A0A077Z844_TRITR Loading...

Patched family protein

AlphaFold DB , UniProt , Accession A0A077Z844, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 856 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
1M71.8Confident86.9Confident210 Ų21094.3 Ų94.3100%1.03443%0.431SS*.  0139.80-69.2176.2-171.400108.1Y3M1-Y3 HydrophobicContact CB-CE2 4.04Å
2R83Confident86.1Confident240 Ų24092.5 Ų92.591%0.90645%0.445SS*.  trans-93.1127.9169-73.4-176.7179.6177.40.1107.2
3Y85Confident85.2Confident102 Ų10294.3 Ų94.340%0.446%0.459SS..  trans-103.1130.7173.4-71.5-89000108.5M1 D7 L8 F90M1-Y3 HydrophobicContact CB-CE2 4.04Å; Y3-D7 HydrophobicContact CD1-CB 3.92Å; Y3-L8 HydrophobicContact CD1-CD2 4.13Å; Y3-F90 HydrophobicContact CE2-CE1 4.07Å; Y3-F90 HydrophobicContact CE2-CZ 4.3Å
4N88.4Confident84.8Confident107 Ų107104.1 Ų104.157%0.57249%0.488SS*.  trans-104.9172.6173.5-66.5-19.7000110M6 D7 L8N4-M6 PolarHBondContact O-N 3.42Å; N4-D7 PolarHBondContact N-OD2 2.89Å; N4-D7 WeakPolarHBondContact O-CB 3.27Å; N4-D7 PolarHBondContact O-N 2.86Å; N4-L8 PolarHBondContact O-N 3.41Å
5Y90.4Very high84.7Confident24 Ų24107.7 Ų107.79%0.09450%0.502CS..Hα-helixtrans-51.8-42.4175.8175.8-111.4000112.1D7 L8 C9 C16 Y17 Y78 Q79 L80 W94Y5-D7 PolarHBondContact O-N 3.46Å; Y5-D7 VanDerWaalsContact O-N 3.12Å; Y5-L8 CarbonylContact O-C 3.47Å; Y5-L8 PolarHBondContact O-N 2.95Å; Y5-C9 HydrophobicContact CD1-CB 4.36Å; Y5-C9 HydrophobicContact CD2-CB 4.37Å; Y5-C9 HydrophobicContact CE1-CB 3.86Å; Y5-C9 HydrophobicContact CE2-CB 3.86Å; Y5-C9 VanDerWaalsContact O-CB 3.3Å; Y5-C9 WeakPolarHBondContact O-CB 3.41Å; Y5-C9 PolarHBondContact O-N 3.01Å; Y5-C16 HydrophobicContact CE1-CB 4.07Å; Y5-Y17 WeakPolarHBondContact CE1-O 3.33Å; Y5-Y17 PolarHBondContact OH-O 3.25Å; Y5-Y78 HydrophobicContact CD1-CD1 4.38Å; Y5-Y78 HydrophobicContact CD2-CD1 4.25Å; Y5-Y78 HydrophobicContact CE1-CD1 4.15Å; Y5-Y78 HydrophobicContact CE2-CD1 4.03Å; Y5-Y78 HydrophobicContact CE2-CG 4.48Å; Y5-Y78 HydrophobicContact CG-CD1 4.44Å; Y5-Y78 AromaticContact CZ-CD1 4Å; Y5-Q79 PolarHBondContact OH-N 3.38Å; Y5-Q79 PolarHBondContact OH-O 2.98Å; Y5-Q79 VanDerWaalsContact OH-O 3.08Å; Y5-L80 HydrophobicContact CD2-CD2 3.9Å; Y5-L80 HydrophobicContact CE2-CD2 3.87Å; Y5-W94 AromaticContact CD2-CH2 3.9Å; Y5-W94 HydrophobicContact CD2-CH2 3.9Å; Y5-W94 AromaticContact CD2-CZ2 3.71Å; Y5-W94 HydrophobicContact CD2-CZ2 3.71Å; Y5-W94 HydrophobicContact CG-CZ2 4.2Å
6M89.6Confident85Confident93 Ų93102.5 Ų102.546%0.45848%0.481SS..Hα-helixtrans-62.8-21.3-178.5-62.2-63-179.900114.4N4 K11 C16N4-M6 PolarHBondContact O-N 3.42Å; M6-K11 WeakPolarHBondContact O-CE 3.25Å; M6-C16 HydrophobicContact SD-CB 3.73Å; M6-C16 PolarHBondContact SD-SG 2.88Å
7D89.4Confident85Confident70 Ų70101.9 Ų101.937%0.37447%0.474SS..Hα-helixtrans-84.5-28.6177.1-54.7-48.4000111.6Y3 N4 Y5 R81Y3-D7 HydrophobicContact CD1-CB 3.92Å; N4-D7 PolarHBondContact N-OD2 2.89Å; N4-D7 WeakPolarHBondContact O-CB 3.27Å; N4-D7 PolarHBondContact O-N 2.86Å; Y5-D7 PolarHBondContact O-N 3.46Å; Y5-D7 VanDerWaalsContact O-N 3.12Å; D7-R81 PolarHBondContact O-NH2 3.13Å
8L91.3Very high85Confident8 Ų8101.5 Ų101.54%0.04248%0.476CS..Hα-helixtrans-107.2-14.8-172.5-59.6178.3000113.8Y3 N4 Y5 L80 R81 F90 W94Y3-L8 HydrophobicContact CD1-CD2 4.13Å; N4-L8 PolarHBondContact O-N 3.41Å; Y5-L8 CarbonylContact O-C 3.47Å; Y5-L8 PolarHBondContact O-N 2.95Å; L8-L80 HydrophobicContact CB-CD2 4.11Å; L8-R81 PolarHBondContact O-N 2.81Å; L8-F90 HydrophobicContact CD1-CB 4.43Å; L8-F90 HydrophobicContact CD2-CB 3.74Å; L8-F90 HydrophobicContact CD2-CG 4.45Å; L8-W94 HydrophobicContact CD1-CB 3.69Å; L8-W94 HydrophobicContact CD1-CG 4Å
9C92.5Very high85.3Confident0 Ų096.4 Ų96.40%045%0.452CS..BIsolated β-bridgetrans-58.5148.9-176.577.30000112.4Y5 K11 C16 Q79 R81Y5-C9 HydrophobicContact CD1-CB 4.36Å; Y5-C9 HydrophobicContact CD2-CB 4.37Å; Y5-C9 HydrophobicContact CE1-CB 3.86Å; Y5-C9 HydrophobicContact CE2-CB 3.86Å; Y5-C9 VanDerWaalsContact O-CB 3.3Å; Y5-C9 WeakPolarHBondContact O-CB 3.41Å; Y5-C9 PolarHBondContact O-N 3.01Å; C9-K11 PolarHBondContact O-N 3.32Å; C9-K11 VanDerWaalsContact SG-CG 3.53Å; C9-C16 HydrophobicContact CB-CB 3.56Å; C9-C16 WeakPolarHBondContact CB-SG 3.47Å; C9-C16 VanDerWaalsContact SG-CA 3.53Å; C9-C16 WeakPolarHBondContact SG-CB 3.24Å; C9-C16 CovalentContact SG-SG 2Å; C9-C16 PolarHBondContact SG-SG 2.88Å; C9-Q79 WeakPolarHBondContact CA-O 3.47Å; C9-R81 VanDerWaalsContact O-CG 3.26Å; C9-R81 WeakPolarHBondContact O-CG 3.24Å
10L89.1Confident85.2Confident69 Ų6994.8 Ų94.836%0.36145%0.45SS..PPolyproline II helixtrans-67.3123.4163.8-169.770.6000108.9Q79 R81L10-Q79 HydrophobicContact CB-CB 4.12Å; L10-Q79 PolarHBondContact N-O 3.04Å; L10-R81 HydrophobicContact CD1-CG 4.34Å
11K85.6Confident85.2Confident114 Ų11491.1 Ų91.150%0.49643%0.433SS..EExtended strand (participates in β ladder)trans-99.7126.9-175.6-66.6-178.7-177.4-178.30111.3M6 C9 F15M6-K11 WeakPolarHBondContact O-CE 3.25Å; C9-K11 PolarHBondContact O-N 3.32Å; C9-K11 VanDerWaalsContact SG-CG 3.53Å; K11-F15 CarbonylContact C-O 3.6Å; K11-F15 VanDerWaalsContact CA-O 3.28Å; K11-F15 WeakPolarHBondContact CA-O 3.31Å
12A76.5Confident85.9Confident73 Ų7383.7 Ų83.760%0.60340%0.399SS*.EExtended strand (participates in β ladder)trans-109.5126.616600000108.5R14 F15A12-R14 PolarHBondContact O-N 2.58Å; A12-R14 VanDerWaalsContact O-N 3.11Å; A12-F15 PolarHBondContact N-O 3.12Å; A12-F15 PolarHBondContact O-N 2.99Å
13N75.5Confident86.1Confident116 Ų11676.1 Ų76.162%0.6238%0.381SS*.THydrogen-bonded Turntrans49.537.3-175.1-66.6-19.7000114.1F15N13-F15 HydrophobicContact CB-CD2 4.47Å; N13-F15 WeakPolarHBondContact O-CD2 3.44Å; N13-F15 WeakPolarHBondContact O-CE2 3.35Å; N13-F15 PolarHBondContact O-N 3.26Å
14R79.1Confident86.1Confident231 Ų23172.9 Ų72.987%0.87237%0.37SS*.THydrogen-bonded Turntrans71.5-0.2-175.2-50.3177.1176.8-178.7-0.9116A12A12-R14 PolarHBondContact O-N 2.58Å; A12-R14 VanDerWaalsContact O-N 3.11Å
15F83.7Confident86.1Confident158 Ų15868.2 Ų68.269%0.69335%0.345SS*.EExtended strand (participates in β ladder)trans-102.5145.4177.7-61.2-77.8000111.9K11 A12 N13K11-F15 CarbonylContact C-O 3.6Å; K11-F15 VanDerWaalsContact CA-O 3.28Å; K11-F15 WeakPolarHBondContact CA-O 3.31Å; A12-F15 PolarHBondContact N-O 3.12Å; A12-F15 PolarHBondContact O-N 2.99Å; N13-F15 HydrophobicContact CB-CD2 4.47Å; N13-F15 WeakPolarHBondContact O-CD2 3.44Å; N13-F15 WeakPolarHBondContact O-CE2 3.35Å; N13-F15 PolarHBondContact O-N 3.26Å
16C88.3Confident85.9Confident25 Ų2570.7 Ų70.717%0.16937%0.366CS..EExtended strand (participates in β ladder)trans-79.5147.7169.7-57.70000110.5Y5 M6 C9 N18Y5-C16 HydrophobicContact CE1-CB 4.07Å; M6-C16 HydrophobicContact SD-CB 3.73Å; M6-C16 PolarHBondContact SD-SG 2.88Å; C9-C16 HydrophobicContact CB-CB 3.56Å; C9-C16 WeakPolarHBondContact CB-SG 3.47Å; C9-C16 VanDerWaalsContact SG-CA 3.53Å; C9-C16 WeakPolarHBondContact SG-CB 3.24Å; C9-C16 CovalentContact SG-SG 2Å; C9-C16 PolarHBondContact SG-SG 2.88Å; C16-N18 PolarHBondContact O-N 2.93Å
17Y85Confident85.8Confident93 Ų9370.2 Ų70.237%0.36536%0.363SS..PPolyproline II helixtrans-70116.7165.2-177-100.7000109.6Y5 P20 Q21 I77Y5-Y17 WeakPolarHBondContact CE1-O 3.33Å; Y5-Y17 PolarHBondContact OH-O 3.25Å; Y17-P20 HydrophobicContact CE2-CG 4.31Å; Y17-Q21 PolarHBondContact OH-OE1 2.92Å; Y17-I77 HydrophobicContact CE1-CB 4.34Å
18N86.5Confident85.5Confident94 Ų9467 Ų6750%0.50335%0.346SS..  trans-123.641.5-175.4-165.627.7000112.2C16C16-N18 PolarHBondContact O-N 2.93Å
19N89Confident85.2Confident5 Ų573 Ų733%0.02737%0.372CS..  trans47.354.3178.1-66.3-74.8000113.7Q21 V22 L76 I77N19-Q21 VanDerWaalsContact CA-OE1 3.23Å; N19-Q21 VanDerWaalsContact CB-NE2 3.3Å; N19-Q21 PolarHBondContact O-N 3.47Å; N19-Q21 PolarHBondContact OD1-NE2 3.44Å; N19-V22 HydrophobicContact CB-CG2 4.16Å; N19-V22 PolarHBondContact O-N 3.25Å; N19-L76 HydrophobicContact CB-CD2 4.16Å; N19-I77 PolarHBondContact ND2-O 3.48Å; N19-I77 PolarHBondContact OD1-N 3.01Å; N19-I77 PolarHBondContact OD1-O 3.34Å
20P84Confident84.9Confident64 Ų6476.6 Ų76.642%0.41640%0.401SS..THydrogen-bonded Turntrans-60.4-19.1-173.527.4-36.4000113.9Y17 V22 P23 I24Y17-P20 HydrophobicContact CE2-CG 4.31Å; P20-V22 PolarHBondContact O-N 3.41Å; P20-P23 WeakPolarHBondContact O-CD 3.5Å; P20-P23 VanDerWaalsContact O-CG 3.27Å; P20-P23 WeakPolarHBondContact O-CG 3.49Å; P20-I24 VanDerWaalsContact O-CD1 3.32Å; P20-I24 WeakPolarHBondContact O-CD1 3.33Å; P20-I24 VanDerWaalsContact O-CG1 3.23Å; P20-I24 WeakPolarHBondContact O-CG1 3.4Å; P20-I24 PolarHBondContact O-N 3.44Å
21Q84.4Confident84.6Confident17 Ų1778.5 Ų78.58%0.07941%0.408CS..Hα-helixtrans-58.6-30.7173.866.7-814.300113.3Y17 N19 I24 V25 T55 W74Y17-Q21 PolarHBondContact OH-OE1 2.92Å; N19-Q21 VanDerWaalsContact CA-OE1 3.23Å; N19-Q21 VanDerWaalsContact CB-NE2 3.3Å; N19-Q21 PolarHBondContact O-N 3.47Å; N19-Q21 PolarHBondContact OD1-NE2 3.44Å; Q21-I24 PolarHBondContact O-N 3.39Å; Q21-V25 WeakPolarHBondContact O-CB 3.25Å; Q21-V25 VanDerWaalsContact O-CG2 3.3Å; Q21-V25 WeakPolarHBondContact O-CG2 3.31Å; Q21-V25 PolarHBondContact O-N 2.81Å; Q21-T55 HydrophobicContact CB-CG2 4.16Å; Q21-T55 HydrophobicContact CG-CG2 3.69Å; Q21-W74 HydrophobicContact CG-CZ3 4.26Å
22V87.4Confident84.1Confident55 Ų5576.1 Ų76.133%0.33341%0.405SS..Hα-helixtrans-63.3-57.8-176.8179.60000111.5N19 P20 I24 S26 W74 L76N19-V22 HydrophobicContact CB-CG2 4.16Å; N19-V22 PolarHBondContact O-N 3.25Å; P20-V22 PolarHBondContact O-N 3.41Å; V22-I24 VanDerWaalsContact C-N 3.3Å; V22-I24 PolarHBondContact O-N 2.73Å; V22-S26 VanDerWaalsContact O-CB 3.25Å; V22-S26 WeakPolarHBondContact O-CB 3.36Å; V22-S26 PolarHBondContact O-N 3.09Å; V22-W74 HydrophobicContact CB-CH2 4.43Å; V22-W74 HydrophobicContact CB-CZ3 4.09Å; V22-W74 HydrophobicContact CG1-CH2 4.5Å; V22-W74 HydrophobicContact CG1-CZ3 4.46Å; V22-W74 HydrophobicContact CG2-CE3 3.97Å; V22-W74 HydrophobicContact CG2-CH2 4.4Å; V22-W74 HydrophobicContact CG2-CZ3 3.62Å; V22-L76 HydrophobicContact CG2-CD2 3.6Å
