrophobicContact CB-CG1 3.59Å; R151-V267 HydrophobicContact CG-CG1 3.53Å; I154-V267 HydrophobicContact CG2-CG2 4.4Å; I155-V267 HydrophobicContact CD1-CG1 4.46Å; I155-V267 HydrophobicContact CD1-CG2 3.98Å; I155-V267 HydrophobicContact CG1-CG2 3.6Å; F263-V267 PolarHBondContact O-N 3Å; Y264-V267 WeakPolarHBondContact O-CB 3.37Å; Y264-V267 PolarHBondContact O-N 2.87Å; Y264-V267 VanDerWaalsContact O-N 3.1Å; V267-I270 PolarHBondContact O-N 2.94Å; V267-D271 WeakPolarHBondContact O-CB 3.46Å; V267-D271 PolarHBondContact O-N 3.23Å
268D94.6Very high96.6Very high84 Ų8465.6 Ų65.645%0.44933%0.328SS..Hα-helixtrans-68.2-37.7175.6-81.3-47.9000112.9R151 L266 N272R151-D268 IonicContact CZ-OD1 2.75Å; R151-D268 IonicContact NE-OD1 2.83Å; R151-D268 PolarHBondContact NE-OD1 3.36Å; R151-D268 IonicContact NH2-OD1 3.66Å; R151-D268 PolarHBondContact NH2-OD1 2.87Å; L266-D268 PolarHBondContact O-N 2.99Å; D268-N272 WeakPolarHBondContact O-CB 3.27Å; D268-N272 PolarHBondContact O-N 3.01Å
269L96.8Very high96.5Very high120 Ų12066.9 Ų66.963%0.62833%0.327SS*.Hα-helixtrans-65-42.3175.2179.563.1000111L266 F273L266-L269 WeakPolarHBondContact O-CB 3.27Å; L266-L269 PolarHBondContact O-N 3.49Å; L266-L269 VanDerWaalsContact O-N 3.16Å; L269-F273 VanDerWaalsContact O-CB 3.23Å; L269-F273 WeakPolarHBondContact O-CB 3.39Å; L269-F273 PolarHBondContact O-N 2.71Å
270I97.3Very high96.4Very high51 Ų5166.6 Ų66.626%0.26233%0.326SS..Hα-helixtrans-67.2-46.8178.5-65.3162.8000110.8I154 L266 V267 F273 N274I154-I270 HydrophobicContact CD1-CB 4.47Å; I154-I270 HydrophobicContact CD1-CG2 3.92Å; I154-I270 HydrophobicContact CG1-CG2 4.21Å; I154-I270 HydrophobicContact CG2-CB 4.38Å; I154-I270 HydrophobicContact CG2-CD1 4.27Å; I154-I270 HydrophobicContact CG2-CG2 3.93Å; L266-I270 HydrophobicContact CB-CD1 4.07Å; L266-I270 VanDerWaalsContact O-CG1 3.27Å; L266-I270 WeakPolarHBondContact O-CG1 3.44Å; L266-I270 PolarHBondContact O-N 2.98Å; V267-I270 PolarHBondContact O-N 2.94Å; I270-F273 PolarHBondContact O-N 3.19Å; I270-N274 VanDerWaalsContact O-CB 3.27Å; I270-N274 WeakPolarHBondContact O-CB 3.26Å; I270-N274 PolarHBondContact O-N 3.37Å; I270-N274 PolarHBondContact O-ND2 2.95Å; I270-N274 PolarHBondContact O-OD1 2.94Å
271D96.4Very high96.4Very high4 Ų467.6 Ų67.62%0.02133%0.333CS..Hα-helixtrans-64.4-43.5177.2-176.979.9000112.2R150 R151 I154 V267 N274 Q275R150-D271 WeakPolarHBondContact CB-OD1 3.29Å; R150-D271 IonicContact CZ-OD1 3.57Å; R150-D271 IonicContact CZ-OD2 3.66Å; R150-D271 IonicContact NE-OD1 3.07Å; R150-D271 PolarHBondContact NE-OD1 2.9Å; R150-D271 IonicContact NE-OD2 3.29Å; R150-D271 IonicContact NH2-OD1 3.56Å; R150-D271 PolarHBondContact NH2-OD1 3.29Å; R150-D271 IonicContact NH2-OD2 3.44Å; R150-D271 PolarHBondContact NH2-OD2 3.38Å; R151-D271 HydrophobicContact CG-CB 4.33Å; R151-D271 IonicContact CZ-OD2 2.82Å; R151-D271 VanDerWaalsContact CZ-OD2 3.27Å; R151-D271 IonicContact NH1-OD1 2.73Å; R151-D271 IonicContact NH1-OD2 2.77Å; R151-D271 PolarHBondContact NH1-OD2 2.99Å; R151-D271 IonicContact NH2-OD2 3.45Å; R151-D271 PolarHBondContact NH2-OD2 3.42Å; R151-D271 VanDerWaalsContact NH2-OD2 3.07Å; I154-D271 HydrophobicContact CD1-CB 3.89Å; V267-D271 WeakPolarHBondContact O-CB 3.46Å; V267-D271 PolarHBondContact O-N 3.23Å; D271-N274 PolarHBondContact O-N 2.84Å; D271-Q275 WeakPolarHBondContact O-CB 3.18Å; D271-Q275 WeakPolarHBondContact O-CG 3.35Å; D271-Q275 PolarHBondContact O-N 2.81Å; D271-Q275 PolarHBondContact OD2-NE2 3.38Å
272N95.1Very high96.3Very high90 Ų9068 Ų6848%0.48134%0.336SS..Hα-helixtrans-63.1-44.4177.6-178-92.3000111.8D268 Q275 T276D268-N272 WeakPolarHBondContact O-CB 3.27Å; D268-N272 PolarHBondContact O-N 3.01Å; N272-Q275 PolarHBondContact O-N 3.41Å; N272-T276 WeakPolarHBondContact O-CB 3.4Å; N272-T276 WeakPolarHBondContact O-CG2 3.49Å; N272-T276 PolarHBondContact O-N 2.86Å; N272-T276 PolarHBondContact O-OG1 3.38Å
273F97Very high96.3Very high69 Ų6967.2 Ų67.230%0.30333%0.332SS..Hα-helixtrans-60-49.7174.1174.5-94.5000111.5L269 I270 Q275 T276 Y277 A280 I283L269-F273 VanDerWaalsContact O-CB 3.23Å; L269-F273 WeakPolarHBondContact O-CB 3.39Å; L269-F273 PolarHBondContact O-N 2.71Å; I270-F273 PolarHBondContact O-N 3.19Å; F273-Q275 VanDerWaalsContact C-N 3.33Å; F273-Q275 PolarHBondContact O-N 2.97Å; F273-T276 PolarHBondContact O-N 3.37Å; F273-Y277 HydrophobicContact CD2-CD1 4.26Å; F273-Y277 HydrophobicContact CD2-CG 4.11Å; F273-Y277 AromaticContact CE2-CD1 3.41Å; F273-Y277 HydrophobicContact CE2-CD1 3.41Å; F273-Y277 VanDerWaalsContact CE2-CD1 3.41Å; F273-Y277 HydrophobicContact CE2-CE1 4.1Å; F273-Y277 AromaticContact CE2-CG 3.68Å; F273-Y277 HydrophobicContact CE2-CG 3.68Å; F273-Y277 AromaticContact CZ-CD1 3.67Å; F273-Y277 HydrophobicContact CZ-CD1 3.67Å; F273-Y277 HydrophobicContact CZ-CE1 4.32Å; F273-Y277 HydrophobicContact CZ-CG 4.33Å; F273-Y277 WeakPolarHBondContact O-CB 3.45Å; F273-Y277 PolarHBondContact O-N 3.21Å; F273-A280 HydrophobicContact CD1-CB 4.44Å; F273-A280 HydrophobicContact CE1-CB 4.12Å; F273-I283 HydrophobicContact CE1-CB 4.45Å; F273-I283 HydrophobicContact CE1-CG2 4.1Å; F273-I283 HydrophobicContact CZ-CB 4.28Å; F273-I283 HydrophobicContact CZ-CD1 3.88Å; F273-I283 HydrophobicContact CZ-CG2 4.01Å
274N96.5Very high96.3Very high16 Ų1664.4 Ų64.49%0.08632%0.32CS..Hα-helixtrans-58.4-43.7-179.5-72.7-16.7000111.8I270 D271 I284 A319 H323I270-N274 VanDerWaalsContact O-CB 3.27Å; I270-N274 WeakPolarHBondContact O-CB 3.26Å; I270-N274 PolarHBondContact O-N 3.37Å; I270-N274 PolarHBondContact O-ND2 2.95Å; I270-N274 PolarHBondContact O-OD1 2.94Å; D271-N274 PolarHBondContact O-N 2.84Å; N274-I284 HydrophobicContact CB-CD1 4.13Å; N274-I284 WeakPolarHBondContact OD1-CD1 3.5Å; N274-I284 WeakPolarHBondContact OD1-CG1 3.38Å; N274-A319 HydrophobicContact CB-CB 4.3Å; N274-H323 WeakPolarHBondContact O-CB 3.19Å; N274-H323 PolarHBondContact O-ND1 2.85Å
275Q94.5Very high96.3Very high9 Ų964.7 Ų64.74%0.04233%0.325CS..Hα-helixtrans-71.8-49.7178.1-70.4-165.3100.200112.8D271 N272 F273 H323 Y326 D333D271-Q275 WeakPolarHBondContact O-CB 3.18Å; D271-Q275 WeakPolarHBondContact O-CG 3.35Å; D271-Q275 PolarHBondContact O-N 2.81Å; D271-Q275 PolarHBondContact OD2-NE2 3.38Å; N272-Q275 PolarHBondContact O-N 3.41Å; F273-Q275 VanDerWaalsContact C-N 3.33Å; F273-Q275 PolarHBondContact O-N 2.97Å; Q275-H323 PolarHBondContact O-ND1 3.06Å; Q275-Y326 HydrophobicContact CB-CD2 4.24Å; Q275-Y326 HydrophobicContact CB-CG 4.1Å; Q275-Y326 WeakPolarHBondContact O-CD1 3.28Å; Q275-D333 PolarHBondContact NE2-OD2 3.25Å
276T94.2Very high96.2Very high55 Ų5561.6 Ų61.634%0.33731%0.31SS..Hα-helixtrans-97.5-26.3-161.266.30000115.2N272 F273 K278 Y326N272-T276 WeakPolarHBondContact O-CB 3.4Å; N272-T276 WeakPolarHBondContact O-CG2 3.49Å; N272-T276 PolarHBondContact O-N 2.86Å; N272-T276 PolarHBondContact O-OG1 3.38Å; F273-T276 PolarHBondContact O-N 3.37Å; T276-K278 PolarHBondContact O-N 3.09Å; T276-Y326 HydrophobicContact CG2-CE1 4.02Å; T276-Y326 HydrophobicContact CG2-CE2 4.44Å
277Y96Very high96.2Very high108 Ų10862.3 Ų62.342%0.42431%0.314SS..  trans-80.9121.9-171.3-177.1-110.1000111.7F273 Y279 A280 I283 H323F273-Y277 HydrophobicContact CD2-CD1 4.26Å; F273-Y277 HydrophobicContact CD2-CG 4.11Å; F273-Y277 AromaticContact CE2-CD1 3.41Å; F273-Y277 HydrophobicContact CE2-CD1 3.41Å; F273-Y277 VanDerWaalsContact CE2-CD1 3.41Å; F273-Y277 HydrophobicContact CE2-CE1 4.1Å; F273-Y277 AromaticContact CE2-CG 3.68Å; F273-Y277 HydrophobicContact CE2-CG 3.68Å; F273-Y277 AromaticContact CZ-CD1 3.67Å; F273-Y277 HydrophobicContact CZ-CD1 3.67Å; F273-Y277 HydrophobicContact CZ-CE1 4.32Å; F273-Y277 HydrophobicContact CZ-CG 4.33Å; F273-Y277 WeakPolarHBondContact O-CB 3.45Å; F273-Y277 PolarHBondContact O-N 3.21Å; Y277-Y279 HydrophobicContact CE1-CD2 4.33Å; Y277-Y279 PolarHBondContact O-N 2.93Å; Y277-A280 HydrophobicContact CD1-CB 4.49Å; Y277-A280 WeakPolarHBondContact O-CB 3.43Å; Y277-A280 PolarHBondContact O-N 3.2Å; Y277-I283 HydrophobicContact CD1-CD1 4.26Å; Y277-I283 HydrophobicContact CE1-CD1 3.75Å; Y277-H323 PolarHBondContact O-CE1 3.44Å
278K94.8Very high96.2Very high153 Ų15363.4 Ų63.467%0.66532%0.319SS*.THydrogen-bonded Turntrans-49.3-31.3-172.7-177-179.9177.5-171.40115.8T276T276-K278 PolarHBondContact O-N 3.09Å
279Y95.8Very high96.2Very high118 Ų11863 Ų6346%0.46332%0.316SS..THydrogen-bonded Turntrans-10812.6-179.6-57.4-78.6000113.2Y277 L282 I283Y277-Y279 HydrophobicContact CE1-CD2 4.33Å; Y277-Y279 PolarHBondContact O-N 2.93Å; Y279-L282 HydrophobicContact CD1-CD1 4.38Å; Y279-L282 PolarHBondContact O-N 2.86Å; Y279-I283 PolarHBondContact O-N 3.11Å
280A96.2Very high96.1Very high0 Ų062.7 Ų62.70%031%0.314CS..Hα-helixtrans-53.2-45.1179.700000113F273 Y277 L282 I283 I284F273-A280 HydrophobicContact CD1-CB 4.44Å; F273-A280 HydrophobicContact CE1-CB 4.12Å; Y277-A280 HydrophobicContact CD1-CB 4.49Å; Y277-A280 WeakPolarHBondContact O-CB 3.43Å; Y277-A280 PolarHBondContact O-N 3.2Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 3.31Å; A280-I283 CarbonylContact O-C 3.57Å; A280-I283 PolarHBondContact O-N 3.22Å; A280-I284 HydrophobicContact CB-CD1 3.99Å; A280-I284 WeakPolarHBondContact O-CB 3.35Å; A280-I284 WeakPolarHBondContact O-CD1 3.2Å; A280-I284 WeakPolarHBondContact O-CG1 3.43Å; A280-I284 PolarHBondContact O-N 3.43Å
281P96.8Very high96Very high33 Ų3362.6 Ų62.621%0.21431%0.314CS..Hα-helixtrans-57.4-38.8-179.3-27.936.6000114.2I285 H323P281-I285 WeakPolarHBondContact O-CB 3.31Å; P281-I285 WeakPolarHBondContact O-CD1 3.47Å; P281-I285 VanDerWaalsContact O-CG1 3.23Å; P281-I285 WeakPolarHBondContact O-CG1 3.35Å; P281-I285 PolarHBondContact O-N 2.98Å; P281-H323 HydrophobicContact CG-CB 4.24Å; P281-H323 WeakPolarHBondContact CG-CD2 3.3Å
282L96.6Very high95.7Very high127 Ų12762.6 Ų62.667%0.66532%0.315SS*.Hα-helixtrans-68.1-40.7177.3-63.4177.5000111.5Y279 A280 G286Y279-L282 HydrophobicContact CD1-CD1 4.38Å; Y279-L282 PolarHBondContact O-N 2.86Å; A280-L282 VanDerWaalsContact C-N 3.3Å; A280-L282 PolarHBondContact O-N 3.31Å; L282-G286 PolarHBondContact O-N 2.87Å
283I97.3Very high95.5Very high77 Ų7763.6 Ų63.640%0.39532%0.319SS..Hα-helixtrans-72.2-40.9179.6-65.8169.3000110.9F273 Y277 Y279 A280 L287F273-I283 HydrophobicContact CE1-CB 4.45Å; F273-I283 HydrophobicContact CE1-CG2 4.1Å; F273-I283 HydrophobicContact CZ-CB 4.28Å; F273-I283 HydrophobicContact CZ-CD1 3.88Å; F273-I283 HydrophobicContact CZ-CG2 4.01Å; Y277-I283 HydrophobicContact CD1-CD1 4.26Å; Y277-I283 HydrophobicContact CE1-CD1 3.75Å; Y279-I283 PolarHBondContact O-N 3.11Å; A280-I283 CarbonylContact O-C 3.57Å; A280-I283 PolarHBondContact O-N 3.22Å; I283-L287 WeakPolarHBondContact O-CB 3.32Å; I283-L287 PolarHBondContact O-N 3.45Å
284I97.2Very high95.1Very high4 Ų465.7 Ų65.72%0.02133%0.328CS..Hα-helixtrans-57.8-54.6174-70.7160.4000109.7N274 A280 L287 H288 A316 A319N274-I284 HydrophobicContact CB-CD1 4.13Å; N274-I284 WeakPolarHBondContact OD1-CD1 3.5Å; N274-I284 WeakPolarHBondContact OD1-CG1 3.38Å; A280-I284 HydrophobicContact CB-CD1 3.99Å; A280-I284 WeakPolarHBondContact O-CB 3.35Å; A280-I284 WeakPolarHBondContact O-CD1 3.2Å; A280-I284 WeakPolarHBondContact O-CG1 3.43Å; A280-I284 PolarHBondContact O-N 3.43Å; I284-L287 PolarHBondContact O-N 2.85Å; I284-H288 WeakPolarHBondContact O-CB 3.42Å; I284-H288 PolarHBondContact O-N 3.05Å; I284-H288 PolarHBondContact O-ND1 3.33Å; I284-A316 HydrophobicContact CG2-CB 3.88Å; I284-A319 HydrophobicContact CD1-CB 3.8Å; I284-A319 HydrophobicContact CG1-CB 4.38Å; I284-A319 HydrophobicContact CG2-CB 4.06Å
285I97.1Very high94.6Very high73 Ų7364.9 Ų64.937%0.37432%0.324SS..Hα-helixtrans-64.5-45-178.2-68.2166.9000110.5P281 H288 L289 Y406P281-I285 WeakPolarHBondContact O-CB 3.31Å; P281-I285 WeakPolarHBondContact O-CD1 3.47Å; P281-I285 VanDerWaalsContact O-CG1 3.23Å; P281-I285 WeakPolarHBondContact O-CG1 3.35Å; P281-I285 PolarHBondContact O-N 2.98Å; I285-H288 PolarHBondContact O-N 3.36Å; I285-L289 HydrophobicContact CG2-CD1 3.82Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CB 3.5Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 3.07Å; I285-Y406 PolarHBondContact O-OH 3.44Å
286G96.7Very high93.9Very high28 Ų2866.4 Ų66.429%0.28933%0.33SS..Hα-helixtrans-59.7-47.117700000112.7L282 L289 I290L282-G286 PolarHBondContact O-N 2.87Å; G286-L289 PolarHBondContact O-N 3.32Å; G286-I290 WeakPolarHBondContact O-CB 3.45Å; G286-I290 WeakPolarHBondContact O-CD1 3.28Å; G286-I290 VanDerWaalsContact O-CG1 3.23Å; G286-I290 WeakPolarHBondContact O-CG1 3.24Å; G286-I290 PolarHBondContact O-N 3.35Å
287L96.7Very high93.3Very high88 Ų8868.7 Ų68.746%0.46135%0.345SS..Hα-helixtrans-61-50.3177.7177.561.8000111.7I283 I284 L289 I290 L291I283-L287 WeakPolarHBondContact O-CB 3.32Å; I283-L287 PolarHBondContact O-N 3.45Å; I284-L287 PolarHBondContact O-N 2.85Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.37Å; L287-I290 PolarHBondContact O-N 2.93Å; L287-L291 HydrophobicContact CD1-CD1 4.05Å; L287-L291 HydrophobicContact CD1-CG 4.07Å; L287-L291 HydrophobicContact CG-CD1 3.95Å; L287-L291 HydrophobicContact CG-CG 4.37Å; L287-L291 WeakPolarHBondContact O-CB 3.4Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.22Å; L287-L291 PolarHBondContact O-N 3.19Å
288H96.8Very high92.5Very high24 Ų2465 Ų6511%0.11133%0.332CS..Hα-helixtrans-67-32-178.1-72.477000112.3I284 I285 G292 L312 A316 Y406I284-H288 WeakPolarHBondContact O-CB 3.42Å; I284-H288 PolarHBondContact O-N 3.05Å; I284-H288 PolarHBondContact O-ND1 3.33Å; I285-H288 PolarHBondContact O-N 3.36Å; H288-G292 PolarHBondContact O-N 3.35Å; H288-L312 HydrophobicContact CB-CB 4.36Å; H288-L312 PolarHBondContact CD2-O 2.94Å; H288-A316 HydrophobicContact CB-CB 3.99Å; H288-Y406 HydrophobicContact CB-CE2 4.06Å; H288-Y406 WeakPolarHBondContact CB-OH 3.32Å
289L94.5Very high91.1Very high77 Ų7758.2 Ų58.240%0.40330%0.303SS..Hα-helixtrans-67.9-43.5170.5-72173000112.4I285 G286 L287 G292 I293 Y406I285-L289 HydrophobicContact CG2-CD1 3.82Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CB 3.5Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 3.07Å; G286-L289 PolarHBondContact O-N 3.32Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.37Å; L289-G292 PolarHBondContact O-N 3.06Å; L289-I293 VanDerWaalsContact O-CG1 3.28Å; L289-I293 WeakPolarHBondContact O-CG1 3.47Å; L289-I293 PolarHBondContact O-N 3.13Å; L289-Y406 HydrophobicContact CD2-CD1 3.94Å; L289-Y406 HydrophobicContact CD2-CD2 4.49Å; L289-Y406 HydrophobicContact CD2-CE1 3.59Å; L289-Y406 HydrophobicContact CD2-CE2 4.18Å; L289-Y406 HydrophobicContact CD2-CG 4.38Å; L289-Y406 HydrophobicContact CG-CE1 4.04Å
290I94.8Very high89.5Confident112 Ų11257.3 Ų57.357%0.57431%0.31SS*.Hα-helixtrans-62.6-44.3176.5-70.8164.1000110.9G286 L287 G292 I293 F294G286-I290 WeakPolarHBondContact O-CB 3.45Å; G286-I290 WeakPolarHBondContact O-CD1 3.28Å; G286-I290 VanDerWaalsContact O-CG1 3.23Å; G286-I290 WeakPolarHBondContact O-CG1 3.24Å; G286-I290 PolarHBondContact O-N 3.35Å; L287-I290 PolarHBondContact O-N 2.93Å; I290-G292 VanDerWaalsContact C-N 3.34Å; I290-G292 PolarHBondContact O-N 3.3Å; I290-I293 PolarHBondContact O-N 2.95Å; I290-F294 WeakPolarHBondContact O-CB 3.3Å; I290-F294 PolarHBondContact O-N 3.17Å
291L94.3Very high87.9Confident49 Ų4963.2 Ų63.226%0.25733%0.332SS..Hα-helixtrans-62-40.7175.9-70.6175.3000111.9Y161 L287 S295 L312Y161-L291 HydrophobicContact CE1-CB 4.38Å; Y161-L291 HydrophobicContact CE1-CD2 3.82Å; Y161-L291 HydrophobicContact CE1-CG 4.49Å; Y161-L291 HydrophobicContact CE2-CB 3.83Å; Y161-L291 VanDerWaalsContact CE2-O 3.31Å; Y161-L291 WeakPolarHBondContact CE2-O 3.39Å; Y161-L291 WeakPolarHBondContact OH-CA 3.35Å; Y161-L291 WeakPolarHBondContact OH-CD2 3.04Å; Y161-L291 PolarHBondContact OH-O 2.73Å; L287-L291 HydrophobicContact CD1-CD1 4.05Å; L287-L291 HydrophobicContact CD1-CG 4.07Å; L287-L291 HydrophobicContact CG-CD1 3.95Å; L287-L291 HydrophobicContact CG-CG 4.37Å; L287-L291 WeakPolarHBondContact O-CB 3.4Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.22Å; L287-L291 PolarHBondContact O-N 3.19Å; L291-S295 PolarHBondContact O-N 2.93Å; L291-L312 HydrophobicContact CB-CD1 4.25Å; L291-L312 HydrophobicContact CB-CD2 4.23Å; L291-L312 HydrophobicContact CD1-CD2 4.36Å
292G91.8Very high86.6Confident4 Ų461.9 Ų61.94%0.04132%0.324CS..Hα-helixtrans-60.4-57.3173.500000111.3H288 L289 I290 F294 S295 F296H288-G292 PolarHBondContact O-N 3.35Å; L289-G292 PolarHBondContact O-N 3.06Å; I290-G292 VanDerWaalsContact C-N 3.34Å; I290-G292 PolarHBondContact O-N 3.3Å; G292-F294 VanDerWaalsContact C-N 3.26Å; G292-F294 PolarHBondContact O-N 2.98Å; G292-S295 WeakPolarHBondContact O-CB 3.44Å; G292-S295 PolarHBondContact O-N 2.97Å; G292-F296 WeakPolarHBondContact O-CD2 3.32Å; G292-F296 WeakPolarHBondContact O-CE2 3.4Å; G292-F296 WeakPolarHBondContact O-CG 3.46Å; G292-F296 PolarHBondContact O-N 3.17Å
293I89.1Confident85.5Confident112 Ų11256.1 Ų56.157%0.57429%0.294SS*.Hα-helixtrans-51.6-46.4177.8-68.6163.9000111L289 I290 F296 T297L289-I293 VanDerWaalsContact O-CG1 3.28Å; L289-I293 WeakPolarHBondContact O-CG1 3.47Å; L289-I293 PolarHBondContact O-N 3.13Å; I290-I293 PolarHBondContact O-N 2.95Å; I293-F296 PolarHBondContact O-N 3.38Å; I293-T297 PolarHBondContact O-N 3.4Å
294F89.5Confident84.6Confident112 Ų11252.5 Ų52.549%0.49128%0.275SS..Hα-helixtrans-58.2-50.5176.1178.6-97.3000112.1I290 G292 F296 T297 L298I290-F294 WeakPolarHBondContact O-CB 3.3Å; I290-F294 PolarHBondContact O-N 3.17Å; G292-F294 VanDerWaalsContact C-N 3.26Å; G292-F294 PolarHBondContact O-N 2.98Å; F294-F296 PolarHBondContact O-N 3.21Å; F294-T297 PolarHBondContact O-N 2.9Å; F294-T297 PolarHBondContact O-OG1 3.16Å; F294-L298 HydrophobicContact CD1-CD1 4.43Å; F294-L298 HydrophobicContact CE1-CD1 4.02Å; F294-L298 HydrophobicContact CE1-CD2 4.35Å; F294-L298 HydrophobicContact CE1-CG 4.45Å; F294-L298 HydrophobicContact CZ-CD2 4.27Å
295S86.6Confident84Confident0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-57-39.1177.4-165.20000111.9C165 L291 G292 T297 L298C165-S295 PolarHBondContact SG-OG 3.18Å; L291-S295 PolarHBondContact O-N 2.93Å; G292-S295 WeakPolarHBondContact O-CB 3.44Å; G292-S295 PolarHBondContact O-N 2.97Å; S295-T297 PolarHBondContact O-N 2.83Å; S295-L298 WeakPolarHBondContact O-CB 3.23Å; S295-L298 PolarHBondContact O-N 2.82Å
296F80Confident83.5Confident40 Ų4050 Ų5018%0.17526%0.261CS..Hα-helixtrans-71.3-13.7-179.5-48.2-38000113.6G292 I293 F294 R305 A309 L402G292-F296 WeakPolarHBondContact O-CD2 3.32Å; G292-F296 WeakPolarHBondContact O-CE2 3.4Å; G292-F296 WeakPolarHBondContact O-CG 3.46Å; G292-F296 PolarHBondContact O-N 3.17Å; I293-F296 PolarHBondContact O-N 3.38Å; F294-F296 PolarHBondContact O-N 3.21Å; F296-R305 HydrophobicContact CD1-CB 4.02Å; F296-R305 HydrophobicContact CD1-CG 4.19Å; F296-R305 HydrophobicContact CE1-CB 4.13Å; F296-R305 WeakPolarHBondContact CE1-O 3.38Å; F296-A309 HydrophobicContact CZ-CB 4.08Å; F296-L402 HydrophobicContact CD1-CD1 4.08Å; F296-L402 HydrophobicContact CD1-CD2 4.43Å; F296-L402 HydrophobicContact CD2-CD1 3.58Å; F296-L402 HydrophobicContact CE1-CD1 4.13Å; F296-L402 HydrophobicContact CE1-CD2 3.88Å; F296-L402 HydrophobicContact CE2-CB 4.37Å; F296-L402 HydrophobicContact CE2-CD1 3.63Å; F296-L402 HydrophobicContact CE2-CD2 4.44Å; F296-L402 HydrophobicContact CE2-CG 4.37Å; F296-L402 HydrophobicContact CG-CD1 3.85Å; F296-L402 HydrophobicContact CZ-CB 4.45Å; F296-L402 HydrophobicContact CZ-CD1 3.92Å; F296-L402 HydrophobicContact CZ-CD2 3.89Å; F296-L402 HydrophobicContact CZ-CG 4.31Å
297T80.8Confident83.2Confident104 Ų10449.8 Ų49.864%0.63825%0.253SS*.THydrogen-bonded Turntrans-80.2-14.9168.869.30000114I293 F294 S295I293-T297 PolarHBondContact O-N 3.4Å; F294-T297 PolarHBondContact O-N 2.9Å; F294-T297 PolarHBondContact O-OG1 3.16Å; S295-T297 PolarHBondContact O-N 2.83Å
298L78.7Confident83Confident30 Ų3045.6 Ų45.616%0.15723%0.231CC..SBendtrans-84.8-20.7-174-59.7177000114.1C165 D168 I169 R171 F294 S295C165-L298 HydrophobicContact CB-CD1 3.88Å; D168-L298 HydrophobicContact CB-CB 3.86Å; I169-L298 HydrophobicContact CD1-CD1 4.27Å; I169-L298 HydrophobicContact CG1-CD1 4.23Å; I169-L298 HydrophobicContact CG1-CD2 4.32Å; R171-L298 PolarHBondContact NH2-O 2.74Å; F294-L298 HydrophobicContact CD1-CD1 4.43Å; F294-L298 HydrophobicContact CE1-CD1 4.02Å; F294-L298 HydrophobicContact CE1-CD2 4.35Å; F294-L298 HydrophobicContact CE1-CG 4.45Å; F294-L298 HydrophobicContact CZ-CD2 4.27Å; S295-L298 WeakPolarHBondContact O-CB 3.23Å; S295-L298 PolarHBondContact O-N 2.82Å
299D66.7Low82.9Confident10 Ų1044.6 Ų44.65%0.05323%0.227CC..  trans-120.4163.4-164.417943.1000113.6D168 S302 R305D168-D299 HydrophobicContact CB-CB 4.12Å; D299-S302 PolarHBondContact OD2-N 2.91Å; D299-S302 PolarHBondContact OD2-OG 3.08Å; D299-R305 PolarHBondContact O-NH2 2.96Å; D299-R305 IonicContact OD2-CZ 3.9Å; D299-R305 IonicContact OD2-NE 2.92Å; D299-R305 PolarHBondContact OD2-NE 2.93Å
300T60.5Low83Confident100 Ų10041.9 Ų41.961%0.61321%0.212SC*.SBendtrans-114.2102.7163.748.10000109.8
301W62.8Low83Confident124 Ų12437 Ų3747%0.4719%0.187SC..SBendtrans18.899-175.9-167.889.5000116.3
302S69.9Low83.2Confident5 Ų534.7 Ų34.74%0.03518%0.175CC..  trans-136.6170.516470.10000111.4D299 S304 R305D299-S302 PolarHBondContact OD2-N 2.91Å; D299-S302 PolarHBondContact OD2-OG 3.08Å; S302-S304 PolarHBondContact O-N 2.92Å; S302-S304 PolarHBondContact OG-OG 2.83Å; S302-R305 PolarHBondContact O-N 3.35Å
303T73.1Confident83.5Confident5 Ų534.5 Ų34.53%0.03117%0.173CC..THydrogen-bonded Turntrans-64.7-18.6178.952.10000113.5L102 E190 R305 G306 D307L102-T303 HydrophobicContact CD1-CG2 4.19Å; E190-T303 WeakPolarHBondContact CG-OG1 3.42Å; E190-T303 PolarHBondContact OE1-OG1 3.07Å; T303-R305 PolarHBondContact O-N 3.48Å; T303-R305 VanDerWaalsContact O-N 3.14Å; T303-G306 PolarHBondContact O-N 3.48Å; T303-D307 PolarHBondContact O-N 3.45Å
304S79Confident83.9Confident1 Ų130 Ų301%0.00715%0.152CC..Hα-helixtrans-56.4-33.2-179.874.60000112.1D168 S302 T308D168-S304 PolarHBondContact OD1-OG 3.23Å; S302-S304 PolarHBondContact O-N 2.92Å; S302-S304 PolarHBondContact OG-OG 2.83Å; S304-T308 VanDerWaalsContact O-CB 3.24Å; S304-T308 WeakPolarHBondContact O-CB 3.4Å; S304-T308 PolarHBondContact O-N 2.88Å; S304-T308 PolarHBondContact O-OG1 3.43Å
305R84.2Confident84.3Confident24 Ų2425 Ų259%0.09113%0.131CC..Hα-helixtrans-64.9-48.1-179.3-60.2171.5165-142.2-9.9112.2F296 D299 S302 T303 T308 A309 M398 L402F296-R305 HydrophobicContact CD1-CB 4.02Å; F296-R305 HydrophobicContact CD1-CG 4.19Å; F296-R305 HydrophobicContact CE1-CB 4.13Å; F296-R305 WeakPolarHBondContact CE1-O 3.38Å; D299-R305 PolarHBondContact O-NH2 2.96Å; D299-R305 IonicContact OD2-CZ 3.9Å; D299-R305 IonicContact OD2-NE 2.92Å; D299-R305 PolarHBondContact OD2-NE 2.93Å; S302-R305 PolarHBondContact O-N 3.35Å; T303-R305 PolarHBondContact O-N 3.48Å; T303-R305 VanDerWaalsContact O-N 3.14Å; R305-T308 PolarHBondContact O-N 2.94Å; R305-A309 PolarHBondContact O-N 3.41Å; R305-M398 PolarHBondContact NH1-SD 2.95Å; R305-L402 HydrophobicContact CB-CD2 4.02Å; R305-L402 WeakPolarHBondContact O-CD2 3.35Å
306G88Confident84.8Confident0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-61.5-49.4177.600000110.9T303 T308 A309 E310 R405T303-G306 PolarHBondContact O-N 3.48Å; G306-T308 VanDerWaalsContact C-N 3.28Å; G306-T308 PolarHBondContact O-N 3.1Å; G306-A309 WeakPolarHBondContact O-CB 3.33Å; G306-A309 PolarHBondContact O-N 3.48Å; G306-E310 WeakPolarHBondContact O-CB 3.37Å; G306-E310 PolarHBondContact O-N 2.94Å; G306-R405 VanDerWaalsContact C-CZ 3.5Å; G306-R405 WeakPolarHBondContact O-CD 3.36Å
307D89.5Confident85.7Confident25 Ų2523.5 Ų23.513%0.13413%0.127CC..Hα-helixtrans-62.9-35.6177.9-74.317.8000111.4T303 E310 I311 R405T303-D307 PolarHBondContact O-N 3.45Å; D307-E310 WeakPolarHBondContact O-CB 3.42Å; D307-E310 PolarHBondContact O-N 3.08Å; D307-I311 WeakPolarHBondContact O-CB 3.5Å; D307-I311 VanDerWaalsContact O-CD1 3.29Å; D307-I311 WeakPolarHBondContact O-CD1 3.45Å; D307-I311 WeakPolarHBondContact O-CG1 3.37Å; D307-I311 PolarHBondContact O-N 2.96Å; D307-R405 IonicContact OD1-CZ 3.2Å; D307-R405 IonicContact OD1-NH1 2.74Å; D307-R405 PolarHBondContact OD1-NH1 2.92Å; D307-R405 IonicContact OD1-NH2 3.51Å; D307-R405 PolarHBondContact OD1-NH2 2.96Å
308T93.2Very high86.5Confident0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-66.4-41.4174.8-610000112.4Y161 Q164 S304 R305 G306 E310 I311 L312Y161-T308 HydrophobicContact CD2-CG2 3.95Å; Y161-T308 HydrophobicContact CE2-CG2 4.28Å; Q164-T308 WeakPolarHBondContact CB-OG1 3.35Å; Q164-T308 WeakPolarHBondContact CG-OG1 3.4Å; S304-T308 VanDerWaalsContact O-CB 3.24Å; S304-T308 WeakPolarHBondContact O-CB 3.4Å; S304-T308 PolarHBondContact O-N 2.88Å; S304-T308 PolarHBondContact O-OG1 3.43Å; R305-T308 PolarHBondContact O-N 2.94Å; G306-T308 VanDerWaalsContact C-N 3.28Å; G306-T308 PolarHBondContact O-N 3.1Å; T308-E310 VanDerWaalsContact C-N 3.26Å; T308-E310 PolarHBondContact O-N 2.91Å; T308-I311 PolarHBondContact O-N 3.43Å; T308-L312 HydrophobicContact CG2-CD1 3.83Å; T308-L312 HydrophobicContact CG2-CG 4.38Å; T308-L312 WeakPolarHBondContact O-CB 3.4Å; T308-L312 VanDerWaalsContact O-CG 3.31Å; T308-L312 WeakPolarHBondContact O-CG 3.36Å; T308-L312 PolarHBondContact O-N 2.97Å