23P87.7Confident83.9Confident80 Ų8077.6 Ų77.652%0.51942%0.417SS..Hα-helixtrans-64-34.7176.824.4-34.4000112.5P20 S26 Q27P20-P23 WeakPolarHBondContact O-CD 3.5Å; P20-P23 VanDerWaalsContact O-CG 3.27Å; P20-P23 WeakPolarHBondContact O-CG 3.49Å; P23-S26 PolarHBondContact O-N 3.4Å; P23-Q27 VanDerWaalsContact O-CB 3.25Å; P23-Q27 WeakPolarHBondContact O-CB 3.39Å; P23-Q27 PolarHBondContact O-N 3.34Å
24I85.3Confident84Confident34 Ų3476.3 Ų76.317%0.17442%0.415CS..Hα-helixtrans-62.2-54.9179.4-68.2168000110.9P20 Q21 V22 S26 Q27 M28 F45 I50P20-I24 VanDerWaalsContact O-CD1 3.32Å; P20-I24 WeakPolarHBondContact O-CD1 3.33Å; P20-I24 VanDerWaalsContact O-CG1 3.23Å; P20-I24 WeakPolarHBondContact O-CG1 3.4Å; P20-I24 PolarHBondContact O-N 3.44Å; Q21-I24 PolarHBondContact O-N 3.39Å; V22-I24 VanDerWaalsContact C-N 3.3Å; V22-I24 PolarHBondContact O-N 2.73Å; I24-S26 VanDerWaalsContact C-N 3.32Å; I24-S26 PolarHBondContact O-N 3.01Å; I24-Q27 PolarHBondContact O-N 2.99Å; I24-M28 HydrophobicContact CG2-CG 4.41Å; I24-M28 HydrophobicContact CG2-SD 4.02Å; I24-M28 WeakPolarHBondContact O-CB 3.43Å; I24-M28 VanDerWaalsContact O-CG 3.31Å; I24-M28 WeakPolarHBondContact O-CG 3.43Å; I24-M28 PolarHBondContact O-N 3.37Å; I24-F45 HydrophobicContact CD1-CD1 4.34Å; I24-F45 HydrophobicContact CG1-CD1 4.27Å; I24-F45 HydrophobicContact CG1-CE1 4.16Å; I24-F45 HydrophobicContact CG1-CZ 4.45Å; I24-F45 HydrophobicContact CG2-CB 3.93Å; I24-F45 HydrophobicContact CG2-CD1 3.98Å; I24-F45 HydrophobicContact CG2-CD2 3.67Å; I24-F45 HydrophobicContact CG2-CE1 4.42Å; I24-F45 HydrophobicContact CG2-CE2 4.13Å; I24-F45 HydrophobicContact CG2-CG 3.57Å; I24-F45 HydrophobicContact CG2-CZ 4.48Å; I24-I50 HydrophobicContact CG2-CD1 3.77Å
25V87.9Confident83.6Confident9 Ų967.4 Ų67.46%0.05538%0.382CS..Hα-helixtrans-64.9-38.7-179.7168.60000110.7Q21 Q27 M28 F29 L38 L52 L56 W74Q21-V25 WeakPolarHBondContact O-CB 3.25Å; Q21-V25 VanDerWaalsContact O-CG2 3.3Å; Q21-V25 WeakPolarHBondContact O-CG2 3.31Å; Q21-V25 PolarHBondContact O-N 2.81Å; V25-Q27 VanDerWaalsContact C-N 3.34Å; V25-Q27 PolarHBondContact O-N 2.83Å; V25-M28 PolarHBondContact O-N 3.39Å; V25-F29 VanDerWaalsContact O-CB 3.24Å; V25-F29 WeakPolarHBondContact O-CB 3.32Å; V25-F29 PolarHBondContact O-N 3.27Å; V25-L38 HydrophobicContact CG1-CD2 4.17Å; V25-L52 HydrophobicContact CG2-CD1 4.4Å; V25-L52 HydrophobicContact CG2-CD2 3.64Å; V25-L56 HydrophobicContact CG1-CD1 4.3Å; V25-W74 HydrophobicContact CB-CH2 3.75Å; V25-W74 HydrophobicContact CB-CZ2 4.32Å; V25-W74 HydrophobicContact CG1-CH2 3.79Å; V25-W74 HydrophobicContact CG1-CZ2 3.86Å; V25-W74 HydrophobicContact CG2-CH2 4.28Å
26S87.1Confident83.1Confident76 Ų7661.4 Ų61.453%0.53137%0.366SS..Hα-helixtrans-60-44.4175.2-178.80000111.8V22 P23 I24 A30V22-S26 VanDerWaalsContact O-CB 3.25Å; V22-S26 WeakPolarHBondContact O-CB 3.36Å; V22-S26 PolarHBondContact O-N 3.09Å; P23-S26 PolarHBondContact O-N 3.4Å; I24-S26 VanDerWaalsContact C-N 3.32Å; I24-S26 PolarHBondContact O-N 3.01Å; S26-A30 WeakPolarHBondContact O-CB 3.4Å; S26-A30 PolarHBondContact O-N 3.21Å
27Q86Confident82.6Confident83 Ų8364.8 Ų64.839%0.38838%0.382SS..Hα-helixtrans-68.7-43.2178.1-171.8177.413.700112.1P23 I24 V25 F29 A30 Q31 F35P23-Q27 VanDerWaalsContact O-CB 3.25Å; P23-Q27 WeakPolarHBondContact O-CB 3.39Å; P23-Q27 PolarHBondContact O-N 3.34Å; I24-Q27 PolarHBondContact O-N 2.99Å; V25-Q27 VanDerWaalsContact C-N 3.34Å; V25-Q27 PolarHBondContact O-N 2.83Å; Q27-F29 VanDerWaalsContact C-N 3.32Å; Q27-F29 PolarHBondContact O-N 3.1Å; Q27-A30 PolarHBondContact O-N 2.83Å; Q27-Q31 PolarHBondContact O-N 3.47Å; Q27-F35 HydrophobicContact CG-CD2 4.37Å; Q27-F35 HydrophobicContact CG-CE2 3.61Å; Q27-F35 HydrophobicContact CG-CZ 4.11Å
28M84.7Confident82.6Confident3 Ų360.7 Ų60.72%0.01537%0.366CS..Hα-helixtrans-62.2-39.6176.2-71.8-175.87600112I24 V25 Q31 F35 L38 A43 T44 F45I24-M28 HydrophobicContact CG2-CG 4.41Å; I24-M28 HydrophobicContact CG2-SD 4.02Å; I24-M28 WeakPolarHBondContact O-CB 3.43Å; I24-M28 VanDerWaalsContact O-CG 3.31Å; I24-M28 WeakPolarHBondContact O-CG 3.43Å; I24-M28 PolarHBondContact O-N 3.37Å; V25-M28 PolarHBondContact O-N 3.39Å; M28-Q31 CarbonylContact O-C 3.53Å; M28-F35 HydrophobicContact CE-CB 4.28Å; M28-F35 HydrophobicContact CG-CB 3.88Å; M28-F35 HydrophobicContact CG-CD2 4.47Å; M28-F35 HydrophobicContact CG-CG 4.25Å; M28-L38 HydrophobicContact CB-CD1 4.39Å; M28-L38 HydrophobicContact CE-CD1 4.22Å; M28-L38 HydrophobicContact SD-CD1 4.13Å; M28-A43 HydrophobicContact CE-CB 4.28Å; M28-T44 WeakPolarHBondContact CE-O 3.41Å; M28-F45 HydrophobicContact CG-CD2 3.74Å; M28-F45 HydrophobicContact CG-CE2 4.24Å; M28-F45 HydrophobicContact SD-CB 4.04Å; M28-F45 HydrophobicContact SD-CD2 3.83Å; M28-F45 HydrophobicContact SD-CG 4.37Å
29F84Confident82.6Confident135 Ų13558.2 Ų58.259%0.59236%0.356SS*.Hα-helixtrans-70.1-41.1178-171.7-95.1000112V25 Q27 L38V25-F29 VanDerWaalsContact O-CB 3.24Å; V25-F29 WeakPolarHBondContact O-CB 3.32Å; V25-F29 PolarHBondContact O-N 3.27Å; Q27-F29 VanDerWaalsContact C-N 3.32Å; Q27-F29 PolarHBondContact O-N 3.1Å; F29-L38 HydrophobicContact CD2-CD2 4.37Å
30A85.5Confident82.5Confident75 Ų7559.4 Ų59.462%0.6236%0.361SS*.Hα-helixtrans-72.9-32.7178.200000113.3S26 Q27S26-A30 WeakPolarHBondContact O-CB 3.4Å; S26-A30 PolarHBondContact O-N 3.21Å; Q27-A30 PolarHBondContact O-N 2.83Å
31Q83.9Confident82.7Confident108 Ų10857.3 Ų57.351%0.50535%0.347SS..  trans-134.579.5-175.2-63.7179.83.600111.2Q27 M28 A33 P34 F35Q27-Q31 PolarHBondContact O-N 3.47Å; M28-Q31 CarbonylContact O-C 3.53Å; Q31-A33 VanDerWaalsContact C-N 3.35Å; Q31-A33 PolarHBondContact O-N 3.08Å; Q31-P34 WeakPolarHBondContact O-CD 3.21Å; Q31-F35 HydrophobicContact CB-CE2 4.44Å; Q31-F35 VanDerWaalsContact O-CD2 3.27Å; Q31-F35 WeakPolarHBondContact O-CD2 3.27Å
32P74.4Confident82.7Confident65 Ų6558.8 Ų58.842%0.42235%0.352SS..Hα-helixtrans-69.2-29.1-178.423.7-32.2000113.8F35 G36P32-F35 PolarHBondContact O-N 2.88Å; P32-G36 PolarHBondContact O-N 2.62Å
33A73.3Confident82.7Confident104 Ų10456.2 Ų56.286%0.8634%0.336SS*.Hα-helixtrans-58.6-40.5-169.900000116Q31Q31-A33 VanDerWaalsContact C-N 3.35Å; Q31-A33 PolarHBondContact O-N 3.08Å
34P76.1Confident82.4Confident88 Ų8855.6 Ų55.657%0.57133%0.331SS*.Hα-helixtrans-86.4-21.3175.530.1-34.6000114.9Q31Q31-P34 WeakPolarHBondContact O-CD 3.21Å
35F71.4Confident82.1Confident44 Ų4455.6 Ų55.619%0.19333%0.33CS..Hα-helixtrans-105.8-12.8-169.1-57.1-63.6000114.6Q27 M28 Q31 P32 F45Q27-F35 HydrophobicContact CG-CD2 4.37Å; Q27-F35 HydrophobicContact CG-CE2 3.61Å; Q27-F35 HydrophobicContact CG-CZ 4.11Å; M28-F35 HydrophobicContact CE-CB 4.28Å; M28-F35 HydrophobicContact CG-CB 3.88Å; M28-F35 HydrophobicContact CG-CD2 4.47Å; M28-F35 HydrophobicContact CG-CG 4.25Å; Q31-F35 HydrophobicContact CB-CE2 4.44Å; Q31-F35 VanDerWaalsContact O-CD2 3.27Å; Q31-F35 WeakPolarHBondContact O-CD2 3.27Å; P32-F35 PolarHBondContact O-N 2.88Å; F35-F45 HydrophobicContact CB-CD2 4.43Å; F35-F45 AromaticContact CD1-CD2 3.73Å; F35-F45 HydrophobicContact CD1-CD2 3.73Å; F35-F45 AromaticContact CD1-CE2 3.38Å; F35-F45 HydrophobicContact CD1-CE2 3.38Å; F35-F45 HydrophobicContact CD1-CZ 4.26Å; F35-F45 HydrophobicContact CD2-CE2 4.44Å; F35-F45 HydrophobicContact CE1-CD2 4.27Å; F35-F45 AromaticContact CE1-CE2 3.47Å; F35-F45 HydrophobicContact CE1-CE2 3.47Å; F35-F45 VanDerWaalsContact CE1-CE2 3.47Å; F35-F45 AromaticContact CE1-CZ 3.97Å; F35-F45 HydrophobicContact CE1-CZ 3.97Å; F35-F45 HydrophobicContact CG-CD2 4.14Å; F35-F45 AromaticContact CG-CE2 3.93Å; F35-F45 HydrophobicContact CG-CE2 3.93Å; F35-F45 HydrophobicContact CZ-CE2 4.1Å
36G73.3Confident81.4Confident33 Ų3358.3 Ų58.334%0.3435%0.354SS..  trans83.8-172.6-177.400000113.4P32P32-G36 PolarHBondContact O-N 2.62Å
37N77.7Confident80.7Confident96 Ų9659.3 Ų59.351%0.51335%0.353SS..  trans-73.5131.1-174-69-3000111.7S39N37-S39 PolarHBondContact O-N 3.28Å; N37-S39 VanDerWaalsContact O-N 3.08Å
38L85.7Confident80.2Confident7 Ų756.5 Ų56.54%0.03734%0.342CS..  trans-76.890171.7-176.568000109.9V25 M28 F29 A43 L52 Q67 I68V25-L38 HydrophobicContact CG1-CD2 4.17Å; M28-L38 HydrophobicContact CB-CD1 4.39Å; M28-L38 HydrophobicContact CE-CD1 4.22Å; M28-L38 HydrophobicContact SD-CD1 4.13Å; F29-L38 HydrophobicContact CD2-CD2 4.37Å; L38-A43 HydrophobicContact CD1-CB 3.98Å; L38-L52 HydrophobicContact CD1-CD1 3.84Å; L38-Q67 WeakPolarHBondContact O-CA 3.49Å; L38-Q67 WeakPolarHBondContact O-CG 3.39Å; L38-I68 HydrophobicContact CD2-CB 4.21Å; L38-I68 HydrophobicContact CD2-CD1 4.22Å; L38-I68 HydrophobicContact CG-CB 4.35Å; L38-I68 HydrophobicContact CG-CD1 3.96Å; L38-I68 HydrophobicContact CG-CG1 4.32Å; L38-I68 PolarHBondContact O-N 2.86Å
39S86.4Confident80.1Confident41 Ų4159.5 Ų59.529%0.28735%0.353SS..BIsolated β-bridgetrans-92.5161.5177.751.20000113.1N37 R42N37-S39 PolarHBondContact O-N 3.28Å; N37-S39 VanDerWaalsContact O-N 3.08Å; S39-R42 CarbonylContact C-O 3.6Å; S39-R42 VanDerWaalsContact C-O 3.3Å; S39-R42 WeakPolarHBondContact CB-O 3.3Å; S39-R42 CarbonylContact O-C 3.44Å; S39-R42 PolarHBondContact OG-O 2.86Å
40Y87.2Confident80.1Confident31 Ų3154.3 Ų54.312%0.12233%0.331CS..SBendtrans-124.8144.9175.3-175.1-94.5000110L52 T59 L61 I68 V445Y40-L52 HydrophobicContact CD2-CB 4.34Å; Y40-T59 HydrophobicContact CD2-CG2 3.88Å; Y40-T59 HydrophobicContact CE2-CG2 3.9Å; Y40-L61 VanDerWaalsContact CB-CD2 3.5Å; Y40-L61 HydrophobicContact CD1-CD1 4.35Å; Y40-L61 HydrophobicContact CG-CD2 4.29Å; Y40-I68 HydrophobicContact CD2-CD1 4.32Å; Y40-V445 HydrophobicContact CE1-CG1 4.02Å; Y40-V445 PolarHBondContact OH-O 2.73Å; Y40-V445 VanDerWaalsContact OH-O 3.06Å