309A94.4Very high87.4Confident2 Ų218 Ų182%0.01710%0.095CC..Hα-helixtrans-62.4-34.6172.200000112.2F296 R305 G306 G313 L402 R405 Y406F296-A309 HydrophobicContact CZ-CB 4.08Å; R305-A309 PolarHBondContact O-N 3.41Å; G306-A309 WeakPolarHBondContact O-CB 3.33Å; G306-A309 PolarHBondContact O-N 3.48Å; A309-G313 PolarHBondContact O-N 3.45Å; A309-L402 HydrophobicContact CB-CB 4.23Å; A309-L402 HydrophobicContact CB-CD2 3.96Å; A309-R405 HydrophobicContact CB-CB 4.25Å; A309-Y406 WeakPolarHBondContact O-CA 3.49Å
310E95.3Very high88.9Confident20 Ų2018.2 Ų18.29%0.09310%0.097CC..Hα-helixtrans-72.8-42.4177.6-176.7159.3151.200113G306 D307 T308 S314 R405 Y409G306-E310 WeakPolarHBondContact O-CB 3.37Å; G306-E310 PolarHBondContact O-N 2.94Å; D307-E310 WeakPolarHBondContact O-CB 3.42Å; D307-E310 PolarHBondContact O-N 3.08Å; T308-E310 VanDerWaalsContact C-N 3.26Å; T308-E310 PolarHBondContact O-N 2.91Å; E310-S314 VanDerWaalsContact O-CB 3.28Å; E310-S314 WeakPolarHBondContact O-CB 3.47Å; E310-S314 PolarHBondContact O-N 2.93Å; E310-S314 PolarHBondContact O-OG 3.16Å; E310-R405 HydrophobicContact CB-CB 4.32Å; E310-R405 IonicContact OE2-CZ 3.26Å; E310-R405 IonicContact OE2-NE 3.26Å; E310-R405 IonicContact OE2-NH1 2.83Å; E310-R405 PolarHBondContact OE2-NH1 2.91Å; E310-Y409 HydrophobicContact CB-CD2 4.44Å; E310-Y409 VanDerWaalsContact CD-CE2 3.4Å; E310-Y409 HydrophobicContact CG-CD1 3.78Å; E310-Y409 HydrophobicContact CG-CD2 3.68Å; E310-Y409 HydrophobicContact CG-CE1 4.02Å; E310-Y409 HydrophobicContact CG-CE2 3.95Å; E310-Y409 HydrophobicContact CG-CG 3.59Å; E310-Y409 WeakPolarHBondContact OE1-CE1 3.35Å; E310-Y409 PolarHBondContact OE1-OH 2.92Å; E310-Y409 VanDerWaalsContact OE2-CE2 3.28Å; E310-Y409 WeakPolarHBondContact OE2-CE2 3.46Å
311I96.4Very high90.7Very high9 Ų913.4 Ų13.45%0.0467%0.068CC..Hα-helixtrans-61.2-52.8172.8-69.4153.9000110.4W156 V157 M160 D307 T308 S314 G315W156-I311 HydrophobicContact CH2-CB 4.2Å; W156-I311 HydrophobicContact CH2-CG1 3.89Å; W156-I311 HydrophobicContact CH2-CG2 4.2Å; W156-I311 HydrophobicContact CZ2-CG1 3.98Å; W156-I311 HydrophobicContact CZ3-CG2 4.16Å; V157-I311 HydrophobicContact CB-CG2 4.45Å; V157-I311 HydrophobicContact CG1-CG2 4.34Å; V157-I311 HydrophobicContact CG2-CG2 4.39Å; M160-I311 HydrophobicContact CB-CD1 3.72Å; M160-I311 HydrophobicContact CB-CG1 4.29Å; M160-I311 HydrophobicContact CB-CG2 4.12Å; M160-I311 HydrophobicContact CE-CD1 4.09Å; D307-I311 WeakPolarHBondContact O-CB 3.5Å; D307-I311 VanDerWaalsContact O-CD1 3.29Å; D307-I311 WeakPolarHBondContact O-CD1 3.45Å; D307-I311 WeakPolarHBondContact O-CG1 3.37Å; D307-I311 PolarHBondContact O-N 2.96Å; T308-I311 PolarHBondContact O-N 3.43Å; I311-S314 PolarHBondContact O-N 2.93Å; I311-G315 PolarHBondContact O-N 3.37Å
312L97.4Very high92.3Very high1 Ų17.9 Ų7.91%0.0055%0.048CC..Hα-helixtrans-66.7-38.7-177.8-70.2170.9000111.9V157 Y161 H288 L291 T308 G315 A316 Y406V157-L312 HydrophobicContact CG1-CD2 4.27Å; Y161-L312 HydrophobicContact CD2-CD1 3.86Å; Y161-L312 HydrophobicContact CD2-CD2 3.84Å; Y161-L312 HydrophobicContact CD2-CG 4.09Å; Y161-L312 HydrophobicContact CE2-CD1 3.94Å; Y161-L312 HydrophobicContact CE2-CD2 4.4Å; Y161-L312 HydrophobicContact CG-CD2 4.28Å; H288-L312 HydrophobicContact CB-CB 4.36Å; H288-L312 PolarHBondContact CD2-O 2.94Å; L291-L312 HydrophobicContact CB-CD1 4.25Å; L291-L312 HydrophobicContact CB-CD2 4.23Å; L291-L312 HydrophobicContact CD1-CD2 4.36Å; T308-L312 HydrophobicContact CG2-CD1 3.83Å; T308-L312 HydrophobicContact CG2-CG 4.38Å; T308-L312 WeakPolarHBondContact O-CB 3.4Å; T308-L312 VanDerWaalsContact O-CG 3.31Å; T308-L312 WeakPolarHBondContact O-CG 3.36Å; T308-L312 PolarHBondContact O-N 2.97Å; L312-G315 PolarHBondContact O-N 3.47Å; L312-A316 WeakPolarHBondContact O-CB 3.33Å; L312-A316 PolarHBondContact O-N 3.48Å; L312-Y406 HydrophobicContact CB-CD2 4.39Å; L312-Y406 HydrophobicContact CB-CE2 4.15Å
313G97.7Very high93.6Very high0 Ų08.3 Ų8.30%05%0.049CC..Hα-helixtrans-59-53.9171.900000111.1A309 G315 A316 G317 G410A309-G313 PolarHBondContact O-N 3.45Å; G313-G315 VanDerWaalsContact C-N 3.31Å; G313-G315 PolarHBondContact O-N 2.69Å; G313-A316 PolarHBondContact O-N 2.93Å; G313-G317 PolarHBondContact O-N 2.76Å; G313-G410 WeakPolarHBondContact O-CA 3.33Å
314S97.8Very high94.6Very high18 Ų188.9 Ų8.913%0.1266%0.055CC..Hα-helixtrans-55.1-44.6178.3-59.80000112.6E310 I311 G317 I318E310-S314 VanDerWaalsContact O-CB 3.28Å; E310-S314 WeakPolarHBondContact O-CB 3.47Å; E310-S314 PolarHBondContact O-N 2.93Å; E310-S314 PolarHBondContact O-OG 3.16Å; I311-S314 PolarHBondContact O-N 2.93Å; S314-G317 PolarHBondContact O-N 3.17Å; S314-I318 WeakPolarHBondContact O-CB 3.49Å; S314-I318 WeakPolarHBondContact O-CG1 3.26Å; S314-I318 PolarHBondContact O-N 3.48Å
315G98.1Very high95.4Very high6 Ų69 Ų96%0.0626%0.056CC..Hα-helixtrans-60.7-53.1176.400000113.1I311 L312 G313 G317 I318 A319I311-G315 PolarHBondContact O-N 3.37Å; L312-G315 PolarHBondContact O-N 3.47Å; G313-G315 VanDerWaalsContact C-N 3.31Å; G313-G315 PolarHBondContact O-N 2.69Å; G315-G317 VanDerWaalsContact C-N 3.28Å; G315-G317 PolarHBondContact O-N 2.7Å; G315-I318 PolarHBondContact O-N 2.9Å; G315-A319 WeakPolarHBondContact O-CB 3.48Å; G315-A319 PolarHBondContact O-N 3.43Å
316A98.4Very high95.9Very high4 Ų412.3 Ų12.33%0.0337%0.069CC..Hα-helixtrans-58.9-41.8177.100000111.8I284 H288 L312 G313 C320I284-A316 HydrophobicContact CG2-CB 3.88Å; H288-A316 HydrophobicContact CB-CB 3.99Å; L312-A316 WeakPolarHBondContact O-CB 3.33Å; L312-A316 PolarHBondContact O-N 3.48Å; G313-A316 PolarHBondContact O-N 2.93Å; A316-C320 WeakPolarHBondContact O-CB 3.46Å; A316-C320 PolarHBondContact O-N 3.48Å; A316-C320 PolarHBondContact O-SG 2.69Å
317G98.3Very high96.1Very high5 Ų516.8 Ų16.85%0.0529%0.093CC..Hα-helixtrans-59.4-54.7176.100000113.1G313 S314 G315 A319 C320 G321 G410 F414G313-G317 PolarHBondContact O-N 2.76Å; S314-G317 PolarHBondContact O-N 3.17Å; G315-G317 VanDerWaalsContact C-N 3.28Å; G315-G317 PolarHBondContact O-N 2.7Å; G317-A319 VanDerWaalsContact C-N 3.32Å; G317-A319 PolarHBondContact O-N 2.92Å; G317-C320 PolarHBondContact O-N 3.26Å; G317-G321 PolarHBondContact O-N 3.48Å; G317-G410 WeakPolarHBondContact CA-O 3.22Å; G317-F414 VanDerWaalsContact C-N 3.33Å; G317-F414 VanDerWaalsContact O-CA 3.24Å; G317-F414 WeakPolarHBondContact O-CA 3.2Å; G317-F414 PolarHBondContact O-N 3.21Å
318I97.7Very high96.2Very high10 Ų1021.2 Ų21.25%0.05112%0.116CC..Hα-helixtrans-60.8-41.4-179.5-75.8175.1000111.1V153 S314 G315 S322 G413 T417V153-I318 HydrophobicContact CB-CD1 4.43Å; V153-I318 HydrophobicContact CB-CG2 4.18Å; V153-I318 HydrophobicContact CG1-CB 4.19Å; V153-I318 HydrophobicContact CG1-CD1 3.85Å; V153-I318 HydrophobicContact CG1-CG2 3.93Å; V153-I318 HydrophobicContact CG2-CD1 3.82Å; V153-I318 HydrophobicContact CG2-CG2 4.26Å; S314-I318 WeakPolarHBondContact O-CB 3.49Å; S314-I318 WeakPolarHBondContact O-CG1 3.26Å; S314-I318 PolarHBondContact O-N 3.48Å; G315-I318 PolarHBondContact O-N 2.9Å; I318-S322 WeakPolarHBondContact O-CB 3.28Å; I318-S322 PolarHBondContact O-N 3.25Å; I318-S322 PolarHBondContact O-OG 2.85Å; I318-G413 WeakPolarHBondContact CG1-O 3.42Å; I318-T417 HydrophobicContact CB-CG2 4.36Å; I318-T417 HydrophobicContact CG1-CG2 4.41Å; I318-T417 HydrophobicContact CG2-CG2 3.83Å; I318-T417 PolarHBondContact O-OG1 3.48Å
319A97.9Very high96Very high10 Ų1023.3 Ų23.38%0.08314%0.137CC..Hα-helixtrans-67.3-43.6176.800000112.5N274 I284 G315 G317 S322 H323N274-A319 HydrophobicContact CB-CB 4.3Å; I284-A319 HydrophobicContact CD1-CB 3.8Å; I284-A319 HydrophobicContact CG1-CB 4.38Å; I284-A319 HydrophobicContact CG2-CB 4.06Å; G315-A319 WeakPolarHBondContact O-CB 3.48Å; G315-A319 PolarHBondContact O-N 3.43Å; G317-A319 VanDerWaalsContact C-N 3.32Å; G317-A319 PolarHBondContact O-N 2.92Å; A319-S322 PolarHBondContact O-N 3.48Å; A319-H323 PolarHBondContact O-N 3.13Å
320C98Very high95.4Very high13 Ų1324.9 Ų24.99%0.08815%0.145CC..Hα-helixtrans-68.1-35.3177.1-670000113.1A316 G317 H323 A324 F414A316-C320 WeakPolarHBondContact O-CB 3.46Å; A316-C320 PolarHBondContact O-N 3.48Å; A316-C320 PolarHBondContact O-SG 2.69Å; G317-C320 PolarHBondContact O-N 3.26Å; C320-H323 WeakPolarHBondContact O-CB 3.16Å; C320-H323 PolarHBondContact O-N 3.37Å; C320-A324 PolarHBondContact O-N 3.48Å; C320-A324 VanDerWaalsContact O-N 3.07Å; C320-F414 HydrophobicContact CB-CD2 4.13Å
321G97.4Very high94.3Very high0 Ų025.4 Ų25.40%015%0.151CC..Hα-helixtrans-70.7-36.5175.300000111.8G317 A324 A325 F414 T417G317-G321 PolarHBondContact O-N 3.48Å; G321-A324 PolarHBondContact O-N 2.94Å; G321-A325 WeakPolarHBondContact O-CB 3.38Å; G321-A325 PolarHBondContact O-N 3.27Å; G321-F414 VanDerWaalsContact N-CD2 3.34Å; G321-T417 VanDerWaalsContact CA-OG1 3.28Å; G321-T417 WeakPolarHBondContact CA-OG1 3.38Å
322S96.3Very high93.3Very high8 Ų831 Ų316%0.05618%0.18CC..Hα-helixtrans-63.4-40.9171.4-57.30000112.2R150 I318 A319 A324 A325 Y326 T417R150-S322 VanDerWaalsContact CD-CB 3.47Å; R150-S322 WeakPolarHBondContact CD-OG 2.98Å; I318-S322 WeakPolarHBondContact O-CB 3.28Å; I318-S322 PolarHBondContact O-N 3.25Å; I318-S322 PolarHBondContact O-OG 2.85Å; A319-S322 PolarHBondContact O-N 3.48Å; S322-A324 PolarHBondContact O-N 2.86Å; S322-A325 PolarHBondContact O-N 3.04Å; S322-Y326 WeakPolarHBondContact O-CB 3.27Å; S322-Y326 PolarHBondContact O-N 3.22Å; S322-T417 PolarHBondContact N-OG1 3.15Å
323H96.8Very high92.5Very high13 Ų1333.2 Ų33.26%0.0619%0.192CC..Hα-helixtrans-58.6-45.2172.1-172.275000112N274 Q275 Y277 P281 A319 C320 N327N274-H323 WeakPolarHBondContact O-CB 3.19Å; N274-H323 PolarHBondContact O-ND1 2.85Å; Q275-H323 PolarHBondContact O-ND1 3.06Å; Y277-H323 PolarHBondContact O-CE1 3.44Å; P281-H323 HydrophobicContact CG-CB 4.24Å; P281-H323 WeakPolarHBondContact CG-CD2 3.3Å; A319-H323 PolarHBondContact O-N 3.13Å; C320-H323 WeakPolarHBondContact O-CB 3.16Å; C320-H323 PolarHBondContact O-N 3.37Å; H323-N327 PolarHBondContact CD2-ND2 3.4Å; H323-N327 PolarHBondContact NE2-ND2 3.48Å; H323-N327 WeakPolarHBondContact O-CB 3.48Å; H323-N327 VanDerWaalsContact O-CG 3.25Å; H323-N327 PolarHBondContact O-N 2.89Å; H323-N327 PolarHBondContact O-ND2 3.32Å
324A96Very high91.7Very high18 Ų1835.8 Ų35.815%0.14921%0.209CC..Hα-helixtrans-65.5-40.6176.700000112.6C320 G321 S322 L328 F414 F418C320-A324 PolarHBondContact O-N 3.48Å; C320-A324 VanDerWaalsContact O-N 3.07Å; G321-A324 PolarHBondContact O-N 2.94Å; S322-A324 PolarHBondContact O-N 2.86Å; A324-L328 WeakPolarHBondContact O-CB 3.37Å; A324-L328 PolarHBondContact O-N 3.48Å; A324-L328 VanDerWaalsContact O-N 3.17Å; A324-F414 HydrophobicContact CB-CE2 4.01Å; A324-F414 HydrophobicContact CB-CZ 4.11Å; A324-F418 HydrophobicContact CB-CB 4.45Å; A324-F418 HydrophobicContact CB-CD2 3.58Å; A324-F418 HydrophobicContact CB-CE2 3.87Å; A324-F418 HydrophobicContact CB-CG 3.93Å; A324-F418 HydrophobicContact CB-CZ 4.47Å
325A94.8Very high90.7Very high3 Ų338.2 Ų38.23%0.02523%0.225CC..Hα-helixtrans-68.2-36.7178.300000112.6G321 S322 G329 I330 T417 F418G321-A325 WeakPolarHBondContact O-CB 3.38Å; G321-A325 PolarHBondContact O-N 3.27Å; S322-A325 PolarHBondContact O-N 3.04Å; A325-G329 PolarHBondContact O-N 3.18Å; A325-G329 VanDerWaalsContact O-N 3.17Å; A325-I330 HydrophobicContact CB-CB 4.41Å; A325-I330 PolarHBondContact O-N 3.49Å; A325-T417 WeakPolarHBondContact CB-O 3.47Å; A325-F418 HydrophobicContact CB-CD2 4.22Å
326Y94Very high90.1Very high93 Ų9344.5 Ų44.537%0.36526%0.257SS..Hα-helixtrans-64.7-53.7173.2-179-95.6000111.3Q275 T276 S322 L328 G329Q275-Y326 HydrophobicContact CB-CD2 4.24Å; Q275-Y326 HydrophobicContact CB-CG 4.1Å; Q275-Y326 WeakPolarHBondContact O-CD1 3.28Å; T276-Y326 HydrophobicContact CG2-CE1 4.02Å; T276-Y326 HydrophobicContact CG2-CE2 4.44Å; S322-Y326 WeakPolarHBondContact O-CB 3.27Å; S322-Y326 PolarHBondContact O-N 3.22Å; Y326-L328 PolarHBondContact O-N 3.03Å; Y326-L328 VanDerWaalsContact O-N 3.16Å; Y326-G329 PolarHBondContact O-N 3.44Å
327N92.6Very high89.4Confident95 Ų9553.1 Ų53.151%0.50830%0.296SS..Hα-helixtrans-61.2-25.5-178.8-72.1-22.7000114.1H323H323-N327 PolarHBondContact CD2-ND2 3.4Å; H323-N327 PolarHBondContact NE2-ND2 3.48Å; H323-N327 WeakPolarHBondContact O-CB 3.48Å; H323-N327 VanDerWaalsContact O-CG 3.25Å; H323-N327 PolarHBondContact O-N 2.89Å; H323-N327 PolarHBondContact O-ND2 3.32Å
328L91.5Very high88.9Confident118 Ų11856.2 Ų56.262%0.61831%0.314SS*.THydrogen-bonded Turntrans-1026.6177.8-72.4164.7000113.5A324 Y326 I330 F418A324-L328 WeakPolarHBondContact O-CB 3.37Å; A324-L328 PolarHBondContact O-N 3.48Å; A324-L328 VanDerWaalsContact O-N 3.17Å; Y326-L328 PolarHBondContact O-N 3.03Å; Y326-L328 VanDerWaalsContact O-N 3.16Å; L328-I330 HydrophobicContact CB-CD1 3.85Å; L328-I330 HydrophobicContact CB-CG1 4.11Å; L328-I330 PolarHBondContact O-N 2.97Å; L328-F418 HydrophobicContact CD1-CE2 3.54Å; L328-F418 HydrophobicContact CD1-CZ 3.64Å
329G88.6Confident88.4Confident43 Ų4358.3 Ų58.344%0.44333%0.325SS..THydrogen-bonded Turntrans6715.1175.400000115.4A325 Y326A325-G329 PolarHBondContact O-N 3.18Å; A325-G329 VanDerWaalsContact O-N 3.17Å; Y326-G329 PolarHBondContact O-N 3.44Å
330I83Confident88Confident36 Ų3660.9 Ų60.919%0.18534%0.341CS..SBendtrans-74.4-28.5-175.1-62.2162.6000111.3A325 L328 F418 P421 Y422A325-I330 HydrophobicContact CB-CB 4.41Å; A325-I330 PolarHBondContact O-N 3.49Å; L328-I330 HydrophobicContact CB-CD1 3.85Å; L328-I330 HydrophobicContact CB-CG1 4.11Å; L328-I330 PolarHBondContact O-N 2.97Å; I330-F418 HydrophobicContact CD1-CD2 3.93Å; I330-F418 HydrophobicContact CD1-CE2 3.44Å; I330-F418 VanDerWaalsContact CD1-CE2 3.44Å; I330-F418 HydrophobicContact CD1-CZ 4.3Å; I330-P421 HydrophobicContact CG2-CB 4.27Å; I330-Y422 HydrophobicContact CD1-CD2 3.75Å; I330-Y422 HydrophobicContact CD1-CG 4.44Å; I330-Y422 HydrophobicContact CG1-CD2 4.29Å
331S71.5Confident87.6Confident30 Ų3061.5 Ų61.521%0.2134%0.344CS..SBendtrans-143.291.9-179.1-640000109.8
332L76.1Confident87.3Confident126 Ų12664.4 Ų64.466%0.6637%0.368SS*.PPolyproline II helixtrans-93.3127.1173.4-62.4174.8000109.1
333D81Confident86.9Confident49 Ų4969.3 Ų69.326%0.26239%0.392SS..PPolyproline II helixtrans-66.6139176.9-64.4-41.6000110.5F147 R150 Q275 S335F147-D333 HydrophobicContact CD2-CB 4.15Å; R150-D333 IonicContact CZ-OD1 2.72Å; R150-D333 IonicContact CZ-OD2 3.27Å; R150-D333 IonicContact NH1-OD1 3.65Å; R150-D333 PolarHBondContact NH1-OD1 3.17Å; R150-D333 IonicContact NH1-OD2 3.21Å; R150-D333 IonicContact NH2-OD1 3.43Å; R150-D333 PolarHBondContact NH2-OD1 2.98Å; R150-D333 IonicContact NH2-OD2 3.59Å; R150-D333 PolarHBondContact NH2-OD2 2.85Å; Q275-D333 PolarHBondContact NE2-OD2 3.25Å; D333-S335 PolarHBondContact O-N 3.41Å
334P79.1Confident86.4Confident54 Ų5471.7 Ų71.735%0.35141%0.408SS..PPolyproline II helixtrans-55.3137.1177.5-27.234.1000113T338P334-T338 WeakPolarHBondContact CB-OG1 3.37Å
335S78.3Confident86.1Confident68 Ų6875.7 Ų75.748%0.47643%0.433SS..PPolyproline II helixtrans-65.4148.7-178.870.70000111.5D333 H337 T338D333-S335 PolarHBondContact O-N 3.41Å; S335-H337 PolarHBondContact O-N 2.99Å; S335-T338 PolarHBondContact O-N 3.47Å; S335-T338 PolarHBondContact O-OG1 3.31Å
336L84.7Confident85.8Confident139 Ų13983.1 Ų83.173%0.72847%0.471SS*.G310 helixtrans-56.7-26.5-175.5-63.1176.8000113.5T338 L339L336-T338 PolarHBondContact O-N 3.45Å; L336-L339 HydrophobicContact CD2-CD1 3.96Å; L336-L339 PolarHBondContact O-N 3.36Å
337H84.8Confident85.7Confident184 Ų18482 Ų8285%0.85247%0.474SS*.G310 helixtrans-70.1-10.7175.9-55.4-61.6000114.6S335S335-H337 PolarHBondContact O-N 2.99Å
338T86.3Confident85.7Confident70 Ų7083.6 Ų83.643%0.42949%0.487SS..G310 helixtrans-93.70.1175.562.90000113.5P334 S335 L336P334-T338 WeakPolarHBondContact CB-OG1 3.37Å; S335-T338 PolarHBondContact O-N 3.47Å; S335-T338 PolarHBondContact O-OG1 3.31Å; L336-T338 PolarHBondContact O-N 3.45Å
339L88.3Confident85.8Confident54 Ų5483 Ų8328%0.28349%0.489SS..PPolyproline II helixtrans-92146.3-179.4-53.1-175.4000111.4R215 L336 L341R215-L339 HydrophobicContact CG-CD2 4.1Å; L336-L339 HydrophobicContact CD2-CD1 3.96Å; L336-L339 PolarHBondContact O-N 3.36Å; L339-L341 HydrophobicContact CD2-CD1 4.19Å; L339-L341 HydrophobicContact CD2-CD2 4.15Å; L339-L341 HydrophobicContact CD2-CG 3.75Å
340P89.4Confident86Confident64 Ų6483.7 Ų83.742%0.41648%0.482SS..SBendcis-79136.7-2.431.8-34.6000112.5G214 R215 Q217 A342G214-P340 WeakPolarHBondContact O-CB 3.31Å; R215-P340 WeakPolarHBondContact O-CA 3.37Å; Q217-P340 HydrophobicContact CG-CB 3.75Å; Q217-P340 HydrophobicContact CG-CG 3.75Å; Q217-P340 PolarHBondContact NE2-O 3.21Å; P340-A342 PolarHBondContact O-N 2.79Å
341L90.2Very high86.5Confident27 Ų2788.5 Ų88.514%0.14150%0.502CS..BIsolated β-bridgetrans-64.3123.8179.7-62.1171000110.9R215 W216 Q217 L339R215-L341 WeakPolarHBondContact O-CB 3.39Å; R215-L341 PolarHBondContact O-N 3.31Å; W216-L341 CarbonylContact C-O 3.6Å; W216-L341 WeakPolarHBondContact CA-O 3.33Å; W216-L341 HydrophobicContact CD2-CB 3.75Å; W216-L341 HydrophobicContact CD2-CD1 4.12Å; W216-L341 HydrophobicContact CE3-CB 3.63Å; W216-L341 HydrophobicContact CG-CB 4.32Å; W216-L341 HydrophobicContact CH2-CB 4.27Å; W216-L341 HydrophobicContact CH2-CD1 4.19Å; W216-L341 HydrophobicContact CZ2-CB 4.37Å; W216-L341 HydrophobicContact CZ2-CD1 3.65Å; W216-L341 HydrophobicContact CZ3-CB 3.9Å; Q217-L341 PolarHBondContact N-O 3.25Å; L339-L341 HydrophobicContact CD2-CD1 4.19Å; L339-L341 HydrophobicContact CD2-CD2 4.15Å; L339-L341 HydrophobicContact CD2-CG 3.75Å
342A90.2Very high87.6Confident61 Ų6188.7 Ų88.750%0.50451%0.508SS..PPolyproline II helixtrans-72.8142172.200000110.7P340 P344P340-A342 PolarHBondContact O-N 2.79Å; A342-P344 WeakPolarHBondContact O-CD 3.41Å
343I88.6Confident88.5Confident110 Ų11085.9 Ų85.956%0.56449%0.491SS*.PPolyproline II helixtrans-68.4121.7173.8-59.2176.1000108.2
344P86.4Confident89.1Confident63 Ų6384.5 Ų84.541%0.40949%0.486SS..PPolyproline II helixtrans-68.3148.3-179.928.4-35.3000111.2A342 L346 L350A342-P344 WeakPolarHBondContact O-CD 3.41Å; P344-L346 PolarHBondContact O-N 3.1Å; P344-L350 HydrophobicContact CB-CD2 4.1Å; P344-L350 HydrophobicContact CG-CD2 3.83Å
345P88.2Confident89.9Confident103 Ų10386 Ų8667%0.66949%0.491SS*.PPolyproline II helixtrans-61.9138.7176.226.2-34000110.9T347P345-T347 PolarHBondContact O-N 3.17Å
346L88.2Confident90.8Very high158 Ų15886.4 Ų86.483%0.82749%0.487SS*.  trans-71.375.8-179.9-68175.1000111.5P344P344-L346 PolarHBondContact O-N 3.1Å
347T93.3Very high91.4Very high69 Ų6980.7 Ų80.742%0.42346%0.456SS..  trans-77.5150173.263.10000111.2P345 T349 L350 F351P345-T347 PolarHBondContact O-N 3.17Å; T347-T349 PolarHBondContact O-N 3.45Å; T347-L350 PolarHBondContact O-N 2.96Å; T347-L350 VanDerWaalsContact O-N 3.12Å; T347-L350 VanDerWaalsContact OG1-CB 3.29Å; T347-L350 WeakPolarHBondContact OG1-CB 3.49Å; T347-L350 PolarHBondContact OG1-N 2.87Å; T347-L350 VanDerWaalsContact OG1-N 3.14Å; T347-F351 PolarHBondContact O-N 3.21Å
348V92.9Very high91.9Very high130 Ų13073.8 Ų73.879%0.78843%0.426SS*.Hα-helixtrans-56.1-37173.9-176.40000110.7G352V348-G352 PolarHBondContact O-N 2.98Å
349T93.1Very high92.4Very high105 Ų10574.1 Ų74.164%0.64443%0.428SS*.Hα-helixtrans-64.2-44.6176.2-47.40000112.8T347 K353T347-T349 PolarHBondContact O-N 3.45Å; T349-K353 WeakPolarHBondContact O-CB 3.41Å; T349-K353 PolarHBondContact O-N 3.39Å
350L91.9Very high92.8Very high58 Ų5873.8 Ų73.830%0.30443%0.426SS..Hα-helixtrans-65.2-46177.5177.761.6000111.3P344 T347 K353 A354P344-L350 HydrophobicContact CB-CD2 4.1Å; P344-L350 HydrophobicContact CG-CD2 3.83Å; T347-L350 PolarHBondContact O-N 2.96Å; T347-L350 VanDerWaalsContact O-N 3.12Å; T347-L350 VanDerWaalsContact OG1-CB 3.29Å; T347-L350 WeakPolarHBondContact OG1-CB 3.49Å; T347-L350 PolarHBondContact OG1-N 2.87Å; T347-L350 VanDerWaalsContact OG1-N 3.14Å; L350-K353 PolarHBondContact O-N 3.38Å; L350-A354 WeakPolarHBondContact O-CB 3.11Å; L350-A354 PolarHBondContact O-N 3.01Å
351F93.3Very high93.2Very high136 Ų13670.8 Ų70.860%0.59641%0.407SS*.Hα-helixtrans-65.1-42.1178.3-173.8-112.6000112.1T347 A354 I355T347-F351 PolarHBondContact O-N 3.21Å; F351-A354 PolarHBondContact O-N 3.34Å; F351-I355 HydrophobicContact CD1-CD1 3.9Å; F351-I355 HydrophobicContact CE1-CD1 3.46Å; F351-I355 VanDerWaalsContact CE1-CD1 3.46Å; F351-I355 HydrophobicContact CE2-CD1 4.37Å; F351-I355 HydrophobicContact CZ-CD1 3.73Å; F351-I355 HydrophobicContact CZ-CG1 4.48Å; F351-I355 PolarHBondContact O-N 3Å
352G94.9Very high93.5Very high34 Ų3470.9 Ų70.935%0.35141%0.407SS..Hα-helixtrans-62.9-45.5174.700000112.7V348 A354 I355 L356V348-G352 PolarHBondContact O-N 2.98Å; G352-A354 VanDerWaalsContact C-N 3.32Å; G352-A354 PolarHBondContact O-N 3.32Å; G352-I355 PolarHBondContact O-N 3.47Å; G352-L356 VanDerWaalsContact O-CB 3.26Å; G352-L356 WeakPolarHBondContact O-CB 3.35Å; G352-L356 PolarHBondContact O-N 3.3Å
353K94.8Very high93.9Very high68 Ų6873.3 Ų73.330%0.29641%0.411SS..Hα-helixtrans-57.4-45.2170.7-85.9-164.6167-158.10111.3T349 L350 L356 R357 G428 S430T349-K353 WeakPolarHBondContact O-CB 3.41Å; T349-K353 PolarHBondContact O-N 3.39Å; L350-K353 PolarHBondContact O-N 3.38Å; K353-L356 PolarHBondContact O-N 3.33Å; K353-R357 WeakPolarHBondContact O-CG 3.5Å; K353-R357 PolarHBondContact O-N 3.38Å; K353-G428 WeakPolarHBondContact CE-O 3.29Å; K353-G428 PolarHBondContact NZ-O 3.37Å; K353-S430 PolarHBondContact NZ-O 2.79Å
354A94.9Very high94.3Very high20 Ų2070.1 Ų70.117%0.16540%0.395CS..Hα-helixtrans-63.1-45.7-178.600000112.8N143 L350 F351 G352 L356 R357 V358N143-A354 HydrophobicContact CB-CB 4.44Å; N143-A354 VanDerWaalsContact OD1-CA 3.26Å; N143-A354 WeakPolarHBondContact OD1-CA 3.39Å; L350-A354 WeakPolarHBondContact O-CB 3.11Å; L350-A354 PolarHBondContact O-N 3.01Å; F351-A354 PolarHBondContact O-N 3.34Å; G352-A354 VanDerWaalsContact C-N 3.32Å; G352-A354 PolarHBondContact O-N 3.32Å; A354-L356 VanDerWaalsContact C-N 3.33Å; A354-L356 PolarHBondContact O-N 3.38Å; A354-R357 PolarHBondContact O-N 2.88Å; A354-V358 VanDerWaalsContact O-CG2 3.31Å; A354-V358 WeakPolarHBondContact O-CG2 3.19Å; A354-V358 PolarHBondContact O-N 3.47Å
355I95.6Very high94.8Very high86 Ų8667.1 Ų67.144%0.44138%0.375SS..Hα-helixtrans-59.3-45.6172.7-70.5172.8000110.6F351 G352 R357 V358 V359F351-I355 HydrophobicContact CD1-CD1 3.9Å; F351-I355 HydrophobicContact CE1-CD1 3.46Å; F351-I355 VanDerWaalsContact CE1-CD1 3.46Å; F351-I355 HydrophobicContact CE2-CD1 4.37Å; F351-I355 HydrophobicContact CZ-CD1 3.73Å; F351-I355 HydrophobicContact CZ-CG1 4.48Å; F351-I355 PolarHBondContact O-N 3Å; G352-I355 PolarHBondContact O-N 3.47Å; I355-R357 PolarHBondContact O-N 3.28Å; I355-V358 PolarHBondContact O-N 3.05Å; I355-V359 HydrophobicContact CG2-CG2 4.16Å; I355-V359 WeakPolarHBondContact O-CG2 3.46Å; I355-V359 PolarHBondContact O-N 2.87Å
356L96.4Very high95.2Very high76 Ų7666 Ų6640%0.39836%0.363SS..Hα-helixtrans-65.5-40.6-176.6-169.858.8000112.3G352 K353 A354 I360 I429G352-L356 VanDerWaalsContact O-CB 3.26Å; G352-L356 WeakPolarHBondContact O-CB 3.35Å; G352-L356 PolarHBondContact O-N 3.3Å; K353-L356 PolarHBondContact O-N 3.33Å; A354-L356 VanDerWaalsContact C-N 3.33Å; A354-L356 PolarHBondContact O-N 3.38Å; L356-I360 HydrophobicContact CD1-CD1 3.65Å; L356-I360 HydrophobicContact CD1-CG1 4.06Å; L356-I360 HydrophobicContact CG-CD1 3.88Å; L356-I360 WeakPolarHBondContact O-CB 3.2Å; L356-I360 WeakPolarHBondContact O-CG1 3.48Å; L356-I360 PolarHBondContact O-N 3.5Å; L356-I429 HydrophobicContact CB-CD1 4.38Å; L356-I429 HydrophobicContact CD2-CD1 4.25Å; L356-I429 HydrophobicContact CD2-CG2 3.73Å; L356-I429 HydrophobicContact CG-CD1 3.88Å
357R97.2Very high95.6Very high18 Ų1864.6 Ų64.67%0.06835%0.351CS..Hα-helixtrans-60.2-47.1170.6-70.5-172.7-147.9118.8-11111.3W142 N143 K353 A354 I355 G361 F424 I429 S430W142-R357 HydrophobicContact CB-CB 4.47Å; W142-R357 WeakPolarHBondContact O-CD 3.28Å; W142-R357 PolarHBondContact O-NH1 2.87Å; N143-R357 PolarHBondContact OD1-NH1 2.94Å; K353-R357 WeakPolarHBondContact O-CG 3.5Å; K353-R357 PolarHBondContact O-N 3.38Å; A354-R357 PolarHBondContact O-N 2.88Å; I355-R357 PolarHBondContact O-N 3.28Å; R357-G361 WeakPolarHBondContact O-CA 3.21Å; R357-G361 PolarHBondContact O-N 2.94Å; R357-F424 HydrophobicContact CB-CD2 4.25Å; R357-F424 HydrophobicContact CB-CE1 4.4Å; R357-F424 HydrophobicContact CB-CE2 3.69Å; R357-F424 HydrophobicContact CB-CZ 3.78Å; R357-F424 HydrophobicContact CG-CD2 3.82Å; R357-F424 HydrophobicContact CG-CE2 3.79Å; R357-F424 HydrophobicContact CG-CG 4.21Å; R357-F424 HydrophobicContact CG-CZ 4.16Å; R357-F424 WeakPolarHBondContact O-CZ 3.44Å; R357-I429 HydrophobicContact CG-CD1 3.99Å; R357-I429 HydrophobicContact CG-CG1 4.14Å; R357-I429 PolarHBondContact NE-O 2.97Å; R357-I429 PolarHBondContact NH2-O 3.01Å; R357-S430 PolarHBondContact NH2-O 3.12Å; R357-S430 PolarHBondContact NH2-OXT 3.25Å