41P86.5Confident80.2Confident20 Ų2051.6 Ų51.613%0.1331%0.305CS..SBendcis-85.1-0.7238.6-41.6000113.8Y51 L52 M482 G485P41-Y51 HydrophobicContact CB-CD2 4.46Å; P41-Y51 HydrophobicContact CB-CE2 3.81Å; P41-Y51 HydrophobicContact CG-CE2 4.14Å; P41-L52 PolarHBondContact O-N 2.93Å; P41-M482 HydrophobicContact CB-CE 3.83Å; P41-M482 HydrophobicContact CG-CE 3.71Å; P41-G485 WeakPolarHBondContact CG-O 3.24Å
42R85.9Confident80.5Confident47 Ų4746.5 Ų46.518%0.17728%0.281CS..EExtended strand (participates in β ladder)trans-120.6141.5175.3-76.2-175.1-64.3174.910.9110.8S39 I50 Y51 D484 G485 L487S39-R42 CarbonylContact C-O 3.6Å; S39-R42 VanDerWaalsContact C-O 3.3Å; S39-R42 WeakPolarHBondContact CB-O 3.3Å; S39-R42 CarbonylContact O-C 3.44Å; S39-R42 PolarHBondContact OG-O 2.86Å; R42-I50 CarbonylContact C-O 3.58Å; R42-I50 VanDerWaalsContact CA-O 3.24Å; R42-I50 WeakPolarHBondContact CA-O 3.24Å; R42-Y51 HydrophobicContact CG-CD2 3.81Å; R42-D484 PolarHBondContact NH1-O 2.87Å; R42-D484 PolarHBondContact NH2-O 3.25Å; R42-G485 WeakPolarHBondContact CD-O 3.32Å; R42-G485 WeakPolarHBondContact CG-O 3.38Å; R42-G485 PolarHBondContact NE-O 3.17Å; R42-L487 PolarHBondContact NH1-O 2.98Å
43A86.2Confident81.1Confident1 Ų143.4 Ų43.41%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-121.2156.9169.700000110.3M28 L38 R49 I50 L52M28-A43 HydrophobicContact CE-CB 4.28Å; L38-A43 HydrophobicContact CD1-CB 3.98Å; A43-R49 CarbonylContact O-C 3.55Å; A43-R49 WeakPolarHBondContact O-CA 3.36Å; A43-I50 HydrophobicContact CB-CD1 4.23Å; A43-I50 HydrophobicContact CB-CG1 3.92Å; A43-I50 PolarHBondContact N-O 2.91Å; A43-I50 WeakPolarHBondContact O-CG1 3.45Å; A43-I50 PolarHBondContact O-N 3.06Å; A43-L52 HydrophobicContact CB-CD1 3.72Å; A43-L52 HydrophobicContact CB-CG 4.41Å
44T81.3Confident81.6Confident68 Ų6841.3 Ų41.342%0.41724%0.235SC..EExtended strand (participates in β ladder)trans-107.9118.6176.253.30000109.7M28 T48 R49M28-T44 WeakPolarHBondContact CE-O 3.41Å; T44-T48 CarbonylContact C-O 3.18Å; T44-T48 WeakPolarHBondContact CA-O 3.23Å; T44-R49 HydrophobicContact CG2-CG 4.22Å
45F78.9Confident82.2Confident33 Ų3337.7 Ų37.715%0.14521%0.211CC..EExtended strand (participates in β ladder)trans-124.7124.6177.6-178.3-100.5000110.3I24 M28 F35 N47 T48 I50I24-F45 HydrophobicContact CD1-CD1 4.34Å; I24-F45 HydrophobicContact CG1-CD1 4.27Å; I24-F45 HydrophobicContact CG1-CE1 4.16Å; I24-F45 HydrophobicContact CG1-CZ 4.45Å; I24-F45 HydrophobicContact CG2-CB 3.93Å; I24-F45 HydrophobicContact CG2-CD1 3.98Å; I24-F45 HydrophobicContact CG2-CD2 3.67Å; I24-F45 HydrophobicContact CG2-CE1 4.42Å; I24-F45 HydrophobicContact CG2-CE2 4.13Å; I24-F45 HydrophobicContact CG2-CG 3.57Å; I24-F45 HydrophobicContact CG2-CZ 4.48Å; M28-F45 HydrophobicContact CG-CD2 3.74Å; M28-F45 HydrophobicContact CG-CE2 4.24Å; M28-F45 HydrophobicContact SD-CB 4.04Å; M28-F45 HydrophobicContact SD-CD2 3.83Å; M28-F45 HydrophobicContact SD-CG 4.37Å; F35-F45 HydrophobicContact CB-CD2 4.43Å; F35-F45 AromaticContact CD1-CD2 3.73Å; F35-F45 HydrophobicContact CD1-CD2 3.73Å; F35-F45 AromaticContact CD1-CE2 3.38Å; F35-F45 HydrophobicContact CD1-CE2 3.38Å; F35-F45 HydrophobicContact CD1-CZ 4.26Å; F35-F45 HydrophobicContact CD2-CE2 4.44Å; F35-F45 HydrophobicContact CE1-CD2 4.27Å; F35-F45 AromaticContact CE1-CE2 3.47Å; F35-F45 HydrophobicContact CE1-CE2 3.47Å; F35-F45 VanDerWaalsContact CE1-CE2 3.47Å; F35-F45 AromaticContact CE1-CZ 3.97Å; F35-F45 HydrophobicContact CE1-CZ 3.97Å; F35-F45 HydrophobicContact CG-CD2 4.14Å; F35-F45 AromaticContact CG-CE2 3.93Å; F35-F45 HydrophobicContact CG-CE2 3.93Å; F35-F45 HydrophobicContact CZ-CE2 4.1Å; F45-N47 PolarHBondContact O-N 2.86Å; F45-N47 VanDerWaalsContact O-N 3.09Å; F45-T48 PolarHBondContact N-O 3.28Å; F45-T48 WeakPolarHBondContact O-CA 3.49Å; F45-T48 PolarHBondContact O-N 2.97Å; F45-T48 PolarHBondContact O-OG1 2.81Å; F45-I50 HydrophobicContact CB-CD1 4.48Å
46A74.8Confident83.2Confident67 Ų6735.7 Ų35.755%0.55420%0.203SC*.THydrogen-bonded Turntrans47.840179.600000113.7T48A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 PolarHBondContact O-N 3.46Å
47N71.7Confident84Confident96 Ų9634.1 Ų34.151%0.51319%0.186SC..THydrogen-bonded Turntrans71.63.2-174.4-51.2-61.5000117.2F45 R500F45-N47 PolarHBondContact O-N 2.86Å; F45-N47 VanDerWaalsContact O-N 3.09Å; N47-R500 PolarHBondContact ND2-NH2 2.7Å; N47-R500 VanDerWaalsContact ND2-NH2 3.13Å; N47-R500 VanDerWaalsContact OD1-CZ 3.28Å; N47-R500 PolarHBondContact OD1-NH1 3.31Å; N47-R500 PolarHBondContact OD1-NH2 2.91Å
48T76.4Confident84.5Confident25 Ų2530.8 Ų30.815%0.15318%0.175CC..EExtended strand (participates in β ladder)trans-98.6137.4172.5650000110.3T44 F45 A46 E526T44-T48 CarbonylContact C-O 3.18Å; T44-T48 WeakPolarHBondContact CA-O 3.23Å; F45-T48 PolarHBondContact N-O 3.28Å; F45-T48 WeakPolarHBondContact O-CA 3.49Å; F45-T48 PolarHBondContact O-N 2.97Å; F45-T48 PolarHBondContact O-OG1 2.81Å; A46-T48 VanDerWaalsContact C-N 3.28Å; A46-T48 PolarHBondContact O-N 3.46Å; T48-E526 HydrophobicContact CG2-CB 3.82Å; T48-E526 HydrophobicContact CG2-CG 4.17Å
49R82Confident84.7Confident65 Ų6531.9 Ų31.925%0.24518%0.181CC..EExtended strand (participates in β ladder)trans-87.3120.5173.8-55.2-163.6179134.9-6.5109.8A43 T44 E493 R529A43-R49 CarbonylContact O-C 3.55Å; A43-R49 WeakPolarHBondContact O-CA 3.36Å; T44-R49 HydrophobicContact CG2-CG 4.22Å; R49-E493 WeakPolarHBondContact CD-OE1 3.2Å; R49-E493 IonicContact CZ-OE1 3.66Å; R49-E493 IonicContact NE-OE1 3.14Å; R49-E493 IonicContact NH1-OE1 2.79Å; R49-E493 PolarHBondContact NH1-OE1 3.41Å; R49-R529 PolarHBondContact O-NH1 3.08Å; R49-R529 PolarHBondContact O-NH2 3.15Å
50I83.7Confident84.9Confident26 Ų2633.2 Ų33.213%0.13319%0.188CC..EExtended strand (participates in β ladder)trans-105.8136.9177.158.6173.3000110.3I24 R42 A43 F45 L52I24-I50 HydrophobicContact CG2-CD1 3.77Å; R42-I50 CarbonylContact C-O 3.58Å; R42-I50 VanDerWaalsContact CA-O 3.24Å; R42-I50 WeakPolarHBondContact CA-O 3.24Å; A43-I50 HydrophobicContact CB-CD1 4.23Å; A43-I50 HydrophobicContact CB-CG1 3.92Å; A43-I50 PolarHBondContact N-O 2.91Å; A43-I50 WeakPolarHBondContact O-CG1 3.45Å; A43-I50 PolarHBondContact O-N 3.06Å; F45-I50 HydrophobicContact CB-CD1 4.48Å; I50-L52 HydrophobicContact CD1-CD2 3.95Å; I50-L52 HydrophobicContact CG1-CD2 4.34Å
51Y88Confident84.9Confident18 Ų1834.9 Ų34.97%0.07120%0.198CC..EExtended strand (participates in β ladder)trans-89.5122.5173.4-171.1-99.2000110.6P41 R42 G53 L54 G446 Q448 E488P41-Y51 HydrophobicContact CB-CD2 4.46Å; P41-Y51 HydrophobicContact CB-CE2 3.81Å; P41-Y51 HydrophobicContact CG-CE2 4.14Å; R42-Y51 HydrophobicContact CG-CD2 3.81Å; Y51-G53 VanDerWaalsContact CE1-CA 3.41Å; Y51-L54 HydrophobicContact CD1-CG 4.34Å; Y51-L54 HydrophobicContact CE1-CG 4.07Å; Y51-G446 WeakPolarHBondContact CE1-O 3.31Å; Y51-G446 VanDerWaalsContact OH-CA 3.32Å; Y51-G446 WeakPolarHBondContact OH-CA 3.05Å; Y51-G446 PolarHBondContact OH-O 3.42Å; Y51-Q448 HydrophobicContact CD1-CG 3.96Å; Y51-Q448 HydrophobicContact CE1-CG 3.36Å; Y51-Q448 HydrophobicContact CE2-CG 4.45Å; Y51-Q448 VanDerWaalsContact CG-NE2 3.26Å; Y51-E488 VanDerWaalsContact CB-CD 3.42Å; Y51-E488 WeakPolarHBondContact CB-OE2 3.14Å; Y51-E488 HydrophobicContact CG-CG 4.47Å
52L89.3Confident85Confident1 Ų136.2 Ų36.21%0.00521%0.205CC..  trans-102.1-10.4-176.7-64.2179.6000113.4V25 L38 Y40 P41 A43 I50 L54 T55 L56 I68V25-L52 HydrophobicContact CG2-CD1 4.4Å; V25-L52 HydrophobicContact CG2-CD2 3.64Å; L38-L52 HydrophobicContact CD1-CD1 3.84Å; Y40-L52 HydrophobicContact CD2-CB 4.34Å; P41-L52 PolarHBondContact O-N 2.93Å; A43-L52 HydrophobicContact CB-CD1 3.72Å; A43-L52 HydrophobicContact CB-CG 4.41Å; I50-L52 HydrophobicContact CD1-CD2 3.95Å; I50-L52 HydrophobicContact CG1-CD2 4.34Å; L52-L54 VanDerWaalsContact C-N 3.25Å; L52-L54 PolarHBondContact O-N 2.74Å; L52-T55 VanDerWaalsContact CA-OG1 3.25Å; L52-T55 WeakPolarHBondContact CA-OG1 3.42Å; L52-T55 WeakPolarHBondContact CD2-OG1 3.47Å; L52-T55 PolarHBondContact O-N 2.82Å; L52-T55 PolarHBondContact O-OG1 2.71Å; L52-L56 HydrophobicContact CD1-CD1 4.26Å; L52-L56 PolarHBondContact O-N 3.22Å; L52-I68 HydrophobicContact CD1-CD1 4.12Å
53G86.8Confident85Confident0 Ų039.6 Ų39.60%023%0.233CC..THydrogen-bonded Turntrans-62.8-26-176.600000115.1Y51 G446Y51-G53 VanDerWaalsContact CE1-CA 3.41Å; G53-G446 CarbonylContact C-O 3.58Å
54L84.7Confident84.9Confident60 Ų6048.9 Ų48.931%0.31427%0.273SS..THydrogen-bonded Turntrans-92.41.1172.8-67.6-179.3000113.6Y51 L52 F75 Q448Y51-L54 HydrophobicContact CD1-CG 4.34Å; Y51-L54 HydrophobicContact CE1-CG 4.07Å; L52-L54 VanDerWaalsContact C-N 3.25Å; L52-L54 PolarHBondContact O-N 2.74Å; L54-F75 WeakPolarHBondContact O-CB 3.47Å; L54-Q448 HydrophobicContact CD1-CB 4.3Å; L54-Q448 HydrophobicContact CD1-CG 4.18Å; L54-Q448 HydrophobicContact CG-CG 4.26Å
55T88.9Confident85Confident12 Ų1248.3 Ų48.37%0.07427%0.272CS..THydrogen-bonded Turntrans-116.9-41.3-171.867.50000112.6Q21 L52 W74 F75Q21-T55 HydrophobicContact CB-CG2 4.16Å; Q21-T55 HydrophobicContact CG-CG2 3.69Å; L52-T55 VanDerWaalsContact CA-OG1 3.25Å; L52-T55 WeakPolarHBondContact CA-OG1 3.42Å; L52-T55 WeakPolarHBondContact CD2-OG1 3.47Å; L52-T55 PolarHBondContact O-N 2.82Å; L52-T55 PolarHBondContact O-OG1 2.71Å; T55-W74 WeakPolarHBondContact O-CA 3.48Å; T55-F75 PolarHBondContact O-N 3.42Å
56L91.1Very high85.2Confident3 Ų348.2 Ų48.22%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-114.2126-179-64.2179.9000108.8V25 L52 T59 I68 W74V25-L56 HydrophobicContact CG1-CD1 4.3Å; L52-L56 HydrophobicContact CD1-CD1 4.26Å; L52-L56 PolarHBondContact O-N 3.22Å; L56-T59 HydrophobicContact CB-CG2 3.65Å; L56-I68 HydrophobicContact CD1-CD1 3.74Å; L56-W74 HydrophobicContact CD2-CD2 3.6Å; L56-W74 HydrophobicContact CD2-CE3 3.94Å; L56-W74 HydrophobicContact CD2-CG 4.2Å; L56-W74 HydrophobicContact CD2-CH2 3.96Å; L56-W74 HydrophobicContact CD2-CZ2 3.57Å; L56-W74 HydrophobicContact CD2-CZ3 4.1Å