358V96Very high95.8Very high39 Ų3962.2 Ų62.224%0.23634%0.336CS..Hα-helixtrans-62.1-47.9178.4173.80000111.4F139 A354 I355 M362F139-V358 HydrophobicContact CD2-CG2 3.71Å; F139-V358 HydrophobicContact CE2-CG2 4.32Å; A354-V358 VanDerWaalsContact O-CG2 3.31Å; A354-V358 WeakPolarHBondContact O-CG2 3.19Å; A354-V358 PolarHBondContact O-N 3.47Å; I355-V358 PolarHBondContact O-N 3.05Å; V358-M362 HydrophobicContact CG1-CG 4.24Å; V358-M362 VanDerWaalsContact O-CB 3.22Å; V358-M362 WeakPolarHBondContact O-CB 3.25Å; V358-M362 WeakPolarHBondContact O-CG 3.33Å; V358-M362 PolarHBondContact O-N 3.08Å
359V96.7Very high96Very high77 Ų7758.8 Ų58.847%0.46731%0.309SS..Hα-helixtrans-65.9-51.8-177.41730000111.3I355 L363I355-V359 HydrophobicContact CG2-CG2 4.16Å; I355-V359 WeakPolarHBondContact O-CG2 3.46Å; I355-V359 PolarHBondContact O-N 2.87Å; V359-L363 HydrophobicContact CG1-CD1 4.11Å; V359-L363 WeakPolarHBondContact O-CB 3.43Å; V359-L363 VanDerWaalsContact O-CG 3.25Å; V359-L363 WeakPolarHBondContact O-CG 3.08Å; V359-L363 PolarHBondContact O-N 2.73Å; V359-L363 VanDerWaalsContact O-N 3.08Å
360I97.1Very high96.1Very high48 Ų4857.2 Ų57.225%0.24630%0.297CS..Hα-helixtrans-65.2-45.7179.3-65.6177.8000110.5L356 M362 L363 L364 F424 I427 I429L356-I360 HydrophobicContact CD1-CD1 3.65Å; L356-I360 HydrophobicContact CD1-CG1 4.06Å; L356-I360 HydrophobicContact CG-CD1 3.88Å; L356-I360 WeakPolarHBondContact O-CB 3.2Å; L356-I360 WeakPolarHBondContact O-CG1 3.48Å; L356-I360 PolarHBondContact O-N 3.5Å; I360-M362 PolarHBondContact O-N 2.75Å; I360-L363 PolarHBondContact O-N 3.3Å; I360-L364 HydrophobicContact CG2-CD1 3.83Å; I360-L364 HydrophobicContact CG2-CG 4.38Å; I360-L364 VanDerWaalsContact O-CG 3.32Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.1Å; I360-F424 HydrophobicContact CB-CE1 4.28Å; I360-F424 HydrophobicContact CG2-CE1 4.13Å; I360-I427 HydrophobicContact CD1-CD1 3.96Å; I360-I429 HydrophobicContact CD1-CD1 4.11Å
361G97.6Very high96.3Very high0 Ų058 Ų580%030%0.3CS..Hα-helixtrans-62.6-43.2-179.500000112.9W142 R357 L364 V365W142-G361 VanDerWaalsContact CH2-CA 3.44Å; R357-G361 WeakPolarHBondContact O-CA 3.21Å; R357-G361 PolarHBondContact O-N 2.94Å; G361-L364 PolarHBondContact O-N 3.32Å; G361-V365 WeakPolarHBondContact O-CB 3.37Å; G361-V365 WeakPolarHBondContact O-CG2 3.18Å; G361-V365 PolarHBondContact O-N 2.93Å
362M96.8Very high96.5Very high30 Ų3053.2 Ų53.215%0.14828%0.28CS..Hα-helixtrans-69.5-35.2176.9-69.6-52.3-57.500112.5I134 I135 W142 V358 I360 V365 L366I134-M362 HydrophobicContact CG1-CE 4.45Å; I134-M362 HydrophobicContact CG2-CE 4.43Å; I134-M362 WeakPolarHBondContact O-CE 3.49Å; I134-M362 VanDerWaalsContact O-SD 3.37Å; I135-M362 HydrophobicContact CG1-CE 4Å; I135-M362 HydrophobicContact CG1-SD 4.5Å; W142-M362 HydrophobicContact CH2-SD 4.39Å; W142-M362 HydrophobicContact CZ3-CG 4.46Å; W142-M362 HydrophobicContact CZ3-SD 4.27Å; V358-M362 HydrophobicContact CG1-CG 4.24Å; V358-M362 VanDerWaalsContact O-CB 3.22Å; V358-M362 WeakPolarHBondContact O-CB 3.25Å; V358-M362 WeakPolarHBondContact O-CG 3.33Å; V358-M362 PolarHBondContact O-N 3.08Å; I360-M362 PolarHBondContact O-N 2.75Å; M362-V365 HydrophobicContact CE-CG1 4.28Å; M362-V365 PolarHBondContact O-N 3.19Å; M362-L366 WeakPolarHBondContact O-CB 3.38Å; M362-L366 VanDerWaalsContact O-CG 3.22Å; M362-L366 WeakPolarHBondContact O-CG 3.28Å; M362-L366 PolarHBondContact O-N 3.39Å
363L97.2Very high96.5Very high111 Ų11153.9 Ų53.958%0.58127%0.273SS*.Hα-helixtrans-61.9-43.4171.1-72.6169.5000111.4V359 I360 L366 F367V359-L363 HydrophobicContact CG1-CD1 4.11Å; V359-L363 WeakPolarHBondContact O-CB 3.43Å; V359-L363 VanDerWaalsContact O-CG 3.25Å; V359-L363 WeakPolarHBondContact O-CG 3.08Å; V359-L363 PolarHBondContact O-N 2.73Å; V359-L363 VanDerWaalsContact O-N 3.08Å; I360-L363 PolarHBondContact O-N 3.3Å; L363-L366 PolarHBondContact O-N 3.21Å; L363-F367 VanDerWaalsContact O-CB 3.28Å; L363-F367 WeakPolarHBondContact O-CB 3.46Å; L363-F367 PolarHBondContact O-N 2.73Å
364L97.5Very high96.4Very high44 Ų4457 Ų5723%0.2329%0.287CS..Hα-helixtrans-65.5-42.2175.5-69.9170.5000112.4I360 G361 L366 F367 V368 I420 I423I360-L364 HydrophobicContact CG2-CD1 3.83Å; I360-L364 HydrophobicContact CG2-CG 4.38Å; I360-L364 VanDerWaalsContact O-CG 3.32Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.1Å; G361-L364 PolarHBondContact O-N 3.32Å; L364-L366 PolarHBondContact O-N 3.36Å; L364-F367 PolarHBondContact O-N 2.83Å; L364-V368 WeakPolarHBondContact O-CB 3.38Å; L364-V368 WeakPolarHBondContact O-CG2 3.5Å; L364-V368 PolarHBondContact O-N 2.97Å; L364-I420 HydrophobicContact CB-CD1 3.81Å; L364-I420 HydrophobicContact CB-CG1 3.9Å; L364-I420 HydrophobicContact CD1-CG1 4.02Å; L364-I420 HydrophobicContact CD1-CG2 4.42Å; L364-I423 HydrophobicContact CD1-CD1 3.86Å; L364-I423 HydrophobicContact CD1-CG2 4.23Å
365V97.1Very high96.4Very high0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-58.3-46.6173.5161.50000111.2I134 W142 G361 M362 R369 V412 I416 I420I134-V365 HydrophobicContact CD1-CG1 3.8Å; I134-V365 HydrophobicContact CG1-CG1 3.89Å; W142-V365 HydrophobicContact CH2-CG2 3.99Å; W142-V365 HydrophobicContact CZ2-CG2 4.35Å; G361-V365 WeakPolarHBondContact O-CB 3.37Å; G361-V365 WeakPolarHBondContact O-CG2 3.18Å; G361-V365 PolarHBondContact O-N 2.93Å; M362-V365 HydrophobicContact CE-CG1 4.28Å; M362-V365 PolarHBondContact O-N 3.19Å; V365-R369 VanDerWaalsContact O-CB 3.26Å; V365-R369 WeakPolarHBondContact O-CB 3.43Å; V365-R369 PolarHBondContact O-N 2.83Å; V365-V412 HydrophobicContact CG1-CG1 3.89Å; V365-I416 HydrophobicContact CG2-CD1 4.23Å; V365-I416 HydrophobicContact CG2-CG1 3.7Å; V365-I420 HydrophobicContact CG2-CD1 3.64Å
366L96.1Very high96.4Very high79 Ų7956 Ų5641%0.41428%0.282SS..Hα-helixtrans-66.4-40179.2-70.9171.5000112M362 L363 L364 R369 D370M362-L366 WeakPolarHBondContact O-CB 3.38Å; M362-L366 VanDerWaalsContact O-CG 3.22Å; M362-L366 WeakPolarHBondContact O-CG 3.28Å; M362-L366 PolarHBondContact O-N 3.39Å; L363-L366 PolarHBondContact O-N 3.21Å; L364-L366 PolarHBondContact O-N 3.36Å; L366-R369 VanDerWaalsContact CD2-NH2 3.27Å; L366-R369 PolarHBondContact O-N 2.91Å; L366-D370 WeakPolarHBondContact O-CB 3.34Å; L366-D370 PolarHBondContact O-N 3.42Å
367F97.3Very high96.2Very high129 Ų12952.5 Ų52.557%0.56626%0.264SS*.Hα-helixtrans-63.7-47.8175.9-178.7-108.8000112.1L363 L364 R369 D370 I371L363-F367 VanDerWaalsContact O-CB 3.28Å; L363-F367 WeakPolarHBondContact O-CB 3.46Å; L363-F367 PolarHBondContact O-N 2.73Å; L364-F367 PolarHBondContact O-N 2.83Å; F367-R369 PolarHBondContact O-N 3.21Å; F367-D370 PolarHBondContact O-N 2.85Å; F367-I371 HydrophobicContact CD1-CD1 3.91Å; F367-I371 HydrophobicContact CD2-CD1 4.23Å; F367-I371 HydrophobicContact CE1-CD1 3.49Å; F367-I371 VanDerWaalsContact CE1-CD1 3.49Å; F367-I371 HydrophobicContact CE2-CD1 3.84Å; F367-I371 HydrophobicContact CG-CD1 4.28Å; F367-I371 HydrophobicContact CZ-CD1 3.46Å; F367-I371 VanDerWaalsContact CZ-CD1 3.46Å; F367-I371 WeakPolarHBondContact O-CG1 3.5Å; F367-I371 PolarHBondContact O-N 3.36Å
368V97.4Very high95.9Very high19 Ų1954.5 Ų54.512%0.11528%0.28CS..Hα-helixtrans-60.4-44.6173.3170.30000110.7L364 D370 I371 M372 T411 V412L364-V368 WeakPolarHBondContact O-CB 3.38Å; L364-V368 WeakPolarHBondContact O-CG2 3.5Å; L364-V368 PolarHBondContact O-N 2.97Å; V368-D370 PolarHBondContact O-N 3.07Å; V368-I371 PolarHBondContact O-N 2.75Å; V368-M372 HydrophobicContact CG1-CG 4.17Å; V368-M372 VanDerWaalsContact O-CB 3.29Å; V368-M372 WeakPolarHBondContact O-CB 3.43Å; V368-M372 VanDerWaalsContact O-CG 3.26Å; V368-M372 WeakPolarHBondContact O-CG 3.33Å; V368-M372 PolarHBondContact O-N 2.93Å; V368-T411 HydrophobicContact CG1-CG2 3.93Å; V368-V412 HydrophobicContact CG1-CG2 4.05Å
369R96.5Very high95.8Very high57 Ų5757.6 Ų57.622%0.21529%0.294CS..Hα-helixtrans-62.9-38.7179.4-167.5175.667.3154.8-1.7112.4E130 V365 L366 F367 K373 T408 V412E130-R369 IonicContact OE1-CZ 3.15Å; E130-R369 IonicContact OE1-NH1 2.75Å; E130-R369 PolarHBondContact OE1-NH1 3.26Å; E130-R369 IonicContact OE2-NH1 2.76Å; V365-R369 VanDerWaalsContact O-CB 3.26Å; V365-R369 WeakPolarHBondContact O-CB 3.43Å; V365-R369 PolarHBondContact O-N 2.83Å; L366-R369 VanDerWaalsContact CD2-NH2 3.27Å; L366-R369 PolarHBondContact O-N 2.91Å; F367-R369 PolarHBondContact O-N 3.21Å; R369-K373 HydrophobicContact CG-CD 4.39Å; R369-K373 WeakPolarHBondContact O-CB 3.46Å; R369-K373 VanDerWaalsContact O-CG 3.28Å; R369-K373 WeakPolarHBondContact O-CG 3.47Å; R369-K373 PolarHBondContact O-N 2.68Å; R369-K373 VanDerWaalsContact O-N 3.07Å; R369-T408 HydrophobicContact CG-CG2 3.96Å; R369-V412 HydrophobicContact CB-CG2 3.8Å; R369-V412 HydrophobicContact CG-CG2 4.25Å
370D95.6Very high95.5Very high73 Ų7354.2 Ų54.239%0.3927%0.274SS..Hα-helixtrans-71-48.7177.2175.265.1000112.3L366 F367 V368 M372 K373 K374L366-D370 WeakPolarHBondContact O-CB 3.34Å; L366-D370 PolarHBondContact O-N 3.42Å; F367-D370 PolarHBondContact O-N 2.85Å; V368-D370 PolarHBondContact O-N 3.07Å; D370-M372 PolarHBondContact O-N 2.88Å; D370-K373 PolarHBondContact O-N 3.02Å; D370-K374 VanDerWaalsContact CG-NZ 3.26Å; D370-K374 WeakPolarHBondContact O-CB 3.25Å; D370-K374 WeakPolarHBondContact O-CG 3.25Å; D370-K374 PolarHBondContact O-N 2.77Å; D370-K374 WeakPolarHBondContact OD1-CE 3.2Å; D370-K374 IonicContact OD1-NZ 3.48Å; D370-K374 PolarHBondContact OD1-NZ 3.45Å; D370-K374 VanDerWaalsContact OD1-NZ 3.09Å; D370-K374 WeakPolarHBondContact OD2-CE 3.48Å; D370-K374 IonicContact OD2-NZ 2.73Å; D370-K374 PolarHBondContact OD2-NZ 3.39Å
371I97.1Very high95.3Very high73 Ų7352.2 Ų52.237%0.37426%0.264SS..Hα-helixtrans-57.7-49.3175-72.3175.1000110.4F367 V368 K373 K374 V375F367-I371 HydrophobicContact CD1-CD1 3.91Å; F367-I371 HydrophobicContact CD2-CD1 4.23Å; F367-I371 HydrophobicContact CE1-CD1 3.49Å; F367-I371 VanDerWaalsContact CE1-CD1 3.49Å; F367-I371 HydrophobicContact CE2-CD1 3.84Å; F367-I371 HydrophobicContact CG-CD1 4.28Å; F367-I371 HydrophobicContact CZ-CD1 3.46Å; F367-I371 VanDerWaalsContact CZ-CD1 3.46Å; F367-I371 WeakPolarHBondContact O-CG1 3.5Å; F367-I371 PolarHBondContact O-N 3.36Å; V368-I371 PolarHBondContact O-N 2.75Å; I371-K373 PolarHBondContact O-N 3.16Å; I371-K374 CarbonylContact O-C 3.6Å; I371-K374 WeakPolarHBondContact O-CB 3.37Å; I371-K374 PolarHBondContact O-N 3.18Å; I371-K374 VanDerWaalsContact O-N 3.11Å; I371-V375 HydrophobicContact CG2-CG2 4.39Å; I371-V375 WeakPolarHBondContact O-CG2 3.36Å; I371-V375 PolarHBondContact O-N 2.92Å
372M96.8Very high95Very high37 Ų3760.8 Ų60.818%0.18230%0.302CS..Hα-helixtrans-65.9-39-177.7-68.3-53.6-66.700112V368 D370 K374 V375 T376 I407 T408 T411V368-M372 HydrophobicContact CG1-CG 4.17Å; V368-M372 VanDerWaalsContact O-CB 3.29Å; V368-M372 WeakPolarHBondContact O-CB 3.43Å; V368-M372 VanDerWaalsContact O-CG 3.26Å; V368-M372 WeakPolarHBondContact O-CG 3.33Å; V368-M372 PolarHBondContact O-N 2.93Å; D370-M372 PolarHBondContact O-N 2.88Å; M372-K374 VanDerWaalsContact C-N 3.31Å; M372-K374 PolarHBondContact O-N 3.48Å; M372-V375 PolarHBondContact O-N 3.14Å; M372-T376 HydrophobicContact CE-CG2 3.95Å; M372-T376 WeakPolarHBondContact O-CB 3.31Å; M372-T376 WeakPolarHBondContact O-CG2 3.4Å; M372-T376 PolarHBondContact O-N 3.33Å; M372-T376 PolarHBondContact O-OG1 3.16Å; M372-I407 HydrophobicContact CE-CG2 3.86Å; M372-T408 HydrophobicContact CB-CG2 4.08Å; M372-T411 HydrophobicContact CE-CG2 4.24Å; M372-T411 HydrophobicContact CG-CG2 3.8Å; M372-T411 HydrophobicContact SD-CG2 4.05Å
373K94.1Very high94.8Very high47 Ų4765.5 Ų65.520%0.20433%0.327CS..Hα-helixtrans-63.3-35.4172.3-73.3-179.7-176.9-172.50112.3R369 D370 I371 V375 I377 Y404 T408 Y409R369-K373 HydrophobicContact CG-CD 4.39Å; R369-K373 WeakPolarHBondContact O-CB 3.46Å; R369-K373 VanDerWaalsContact O-CG 3.28Å; R369-K373 WeakPolarHBondContact O-CG 3.47Å; R369-K373 PolarHBondContact O-N 2.68Å; R369-K373 VanDerWaalsContact O-N 3.07Å; D370-K373 PolarHBondContact O-N 3.02Å; I371-K373 PolarHBondContact O-N 3.16Å; K373-V375 VanDerWaalsContact C-N 3.35Å; K373-I377 HydrophobicContact CB-CD1 4.2Å; K373-I377 WeakPolarHBondContact O-CB 3.33Å; K373-I377 WeakPolarHBondContact O-CD1 3.15Å; K373-I377 WeakPolarHBondContact O-CG1 3.34Å; K373-I377 PolarHBondContact O-N 3.24Å; K373-Y404 HydrophobicContact CG-CD2 4.46Å; K373-T408 HydrophobicContact CD-CG2 4.39Å; K373-T408 HydrophobicContact CG-CG2 3.73Å; K373-Y409 PolarHBondContact NZ-OH 3.14Å
374K93.7Very high94.4Very high135 Ų13565 Ų6559%0.58732%0.32SS*.Hα-helixtrans-70.2-25.9174.7-74.1167.8177.8167.30113.7D370 I371 M372 P378D370-K374 VanDerWaalsContact CG-NZ 3.26Å; D370-K374 WeakPolarHBondContact O-CB 3.25Å; D370-K374 WeakPolarHBondContact O-CG 3.25Å; D370-K374 PolarHBondContact O-N 2.77Å; D370-K374 WeakPolarHBondContact OD1-CE 3.2Å; D370-K374 IonicContact OD1-NZ 3.48Å; D370-K374 PolarHBondContact OD1-NZ 3.45Å; D370-K374 VanDerWaalsContact OD1-NZ 3.09Å; D370-K374 WeakPolarHBondContact OD2-CE 3.48Å; D370-K374 IonicContact OD2-NZ 2.73Å; D370-K374 PolarHBondContact OD2-NZ 3.39Å; I371-K374 CarbonylContact O-C 3.6Å; I371-K374 WeakPolarHBondContact O-CB 3.37Å; I371-K374 PolarHBondContact O-N 3.18Å; I371-K374 VanDerWaalsContact O-N 3.11Å; M372-K374 VanDerWaalsContact C-N 3.31Å; M372-K374 PolarHBondContact O-N 3.48Å; K374-P378 WeakPolarHBondContact O-CD 3.47Å; K374-P378 WeakPolarHBondContact O-CG 3.1Å
375V95Very high94Very high79 Ų7966 Ų6648%0.47934%0.341SS..Hα-helixtrans-89.6-49.2177.6172.20000112I371 M372 K373 L379I371-V375 HydrophobicContact CG2-CG2 4.39Å; I371-V375 WeakPolarHBondContact O-CG2 3.36Å; I371-V375 PolarHBondContact O-N 2.92Å; M372-V375 PolarHBondContact O-N 3.14Å; K373-V375 VanDerWaalsContact C-N 3.35Å; V375-L379 VanDerWaalsContact O-CB 3.25Å; V375-L379 WeakPolarHBondContact O-CB 3.28Å; V375-L379 PolarHBondContact O-N 3.37Å
376T94.4Very high93.4Very high5 Ų567 Ų673%0.03135%0.346CS..Hα-helixtrans-74.6-34.5-169.559.40000113.3M372 L379 A380 Y404 I407 T408M372-T376 HydrophobicContact CE-CG2 3.95Å; M372-T376 WeakPolarHBondContact O-CB 3.31Å; M372-T376 WeakPolarHBondContact O-CG2 3.4Å; M372-T376 PolarHBondContact O-N 3.33Å; M372-T376 PolarHBondContact O-OG1 3.16Å; T376-L379 PolarHBondContact O-N 3.38Å; T376-A380 WeakPolarHBondContact O-CB 3.33Å; T376-A380 PolarHBondContact O-N 3.21Å; T376-Y404 WeakPolarHBondContact OG1-CB 3.48Å; T376-I407 HydrophobicContact CG2-CB 3.9Å; T376-I407 HydrophobicContact CG2-CG2 3.58Å; T376-T408 PolarHBondContact OG1-OG1 3.25Å
377I92.4Very high92.7Very high2 Ų268 Ų681%0.0136%0.357CS..Hα-helixtrans-68.2-51.1-178.9-62.8167.3000111.3K373 L379 A380 C381 L391 R395 V400 Y404K373-I377 HydrophobicContact CB-CD1 4.2Å; K373-I377 WeakPolarHBondContact O-CB 3.33Å; K373-I377 WeakPolarHBondContact O-CD1 3.15Å; K373-I377 WeakPolarHBondContact O-CG1 3.34Å; K373-I377 PolarHBondContact O-N 3.24Å; I377-L379 VanDerWaalsContact C-N 3.29Å; I377-L379 PolarHBondContact O-N 3.17Å; I377-A380 PolarHBondContact O-N 2.93Å; I377-C381 PolarHBondContact O-N 3.08Å; I377-L391 HydrophobicContact CG2-CD2 4.01Å; I377-R395 HydrophobicContact CD1-CG 4.29Å; I377-V400 HydrophobicContact CG2-CG1 4.09Å; I377-Y404 HydrophobicContact CD1-CD1 4.19Å; I377-Y404 HydrophobicContact CD1-CD2 4.15Å; I377-Y404 HydrophobicContact CD1-CG 4.06Å; I377-Y404 HydrophobicContact CG1-CD1 3.78Å; I377-Y404 HydrophobicContact CG1-CD2 4.06Å; I377-Y404 HydrophobicContact CG1-CG 3.55Å
378P91.9Very high91.7Very high61 Ų6163.9 Ų63.940%0.39634%0.344SS..Hα-helixtrans-64.6-32.5174.8-23.236.3000113.2K374 K382K374-P378 WeakPolarHBondContact O-CD 3.47Å; K374-P378 WeakPolarHBondContact O-CG 3.1Å; P378-K382 WeakPolarHBondContact O-CB 3.22Å; P378-K382 PolarHBondContact O-N 2.98Å
379L93Very high90.7Very high104 Ų10471.9 Ų71.955%0.54538%0.38SS..Hα-helixtrans-64.3-44.1174.8-179.260.8000111.6V375 T376 I377 K382 L383V375-L379 VanDerWaalsContact O-CB 3.25Å; V375-L379 WeakPolarHBondContact O-CB 3.28Å; V375-L379 PolarHBondContact O-N 3.37Å; T376-L379 PolarHBondContact O-N 3.38Å; I377-L379 VanDerWaalsContact C-N 3.29Å; I377-L379 PolarHBondContact O-N 3.17Å; L379-K382 PolarHBondContact O-N 3.23Å; L379-L383 WeakPolarHBondContact O-CB 3.32Å; L379-L383 PolarHBondContact O-N 3.04Å
380A92.1Very high89.9Confident6 Ų672.9 Ų72.95%0.0539%0.39CS..Hα-helixtrans-67.4-44.9175.900000111.8T376 I377 K382 L383 F384 V400T376-A380 WeakPolarHBondContact O-CB 3.33Å; T376-A380 PolarHBondContact O-N 3.21Å; I377-A380 PolarHBondContact O-N 2.93Å; A380-K382 VanDerWaalsContact C-N 3.26Å; A380-K382 PolarHBondContact O-N 2.87Å; A380-L383 PolarHBondContact O-N 3.29Å; A380-L383 VanDerWaalsContact O-N 3.14Å; A380-F384 VanDerWaalsContact O-CD2 3.31Å; A380-F384 WeakPolarHBondContact O-CD2 3.25Å; A380-F384 PolarHBondContact O-N 3.37Å; A380-V400 HydrophobicContact CB-CB 4.29Å; A380-V400 HydrophobicContact CB-CG1 4.31Å; A380-V400 HydrophobicContact CB-CG2 3.99Å
381C91.2Very high89.1Confident5 Ų573.2 Ų73.23%0.03439%0.391CS..Hα-helixtrans-49.5-48.8170.7-80.30000111.3I377 G385 I386 C388I377-C381 PolarHBondContact O-N 3.08Å; C381-G385 CarbonylContact O-C 3.58Å; C381-G385 PolarHBondContact O-N 2.97Å; C381-I386 PolarHBondContact O-N 3.21Å; C381-C388 HydrophobicContact CB-CB 3.59Å; C381-C388 WeakPolarHBondContact CB-SG 3.2Å; C381-C388 WeakPolarHBondContact SG-CB 3.4Å; C381-C388 CovalentContact SG-SG 2.05Å; C381-C388 PolarHBondContact SG-SG 3.33Å
382K91.7Very high88.1Confident180 Ų18079 Ų7978%0.78341%0.408SS*.Hα-helixtrans-67.7-38.5-179.7-175.7177.8178.2-178.20113P378 L379 A380P378-K382 WeakPolarHBondContact O-CB 3.22Å; P378-K382 PolarHBondContact O-N 2.98Å; L379-K382 PolarHBondContact O-N 3.23Å; A380-K382 VanDerWaalsContact C-N 3.26Å; A380-K382 PolarHBondContact O-N 2.87Å
383L92.5Very high87.2Confident130 Ų13082.8 Ų82.868%0.68143%0.426SS*.Hα-helixtrans-69.1-36.6-178.6-17562.4000112.4L379 A380L379-L383 WeakPolarHBondContact O-CB 3.32Å; L379-L383 PolarHBondContact O-N 3.04Å; A380-L383 PolarHBondContact O-N 3.29Å; A380-L383 VanDerWaalsContact O-N 3.14Å
384F90.1Very high86.5Confident99 Ų9980.7 Ų80.743%0.43442%0.417SS..Hα-helixtrans-102.66-177.9-61.3-71.5000114.1A380 I386 E399 P403A380-F384 VanDerWaalsContact O-CD2 3.31Å; A380-F384 WeakPolarHBondContact O-CD2 3.25Å; A380-F384 PolarHBondContact O-N 3.37Å; F384-I386 VanDerWaalsContact C-N 3.3Å; F384-I386 HydrophobicContact CB-CD1 4.25Å; F384-I386 HydrophobicContact CB-CG1 4.1Å; F384-I386 PolarHBondContact O-N 3.38Å; F384-E399 HydrophobicContact CB-CB 4.05Å; F384-E399 HydrophobicContact CD1-CB 4.1Å; F384-E399 HydrophobicContact CD1-CG 4.42Å; F384-E399 HydrophobicContact CD2-CB 3.84Å; F384-E399 WeakPolarHBondContact CD2-O 3.47Å; F384-E399 HydrophobicContact CE2-CB 4.32Å; F384-E399 WeakPolarHBondContact CE2-O 3.14Å; F384-E399 HydrophobicContact CG-CB 3.73Å; F384-E399 HydrophobicContact CG-CG 4.45Å; F384-P403 HydrophobicContact CE2-CG 4.27Å
385G87.4Confident85.9Confident65 Ų6578.3 Ų78.367%0.6740%0.404SS*.THydrogen-bonded Turntrans70.618.2176.400000115.3C381C381-G385 CarbonylContact O-C 3.58Å; C381-G385 PolarHBondContact O-N 2.97Å
386I85.1Confident85.1Confident22 Ų2278.7 Ų78.711%0.11340%0.401CS..  trans-83.9128.2-172.4-57.9-170.3000110.6C381 F384 C388 H397 E399 V400C381-I386 PolarHBondContact O-N 3.21Å; F384-I386 VanDerWaalsContact C-N 3.3Å; F384-I386 HydrophobicContact CB-CD1 4.25Å; F384-I386 HydrophobicContact CB-CG1 4.1Å; F384-I386 PolarHBondContact O-N 3.38Å; I386-C388 PolarHBondContact O-N 3.47Å; I386-H397 HydrophobicContact CD1-CB 3.62Å; I386-E399 HydrophobicContact CD1-CB 4.16Å; I386-V400 HydrophobicContact CD1-CG2 4.07Å
387P82Confident84.5Confident99 Ų9982.1 Ų82.164%0.64342%0.416SS*.  trans-61.6104179.1-24.635000112.9H389P387-H389 PolarHBondContact O-N 3.34Å
388C76.3Confident84.1Confident44 Ų4485.2 Ų85.230%0.29743%0.431SS..THydrogen-bonded Turntrans-79.727.6-173.8-132.60000113.9C381 I386C381-C388 HydrophobicContact CB-CB 3.59Å; C381-C388 WeakPolarHBondContact CB-SG 3.2Å; C381-C388 WeakPolarHBondContact SG-CB 3.4Å; C381-C388 CovalentContact SG-SG 2.05Å; C381-C388 PolarHBondContact SG-SG 3.33Å; I386-C388 PolarHBondContact O-N 3.47Å
389H75.5Confident83.8Confident186 Ų18685.8 Ų85.886%0.86143%0.429SS*.THydrogen-bonded Turntrans-73-39.3-175.4-70.2-63.5000113.2P387P387-H389 PolarHBondContact O-N 3.34Å
390D80.2Confident83.6Confident79 Ų7980.9 Ų80.942%0.42240%0.403SS..SBendtrans-110.5112.1163.9-175.70.1000109.5R392 Q393 A394D390-R392 PolarHBondContact O-N 3.37Å; D390-R392 WeakPolarHBondContact OD1-CB 3.45Å; D390-R392 PolarHBondContact OD1-N 2.89Å; D390-Q393 HydrophobicContact CB-CB 4.16Å; D390-Q393 PolarHBondContact O-N 3.48Å; D390-A394 WeakPolarHBondContact O-CB 3.38Å; D390-A394 PolarHBondContact O-N 2.99Å
391L78.4Confident83.5Confident80 Ų8081.1 Ų81.142%0.41940%0.403SS..THydrogen-bonded Turntrans-65.8-12.3176.6-68.1175000113.5I377 R395I377-L391 HydrophobicContact CG2-CD2 4.01Å; L391-R395 WeakPolarHBondContact O-CD 3.34Å; L391-R395 WeakPolarHBondContact O-CG 3.37Å; L391-R395 PolarHBondContact O-NE 2.98Å; L391-R395 VanDerWaalsContact O-NE 3.15Å
392R76.1Confident83.4Confident193 Ų19381.8 Ų81.873%0.72841%0.406SS*.THydrogen-bonded Turntrans-79.8-54.4170.7-62.8-179.4175.6-176.4-0.8110.5D390 A394 R395 Q396D390-R392 PolarHBondContact O-N 3.37Å; D390-R392 WeakPolarHBondContact OD1-CB 3.45Å; D390-R392 PolarHBondContact OD1-N 2.89Å; R392-A394 VanDerWaalsContact C-N 3.31Å; R392-A394 PolarHBondContact O-N 3.16Å; R392-R395 PolarHBondContact O-N 2.81Å; R392-Q396 PolarHBondContact O-N 2.85Å
393Q78Confident83.5Confident118 Ų11875.1 Ų75.155%0.55138%0.381SS*.Hα-helixtrans-59.2-43.3177-168.2176.715.200111.2D390 R395 Q396 H397D390-Q393 HydrophobicContact CB-CB 4.16Å; D390-Q393 PolarHBondContact O-N 3.48Å; Q393-R395 PolarHBondContact O-N 3.25Å; Q393-R395 VanDerWaalsContact O-N 3.16Å; Q393-Q396 WeakPolarHBondContact O-CB 3.26Å; Q393-Q396 PolarHBondContact O-N 3.21Å; Q393-H397 PolarHBondContact O-CD2 2.96Å
394A79.8Confident83.5Confident2 Ų269.7 Ų69.72%0.01735%0.352CS..Hα-helixtrans-56.4-32.7175.500000113.2D390 R392 V400D390-A394 WeakPolarHBondContact O-CB 3.38Å; D390-A394 PolarHBondContact O-N 2.99Å; R392-A394 VanDerWaalsContact C-N 3.31Å; R392-A394 PolarHBondContact O-N 3.16Å; A394-V400 WeakPolarHBondContact O-CB 3.25Å; A394-V400 VanDerWaalsContact O-CG1 3.28Å; A394-V400 WeakPolarHBondContact O-CG1 3.35Å
395R81.2Confident83.6Confident86 Ų8665.6 Ų65.633%0.32533%0.334SS..Hα-helixtrans-79.8-12.7177.3-69.7169-164.1-168.4-2.4114.3I377 L391 R392 Q393 H397 Y404I377-R395 HydrophobicContact CD1-CG 4.29Å; L391-R395 WeakPolarHBondContact O-CD 3.34Å; L391-R395 WeakPolarHBondContact O-CG 3.37Å; L391-R395 PolarHBondContact O-NE 2.98Å; L391-R395 VanDerWaalsContact O-NE 3.15Å; R392-R395 PolarHBondContact O-N 2.81Å; Q393-R395 PolarHBondContact O-N 3.25Å; Q393-R395 VanDerWaalsContact O-N 3.16Å; R395-H397 VanDerWaalsContact C-N 3.33Å; R395-Y404 HydrophobicContact CB-CE1 4.08Å; R395-Y404 HydrophobicContact CG-CD1 4.3Å; R395-Y404 HydrophobicContact CG-CE1 3.72Å
396Q78.1Confident84Confident87 Ų8764 Ų6441%0.40731%0.308SS..Hα-helixtrans-81-18.6174.6-67.1170.4-40.100111.6L102 R392 Q393L102-Q396 PolarHBondContact O-NE2 3.03Å; R392-Q396 PolarHBondContact O-N 2.85Å; Q393-Q396 WeakPolarHBondContact O-CB 3.26Å; Q393-Q396 PolarHBondContact O-N 3.21Å
397H81.4Confident84.6Confident76 Ų7666.6 Ų66.635%0.35232%0.321SS..SBendtrans-71.9125.9170.7-72.6-86000110.8I386 Q393 R395 E399 V400 E401I386-H397 HydrophobicContact CD1-CB 3.62Å; Q393-H397 PolarHBondContact O-CD2 2.96Å; R395-H397 VanDerWaalsContact C-N 3.33Å; H397-E399 PolarHBondContact O-N 3.43Å; H397-V400 PolarHBondContact O-N 3.4Å; H397-E401 PolarHBondContact O-N 3.08Å
398M84.3Confident85.3Confident67 Ų6761.9 Ų61.933%0.3329%0.29SS..Hα-helixtrans-57.4-37.5-178.8-179.6-17668.100112.2R305 V400 E401 L402R305-M398 PolarHBondContact NH1-SD 2.95Å; M398-V400 PolarHBondContact O-N 3.27Å; M398-E401 PolarHBondContact O-N 2.97Å; M398-L402 HydrophobicContact CG-CD1 3.35Å; M398-L402 HydrophobicContact CG-CG 3.97Å; M398-L402 WeakPolarHBondContact O-CG 3.42Å; M398-L402 PolarHBondContact O-N 3.29Å; M398-L402 HydrophobicContact SD-CD1 4.14Å
399E85.6Confident86.3Confident74 Ų7460.1 Ų60.135%0.34628%0.277SS..Hα-helixtrans-63.6-24.4179.6-56.972.6-158.500112.1F384 I386 H397 P403F384-E399 HydrophobicContact CB-CB 4.05Å; F384-E399 HydrophobicContact CD1-CB 4.1Å; F384-E399 HydrophobicContact CD1-CG 4.42Å; F384-E399 HydrophobicContact CD2-CB 3.84Å; F384-E399 WeakPolarHBondContact CD2-O 3.47Å; F384-E399 HydrophobicContact CE2-CB 4.32Å; F384-E399 WeakPolarHBondContact CE2-O 3.14Å; F384-E399 HydrophobicContact CG-CB 3.73Å; F384-E399 HydrophobicContact CG-CG 4.45Å; I386-E399 HydrophobicContact CD1-CB 4.16Å; H397-E399 PolarHBondContact O-N 3.43Å; E399-P403 VanDerWaalsContact O-CD 3.29Å; E399-P403 WeakPolarHBondContact O-CD 3.21Å; E399-P403 VanDerWaalsContact O-CG 3.3Å; E399-P403 WeakPolarHBondContact O-CG 3.11Å
400V89.3Confident87.4Confident0 Ų051.9 Ų51.90%024%0.243CC..Hα-helixtrans-98.8-43.2174.9169.10000111.1I377 A380 I386 A394 H397 M398 Y404I377-V400 HydrophobicContact CG2-CG1 4.09Å; A380-V400 HydrophobicContact CB-CB 4.29Å; A380-V400 HydrophobicContact CB-CG1 4.31Å; A380-V400 HydrophobicContact CB-CG2 3.99Å; I386-V400 HydrophobicContact CD1-CG2 4.07Å; A394-V400 WeakPolarHBondContact O-CB 3.25Å; A394-V400 VanDerWaalsContact O-CG1 3.28Å; A394-V400 WeakPolarHBondContact O-CG1 3.35Å; H397-V400 PolarHBondContact O-N 3.4Å; M398-V400 PolarHBondContact O-N 3.27Å; V400-Y404 HydrophobicContact CG1-CD1 4.19Å; V400-Y404 WeakPolarHBondContact O-CB 3.34Å; V400-Y404 VanDerWaalsContact O-CD1 3.26Å; V400-Y404 WeakPolarHBondContact O-CD1 3.28Å; V400-Y404 PolarHBondContact O-N 3.29Å