57G90Very high85.7Confident0 Ų048 Ų480%027%0.268CS..EExtended strand (participates in β ladder)trans-112.1151.3179.900000112.3T59 S71 K72 A73 Y441G57-T59 VanDerWaalsContact C-N 3.29Å; G57-T59 PolarHBondContact O-N 3.21Å; G57-S71 PolarHBondContact O-OG 3.24Å; G57-K72 PolarHBondContact O-N 3.21Å; G57-A73 PolarHBondContact N-O 2.66Å; G57-A73 PolarHBondContact O-N 2.99Å; G57-Y441 CarbonylContact C-O 3.6Å; G57-Y441 WeakPolarHBondContact CA-O 3.47Å
58G89.3Confident86.5Confident26 Ų2643.9 Ų43.927%0.26825%0.245SC..SBendtrans56.141.1179.500000113.6Y441G58-Y441 PolarHBondContact N-O 2.98Å
59T90.1Very high87.1Confident29 Ų2946.8 Ų46.818%0.17826%0.263CS..PPolyproline II helixtrans-72.3132-177.651.70000111.8Y40 L56 G57 S70Y40-T59 HydrophobicContact CD2-CG2 3.88Å; Y40-T59 HydrophobicContact CE2-CG2 3.9Å; L56-T59 HydrophobicContact CB-CG2 3.65Å; G57-T59 VanDerWaalsContact C-N 3.29Å; G57-T59 PolarHBondContact O-N 3.21Å; T59-S70 CarbonylContact C-O 3.48Å; T59-S70 WeakPolarHBondContact CA-O 3.46Å
60V89.9Confident87.5Confident70 Ų7046.3 Ų46.342%0.42427%0.27SS..EExtended strand (participates in β ladder)trans-101.2124171.5-178.60000108.3V69 S70V60-V69 PolarHBondContact O-N 2.8Å; V60-S70 PolarHBondContact N-O 3.18Å; V60-S70 PolarHBondContact O-N 3.18Å
61L88.2Confident87.8Confident65 Ų6546.9 Ų46.934%0.3428%0.276SS..EExtended strand (participates in β ladder)trans-100.2144.7178.6-51.9-179.4000110.3Y40 P63 Q67 I68Y40-L61 VanDerWaalsContact CB-CD2 3.5Å; Y40-L61 HydrophobicContact CD1-CD1 4.35Å; Y40-L61 HydrophobicContact CG-CD2 4.29Å; L61-P63 WeakPolarHBondContact O-CD 3.47Å; L61-Q67 CarbonylContact C-O 3.57Å; L61-Q67 WeakPolarHBondContact CA-O 3.49Å; L61-I68 HydrophobicContact CD2-CB 4.42Å; L61-I68 HydrophobicContact CD2-CG1 3.8Å
62D88.3Confident88Confident49 Ų4953 Ų5326%0.26230%0.303SS..PPolyproline II helixtrans-69123167174.438.5000109F64 S65 G66 Q67 V69D62-F64 PolarHBondContact O-N 2.62Å; D62-F64 VanDerWaalsContact O-N 3.12Å; D62-S65 WeakPolarHBondContact CB-OG 3.37Å; D62-S65 VanDerWaalsContact OD2-CB 3.24Å; D62-S65 WeakPolarHBondContact OD2-CB 3.45Å; D62-S65 PolarHBondContact OD2-N 3.43Å; D62-S65 PolarHBondContact OD2-OG 2.92Å; D62-G66 WeakPolarHBondContact O-CA 3.47Å; D62-G66 PolarHBondContact O-N 3.37Å; D62-Q67 PolarHBondContact N-O 3.33Å; D62-V69 HydrophobicContact CB-CG2 3.74Å
63P85.3Confident88.2Confident118 Ų11853.8 Ų53.877%0.76631%0.31SS*.THydrogen-bonded Turntrans-58.4-27.6-176.2-2634.3000114.3L61L61-P63 WeakPolarHBondContact O-CD 3.47Å
64F85Confident88.4Confident196 Ų19659.1 Ų59.186%0.8633%0.33SS*.THydrogen-bonded Turntrans-91.8-47.5-174.9-59.9-78000112.6D62D62-F64 PolarHBondContact O-N 2.62Å; D62-F64 VanDerWaalsContact O-N 3.12Å
65S83.1Confident88.8Confident55 Ų5558.8 Ų58.839%0.38533%0.326SS..THydrogen-bonded Turntrans-90.6-16.7-176.965.40000114.5D62 Q67D62-S65 WeakPolarHBondContact CB-OG 3.37Å; D62-S65 VanDerWaalsContact OD2-CB 3.24Å; D62-S65 WeakPolarHBondContact OD2-CB 3.45Å; D62-S65 PolarHBondContact OD2-N 3.43Å; D62-S65 PolarHBondContact OD2-OG 2.92Å; S65-Q67 PolarHBondContact O-N 3.05Å; S65-Q67 VanDerWaalsContact OG-CB 3.31Å; S65-Q67 WeakPolarHBondContact OG-CB 3.43Å; S65-Q67 PolarHBondContact OG-N 3.02Å
66G82.5Confident89Confident31 Ų3162 Ų6232%0.3234%0.343SS..  trans67.510.3-171.400000113.9D62D62-G66 WeakPolarHBondContact O-CA 3.47Å; D62-G66 PolarHBondContact O-N 3.37Å
67Q86.1Confident89Confident63 Ų6364.5 Ų64.529%0.29436%0.355SS..BIsolated β-bridgetrans-79.1147.3-179.9-170.71774.200111.3L38 L61 D62 S65 V69L38-Q67 WeakPolarHBondContact O-CA 3.49Å; L38-Q67 WeakPolarHBondContact O-CG 3.39Å; L61-Q67 CarbonylContact C-O 3.57Å; L61-Q67 WeakPolarHBondContact CA-O 3.49Å; D62-Q67 PolarHBondContact N-O 3.33Å; S65-Q67 PolarHBondContact O-N 3.05Å; S65-Q67 VanDerWaalsContact OG-CB 3.31Å; S65-Q67 WeakPolarHBondContact OG-CB 3.43Å; S65-Q67 PolarHBondContact OG-N 3.02Å; Q67-V69 PolarHBondContact O-N 3.09Å
68I88.3Confident89.1Confident9 Ų969.5 Ų69.55%0.04638%0.375CS..EExtended strand (participates in β ladder)trans-68.3116.5171.8-56.9179.6000109.7L38 Y40 L52 L56 L61L38-I68 HydrophobicContact CD2-CB 4.21Å; L38-I68 HydrophobicContact CD2-CD1 4.22Å; L38-I68 HydrophobicContact CG-CB 4.35Å; L38-I68 HydrophobicContact CG-CD1 3.96Å; L38-I68 HydrophobicContact CG-CG1 4.32Å; L38-I68 PolarHBondContact O-N 2.86Å; Y40-I68 HydrophobicContact CD2-CD1 4.32Å; L52-I68 HydrophobicContact CD1-CD1 4.12Å; L56-I68 HydrophobicContact CD1-CD1 3.74Å; L61-I68 HydrophobicContact CD2-CB 4.42Å; L61-I68 HydrophobicContact CD2-CG1 3.8Å
69V88.7Confident89.2Confident86 Ų8672.7 Ų72.752%0.52138%0.383SS..EExtended strand (participates in β ladder)trans-85.7-43.4173.9177.40000110.4V60 D62 Q67V60-V69 PolarHBondContact O-N 2.8Å; D62-V69 HydrophobicContact CB-CG2 3.74Å; Q67-V69 PolarHBondContact O-N 3.09Å
70S90.3Very high89.3Confident55 Ų5572.2 Ų72.239%0.38538%0.379SS..EExtended strand (participates in β ladder)trans-156158.3178.563.60000111.1T59 V60T59-S70 CarbonylContact C-O 3.48Å; T59-S70 WeakPolarHBondContact CA-O 3.46Å; V60-S70 PolarHBondContact N-O 3.18Å; V60-S70 PolarHBondContact O-N 3.18Å
71S90.8Very high89.4Confident39 Ų3972.3 Ų72.327%0.27337%0.372SS..  trans-135.5144.3171.6178.70000108.9G57 A73G57-S71 PolarHBondContact O-OG 3.24Å; S71-A73 PolarHBondContact OG-O 3.36Å
72K91.7Very high89.4Confident145 Ų14576 Ų7663%0.6339%0.385SS*.SBendtrans-95.3-22.8-174.7-68178.2-177.9171.30113.1G57 Y441G57-K72 PolarHBondContact O-N 3.21Å; K72-Y441 HydrophobicContact CB-CD1 4.09Å; K72-Y441 HydrophobicContact CB-CE1 3.74Å; K72-Y441 HydrophobicContact CD-CD1 4.47Å; K72-Y441 HydrophobicContact CD-CE1 3.75Å; K72-Y441 HydrophobicContact CG-CE1 4.39Å
73A92.1Very high89.2Confident18 Ų1880.7 Ų80.715%0.14941%0.406CS..EExtended strand (participates in β ladder)trans-143.8148.4-173.100000112.2G57 S71 Y441 F442G57-A73 PolarHBondContact N-O 2.66Å; G57-A73 PolarHBondContact O-N 2.99Å; S71-A73 PolarHBondContact OG-O 3.36Å; A73-Y441 HydrophobicContact CB-CD2 3.97Å; A73-Y441 HydrophobicContact CB-CG 3.95Å; A73-F442 HydrophobicContact CB-CE2 3.89Å; A73-F442 HydrophobicContact CB-CZ 3.98Å
74W92.4Very high89.5Confident112 Ų11279.7 Ų79.742%0.42439%0.394SS..EExtended strand (participates in β ladder)trans-119.6132.1172.7-84.382.7000109.9Q21 V22 V25 T55 L56Q21-W74 HydrophobicContact CG-CZ3 4.26Å; V22-W74 HydrophobicContact CB-CH2 4.43Å; V22-W74 HydrophobicContact CB-CZ3 4.09Å; V22-W74 HydrophobicContact CG1-CH2 4.5Å; V22-W74 HydrophobicContact CG1-CZ3 4.46Å; V22-W74 HydrophobicContact CG2-CE3 3.97Å; V22-W74 HydrophobicContact CG2-CH2 4.4Å; V22-W74 HydrophobicContact CG2-CZ3 3.62Å; V25-W74 HydrophobicContact CB-CH2 3.75Å; V25-W74 HydrophobicContact CB-CZ2 4.32Å; V25-W74 HydrophobicContact CG1-CH2 3.79Å; V25-W74 HydrophobicContact CG1-CZ2 3.86Å; V25-W74 HydrophobicContact CG2-CH2 4.28Å; T55-W74 WeakPolarHBondContact O-CA 3.48Å; L56-W74 HydrophobicContact CD2-CD2 3.6Å; L56-W74 HydrophobicContact CD2-CE3 3.94Å; L56-W74 HydrophobicContact CD2-CG 4.2Å; L56-W74 HydrophobicContact CD2-CH2 3.96Å; L56-W74 HydrophobicContact CD2-CZ2 3.57Å; L56-W74 HydrophobicContact CD2-CZ3 4.1Å
75F92.2Very high89.7Confident53 Ų5374.4 Ų74.423%0.23239%0.386CS..  trans-103.1120.5175.1-163.5-108.5000110.1L54 T55 I77 F434 L438 F442L54-F75 WeakPolarHBondContact O-CB 3.47Å; T55-F75 PolarHBondContact O-N 3.42Å; F75-I77 HydrophobicContact CD1-CD1 3.84Å; F75-I77 HydrophobicContact CD1-CG1 3.61Å; F75-I77 HydrophobicContact CE1-CD1 3.58Å; F75-I77 HydrophobicContact CE1-CG1 3.4Å; F75-I77 HydrophobicContact CZ-CG1 4.43Å; F75-F434 AromaticContact CE2-CE2 3.86Å; F75-F434 HydrophobicContact CE2-CE2 3.86Å; F75-F434 AromaticContact CE2-CZ 3.73Å; F75-F434 HydrophobicContact CE2-CZ 3.73Å; F75-F434 HydrophobicContact CZ-CZ 4.27Å; F75-L438 HydrophobicContact CD2-CD1 4.48Å; F75-L438 HydrophobicContact CE2-CD1 4.01Å; F75-F442 HydrophobicContact CB-CD1 4.49Å; F75-F442 HydrophobicContact CB-CE1 3.68Å; F75-F442 HydrophobicContact CB-CE2 4.35Å; F75-F442 HydrophobicContact CB-CZ 3.6Å; F75-F442 HydrophobicContact CD2-CE2 4.44Å; F75-F442 HydrophobicContact CD2-CZ 4.49Å; F75-F442 HydrophobicContact CG-CZ 4.46Å
76L92.7Very high90.1Very high81 Ų8175.9 Ų75.942%0.42439%0.393SS..  trans-115.9130.7-179.5-57.7179.2000109.4N19 V22 Y78N19-L76 HydrophobicContact CB-CD2 4.16Å; V22-L76 HydrophobicContact CG2-CD2 3.6Å; L76-Y78 HydrophobicContact CB-CE2 4.03Å
77I91.3Very high90.5Very high55 Ų5575.3 Ų75.328%0.28238%0.383SS..  trans-117.7131.9-176.9-53.9174.8000108.9Y17 N19 F75 Q79Y17-I77 HydrophobicContact CE1-CB 4.34Å; N19-I77 PolarHBondContact ND2-O 3.48Å; N19-I77 PolarHBondContact OD1-N 3.01Å; N19-I77 PolarHBondContact OD1-O 3.34Å; F75-I77 HydrophobicContact CD1-CD1 3.84Å; F75-I77 HydrophobicContact CD1-CG1 3.61Å; F75-I77 HydrophobicContact CE1-CD1 3.58Å; F75-I77 HydrophobicContact CE1-CG1 3.4Å; F75-I77 HydrophobicContact CZ-CG1 4.43Å; I77-Q79 HydrophobicContact CG2-CG 4.1Å
78Y92.1Very high90.6Very high105 Ų10576 Ų7641%0.41239%0.388SS..  trans-122.5104.7175-64.8-86.3000109.2Y5 L76 W94Y5-Y78 HydrophobicContact CD1-CD1 4.38Å; Y5-Y78 HydrophobicContact CD2-CD1 4.25Å; Y5-Y78 HydrophobicContact CE1-CD1 4.15Å; Y5-Y78 HydrophobicContact CE2-CD1 4.03Å; Y5-Y78 HydrophobicContact CE2-CG 4.48Å; Y5-Y78 HydrophobicContact CG-CD1 4.44Å; Y5-Y78 AromaticContact CZ-CD1 4Å; L76-Y78 HydrophobicContact CB-CE2 4.03Å; Y78-W94 HydrophobicContact CG-CH2 4.33Å
79Q91.4Very high90.8Very high93 Ų9384 Ų8444%0.43542%0.418SS..  trans-88.7129.7-179.9-65.8-70.5-12.200110.6Y5 C9 L10 I77Y5-Q79 PolarHBondContact OH-N 3.38Å; Y5-Q79 PolarHBondContact OH-O 2.98Å; Y5-Q79 VanDerWaalsContact OH-O 3.08Å; C9-Q79 WeakPolarHBondContact CA-O 3.47Å; L10-Q79 HydrophobicContact CB-CB 4.12Å; L10-Q79 PolarHBondContact N-O 3.04Å; I77-Q79 HydrophobicContact CG2-CG 4.1Å