401E88.4Confident88.2Confident12 Ų1250.2 Ų50.26%0.05624%0.235CC..Hα-helixtrans-59.3-54.2-175.4-169.4175-160.700112.5H397 M398 Y404 R405H397-E401 PolarHBondContact O-N 3.08Å; M398-E401 PolarHBondContact O-N 2.97Å; E401-Y404 HydrophobicContact CB-CE1 4.31Å; E401-Y404 HydrophobicContact CG-CE1 4Å; E401-Y404 PolarHBondContact O-N 3.3Å; E401-R405 HydrophobicContact CG-CG 4.25Å; E401-R405 WeakPolarHBondContact O-CB 3.21Å; E401-R405 WeakPolarHBondContact O-CG 3.41Å; E401-R405 PolarHBondContact O-N 2.95Å; E401-R405 IonicContact OE1-CZ 2.74Å; E401-R405 IonicContact OE1-NE 2.66Å; E401-R405 PolarHBondContact OE1-NE 3.28Å; E401-R405 IonicContact OE1-NH2 3.2Å; E401-R405 PolarHBondContact OE1-NH2 2.9Å
402L90.5Very high89.2Confident19 Ų1946.6 Ų46.610%0.09922%0.217CC..Hα-helixtrans-67.5-45.2-170.1-49.3174.1000111.4F296 R305 A309 M398 Y406F296-L402 HydrophobicContact CD1-CD1 4.08Å; F296-L402 HydrophobicContact CD1-CD2 4.43Å; F296-L402 HydrophobicContact CD2-CD1 3.58Å; F296-L402 HydrophobicContact CE1-CD1 4.13Å; F296-L402 HydrophobicContact CE1-CD2 3.88Å; F296-L402 HydrophobicContact CE2-CB 4.37Å; F296-L402 HydrophobicContact CE2-CD1 3.63Å; F296-L402 HydrophobicContact CE2-CD2 4.44Å; F296-L402 HydrophobicContact CE2-CG 4.37Å; F296-L402 HydrophobicContact CG-CD1 3.85Å; F296-L402 HydrophobicContact CZ-CB 4.45Å; F296-L402 HydrophobicContact CZ-CD1 3.92Å; F296-L402 HydrophobicContact CZ-CD2 3.89Å; F296-L402 HydrophobicContact CZ-CG 4.31Å; R305-L402 HydrophobicContact CB-CD2 4.02Å; R305-L402 WeakPolarHBondContact O-CD2 3.35Å; A309-L402 HydrophobicContact CB-CB 4.23Å; A309-L402 HydrophobicContact CB-CD2 3.96Å; M398-L402 HydrophobicContact CG-CD1 3.35Å; M398-L402 HydrophobicContact CG-CG 3.97Å; M398-L402 WeakPolarHBondContact O-CG 3.42Å; M398-L402 PolarHBondContact O-N 3.29Å; M398-L402 HydrophobicContact SD-CD1 4.14Å; L402-Y406 VanDerWaalsContact O-CB 3.25Å; L402-Y406 WeakPolarHBondContact O-CB 3.4Å; L402-Y406 PolarHBondContact O-N 3.29Å
403P92.3Very high90.2Very high40 Ų4037.4 Ų37.426%0.2618%0.182SC..Hα-helixtrans-67.4-39.3175.1-23.437.9000113.2F384 E399 I407F384-P403 HydrophobicContact CE2-CG 4.27Å; E399-P403 VanDerWaalsContact O-CD 3.29Å; E399-P403 WeakPolarHBondContact O-CD 3.21Å; E399-P403 VanDerWaalsContact O-CG 3.3Å; E399-P403 WeakPolarHBondContact O-CG 3.11Å; P403-I407 WeakPolarHBondContact O-CB 3.19Å; P403-I407 WeakPolarHBondContact O-CD1 3.36Å; P403-I407 VanDerWaalsContact O-CG1 3.25Å; P403-I407 WeakPolarHBondContact O-CG1 3.4Å; P403-I407 PolarHBondContact O-N 3.32Å
404Y92.9Very high91.2Very high15 Ų1535.2 Ų35.26%0.05917%0.171CC..Hα-helixtrans-65.1-44.7178.699.8-118.3000110.9K373 T376 I377 R395 V400 E401 T408K373-Y404 HydrophobicContact CG-CD2 4.46Å; T376-Y404 WeakPolarHBondContact OG1-CB 3.48Å; I377-Y404 HydrophobicContact CD1-CD1 4.19Å; I377-Y404 HydrophobicContact CD1-CD2 4.15Å; I377-Y404 HydrophobicContact CD1-CG 4.06Å; I377-Y404 HydrophobicContact CG1-CD1 3.78Å; I377-Y404 HydrophobicContact CG1-CD2 4.06Å; I377-Y404 HydrophobicContact CG1-CG 3.55Å; R395-Y404 HydrophobicContact CB-CE1 4.08Å; R395-Y404 HydrophobicContact CG-CD1 4.3Å; R395-Y404 HydrophobicContact CG-CE1 3.72Å; V400-Y404 HydrophobicContact CG1-CD1 4.19Å; V400-Y404 WeakPolarHBondContact O-CB 3.34Å; V400-Y404 VanDerWaalsContact O-CD1 3.26Å; V400-Y404 WeakPolarHBondContact O-CD1 3.28Å; V400-Y404 PolarHBondContact O-N 3.29Å; E401-Y404 HydrophobicContact CB-CE1 4.31Å; E401-Y404 HydrophobicContact CG-CE1 4Å; E401-Y404 PolarHBondContact O-N 3.3Å; Y404-T408 WeakPolarHBondContact O-CB 3.06Å; Y404-T408 PolarHBondContact O-N 2.72Å; Y404-T408 PolarHBondContact O-OG1 2.85Å
405R93.8Very high92Very high13 Ų1335.3 Ų35.35%0.04917%0.172CC..Hα-helixtrans-64.9-52.8179.5-74.4-170.5-177.5-140.436.3110.6G306 D307 A309 E310 E401 I407 T408 Y409G306-R405 VanDerWaalsContact C-CZ 3.5Å; G306-R405 WeakPolarHBondContact O-CD 3.36Å; D307-R405 IonicContact OD1-CZ 3.2Å; D307-R405 IonicContact OD1-NH1 2.74Å; D307-R405 PolarHBondContact OD1-NH1 2.92Å; D307-R405 IonicContact OD1-NH2 3.51Å; D307-R405 PolarHBondContact OD1-NH2 2.96Å; A309-R405 HydrophobicContact CB-CB 4.25Å; E310-R405 HydrophobicContact CB-CB 4.32Å; E310-R405 IonicContact OE2-CZ 3.26Å; E310-R405 IonicContact OE2-NE 3.26Å; E310-R405 IonicContact OE2-NH1 2.83Å; E310-R405 PolarHBondContact OE2-NH1 2.91Å; E401-R405 HydrophobicContact CG-CG 4.25Å; E401-R405 WeakPolarHBondContact O-CB 3.21Å; E401-R405 WeakPolarHBondContact O-CG 3.41Å; E401-R405 PolarHBondContact O-N 2.95Å; E401-R405 IonicContact OE1-CZ 2.74Å; E401-R405 IonicContact OE1-NE 2.66Å; E401-R405 PolarHBondContact OE1-NE 3.28Å; E401-R405 IonicContact OE1-NH2 3.2Å; E401-R405 PolarHBondContact OE1-NH2 2.9Å; R405-I407 PolarHBondContact O-N 2.99Å; R405-T408 PolarHBondContact O-N 2.82Å; R405-Y409 WeakPolarHBondContact O-CB 3.31Å; R405-Y409 WeakPolarHBondContact O-CD2 3.5Å; R405-Y409 PolarHBondContact O-N 2.72Å
406Y95.8Very high92.8Very high32 Ų3231.6 Ų31.613%0.12516%0.158CC..Hα-helixtrans-55.9-49.6-178.6-172.7-92.1000112.7I285 H288 L289 A309 L312 L402 G410I285-Y406 PolarHBondContact O-OH 3.44Å; H288-Y406 HydrophobicContact CB-CE2 4.06Å; H288-Y406 WeakPolarHBondContact CB-OH 3.32Å; L289-Y406 HydrophobicContact CD2-CD1 3.94Å; L289-Y406 HydrophobicContact CD2-CD2 4.49Å; L289-Y406 HydrophobicContact CD2-CE1 3.59Å; L289-Y406 HydrophobicContact CD2-CE2 4.18Å; L289-Y406 HydrophobicContact CD2-CG 4.38Å; L289-Y406 HydrophobicContact CG-CE1 4.04Å; A309-Y406 WeakPolarHBondContact O-CA 3.49Å; L312-Y406 HydrophobicContact CB-CD2 4.39Å; L312-Y406 HydrophobicContact CB-CE2 4.15Å; L402-Y406 VanDerWaalsContact O-CB 3.25Å; L402-Y406 WeakPolarHBondContact O-CB 3.4Å; L402-Y406 PolarHBondContact O-N 3.29Å; Y406-G410 PolarHBondContact O-N 3.5Å
407I96.8Very high93.6Very high76 Ų7627.8 Ų27.839%0.3914%0.141SC..Hα-helixtrans-71.9-41.1-177.4-60.4168.4000111.6M372 T376 P403 R405 T411M372-I407 HydrophobicContact CE-CG2 3.86Å; T376-I407 HydrophobicContact CG2-CB 3.9Å; T376-I407 HydrophobicContact CG2-CG2 3.58Å; P403-I407 WeakPolarHBondContact O-CB 3.19Å; P403-I407 WeakPolarHBondContact O-CD1 3.36Å; P403-I407 VanDerWaalsContact O-CG1 3.25Å; P403-I407 WeakPolarHBondContact O-CG1 3.4Å; P403-I407 PolarHBondContact O-N 3.32Å; R405-I407 PolarHBondContact O-N 2.99Å; I407-T411 WeakPolarHBondContact O-CB 3.15Å; I407-T411 PolarHBondContact O-N 2.82Å; I407-T411 PolarHBondContact O-OG1 3.04Å
408T97.2Very high94.3Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-61.3-54.7177.9-62.80000110.8R369 M372 K373 T376 Y404 R405 T411 V412R369-T408 HydrophobicContact CG-CG2 3.96Å; M372-T408 HydrophobicContact CB-CG2 4.08Å; K373-T408 HydrophobicContact CD-CG2 4.39Å; K373-T408 HydrophobicContact CG-CG2 3.73Å; T376-T408 PolarHBondContact OG1-OG1 3.25Å; Y404-T408 WeakPolarHBondContact O-CB 3.06Å; Y404-T408 PolarHBondContact O-N 2.72Å; Y404-T408 PolarHBondContact O-OG1 2.85Å; R405-T408 PolarHBondContact O-N 2.82Å; T408-T411 PolarHBondContact O-N 3.14Å; T408-V412 WeakPolarHBondContact O-CG2 3.37Å; T408-V412 PolarHBondContact O-N 3.49Å
409Y97.2Very high94.9Very high7 Ų726.1 Ų26.13%0.02713%0.134CC..Hα-helixtrans-77.8-26.8-171.9-73.9-91.1000112.2E130 E310 K373 R405 V412 G413E130-Y409 WeakPolarHBondContact OE1-CE1 3.12Å; E130-Y409 VanDerWaalsContact OE1-CZ 3.31Å; E130-Y409 PolarHBondContact OE1-OH 3.16Å; E310-Y409 HydrophobicContact CB-CD2 4.44Å; E310-Y409 VanDerWaalsContact CD-CE2 3.4Å; E310-Y409 HydrophobicContact CG-CD1 3.78Å; E310-Y409 HydrophobicContact CG-CD2 3.68Å; E310-Y409 HydrophobicContact CG-CE1 4.02Å; E310-Y409 HydrophobicContact CG-CE2 3.95Å; E310-Y409 HydrophobicContact CG-CG 3.59Å; E310-Y409 WeakPolarHBondContact OE1-CE1 3.35Å; E310-Y409 PolarHBondContact OE1-OH 2.92Å; E310-Y409 VanDerWaalsContact OE2-CE2 3.28Å; E310-Y409 WeakPolarHBondContact OE2-CE2 3.46Å; K373-Y409 PolarHBondContact NZ-OH 3.14Å; R405-Y409 WeakPolarHBondContact O-CB 3.31Å; R405-Y409 WeakPolarHBondContact O-CD2 3.5Å; R405-Y409 PolarHBondContact O-N 2.72Å; Y409-V412 PolarHBondContact O-N 2.79Å; Y409-G413 PolarHBondContact O-N 3.41Å
410G97.9Very high95.4Very high13 Ų1322.7 Ų22.713%0.13412%0.118CC..Hα-helixtrans-63.3-40.4164.100000113.4G313 G317 Y406 G413 F414G313-G410 WeakPolarHBondContact O-CA 3.33Å; G317-G410 WeakPolarHBondContact CA-O 3.22Å; Y406-G410 PolarHBondContact O-N 3.5Å; G410-G413 PolarHBondContact O-N 2.88Å; G410-F414 VanDerWaalsContact O-CB 3.32Å; G410-F414 WeakPolarHBondContact O-CB 3.08Å; G410-F414 PolarHBondContact O-N 3.3Å
411T98.1Very high95.7Very high44 Ų4423.2 Ų23.227%0.2712%0.121SC..Hα-helixtrans-69.5-36176.2-52.80000112.1V368 M372 I407 T408 S415V368-T411 HydrophobicContact CG1-CG2 3.93Å; M372-T411 HydrophobicContact CE-CG2 4.24Å; M372-T411 HydrophobicContact CG-CG2 3.8Å; M372-T411 HydrophobicContact SD-CG2 4.05Å; I407-T411 WeakPolarHBondContact O-CB 3.15Å; I407-T411 PolarHBondContact O-N 2.82Å; I407-T411 PolarHBondContact O-OG1 3.04Å; T408-T411 PolarHBondContact O-N 3.14Å; T411-S415 WeakPolarHBondContact O-CB 3.43Å; T411-S415 PolarHBondContact O-N 3.3Å; T411-S415 PolarHBondContact O-OG 3.13Å
412V97.9Very high95.9Very high4 Ų428.6 Ų28.62%0.02414%0.142CC..Hα-helixtrans-62.9-48.9170.5167.20000111V365 V368 R369 T408 Y409 F414 S415 I416V365-V412 HydrophobicContact CG1-CG1 3.89Å; V368-V412 HydrophobicContact CG1-CG2 4.05Å; R369-V412 HydrophobicContact CB-CG2 3.8Å; R369-V412 HydrophobicContact CG-CG2 4.25Å; T408-V412 WeakPolarHBondContact O-CG2 3.37Å; T408-V412 PolarHBondContact O-N 3.49Å; Y409-V412 PolarHBondContact O-N 2.79Å; V412-F414 PolarHBondContact O-N 2.94Å; V412-S415 WeakPolarHBondContact O-CA 3.14Å; V412-S415 WeakPolarHBondContact O-CB 3.26Å; V412-S415 PolarHBondContact O-N 3.29Å; V412-S415 VanDerWaalsContact O-N 3.08Å; V412-I416 HydrophobicContact CG1-CD1 3.71Å; V412-I416 HydrophobicContact CG1-CG1 4.5Å; V412-I416 WeakPolarHBondContact O-CD1 3.45Å; V412-I416 WeakPolarHBondContact O-CG1 3.45Å; V412-I416 PolarHBondContact O-N 3.04Å
413G97.9Very high96.2Very high1 Ų130 Ų301%0.0115%0.149CC..Hα-helixtrans-60.1-42.8178.100000113.7I318 Y409 G410 S415 I416 T417I318-G413 WeakPolarHBondContact CG1-O 3.42Å; Y409-G413 PolarHBondContact O-N 3.41Å; G410-G413 PolarHBondContact O-N 2.88Å; G413-S415 VanDerWaalsContact C-N 3.33Å; G413-I416 PolarHBondContact O-N 3.49Å; G413-T417 PolarHBondContact O-N 2.86Å; G413-T417 PolarHBondContact O-OG1 3.47Å; G413-T417 VanDerWaalsContact O-OG1 3.05Å
414F98Very high96.3Very high72 Ų7228.2 Ų28.232%0.31614%0.137SC..Hα-helixtrans-61.3-42.6172-178.4-89.5000111.2G317 C320 G321 A324 G410 V412 I416 T417 F418G317-F414 VanDerWaalsContact C-N 3.33Å; G317-F414 VanDerWaalsContact O-CA 3.24Å; G317-F414 WeakPolarHBondContact O-CA 3.2Å; G317-F414 PolarHBondContact O-N 3.21Å; C320-F414 HydrophobicContact CB-CD2 4.13Å; G321-F414 VanDerWaalsContact N-CD2 3.34Å; A324-F414 HydrophobicContact CB-CE2 4.01Å; A324-F414 HydrophobicContact CB-CZ 4.11Å; G410-F414 VanDerWaalsContact O-CB 3.32Å; G410-F414 WeakPolarHBondContact O-CB 3.08Å; G410-F414 PolarHBondContact O-N 3.3Å; V412-F414 PolarHBondContact O-N 2.94Å; F414-I416 VanDerWaalsContact C-N 3.35Å; F414-I416 PolarHBondContact O-N 3.47Å; F414-T417 PolarHBondContact O-N 3.05Å; F414-T417 PolarHBondContact O-OG1 3.47Å; F414-F418 HydrophobicContact CD1-CB 4.49Å; F414-F418 HydrophobicContact CD1-CD1 4.46Å; F414-F418 HydrophobicContact CE1-CB 4.19Å; F414-F418 AromaticContact CE1-CD1 3.51Å; F414-F418 HydrophobicContact CE1-CD1 3.51Å; F414-F418 HydrophobicContact CE1-CE1 4.31Å; F414-F418 HydrophobicContact CE1-CG 4.17Å; F414-F418 HydrophobicContact CZ-CB 4.23Å; F414-F418 AromaticContact CZ-CD1 3.65Å; F414-F418 HydrophobicContact CZ-CD1 3.65Å; F414-F418 HydrophobicContact CZ-CE1 4.3Å; F414-F418 HydrophobicContact CZ-CG 4.07Å; F414-F418 WeakPolarHBondContact O-CB 3.29Å; F414-F418 PolarHBondContact O-N 2.95Å
415S97.5Very high96.2Very high4 Ų430.3 Ų30.33%0.02815%0.154CC..Iπ-helixtrans-65.3-36.9178.6-59.80000112.8T411 V412 G413 T417 L419 I420T411-S415 WeakPolarHBondContact O-CB 3.43Å; T411-S415 PolarHBondContact O-N 3.3Å; T411-S415 PolarHBondContact O-OG 3.13Å; V412-S415 WeakPolarHBondContact O-CA 3.14Å; V412-S415 WeakPolarHBondContact O-CB 3.26Å; V412-S415 PolarHBondContact O-N 3.29Å; V412-S415 VanDerWaalsContact O-N 3.08Å; G413-S415 VanDerWaalsContact C-N 3.33Å; S415-T417 VanDerWaalsContact C-N 3.33Å; S415-T417 PolarHBondContact O-N 2.92Å; S415-L419 PolarHBondContact O-N 2.88Å; S415-I420 VanDerWaalsContact O-CB 3.31Å; S415-I420 WeakPolarHBondContact O-CB 3.38Å; S415-I420 WeakPolarHBondContact O-CG1 3.38Å; S415-I420 PolarHBondContact O-N 3.16Å