80L92.7Very high90.9Very high18 Ų1883 Ų839%0.09441%0.407CS..BIsolated β-bridgetrans-109.5160.2178.3-58.8173.5000111.1Y5 L8 W94 E95Y5-L80 HydrophobicContact CD2-CD2 3.9Å; Y5-L80 HydrophobicContact CE2-CD2 3.87Å; L8-L80 HydrophobicContact CB-CD2 4.11Å; L80-W94 HydrophobicContact CD1-CD2 4.41Å; L80-W94 HydrophobicContact CD1-CE3 3.51Å; L80-W94 HydrophobicContact CD1-CZ3 3.85Å; L80-W94 HydrophobicContact CD2-CD2 4.25Å; L80-W94 HydrophobicContact CD2-CE3 3.88Å; L80-W94 HydrophobicContact CD2-CH2 4.45Å; L80-W94 HydrophobicContact CD2-CZ3 3.99Å; L80-W94 HydrophobicContact CG-CE3 4.21Å; L80-W94 HydrophobicContact CG-CZ3 4.23Å; L80-E95 HydrophobicContact CD1-CG 3.77Å
81R91.3Very high91Very high73 Ų7380.7 Ų80.728%0.27539%0.392SS..  trans-74.1135.1173.3-68.5-177-69.9124.6-1.2110.6D7 L8 C9 L10 D87D7-R81 PolarHBondContact O-NH2 3.13Å; L8-R81 PolarHBondContact O-N 2.81Å; C9-R81 VanDerWaalsContact O-CG 3.26Å; C9-R81 WeakPolarHBondContact O-CG 3.24Å; L10-R81 HydrophobicContact CD1-CG 4.34Å; R81-D87 HydrophobicContact CB-CB 4.19Å; R81-D87 IonicContact CZ-OD1 2.61Å; R81-D87 VanDerWaalsContact NH1-CG 3.28Å; R81-D87 IonicContact NH1-OD1 2.77Å; R81-D87 PolarHBondContact NH1-OD1 2.98Å; R81-D87 IonicContact NH1-OD2 2.62Å; R81-D87 PolarHBondContact NH1-OD2 3.02Å; R81-D87 VanDerWaalsContact NH1-OD2 3.15Å; R81-D87 IonicContact NH2-OD1 3.11Å
82F88.4Confident91Very high141 Ų14181.5 Ų81.562%0.61839%0.391SS*.  trans-130.516.8-178.960.3-91.2000114.1N88F82-N88 WeakPolarHBondContact CA-OD1 3.49Å; F82-N88 WeakPolarHBondContact CB-OD1 3.43Å; F82-N88 PolarHBondContact O-OD1 2.97Å
83Q85.6Confident91Very high148 Ų14879.1 Ų79.169%0.69239%0.385SS*.SBendtrans-73.4-37.7-171.7-68.1178.6-16.500113.4
84N90.1Very high91.1Very high98 Ų9880.4 Ų80.452%0.52439%0.386SS..SBendtrans-119.8152.7-174.5-65.7-31000110.7T86 D87 N88N84-T86 PolarHBondContact O-N 2.95Å; N84-T86 VanDerWaalsContact O-N 3.16Å; N84-D87 HydrophobicContact CB-CB 4.47Å; N84-D87 PolarHBondContact O-N 2.9Å; N84-N88 PolarHBondContact O-N 3Å
85A90.5Very high91.2Very high84 Ų8476.3 Ų76.369%0.69437%0.371SS*.Hα-helixtrans-55.4-35.5175.300000112.9R89A85-R89 WeakPolarHBondContact O-CB 3.45Å; A85-R89 PolarHBondContact O-N 2.86Å
86T91Very high91.2Very high87 Ų8778.7 Ų78.753%0.53438%0.379SS..Hα-helixtrans-65.8-42.5174.9-53.10000112.3N84 R89 F90N84-T86 PolarHBondContact O-N 2.95Å; N84-T86 VanDerWaalsContact O-N 3.16Å; T86-R89 PolarHBondContact O-N 3.25Å; T86-F90 HydrophobicContact CG2-CD2 3.75Å; T86-F90 HydrophobicContact CG2-CE2 3.4Å; T86-F90 HydrophobicContact CG2-CZ 4.39Å; T86-F90 WeakPolarHBondContact O-CD2 3.38Å; T86-F90 PolarHBondContact O-N 3.04Å
87D90.1Very high91.2Very high18 Ų1880.6 Ų80.610%0.09638%0.383CS..Hα-helixtrans-66.3-42.2177.3-73.5-28.8000110.2R81 N84 R89 F90 G91R81-D87 HydrophobicContact CB-CB 4.19Å; R81-D87 IonicContact CZ-OD1 2.61Å; R81-D87 VanDerWaalsContact NH1-CG 3.28Å; R81-D87 IonicContact NH1-OD1 2.77Å; R81-D87 PolarHBondContact NH1-OD1 2.98Å; R81-D87 IonicContact NH1-OD2 2.62Å; R81-D87 PolarHBondContact NH1-OD2 3.02Å; R81-D87 VanDerWaalsContact NH1-OD2 3.15Å; R81-D87 IonicContact NH2-OD1 3.11Å; N84-D87 HydrophobicContact CB-CB 4.47Å; N84-D87 PolarHBondContact O-N 2.9Å; D87-R89 PolarHBondContact O-N 2.77Å; D87-F90 PolarHBondContact O-N 2.89Å; D87-G91 PolarHBondContact O-N 2.94Å
88N89.7Confident91.2Very high78 Ų7880.7 Ų80.742%0.41738%0.384SS..Hα-helixtrans-57.1-47.6173.8-72.7-10000111.5F82 N84 F90 G91 E92F82-N88 WeakPolarHBondContact CA-OD1 3.49Å; F82-N88 WeakPolarHBondContact CB-OD1 3.43Å; F82-N88 PolarHBondContact O-OD1 2.97Å; N84-N88 PolarHBondContact O-N 3Å; N88-F90 PolarHBondContact O-N 2.88Å; N88-G91 PolarHBondContact O-N 2.81Å; N88-E92 WeakPolarHBondContact O-CB 3.37Å; N88-E92 PolarHBondContact O-N 2.9Å
89R90.7Very high91.3Very high177 Ų17776.9 Ų76.967%0.66837%0.37SS*.Hα-helixtrans-61.8-42.4178.5-175.7-179.6176.3-171.10.2112.4A85 T86 D87 L93A85-R89 WeakPolarHBondContact O-CB 3.45Å; A85-R89 PolarHBondContact O-N 2.86Å; T86-R89 PolarHBondContact O-N 3.25Å; D87-R89 PolarHBondContact O-N 2.77Å; R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 3.42Å; R89-L93 VanDerWaalsContact O-N 3.17Å
90F92Very high91.4Very high66 Ų6677.8 Ų77.829%0.28938%0.375SS..Hα-helixtrans-69.5-35.9176.3-73.4-54.7000112.3Y3 L8 T86 D87 N88 L93 W94Y3-F90 HydrophobicContact CE2-CE1 4.07Å; Y3-F90 HydrophobicContact CE2-CZ 4.3Å; L8-F90 HydrophobicContact CD1-CB 4.43Å; L8-F90 HydrophobicContact CD2-CB 3.74Å; L8-F90 HydrophobicContact CD2-CG 4.45Å; T86-F90 HydrophobicContact CG2-CD2 3.75Å; T86-F90 HydrophobicContact CG2-CE2 3.4Å; T86-F90 HydrophobicContact CG2-CZ 4.39Å; T86-F90 WeakPolarHBondContact O-CD2 3.38Å; T86-F90 PolarHBondContact O-N 3.04Å; D87-F90 PolarHBondContact O-N 2.89Å; N88-F90 PolarHBondContact O-N 2.88Å; F90-L93 PolarHBondContact O-N 3.33Å; F90-W94 WeakPolarHBondContact O-CB 3.42Å; F90-W94 PolarHBondContact O-N 3.28Å
91G92.2Very high91.4Very high6 Ų680.8 Ų80.86%0.06239%0.394CS..Hα-helixtrans-59.5-51.5172.900000111.6D87 N88 L93 W94 E95D87-G91 PolarHBondContact O-N 2.94Å; N88-G91 PolarHBondContact O-N 2.81Å; G91-L93 VanDerWaalsContact C-N 3.34Å; G91-L93 PolarHBondContact O-N 2.92Å; G91-W94 WeakPolarHBondContact O-CB 3.25Å; G91-W94 PolarHBondContact O-N 3.22Å; G91-E95 WeakPolarHBondContact O-CG 3.25Å; G91-E95 PolarHBondContact O-N 3.44Å
92E91.2Very high91.5Very high56 Ų5679.2 Ų79.226%0.26239%0.39SS..Hα-helixtrans-55.5-47176.8-175.2-169.1168.700111.6N88 W94 E95 R96N88-E92 WeakPolarHBondContact O-CB 3.37Å; N88-E92 PolarHBondContact O-N 2.9Å; E92-W94 VanDerWaalsContact C-N 3.3Å; E92-W94 PolarHBondContact O-N 3.48Å; E92-E95 PolarHBondContact O-N 3.22Å; E92-R96 WeakPolarHBondContact O-CB 3.31Å; E92-R96 WeakPolarHBondContact O-CG 3.19Å; E92-R96 PolarHBondContact O-N 3.47Å; E92-R96 IonicContact OE1-CZ 3.46Å; E92-R96 IonicContact OE1-NE 3.81Å; E92-R96 IonicContact OE1-NH1 2.6Å; E92-R96 PolarHBondContact OE1-NH1 3.24Å; E92-R96 IonicContact OE1-NH2 3.15Å; E92-R96 PolarHBondContact OE1-NH2 3.44Å
93L92.4Very high91.6Very high94 Ų9477.4 Ų77.449%0.49238%0.382SS..Hα-helixtrans-62.2-38.1177.5-71.5173.5000112.5R89 F90 G91 K97R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 3.42Å; R89-L93 VanDerWaalsContact O-N 3.17Å; F90-L93 PolarHBondContact O-N 3.33Å; G91-L93 VanDerWaalsContact C-N 3.34Å; G91-L93 PolarHBondContact O-N 2.92Å; L93-K97 WeakPolarHBondContact O-CB 3.36Å; L93-K97 PolarHBondContact O-N 2.81Å; L93-K97 VanDerWaalsContact O-N 3.1Å
94W93.2Very high91.9Very high45 Ų4574.4 Ų74.417%0.1738%0.383CS..Hα-helixtrans-70-44.4176.9-178.990.2000111.7Y5 L8 Y78 L80 F90 G91 E92 K97 L98Y5-W94 AromaticContact CD2-CH2 3.9Å; Y5-W94 HydrophobicContact CD2-CH2 3.9Å; Y5-W94 AromaticContact CD2-CZ2 3.71Å; Y5-W94 HydrophobicContact CD2-CZ2 3.71Å; Y5-W94 HydrophobicContact CG-CZ2 4.2Å; L8-W94 HydrophobicContact CD1-CB 3.69Å; L8-W94 HydrophobicContact CD1-CG 4Å; Y78-W94 HydrophobicContact CG-CH2 4.33Å; L80-W94 HydrophobicContact CD1-CD2 4.41Å; L80-W94 HydrophobicContact CD1-CE3 3.51Å; L80-W94 HydrophobicContact CD1-CZ3 3.85Å; L80-W94 HydrophobicContact CD2-CD2 4.25Å; L80-W94 HydrophobicContact CD2-CE3 3.88Å; L80-W94 HydrophobicContact CD2-CH2 4.45Å; L80-W94 HydrophobicContact CD2-CZ3 3.99Å; L80-W94 HydrophobicContact CG-CE3 4.21Å; L80-W94 HydrophobicContact CG-CZ3 4.23Å; F90-W94 WeakPolarHBondContact O-CB 3.42Å; F90-W94 PolarHBondContact O-N 3.28Å; G91-W94 WeakPolarHBondContact O-CB 3.25Å; G91-W94 PolarHBondContact O-N 3.22Å; E92-W94 VanDerWaalsContact C-N 3.3Å; E92-W94 PolarHBondContact O-N 3.48Å; W94-K97 PolarHBondContact O-N 3.4Å; W94-L98 HydrophobicContact CE3-CD2 4.47Å; W94-L98 HydrophobicContact CH2-CD2 3.57Å; W94-L98 HydrophobicContact CZ2-CD2 4.25Å; W94-L98 HydrophobicContact CZ3-CD2 3.69Å; W94-L98 WeakPolarHBondContact O-CB 3.44Å; W94-L98 PolarHBondContact O-N 3.09Å
95E93.6Very high92.1Very high26 Ų2674.2 Ų74.212%0.12138%0.375CS..Hα-helixtrans-58.9-48.2176.7-72.7-176.3176.700111.1L80 G91 E92 K97 L98 E99 H116 S117 H118L80-E95 HydrophobicContact CD1-CG 3.77Å; G91-E95 WeakPolarHBondContact O-CG 3.25Å; G91-E95 PolarHBondContact O-N 3.44Å; E92-E95 PolarHBondContact O-N 3.22Å; E95-K97 VanDerWaalsContact C-N 3.29Å; E95-K97 PolarHBondContact O-N 3.32Å; E95-L98 WeakPolarHBondContact O-CB 3.27Å; E95-L98 PolarHBondContact O-N 2.86Å; E95-L98 VanDerWaalsContact O-N 3.16Å; E95-E99 PolarHBondContact O-N 3.24Å; E95-H116 HydrophobicContact CB-CB 4.21Å; E95-H116 HydrophobicContact CG-CB 4.11Å; E95-H116 IonicContact OE2-CE1 2.68Å; E95-H116 IonicContact OE2-CG 3.89Å; E95-H116 IonicContact OE2-ND1 2.82Å; E95-H116 PolarHBondContact OE2-ND1 2.91Å; E95-S117 PolarHBondContact OE1-OG 2.8Å; E95-S117 PolarHBondContact OE2-N 2.73Å; E95-S117 PolarHBondContact OE2-OG 3.33Å; E95-H118 IonicContact OE2-CD2 3.62Å; E95-H118 PolarHBondContact OE2-CD2 3.36Å
96R92.2Very high92.1Very high103 Ų10376.9 Ų76.939%0.38938%0.378SS..Hα-helixtrans-61.3-37.9176-75.5-173.3173161.415.1112.5E92 Q100 E122E92-R96 WeakPolarHBondContact O-CB 3.31Å; E92-R96 WeakPolarHBondContact O-CG 3.19Å; E92-R96 PolarHBondContact O-N 3.47Å; E92-R96 IonicContact OE1-CZ 3.46Å; E92-R96 IonicContact OE1-NE 3.81Å; E92-R96 IonicContact OE1-NH1 2.6Å; E92-R96 PolarHBondContact OE1-NH1 3.24Å; E92-R96 IonicContact OE1-NH2 3.15Å; E92-R96 PolarHBondContact OE1-NH2 3.44Å; R96-Q100 WeakPolarHBondContact O-CG 3.33Å; R96-Q100 PolarHBondContact O-N 3.06Å; R96-Q100 VanDerWaalsContact O-N 3.13Å; R96-E122 IonicContact CZ-OE1 3.66Å; R96-E122 VanDerWaalsContact CZ-OE1 3.29Å; R96-E122 IonicContact NE-OE1 3.11Å; R96-E122 PolarHBondContact NE-OE1 3.45Å; R96-E122 IonicContact NH2-OE1 2.84Å; R96-E122 PolarHBondContact NH2-OE1 3.26Å
97K92.6Very high91.9Very high121 Ų12176.8 Ų76.853%0.52637%0.374SS..Hα-helixtrans-70-39.2176.8-170.459.3-177.2172.60111.6L93 W94 E95 Q100 V101L93-K97 WeakPolarHBondContact O-CB 3.36Å; L93-K97 PolarHBondContact O-N 2.81Å; L93-K97 VanDerWaalsContact O-N 3.1Å; W94-K97 PolarHBondContact O-N 3.4Å; E95-K97 VanDerWaalsContact C-N 3.29Å; E95-K97 PolarHBondContact O-N 3.32Å; K97-Q100 VanDerWaalsContact NZ-OE1 3.16Å; K97-Q100 PolarHBondContact O-N 3.14Å; K97-V101 WeakPolarHBondContact O-CG2 3.39Å; K97-V101 PolarHBondContact O-N 3.08Å; K97-V101 VanDerWaalsContact O-N 3.12Å
98L93.2Very high91.9Very high57 Ų5779.4 Ų79.430%0.29841%0.405SS..Hα-helixtrans-62.4-46.6174.918067000110.5W94 E95 Q100 V101 L102W94-L98 HydrophobicContact CE3-CD2 4.47Å; W94-L98 HydrophobicContact CH2-CD2 3.57Å; W94-L98 HydrophobicContact CZ2-CD2 4.25Å; W94-L98 HydrophobicContact CZ3-CD2 3.69Å; W94-L98 WeakPolarHBondContact O-CB 3.44Å; W94-L98 PolarHBondContact O-N 3.09Å; E95-L98 WeakPolarHBondContact O-CB 3.27Å; E95-L98 PolarHBondContact O-N 2.86Å; E95-L98 VanDerWaalsContact O-N 3.16Å; L98-Q100 VanDerWaalsContact C-N 3.32Å; L98-Q100 PolarHBondContact O-N 3.25Å; L98-V101 PolarHBondContact O-N 2.77Å; L98-V101 VanDerWaalsContact O-N 3.09Å; L98-L102 HydrophobicContact CD1-CD1 4Å; L98-L102 HydrophobicContact CD1-CD2 4.37Å; L98-L102 HydrophobicContact CD1-CG 3.94Å; L98-L102 HydrophobicContact CD2-CD1 4.2Å; L98-L102 HydrophobicContact CG-CD1 3.76Å; L98-L102 HydrophobicContact CG-CG 4.07Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.97Å
99E93.2Very high91.9Very high26 Ų2683 Ų8312%0.12142%0.424CS..Hα-helixtrans-51.9-51.1173.8168.2-179.1143.800111E95 V101 L102 K103 F114 H116 Y430E95-E99 PolarHBondContact O-N 3.24Å; E99-V101 VanDerWaalsContact C-N 3.27Å; E99-V101 PolarHBondContact O-N 3.37Å; E99-L102 PolarHBondContact O-N 2.82Å; E99-K103 HydrophobicContact CG-CD 3.91Å; E99-K103 HydrophobicContact CG-CG 4.27Å; E99-K103 WeakPolarHBondContact O-CB 3.13Å; E99-K103 WeakPolarHBondContact O-CG 3.32Å; E99-K103 PolarHBondContact O-N 3.42Å; E99-K103 VanDerWaalsContact OE1-CE 3.3Å; E99-K103 WeakPolarHBondContact OE1-CE 3.09Å; E99-K103 IonicContact OE1-NZ 3.18Å; E99-K103 PolarHBondContact OE1-NZ 3.2Å; E99-F114 HydrophobicContact CB-CE2 3.9Å; E99-F114 HydrophobicContact CB-CZ 4.46Å; E99-F114 HydrophobicContact CG-CE2 3.7Å; E99-F114 HydrophobicContact CG-CZ 3.96Å; E99-H116 IonicContact OE2-CD2 3.71Å; E99-H116 IonicContact OE2-NE2 3.92Å; E99-H116 PolarHBondContact OE2-NE2 3.41Å; E99-H116 VanDerWaalsContact OE2-NE2 3.11Å; E99-Y430 HydrophobicContact CG-CE1 4.47Å; E99-Y430 VanDerWaalsContact OE2-CZ 3.31Å; E99-Y430 PolarHBondContact OE2-OH 3.06Å
100Q92.6Very high91.9Very high112 Ų11279.7 Ų79.752%0.52342%0.419SS..Hα-helixtrans-57.6-41178.9-72.5174.45.500112.3R96 K97 L98 A104R96-Q100 WeakPolarHBondContact O-CG 3.33Å; R96-Q100 PolarHBondContact O-N 3.06Å; R96-Q100 VanDerWaalsContact O-N 3.13Å; K97-Q100 VanDerWaalsContact NZ-OE1 3.16Å; K97-Q100 PolarHBondContact O-N 3.14Å; L98-Q100 VanDerWaalsContact C-N 3.32Å; L98-Q100 PolarHBondContact O-N 3.25Å; Q100-A104 PolarHBondContact O-N 2.94Å
101V93.8Very high91.8Very high81 Ų8185.5 Ų85.549%0.49144%0.439SS..Hα-helixtrans-68.9-44.3178.9172.20000110.9K97 L98 E99 A104 Y105K97-V101 WeakPolarHBondContact O-CG2 3.39Å; K97-V101 PolarHBondContact O-N 3.08Å; K97-V101 VanDerWaalsContact O-N 3.12Å; L98-V101 PolarHBondContact O-N 2.77Å; L98-V101 VanDerWaalsContact O-N 3.09Å; E99-V101 VanDerWaalsContact C-N 3.27Å; E99-V101 PolarHBondContact O-N 3.37Å; V101-A104 PolarHBondContact O-N 3.22Å; V101-Y105 PolarHBondContact O-N 3.4Å
102L93.3Very high91.9Very high40 Ų4088.3 Ų88.321%0.20945%0.454CS..Hα-helixtrans-71.1-34.1-178.7-66.6-177.9000112.5L98 E99 A104 Y105 V112 F114L98-L102 HydrophobicContact CD1-CD1 4Å; L98-L102 HydrophobicContact CD1-CD2 4.37Å; L98-L102 HydrophobicContact CD1-CG 3.94Å; L98-L102 HydrophobicContact CD2-CD1 4.2Å; L98-L102 HydrophobicContact CG-CD1 3.76Å; L98-L102 HydrophobicContact CG-CG 4.07Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.97Å; E99-L102 PolarHBondContact O-N 2.82Å; L102-A104 VanDerWaalsContact C-N 3.26Å; L102-A104 PolarHBondContact O-N 2Å; L102-Y105 WeakPolarHBondContact O-CB 3.48Å; L102-Y105 PolarHBondContact O-N 3.11Å; L102-V112 HydrophobicContact CD2-CG1 4.21Å; L102-F114 HydrophobicContact CB-CD1 3.59Å; L102-F114 HydrophobicContact CB-CE1 3.63Å; L102-F114 HydrophobicContact CB-CG 4.19Å; L102-F114 HydrophobicContact CB-CZ 4.27Å; L102-F114 HydrophobicContact CD1-CB 3.75Å; L102-F114 HydrophobicContact CD1-CD1 3.85Å; L102-F114 HydrophobicContact CD1-CD2 4.27Å; L102-F114 HydrophobicContact CD1-CG 3.67Å; L102-F114 HydrophobicContact CG-CD1 4.38Å
103K91.4Very high92Very high102 Ų10287.3 Ų87.344%0.44345%0.453SS..Hα-helixtrans-62.3-34.6171.1-74.6-177.6172.5173.40112.4E99 F114E99-K103 HydrophobicContact CG-CD 3.91Å; E99-K103 HydrophobicContact CG-CG 4.27Å; E99-K103 WeakPolarHBondContact O-CB 3.13Å; E99-K103 WeakPolarHBondContact O-CG 3.32Å; E99-K103 PolarHBondContact O-N 3.42Å; E99-K103 VanDerWaalsContact OE1-CE 3.3Å; E99-K103 WeakPolarHBondContact OE1-CE 3.09Å; E99-K103 IonicContact OE1-NZ 3.18Å; E99-K103 PolarHBondContact OE1-NZ 3.2Å; K103-F114 HydrophobicContact CD-CZ 4.48Å; K103-F114 HydrophobicContact CG-CE1 4.15Å; K103-F114 HydrophobicContact CG-CZ 3.67Å
104A91.9Very high92Very high85 Ų8584 Ų8470%0.70244%0.435SS*.Hα-helixtrans-85.5-9.117800000113.4Q100 V101 L102 N106Q100-A104 PolarHBondContact O-N 2.94Å; V101-A104 PolarHBondContact O-N 3.22Å; L102-A104 VanDerWaalsContact C-N 3.26Å; L102-A104 PolarHBondContact O-N 2Å; A104-N106 PolarHBondContact O-N 3.35Å
105Y92.7Very high91.9Very high94 Ų9485.6 Ų85.637%0.36944%0.444SS..  trans-77.6120.7-175.6-177.1-101.3000111V101 L102 D107 L110 V112V101-Y105 PolarHBondContact O-N 3.4Å; L102-Y105 WeakPolarHBondContact O-CB 3.48Å; L102-Y105 PolarHBondContact O-N 3.11Å; Y105-D107 HydrophobicContact CE1-CB 4.24Å; Y105-D107 PolarHBondContact OH-OD2 3.06Å; Y105-L110 HydrophobicContact CE1-CB 4.35Å; Y105-V112 HydrophobicContact CD1-CB 4.35Å; Y105-V112 HydrophobicContact CD1-CG2 3.6Å; Y105-V112 HydrophobicContact CE1-CG2 3.68Å
106N90.2Very high91.9Very high140 Ų14085.3 Ų85.375%0.74944%0.442SS*.  trans-146.6116173.6-174.710.8000109.7A104 G108A104-N106 PolarHBondContact O-N 3.35Å; N106-G108 PolarHBondContact OD1-N 3.25Å
107D88.1Confident91.7Very high86 Ų8684 Ų8446%0.4645%0.448SS..  trans-111.6-7.6-179.1-155.9-53.2000111.3Y105 L109Y105-D107 HydrophobicContact CE1-CB 4.24Å; Y105-D107 PolarHBondContact OH-OD2 3.06Å; D107-L109 PolarHBondContact O-N 3.08Å
108G89Confident91.5Very high72 Ų7281.3 Ų81.374%0.74244%0.438SS*.SBendtrans69.4-25.4-172.600000114.9N106N106-G108 PolarHBondContact OD1-N 3.25Å
109L90.4Very high91.4Very high155 Ų15578.6 Ų78.681%0.81242%0.423SS*.SBendtrans-90.8-39.1174.6-67.4172.5000113D107D107-L109 PolarHBondContact O-N 3.08Å
110L90.8Very high91Very high107 Ų10779 Ų7956%0.5643%0.427SS*.  trans-109.3128.5-175.4-64.2175.9000110.7Y105Y105-L110 HydrophobicContact CE1-CB 4.35Å
111R90.6Very high90.7Very high188 Ų18879 Ų7971%0.70943%0.43SS*.  trans-98.4118.9166.6-179.3178171.6-175.6-9.5108.4D437R111-D437 IonicContact NH2-OD2 2.71Å
112V93Very high90.4Very high64 Ų6477.2 Ų77.239%0.38842%0.416SS..  trans-107128.8179.4-176.40000109.7L102 Y105L102-V112 HydrophobicContact CD2-CG1 4.21Å; Y105-V112 HydrophobicContact CD1-CB 4.35Å; Y105-V112 HydrophobicContact CD1-CG2 3.6Å; Y105-V112 HydrophobicContact CE1-CG2 3.68Å
113S92.9Very high90.2Very high35 Ų3575.4 Ų75.425%0.24541%0.407CS..  trans-124.1143.2168.3600000108.1
114F93.3Very high89.9Confident25 Ų2572.4 Ų72.411%0.1140%0.395CS..  trans-145.7161-173.261.2-87000111.4E99 L102 K103 Y430E99-F114 HydrophobicContact CB-CE2 3.9Å; E99-F114 HydrophobicContact CB-CZ 4.46Å; E99-F114 HydrophobicContact CG-CE2 3.7Å; E99-F114 HydrophobicContact CG-CZ 3.96Å; L102-F114 HydrophobicContact CB-CD1 3.59Å; L102-F114 HydrophobicContact CB-CE1 3.63Å; L102-F114 HydrophobicContact CB-CG 4.19Å; L102-F114 HydrophobicContact CB-CZ 4.27Å; L102-F114 HydrophobicContact CD1-CB 3.75Å; L102-F114 HydrophobicContact CD1-CD1 3.85Å; L102-F114 HydrophobicContact CD1-CD2 4.27Å; L102-F114 HydrophobicContact CD1-CG 3.67Å; L102-F114 HydrophobicContact CG-CD1 4.38Å; K103-F114 HydrophobicContact CD-CZ 4.48Å; K103-F114 HydrophobicContact CG-CE1 4.15Å; K103-F114 HydrophobicContact CG-CZ 3.67Å; F114-Y430 HydrophobicContact CD2-CD2 4Å; F114-Y430 AromaticContact CD2-CE2 3.73Å; F114-Y430 HydrophobicContact CD2-CE2 3.73Å; F114-Y430 HydrophobicContact CE1-CD2 4.2Å; F114-Y430 AromaticContact CE2-CD2 3.31Å; F114-Y430 HydrophobicContact CE2-CD2 3.31Å; F114-Y430 AromaticContact CE2-CE2 3.15Å; F114-Y430 HydrophobicContact CE2-CE2 3.15Å; F114-Y430 HydrophobicContact CE2-CG 4.21Å; F114-Y430 AromaticContact CE2-CZ 3.88Å; F114-Y430 AromaticContact CZ-CD2 3.4Å; F114-Y430 HydrophobicContact CZ-CD2 3.4Å; F114-Y430 VanDerWaalsContact CZ-CD2 3.4Å; F114-Y430 AromaticContact CZ-CE2 3.77Å; F114-Y430 HydrophobicContact CZ-CE2 3.77Å; F114-Y430 AromaticContact CZ-CG 3.97Å; F114-Y430 HydrophobicContact CZ-CG 3.97Å
115F92Very high89.7Confident79 Ų7970.6 Ų70.635%0.34638%0.378SS..  trans-147.3143.1176.8171.6-90.6000107.5T119 F434 Y435F115-T119 HydrophobicContact CD2-CG2 3.84Å; F115-T119 HydrophobicContact CE2-CG2 4.17Å; F115-F434 HydrophobicContact CB-CD1 3.43Å; F115-F434 VanDerWaalsContact CB-CD1 3.43Å; F115-F434 HydrophobicContact CB-CD2 4.22Å; F115-F434 HydrophobicContact CB-CE1 3.37Å; F115-F434 HydrophobicContact CB-CE2 4.15Å; F115-F434 HydrophobicContact CB-CG 3.86Å; F115-F434 HydrophobicContact CB-CZ 3.74Å; F115-F434 HydrophobicContact CD1-CE1 4.47Å; F115-F434 HydrophobicContact CG-CD1 4.21Å; F115-F434 AromaticContact CG-CE1 3.97Å; F115-F434 HydrophobicContact CG-CE1 3.97Å; F115-Y435 HydrophobicContact CD2-CE2 4.21Å; F115-Y435 HydrophobicContact CE2-CE2 4.32Å; F115-Y435 WeakPolarHBondContact CE2-OH 3.42Å