416I97.2Very high96.1Very high8 Ų837.8 Ų37.84%0.04119%0.187CC..Iπ-helixtrans-62-38.4177.7-72.5156.3000112P138 I141 W142 V365 V412 G413 F414 P421P138-I416 HydrophobicContact CB-CG1 4.39Å; P138-I416 HydrophobicContact CB-CG2 3.98Å; P138-I416 HydrophobicContact CG-CD1 3.7Å; P138-I416 HydrophobicContact CG-CG1 3.86Å; P138-I416 HydrophobicContact CG-CG2 3.85Å; I141-I416 HydrophobicContact CD1-CG2 3.94Å; W142-I416 HydrophobicContact CZ2-CB 4.43Å; W142-I416 HydrophobicContact CZ2-CG1 4.19Å; W142-I416 HydrophobicContact CZ2-CG2 4.32Å; W142-I416 PolarHBondContact NE1-O 3.37Å; V365-I416 HydrophobicContact CG2-CD1 4.23Å; V365-I416 HydrophobicContact CG2-CG1 3.7Å; V412-I416 HydrophobicContact CG1-CD1 3.71Å; V412-I416 HydrophobicContact CG1-CG1 4.5Å; V412-I416 WeakPolarHBondContact O-CD1 3.45Å; V412-I416 WeakPolarHBondContact O-CG1 3.45Å; V412-I416 PolarHBondContact O-N 3.04Å; G413-I416 PolarHBondContact O-N 3.49Å; F414-I416 VanDerWaalsContact C-N 3.35Å; F414-I416 PolarHBondContact O-N 3.47Å; I416-P421 VanDerWaalsContact O-CD 3.25Å; I416-P421 WeakPolarHBondContact O-CD 3.49Å; I416-P421 WeakPolarHBondContact O-CG 3.48Å
417T96.2Very high96Very high6 Ų639.9 Ų39.94%0.03720%0.2CC..Iπ-helixtrans-97.2-20.1-175.742.60000114.8I141 I318 G321 S322 A325 G413 F414 S415I141-T417 HydrophobicContact CD1-CG2 3.99Å; I141-T417 HydrophobicContact CG2-CG2 4.47Å; I318-T417 HydrophobicContact CB-CG2 4.36Å; I318-T417 HydrophobicContact CG1-CG2 4.41Å; I318-T417 HydrophobicContact CG2-CG2 3.83Å; I318-T417 PolarHBondContact O-OG1 3.48Å; G321-T417 VanDerWaalsContact CA-OG1 3.28Å; G321-T417 WeakPolarHBondContact CA-OG1 3.38Å; S322-T417 PolarHBondContact N-OG1 3.15Å; A325-T417 WeakPolarHBondContact CB-O 3.47Å; G413-T417 PolarHBondContact O-N 2.86Å; G413-T417 PolarHBondContact O-OG1 3.47Å; G413-T417 VanDerWaalsContact O-OG1 3.05Å; F414-T417 PolarHBondContact O-N 3.05Å; F414-T417 PolarHBondContact O-OG1 3.47Å; S415-T417 VanDerWaalsContact C-N 3.33Å; S415-T417 PolarHBondContact O-N 2.92Å
418F96.3Very high95.8Very high38 Ų3838.6 Ų38.617%0.16721%0.205CC..Iπ-helixtrans-119.8-69-178.4179.9-107.9000113.4A324 A325 L328 I330 F414 I420 P421 Y422A324-F418 HydrophobicContact CB-CB 4.45Å; A324-F418 HydrophobicContact CB-CD2 3.58Å; A324-F418 HydrophobicContact CB-CE2 3.87Å; A324-F418 HydrophobicContact CB-CG 3.93Å; A324-F418 HydrophobicContact CB-CZ 4.47Å; A325-F418 HydrophobicContact CB-CD2 4.22Å; L328-F418 HydrophobicContact CD1-CE2 3.54Å; L328-F418 HydrophobicContact CD1-CZ 3.64Å; I330-F418 HydrophobicContact CD1-CD2 3.93Å; I330-F418 HydrophobicContact CD1-CE2 3.44Å; I330-F418 VanDerWaalsContact CD1-CE2 3.44Å; I330-F418 HydrophobicContact CD1-CZ 4.3Å; F414-F418 HydrophobicContact CD1-CB 4.49Å; F414-F418 HydrophobicContact CD1-CD1 4.46Å; F414-F418 HydrophobicContact CE1-CB 4.19Å; F414-F418 AromaticContact CE1-CD1 3.51Å; F414-F418 HydrophobicContact CE1-CD1 3.51Å; F414-F418 HydrophobicContact CE1-CE1 4.31Å; F414-F418 HydrophobicContact CE1-CG 4.17Å; F414-F418 HydrophobicContact CZ-CB 4.23Å; F414-F418 AromaticContact CZ-CD1 3.65Å; F414-F418 HydrophobicContact CZ-CD1 3.65Å; F414-F418 HydrophobicContact CZ-CE1 4.3Å; F414-F418 HydrophobicContact CZ-CG 4.07Å; F414-F418 WeakPolarHBondContact O-CB 3.29Å; F414-F418 PolarHBondContact O-N 2.95Å; F418-I420 PolarHBondContact O-N 2.85Å; F418-P421 WeakPolarHBondContact O-CD 3.43Å; F418-Y422 WeakPolarHBondContact O-CB 3.46Å; F418-Y422 PolarHBondContact O-N 2.7Å
419L95.8Very high95.6Very high71 Ų7139.4 Ų39.437%0.37221%0.21SC..Iπ-helixtrans-63.1-42.8-167.7-178.761.7000112.6S415 I423S415-L419 PolarHBondContact O-N 2.88Å; L419-I423 HydrophobicContact CD1-CD1 4.24Å; L419-I423 HydrophobicContact CG-CD1 4.1Å; L419-I423 WeakPolarHBondContact O-CD1 3.26Å; L419-I423 VanDerWaalsContact O-CG1 3.28Å; L419-I423 WeakPolarHBondContact O-CG1 3.41Å; L419-I423 PolarHBondContact O-N 2.81Å
420I96.5Very high95.1Very high1 Ų143.2 Ų43.21%0.00524%0.237CC..Hα-helixtrans-74.9-46.3-176.1-65.5169.3000111.2W142 L364 V365 S415 F418 Y422 I423 F424W142-I420 HydrophobicContact CH2-CD1 4.26Å; W142-I420 HydrophobicContact CH2-CG2 4.22Å; W142-I420 HydrophobicContact CZ2-CB 4.09Å; W142-I420 HydrophobicContact CZ2-CD1 3.83Å; W142-I420 HydrophobicContact CZ2-CG2 3.57Å; L364-I420 HydrophobicContact CB-CD1 3.81Å; L364-I420 HydrophobicContact CB-CG1 3.9Å; L364-I420 HydrophobicContact CD1-CG1 4.02Å; L364-I420 HydrophobicContact CD1-CG2 4.42Å; V365-I420 HydrophobicContact CG2-CD1 3.64Å; S415-I420 VanDerWaalsContact O-CB 3.31Å; S415-I420 WeakPolarHBondContact O-CB 3.38Å; S415-I420 WeakPolarHBondContact O-CG1 3.38Å; S415-I420 PolarHBondContact O-N 3.16Å; F418-I420 PolarHBondContact O-N 2.85Å; I420-Y422 VanDerWaalsContact C-N 3.31Å; I420-Y422 PolarHBondContact O-N 3.49Å; I420-I423 PolarHBondContact O-N 3.24Å; I420-I423 VanDerWaalsContact O-N 3.16Å; I420-F424 HydrophobicContact CG2-CD1 4.26Å; I420-F424 HydrophobicContact CG2-CD2 4.3Å; I420-F424 HydrophobicContact CG2-CE1 3.58Å; I420-F424 HydrophobicContact CG2-CE2 3.62Å; I420-F424 HydrophobicContact CG2-CZ 3.21Å; I420-F424 WeakPolarHBondContact O-CD1 3.5Å; I420-F424 VanDerWaalsContact O-CG 3.32Å; I420-F424 WeakPolarHBondContact O-CG 3.48Å; I420-F424 PolarHBondContact O-N 2.8Å
421P94.8Very high94.9Very high12 Ų1244.8 Ų44.88%0.07824%0.242CC..Hα-helixtrans-54.6-41.1167.7-30.537.9000114I330 I416 F418 I423 F424 S425I330-P421 HydrophobicContact CG2-CB 4.27Å; I416-P421 VanDerWaalsContact O-CD 3.25Å; I416-P421 WeakPolarHBondContact O-CD 3.49Å; I416-P421 WeakPolarHBondContact O-CG 3.48Å; F418-P421 WeakPolarHBondContact O-CD 3.43Å; P421-I423 PolarHBondContact O-N 3.46Å; P421-F424 PolarHBondContact O-N 3.03Å; P421-S425 PolarHBondContact O-N 2.66Å; P421-S425 PolarHBondContact O-OG 3.49Å
422Y94.1Very high94.8Very high124 Ų12444.8 Ų44.849%0.48624%0.241SC..Hα-helixtrans-60.4-44.4174.7-178.2-100.2000112.2I330 F418 I420 S425 F426I330-Y422 HydrophobicContact CD1-CD2 3.75Å; I330-Y422 HydrophobicContact CD1-CG 4.44Å; I330-Y422 HydrophobicContact CG1-CD2 4.29Å; F418-Y422 WeakPolarHBondContact O-CB 3.46Å; F418-Y422 PolarHBondContact O-N 2.7Å; I420-Y422 VanDerWaalsContact C-N 3.31Å; I420-Y422 PolarHBondContact O-N 3.49Å; Y422-S425 PolarHBondContact O-N 2.85Å; Y422-F426 WeakPolarHBondContact O-CB 3.35Å; Y422-F426 PolarHBondContact O-N 3.46Å
423I95.1Very high94.6Very high48 Ų4847.1 Ų47.125%0.24625%0.253CS..Hα-helixtrans-62.5-41.3174.5-69.8163.4000111.1L364 L419 I420 P421 S425 F426 I427L364-I423 HydrophobicContact CD1-CD1 3.86Å; L364-I423 HydrophobicContact CD1-CG2 4.23Å; L419-I423 HydrophobicContact CD1-CD1 4.24Å; L419-I423 HydrophobicContact CG-CD1 4.1Å; L419-I423 WeakPolarHBondContact O-CD1 3.26Å; L419-I423 VanDerWaalsContact O-CG1 3.28Å; L419-I423 WeakPolarHBondContact O-CG1 3.41Å; L419-I423 PolarHBondContact O-N 2.81Å; I420-I423 PolarHBondContact O-N 3.24Å; I420-I423 VanDerWaalsContact O-N 3.16Å; P421-I423 PolarHBondContact O-N 3.46Å; I423-S425 PolarHBondContact O-N 2.93Å; I423-F426 PolarHBondContact O-N 3.45Å; I423-I427 HydrophobicContact CG2-CD1 4.33Å; I423-I427 WeakPolarHBondContact O-CG1 3.4Å; I423-I427 PolarHBondContact O-N 2.9Å
424F95Very high94.4Very high4 Ų449.8 Ų49.82%0.01827%0.267CS..Hα-helixtrans-62.6-40.3177.3-65.4-15.9000112.9W142 R357 I360 I420 P421 G428 I429 S430W142-F424 HydrophobicContact CB-CE2 3.99Å; W142-F424 AromaticContact CD1-CE2 3.9Å; W142-F424 AromaticContact CD2-CE2 3.76Å; W142-F424 HydrophobicContact CD2-CE2 3.76Å; W142-F424 HydrophobicContact CD2-CZ 4.13Å; W142-F424 HydrophobicContact CE3-CE2 4.29Å; W142-F424 HydrophobicContact CE3-CZ 4.27Å; W142-F424 AromaticContact CG-CE2 3.62Å; W142-F424 HydrophobicContact CG-CE2 3.62Å; W142-F424 HydrophobicContact CG-CZ 4.44Å; R357-F424 HydrophobicContact CB-CD2 4.25Å; R357-F424 HydrophobicContact CB-CE1 4.4Å; R357-F424 HydrophobicContact CB-CE2 3.69Å; R357-F424 HydrophobicContact CB-CZ 3.78Å; R357-F424 HydrophobicContact CG-CD2 3.82Å; R357-F424 HydrophobicContact CG-CE2 3.79Å; R357-F424 HydrophobicContact CG-CG 4.21Å; R357-F424 HydrophobicContact CG-CZ 4.16Å; R357-F424 WeakPolarHBondContact O-CZ 3.44Å; I360-F424 HydrophobicContact CB-CE1 4.28Å; I360-F424 HydrophobicContact CG2-CE1 4.13Å; I420-F424 HydrophobicContact CG2-CD1 4.26Å; I420-F424 HydrophobicContact CG2-CD2 4.3Å; I420-F424 HydrophobicContact CG2-CE1 3.58Å; I420-F424 HydrophobicContact CG2-CE2 3.62Å; I420-F424 HydrophobicContact CG2-CZ 3.21Å; I420-F424 WeakPolarHBondContact O-CD1 3.5Å; I420-F424 VanDerWaalsContact O-CG 3.32Å; I420-F424 WeakPolarHBondContact O-CG 3.48Å; I420-F424 PolarHBondContact O-N 2.8Å; P421-F424 PolarHBondContact O-N 3.03Å; F424-G428 PolarHBondContact O-N 3Å; F424-G428 VanDerWaalsContact O-N 3.14Å; F424-I429 HydrophobicContact CB-CG1 3.88Å; F424-I429 HydrophobicContact CD1-CD1 3.72Å; F424-I429 HydrophobicContact CD1-CG1 3.91Å; F424-I429 HydrophobicContact CE1-CD1 4.15Å; F424-I429 HydrophobicContact CG-CD1 4.29Å; F424-I429 HydrophobicContact CG-CG1 4.04Å; F424-I429 PolarHBondContact O-N 2.85Å; F424-S430 PolarHBondContact O-N 3.14Å; F424-S430 VanDerWaalsContact O-N 3.14Å
425S91.9Very high94.2Very high59 Ų5948.4 Ų48.441%0.41326%0.264SS..Hα-helixtrans-65-43.7173.1-66.40000111.6P421 Y422 I423 I427 G428P421-S425 PolarHBondContact O-N 2.66Å; P421-S425 PolarHBondContact O-OG 3.49Å; Y422-S425 PolarHBondContact O-N 2.85Å; I423-S425 PolarHBondContact O-N 2.93Å; S425-I427 VanDerWaalsContact C-N 3.35Å; S425-I427 PolarHBondContact O-N 3.02Å; S425-G428 PolarHBondContact O-N 2.84Å; S425-G428 VanDerWaalsContact O-N 3.16Å
426F91.7Very high93.9Very high169 Ų16951.3 Ų51.374%0.74128%0.28SS*.Hα-helixtrans-61.5-38.3178.2-176.5-98.1000113.3Y422 I423Y422-F426 WeakPolarHBondContact O-CB 3.35Å; Y422-F426 PolarHBondContact O-N 3.46Å; I423-F426 PolarHBondContact O-N 3.45Å
427I93.5Very high93.7Very high77 Ų7754.4 Ų54.440%0.39530%0.297SS..THydrogen-bonded Turntrans-92.39.4177.573-171000113.7I360 I423 S425 I429I360-I427 HydrophobicContact CD1-CD1 3.96Å; I423-I427 HydrophobicContact CG2-CD1 4.33Å; I423-I427 WeakPolarHBondContact O-CG1 3.4Å; I423-I427 PolarHBondContact O-N 2.9Å; S425-I427 VanDerWaalsContact C-N 3.35Å; S425-I427 PolarHBondContact O-N 3.02Å; I427-I429 VanDerWaalsContact C-N 3.29Å; I427-I429 HydrophobicContact CD1-CD1 3.8Å; I427-I429 HydrophobicContact CD1-CG1 3.97Å; I427-I429 HydrophobicContact CG1-CB 4.38Å; I427-I429 HydrophobicContact CG1-CD1 4.17Å; I427-I429 HydrophobicContact CG1-CG1 3.76Å; I427-I429 HydrophobicContact CG1-CG2 4.06Å; I427-I429 PolarHBondContact O-N 3.49Å
428G92.4Very high93.5Very high49 Ų4958.2 Ų58.251%0.50532%0.317SS..THydrogen-bonded Turntrans72.79.3174.700000116.2K353 F424 S425K353-G428 WeakPolarHBondContact CE-O 3.29Å; K353-G428 PolarHBondContact NZ-O 3.37Å; F424-G428 PolarHBondContact O-N 3Å; F424-G428 VanDerWaalsContact O-N 3.14Å; S425-G428 PolarHBondContact O-N 2.84Å; S425-G428 VanDerWaalsContact O-N 3.16Å
429I92.5Very high93.3Very high17 Ų1759.8 Ų59.89%0.08733%0.33CS..  trans-96.6-0.7-177.676.9170000114.4L356 R357 I360 F424 I427L356-I429 HydrophobicContact CB-CD1 4.38Å; L356-I429 HydrophobicContact CD2-CD1 4.25Å; L356-I429 HydrophobicContact CD2-CG2 3.73Å; L356-I429 HydrophobicContact CG-CD1 3.88Å; R357-I429 HydrophobicContact CG-CD1 3.99Å; R357-I429 HydrophobicContact CG-CG1 4.14Å; R357-I429 PolarHBondContact NE-O 2.97Å; R357-I429 PolarHBondContact NH2-O 3.01Å; I360-I429 HydrophobicContact CD1-CD1 4.11Å; F424-I429 HydrophobicContact CB-CG1 3.88Å; F424-I429 HydrophobicContact CD1-CD1 3.72Å; F424-I429 HydrophobicContact CD1-CG1 3.91Å; F424-I429 HydrophobicContact CE1-CD1 4.15Å; F424-I429 HydrophobicContact CG-CD1 4.29Å; F424-I429 HydrophobicContact CG-CG1 4.04Å; F424-I429 PolarHBondContact O-N 2.85Å; I427-I429 VanDerWaalsContact C-N 3.29Å; I427-I429 HydrophobicContact CD1-CD1 3.8Å; I427-I429 HydrophobicContact CD1-CG1 3.97Å; I427-I429 HydrophobicContact CG1-CB 4.38Å; I427-I429 HydrophobicContact CG1-CD1 4.17Å; I427-I429 HydrophobicContact CG1-CG1 3.76Å; I427-I429 HydrophobicContact CG1-CG2 4.06Å; I427-I429 PolarHBondContact O-N 3.49Å
430S85.9Confident93Very high87 Ų8758.8 Ų58.861%0.60833%0.326SS*.  trans-53.70169-169.20000112.4K353 R357 F424K353-S430 PolarHBondContact NZ-O 2.79Å; R357-S430 PolarHBondContact NH2-O 3.12Å; R357-S430 PolarHBondContact NH2-OXT 3.25Å; F424-S430 PolarHBondContact O-N 3.14Å; F424-S430 VanDerWaalsContact O-N 3.14Å

Retrieved 430 of 430 residues in 718.6 ms (Link to these results)