116H92.3Very high89.6Confident20 Ų2068.7 Ų68.79%0.09337%0.371CS..  trans-134.2175.6173.169.490.5000110.3E95 E99 H118 T119 Y430E95-H116 HydrophobicContact CB-CB 4.21Å; E95-H116 HydrophobicContact CG-CB 4.11Å; E95-H116 IonicContact OE2-CE1 2.68Å; E95-H116 IonicContact OE2-CG 3.89Å; E95-H116 IonicContact OE2-ND1 2.82Å; E95-H116 PolarHBondContact OE2-ND1 2.91Å; E99-H116 IonicContact OE2-CD2 3.71Å; E99-H116 IonicContact OE2-NE2 3.92Å; E99-H116 PolarHBondContact OE2-NE2 3.41Å; E99-H116 VanDerWaalsContact OE2-NE2 3.11Å; H116-H118 VanDerWaalsContact C-N 3.26Å; H116-H118 PolarHBondContact ND1-N 2.89Å; H116-H118 PolarHBondContact O-N 2.83Å; H116-T119 PolarHBondContact CD2-OG1 3.03Å; H116-T119 PolarHBondContact N-OG1 3.23Å; H116-T119 PolarHBondContact NE2-OG1 3.22Å; H116-T119 VanDerWaalsContact NE2-OG1 3.15Å; H116-T119 WeakPolarHBondContact O-CB 3.1Å; H116-T119 PolarHBondContact O-N 3.41Å; H116-T119 VanDerWaalsContact O-N 3.15Å; H116-T119 PolarHBondContact O-OG1 3.38Å; H116-T119 VanDerWaalsContact O-OG1 3.13Å; H116-Y430 PolarHBondContact CD2-OH 3.28Å; H116-Y430 VanDerWaalsContact CD2-OH 3.27Å; H116-Y430 PolarHBondContact NE2-OH 3.42Å
117S89Confident89.4Confident74 Ų7462 Ų6252%0.51734%0.335SS..THydrogen-bonded Turntrans-61.2-30.7-16761.60000114.4E95E95-S117 PolarHBondContact OE1-OG 2.8Å; E95-S117 PolarHBondContact OE2-N 2.73Å; E95-S117 PolarHBondContact OE2-OG 3.33Å
118H88.3Confident89.3Confident65 Ų6558.7 Ų58.730%0.30132%0.321SS..THydrogen-bonded Turntrans-97-2.3-178.9-60.5-75.3000114.5E95 H116 L120 D121 E122E95-H118 IonicContact OE2-CD2 3.62Å; E95-H118 PolarHBondContact OE2-CD2 3.36Å; H116-H118 VanDerWaalsContact C-N 3.26Å; H116-H118 PolarHBondContact ND1-N 2.89Å; H116-H118 PolarHBondContact O-N 2.83Å; H118-L120 PolarHBondContact O-N 2.91Å; H118-D121 PolarHBondContact O-N 3.32Å; H118-E122 HydrophobicContact CB-CG 4.46Å; H118-E122 WeakPolarHBondContact O-CG 3.34Å; H118-E122 PolarHBondContact O-N 3.35Å
119T90Very high89.2Confident0 Ų060.8 Ų60.80%032%0.316CS..Hα-helixtrans-57.8-46-174.1-620000112.4F115 H116 E123 Y430 A431F115-T119 HydrophobicContact CD2-CG2 3.84Å; F115-T119 HydrophobicContact CE2-CG2 4.17Å; H116-T119 PolarHBondContact CD2-OG1 3.03Å; H116-T119 PolarHBondContact N-OG1 3.23Å; H116-T119 PolarHBondContact NE2-OG1 3.22Å; H116-T119 VanDerWaalsContact NE2-OG1 3.15Å; H116-T119 WeakPolarHBondContact O-CB 3.1Å; H116-T119 PolarHBondContact O-N 3.41Å; H116-T119 VanDerWaalsContact O-N 3.15Å; H116-T119 PolarHBondContact O-OG1 3.38Å; H116-T119 VanDerWaalsContact O-OG1 3.13Å; T119-E123 HydrophobicContact CG2-CG 4.05Å; T119-E123 WeakPolarHBondContact O-CB 3.43Å; T119-E123 WeakPolarHBondContact O-CG 3.01Å; T119-E123 PolarHBondContact O-N 2.92Å; T119-Y430 HydrophobicContact CG2-CE1 4.49Å; T119-Y430 HydrophobicContact CG2-CE2 3.78Å; T119-Y430 WeakPolarHBondContact CG2-OH 3.4Å; T119-Y430 PolarHBondContact OG1-OH 3.4Å; T119-A431 HydrophobicContact CG2-CB 3.45Å; T119-A431 VanDerWaalsContact CG2-CB 3.45Å
120L86.2Confident89.1Confident36 Ų3658 Ų5819%0.18830%0.295CS..Hα-helixtrans-64.8-43.5-176.5-177.362.1000111.7H118 L124 L424 L425H118-L120 PolarHBondContact O-N 2.91Å; L120-L124 WeakPolarHBondContact O-CB 3.12Å; L120-L124 PolarHBondContact O-N 3.12Å; L120-L424 HydrophobicContact CD1-CB 4.43Å; L120-L425 HydrophobicContact CD1-CD2 3.84Å
121D85.5Confident89.1Confident110 Ų11053.1 Ų53.159%0.58827%0.269SS*.Hα-helixtrans-66.5-46.4-179.7-66.5-24.7000111.4H118 L124 S125H118-D121 PolarHBondContact O-N 3.32Å; D121-L124 PolarHBondContact O-N 3.47Å; D121-S125 WeakPolarHBondContact O-CB 3.5Å; D121-S125 PolarHBondContact O-N 2.97Å
122E88.2Confident89.1Confident44 Ų4447 Ų4721%0.20626%0.26CS..Hα-helixtrans-65.8-45.1179.4-70.6-175.3173.400111.4R96 H118 L124 S125 K126R96-E122 IonicContact CZ-OE1 3.66Å; R96-E122 VanDerWaalsContact CZ-OE1 3.29Å; R96-E122 IonicContact NE-OE1 3.11Å; R96-E122 PolarHBondContact NE-OE1 3.45Å; R96-E122 IonicContact NH2-OE1 2.84Å; R96-E122 PolarHBondContact NH2-OE1 3.26Å; H118-E122 HydrophobicContact CB-CG 4.46Å; H118-E122 WeakPolarHBondContact O-CG 3.34Å; H118-E122 PolarHBondContact O-N 3.35Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.47Å; E122-S125 PolarHBondContact O-N 2.92Å; E122-S125 PolarHBondContact O-OG 3.21Å; E122-K126 PolarHBondContact O-N 3.41Å
123E88.2Confident89Confident2 Ų247.5 Ų47.51%0.00926%0.264CS..Hα-helixtrans-71-29.9-179.9-65.2-67.6144.800112.4T119 K126 L425 S429 Y430T119-E123 HydrophobicContact CG2-CG 4.05Å; T119-E123 WeakPolarHBondContact O-CB 3.43Å; T119-E123 WeakPolarHBondContact O-CG 3.01Å; T119-E123 PolarHBondContact O-N 2.92Å; E123-K126 WeakPolarHBondContact OE1-CE 3.31Å; E123-K126 IonicContact OE1-NZ 3.5Å; E123-K126 PolarHBondContact OE1-NZ 3.37Å; E123-K126 IonicContact OE2-NZ 3.94Å; E123-K126 PolarHBondContact OE2-NZ 3.39Å; E123-L425 HydrophobicContact CB-CD2 3.67Å; E123-L425 HydrophobicContact CG-CD2 4.46Å; E123-S429 VanDerWaalsContact CG-OG 3.3Å; E123-S429 WeakPolarHBondContact CG-OG 3.28Å; E123-S429 WeakPolarHBondContact OE2-CA 3.49Å; E123-S429 WeakPolarHBondContact OE2-CB 3.32Å; E123-S429 PolarHBondContact OE2-OG 2.91Å; E123-Y430 HydrophobicContact CG-CE1 4.27Å; E123-Y430 VanDerWaalsContact OE1-CD1 3.27Å; E123-Y430 WeakPolarHBondContact OE1-CD1 3.3Å; E123-Y430 WeakPolarHBondContact OE1-CE1 3.42Å
124L86.3Confident89Confident40 Ų4048.7 Ų48.721%0.20926%0.264CS..Hα-helixtrans-68.7-40.8171.7-174.767.6000111.2L120 D121 E122 K126 N127 E200L120-L124 WeakPolarHBondContact O-CB 3.12Å; L120-L124 PolarHBondContact O-N 3.12Å; D121-L124 PolarHBondContact O-N 3.47Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.47Å; L124-K126 PolarHBondContact O-N 3.44Å; L124-N127 VanDerWaalsContact O-CB 3.29Å; L124-N127 WeakPolarHBondContact O-CB 3.42Å; L124-N127 PolarHBondContact O-N 2.85Å; L124-N127 PolarHBondContact O-ND2 3.41Å; L124-E200 HydrophobicContact CG-CB 4.48Å; L124-E200 HydrophobicContact CG-CG 4.44Å
125S87.6Confident88.9Confident47 Ų4749 Ų4933%0.32927%0.267SS..Hα-helixtrans-60.2-31.1179.475.50000113.4D121 E122 N127 G128 D129D121-S125 WeakPolarHBondContact O-CB 3.5Å; D121-S125 PolarHBondContact O-N 2.97Å; E122-S125 PolarHBondContact O-N 2.92Å; E122-S125 PolarHBondContact O-OG 3.21Å; S125-N127 PolarHBondContact O-N 3.26Å; S125-N127 VanDerWaalsContact O-N 3.16Å; S125-G128 WeakPolarHBondContact O-CA 3.44Å; S125-G128 PolarHBondContact O-N 3.33Å; S125-D129 PolarHBondContact O-N 3.08Å
126K89.1Confident89Confident53 Ų5350.6 Ų50.623%0.2328%0.278CS..Hα-helixtrans-59-28.1174.1-68-177.6-171.91680113.3E122 E123 L124 G128 D129 Y130 V426E122-K126 PolarHBondContact O-N 3.41Å; E123-K126 WeakPolarHBondContact OE1-CE 3.31Å; E123-K126 IonicContact OE1-NZ 3.5Å; E123-K126 PolarHBondContact OE1-NZ 3.37Å; E123-K126 IonicContact OE2-NZ 3.94Å; E123-K126 PolarHBondContact OE2-NZ 3.39Å; L124-K126 PolarHBondContact O-N 3.44Å; K126-G128 PolarHBondContact O-N 3.25Å; K126-D129 WeakPolarHBondContact O-CB 3.35Å; K126-D129 PolarHBondContact O-N 2.8Å; K126-Y130 HydrophobicContact CB-CD2 4.31Å; K126-Y130 HydrophobicContact CB-CE2 4.07Å; K126-Y130 WeakPolarHBondContact O-CD2 3.35Å; K126-Y130 PolarHBondContact O-N 2.87Å; K126-V426 HydrophobicContact CB-CG2 3.93Å
127N86.4Confident89.1Confident0 Ų053.2 Ų53.20%030%0.295CS..Hα-helixtrans-58.1-39.9173.9-73.3-64.1000110.9L124 S125 Y130 L131 L424 V426 S735 M737L124-N127 VanDerWaalsContact O-CB 3.29Å; L124-N127 WeakPolarHBondContact O-CB 3.42Å; L124-N127 PolarHBondContact O-N 2.85Å; L124-N127 PolarHBondContact O-ND2 3.41Å; S125-N127 PolarHBondContact O-N 3.26Å; S125-N127 VanDerWaalsContact O-N 3.16Å; N127-Y130 PolarHBondContact O-N 2.97Å; N127-L131 WeakPolarHBondContact O-CB 3.42Å; N127-L131 VanDerWaalsContact O-CD1 3.31Å; N127-L131 WeakPolarHBondContact O-CD1 3.32Å; N127-L131 WeakPolarHBondContact O-CG 3.11Å; N127-L131 PolarHBondContact O-N 3.06Å; N127-L424 PolarHBondContact ND2-O 2.84Å; N127-V426 WeakPolarHBondContact OD1-CG2 3.32Å; N127-S735 VanDerWaalsContact OD1-CB 3.27Å; N127-S735 WeakPolarHBondContact OD1-CB 3.37Å; N127-S735 PolarHBondContact OD1-OG 2.91Å; N127-M737 HydrophobicContact CB-CE 3.7Å
128G86.3Confident89.4Confident16 Ų1649.7 Ų49.717%0.16527%0.27CS..Hα-helixtrans-59.8-45.7175.100000112S125 K126 Y130 L131 A132S125-G128 WeakPolarHBondContact O-CA 3.44Å; S125-G128 PolarHBondContact O-N 3.33Å; K126-G128 PolarHBondContact O-N 3.25Å; G128-Y130 VanDerWaalsContact C-N 3.31Å; G128-Y130 PolarHBondContact O-N 3Å; G128-L131 PolarHBondContact O-N 3.35Å; G128-L131 VanDerWaalsContact O-N 3.16Å; G128-A132 PolarHBondContact O-N 2.98Å
129D87.7Confident89.7Confident117 Ų11749.8 Ų49.863%0.62627%0.27SS*.Hα-helixtrans-61.6-37.3176.7-68.9-25.4000112.6S125 K126 P133S125-D129 PolarHBondContact O-N 3.08Å; K126-D129 WeakPolarHBondContact O-CB 3.35Å; K126-D129 PolarHBondContact O-N 2.8Å; D129-P133 WeakPolarHBondContact O-CD 3.44Å
130Y88.3Confident89.9Confident96 Ų9654.4 Ų54.438%0.37629%0.294SS..Hα-helixtrans-74.5-30.5176.1-70.9-58.7000113.1K126 N127 G128 K134 V426 D428K126-Y130 HydrophobicContact CB-CD2 4.31Å; K126-Y130 HydrophobicContact CB-CE2 4.07Å; K126-Y130 WeakPolarHBondContact O-CD2 3.35Å; K126-Y130 PolarHBondContact O-N 2.87Å; N127-Y130 PolarHBondContact O-N 2.97Å; G128-Y130 VanDerWaalsContact C-N 3.31Å; G128-Y130 PolarHBondContact O-N 3Å; Y130-K134 WeakPolarHBondContact O-CG 3.32Å; Y130-V426 HydrophobicContact CD2-CG1 3.93Å; Y130-V426 HydrophobicContact CD2-CG2 4.18Å; Y130-V426 HydrophobicContact CE2-CB 4.37Å; Y130-V426 HydrophobicContact CE2-CG1 3.65Å; Y130-V426 HydrophobicContact CE2-CG2 4.16Å; Y130-D428 PolarHBondContact OH-OD2 3.24Å
131L90.4Very high90.4Very high4 Ų453.9 Ų53.92%0.02129%0.294CS..Hα-helixtrans-78-39.9179.6-75.5160.8000112.3N127 G128 K134 M135 V204 F207 L730 V738N127-L131 WeakPolarHBondContact O-CB 3.42Å; N127-L131 VanDerWaalsContact O-CD1 3.31Å; N127-L131 WeakPolarHBondContact O-CD1 3.32Å; N127-L131 WeakPolarHBondContact O-CG 3.11Å; N127-L131 PolarHBondContact O-N 3.06Å; G128-L131 PolarHBondContact O-N 3.35Å; G128-L131 VanDerWaalsContact O-N 3.16Å; L131-K134 WeakPolarHBondContact O-CB 3.5Å; L131-K134 PolarHBondContact O-N 2.74Å; L131-M135 PolarHBondContact O-N 3.46Å; L131-V204 HydrophobicContact CD1-CG2 4.15Å; L131-V204 HydrophobicContact CD2-CG2 4.31Å; L131-F207 HydrophobicContact CB-CE2 4.44Å; L131-F207 HydrophobicContact CD2-CE2 3.94Å; L131-F207 HydrophobicContact CD2-CZ 4.4Å; L131-L730 HydrophobicContact CD2-CD2 3.56Å; L131-V738 HydrophobicContact CD1-CG2 4.49Å; L131-V738 HydrophobicContact CD2-CG1 4.39Å; L131-V738 HydrophobicContact CD2-CG2 4.24Å
132A89.7Confident90.8Very high61 Ų6148.6 Ų48.650%0.50427%0.266SS..Hα-helixtrans-52.3-51.9-175.700000114.8G128 K134 M135G128-A132 PolarHBondContact O-N 2.98Å; A132-K134 PolarHBondContact O-N 2.86Å; A132-M135 WeakPolarHBondContact O-CB 3.18Å; A132-M135 PolarHBondContact O-N 2.87Å
133P91.5Very high91.2Very high73 Ų7348.2 Ų48.247%0.47427%0.267SS..Hα-helixtrans-68.4-25.2179.227.1-34.5000112.7D129 M135 I136D129-P133 WeakPolarHBondContact O-CD 3.44Å; P133-M135 VanDerWaalsContact C-N 3.28Å; P133-M135 PolarHBondContact O-N 2.98Å; P133-I136 PolarHBondContact O-N 2.62Å
134K92.3Very high91.5Very high60 Ų6052.4 Ų52.426%0.26129%0.288SS..Hα-helixtrans-71.2-24.6179.6-60.6-67.7178.3168.60112Y130 L131 A132 I136 V137 M138 F207 V729 S732 V733Y130-K134 WeakPolarHBondContact O-CG 3.32Å; L131-K134 WeakPolarHBondContact O-CB 3.5Å; L131-K134 PolarHBondContact O-N 2.74Å; A132-K134 PolarHBondContact O-N 2.86Å; K134-I136 VanDerWaalsContact C-N 3.29Å; K134-I136 PolarHBondContact O-N 3.22Å; K134-V137 WeakPolarHBondContact O-CB 3.38Å; K134-V137 PolarHBondContact O-N 2.94Å; K134-M138 PolarHBondContact O-N 2.91Å; K134-F207 HydrophobicContact CB-CE1 4.07Å; K134-F207 HydrophobicContact CB-CZ 3.84Å; K134-V729 HydrophobicContact CB-CG1 3.86Å; K134-V729 HydrophobicContact CD-CG1 4.14Å; K134-S732 WeakPolarHBondContact CE-OG 3.5Å; K134-S732 PolarHBondContact NZ-OG 2.74Å; K134-V733 HydrophobicContact CG-CG2 4.13Å
135M92.5Very high91.9Very high33 Ų3352.4 Ų52.416%0.16329%0.287CS..Hα-helixtrans-57.2-42.8172.9-76.1-63.4-64.700112L131 A132 P133 V137 M138 F139 P206 F207 I210L131-M135 PolarHBondContact O-N 3.46Å; A132-M135 WeakPolarHBondContact O-CB 3.18Å; A132-M135 PolarHBondContact O-N 2.87Å; P133-M135 VanDerWaalsContact C-N 3.28Å; P133-M135 PolarHBondContact O-N 2.98Å; M135-V137 PolarHBondContact O-N 2.8Å; M135-M138 HydrophobicContact CE-CE 3.61Å; M135-M138 WeakPolarHBondContact O-CB 3.49Å; M135-M138 PolarHBondContact O-N 3.25Å; M135-M138 HydrophobicContact SD-CE 3.96Å; M135-F139 HydrophobicContact CE-CD2 4.44Å; M135-F139 HydrophobicContact CE-CE2 3.81Å; M135-F139 WeakPolarHBondContact O-CD2 3.23Å; M135-F139 PolarHBondContact O-N 3.4Å; M135-P206 HydrophobicContact CE-CB 3.25Å; M135-P206 HydrophobicContact CE-CG 4.34Å; M135-P206 HydrophobicContact SD-CB 3.8Å; M135-F207 HydrophobicContact CB-CZ 4.28Å; M135-F207 HydrophobicContact CG-CD2 4.43Å; M135-F207 HydrophobicContact CG-CE1 4.31Å; M135-F207 HydrophobicContact CG-CE2 3.65Å; M135-F207 HydrophobicContact CG-CZ 3.57Å; M135-F207 HydrophobicContact SD-CD1 3.92Å; M135-F207 HydrophobicContact SD-CD2 3.32Å; M135-F207 WeakPolarHBondContact SD-CD2 3.14Å; M135-F207 HydrophobicContact SD-CE1 3.73Å; M135-F207 HydrophobicContact SD-CE2 3.12Å; M135-F207 WeakPolarHBondContact SD-CE2 3.49Å; M135-F207 HydrophobicContact SD-CG 3.72Å; M135-F207 HydrophobicContact SD-CZ 3.33Å; M135-F207 WeakPolarHBondContact SD-CZ 3.36Å; M135-I210 HydrophobicContact CE-CD1 4.17Å
136I93.4Very high92.2Very high112 Ų11250.1 Ų50.157%0.57427%0.271SS*.Hα-helixtrans-64.3-43.7179.1-60.3173000110.3P133 K134 M138 F139 I140P133-I136 PolarHBondContact O-N 2.62Å; K134-I136 VanDerWaalsContact C-N 3.29Å; K134-I136 PolarHBondContact O-N 3.22Å; I136-M138 VanDerWaalsContact C-N 3.3Å; I136-M138 PolarHBondContact O-N 3.4Å; I136-F139 PolarHBondContact O-N 3.21Å; I136-I140 HydrophobicContact CG2-CD1 3.92Å; I136-I140 WeakPolarHBondContact O-CG1 3.26Å; I136-I140 PolarHBondContact O-N 2.78Å
137V94.1Very high92.4Very high75 Ų7549.3 Ų49.346%0.45527%0.27SS..Hα-helixtrans-59.8-43.9176.9179.30000110.6K134 M135 I140 A141 V729K134-V137 WeakPolarHBondContact O-CB 3.38Å; K134-V137 PolarHBondContact O-N 2.94Å; M135-V137 PolarHBondContact O-N 2.8Å; V137-I140 PolarHBondContact O-N 3.02Å; V137-A141 VanDerWaalsContact O-CB 3.3Å; V137-A141 WeakPolarHBondContact O-CB 3.19Å; V137-A141 PolarHBondContact O-N 2.98Å; V137-V729 HydrophobicContact CB-CG1 4Å; V137-V729 HydrophobicContact CG1-CG1 3.94Å; V137-V729 HydrophobicContact CG1-CG2 4.32Å
138M95Very high92.6Very high0 Ų056 Ų560%030%0.3CS..Hα-helixtrans-61-49.4175.3-178.5-155.858.600111.9K134 M135 I136 I140 A141 L142 F207 I210 V729K134-M138 PolarHBondContact O-N 2.91Å; M135-M138 HydrophobicContact CE-CE 3.61Å; M135-M138 WeakPolarHBondContact O-CB 3.49Å; M135-M138 PolarHBondContact O-N 3.25Å; M135-M138 HydrophobicContact SD-CE 3.96Å; I136-M138 VanDerWaalsContact C-N 3.3Å; I136-M138 PolarHBondContact O-N 3.4Å; M138-I140 VanDerWaalsContact C-N 3.29Å; M138-I140 PolarHBondContact O-N 3.12Å; M138-A141 PolarHBondContact O-N 3.35Å; M138-L142 HydrophobicContact CE-CD1 4.49Å; M138-L142 HydrophobicContact CG-CD1 3.73Å; M138-L142 HydrophobicContact CG-CG 4.06Å; M138-L142 WeakPolarHBondContact O-CB 3.4Å; M138-L142 WeakPolarHBondContact O-CG 3.44Å; M138-L142 PolarHBondContact O-N 3.23Å; M138-L142 HydrophobicContact SD-CD1 3.95Å; M138-F207 HydrophobicContact CB-CD1 3.9Å; M138-F207 HydrophobicContact CB-CE1 3.92Å; M138-F207 HydrophobicContact CE-CD1 4.32Å; M138-F207 HydrophobicContact CG-CD1 4Å; M138-F207 WeakPolarHBondContact SD-CA 3.46Å; M138-F207 HydrophobicContact SD-CB 3.83Å; M138-F207 HydrophobicContact SD-CD1 3.42Å; M138-F207 WeakPolarHBondContact SD-CD1 3.06Å; M138-F207 HydrophobicContact SD-CE1 4.28Å; M138-F207 HydrophobicContact SD-CG 3.9Å; M138-I210 HydrophobicContact CE-CB 4.31Å; M138-I210 HydrophobicContact CE-CD1 4.05Å; M138-I210 HydrophobicContact CE-CG2 4.38Å; M138-V729 HydrophobicContact CB-CB 4.49Å; M138-V729 HydrophobicContact CB-CG2 4.09Å
139F95Very high92.8Very high67 Ų6756.5 Ų56.529%0.29430%0.301SS..Hα-helixtrans-55.3-45.6177.8-89.6-72.8000111.6M135 I136 T143 V177 I210M135-F139 HydrophobicContact CE-CD2 4.44Å; M135-F139 HydrophobicContact CE-CE2 3.81Å; M135-F139 WeakPolarHBondContact O-CD2 3.23Å; M135-F139 PolarHBondContact O-N 3.4Å; I136-F139 PolarHBondContact O-N 3.21Å; F139-T143 VanDerWaalsContact O-CB 3.22Å; F139-T143 WeakPolarHBondContact O-CB 3.14Å; F139-T143 PolarHBondContact O-N 2.97Å; F139-T143 PolarHBondContact O-OG1 3.4Å; F139-V177 HydrophobicContact CD1-CG1 3.68Å; F139-V177 HydrophobicContact CE1-CG1 4.08Å; F139-I210 HydrophobicContact CE1-CD1 3.83Å; F139-I210 HydrophobicContact CE1-CG2 4.33Å; F139-I210 HydrophobicContact CE2-CD1 3.96Å; F139-I210 HydrophobicContact CZ-CD1 3.31Å
140I95.2Very high92.7Very high96 Ų9651.1 Ų51.149%0.49227%0.272SS..Hα-helixtrans-64-49177.8-66.2168.3000110.5I136 V137 M138 T143 I144I136-I140 HydrophobicContact CG2-CD1 3.92Å; I136-I140 WeakPolarHBondContact O-CG1 3.26Å; I136-I140 PolarHBondContact O-N 2.78Å; V137-I140 PolarHBondContact O-N 3.02Å; M138-I140 VanDerWaalsContact C-N 3.29Å; M138-I140 PolarHBondContact O-N 3.12Å; I140-T143 PolarHBondContact O-N 3.42Å; I140-I144 HydrophobicContact CG2-CD1 3.67Å; I140-I144 HydrophobicContact CG2-CG1 4.4Å; I140-I144 WeakPolarHBondContact O-CB 3.48Å; I140-I144 VanDerWaalsContact O-CG1 3.26Å; I140-I144 WeakPolarHBondContact O-CG1 3.25Å; I140-I144 PolarHBondContact O-N 2.91Å
141A94.9Very high92.6Very high25 Ų2548.1 Ų48.121%0.20726%0.262CS..Hα-helixtrans-60.7-48.1-178.600000112.2V137 M138 I144 F145 L725V137-A141 VanDerWaalsContact O-CB 3.3Å; V137-A141 WeakPolarHBondContact O-CB 3.19Å; V137-A141 PolarHBondContact O-N 2.98Å; M138-A141 PolarHBondContact O-N 3.35Å; A141-I144 PolarHBondContact O-N 3.41Å; A141-F145 WeakPolarHBondContact O-CB 3.45Å; A141-F145 PolarHBondContact O-N 2.95Å; A141-L725 HydrophobicContact CB-CD1 4.48Å; A141-L725 HydrophobicContact CB-CD2 4.32Å; A141-L725 HydrophobicContact CB-CG 4.29Å
142L95.6Very high92.1Very high0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-63.5-41.8176.9-69.7179.6000111.6M138 I144 F145 A146 V177 I210 A722 L725M138-L142 HydrophobicContact CE-CD1 4.49Å; M138-L142 HydrophobicContact CG-CD1 3.73Å; M138-L142 HydrophobicContact CG-CG 4.06Å; M138-L142 WeakPolarHBondContact O-CB 3.4Å; M138-L142 WeakPolarHBondContact O-CG 3.44Å; M138-L142 PolarHBondContact O-N 3.23Å; M138-L142 HydrophobicContact SD-CD1 3.95Å; L142-I144 PolarHBondContact O-N 3.05Å; L142-F145 PolarHBondContact O-N 2.92Å; L142-A146 WeakPolarHBondContact O-CB 3.33Å; L142-A146 PolarHBondContact O-N 2.91Å; L142-V177 HydrophobicContact CB-CG2 4.48Å; L142-I210 HydrophobicContact CD1-CG2 4.07Å; L142-A722 HydrophobicContact CD2-CB 4.35Å; L142-A722 VanDerWaalsContact CD2-O 3.27Å; L142-A722 WeakPolarHBondContact CD2-O 3.31Å; L142-L725 HydrophobicContact CD2-CB 4.42Å; L142-L725 HydrophobicContact CD2-CD2 4.47Å
143T95.5Very high91.5Very high35 Ų3550.1 Ų50.122%0.21526%0.261CS..Hα-helixtrans-63-44.3178.6-58.20000111.4F139 I140 T147 I174F139-T143 VanDerWaalsContact O-CB 3.22Å; F139-T143 WeakPolarHBondContact O-CB 3.14Å; F139-T143 PolarHBondContact O-N 2.97Å; F139-T143 PolarHBondContact O-OG1 3.4Å; I140-T143 PolarHBondContact O-N 3.42Å; T143-T147 VanDerWaalsContact O-CB 3.24Å; T143-T147 WeakPolarHBondContact O-CB 3.47Å; T143-T147 PolarHBondContact O-N 2.95Å; T143-T147 PolarHBondContact O-OG1 3.13Å; T143-I174 HydrophobicContact CG2-CB 4.39Å; T143-I174 HydrophobicContact CG2-CG1 3.77Å; T143-I174 HydrophobicContact CG2-CG2 4.25Å
144I95.1Very high90.5Very high90 Ų9050 Ų5046%0.46226%0.259SS..Hα-helixtrans-61.9-51.8176.6-70.3170.5000110I140 A141 L142 T147 F148I140-I144 HydrophobicContact CG2-CD1 3.67Å; I140-I144 HydrophobicContact CG2-CG1 4.4Å; I140-I144 WeakPolarHBondContact O-CB 3.48Å; I140-I144 VanDerWaalsContact O-CG1 3.26Å; I140-I144 WeakPolarHBondContact O-CG1 3.25Å; I140-I144 PolarHBondContact O-N 2.91Å; A141-I144 PolarHBondContact O-N 3.41Å; L142-I144 PolarHBondContact O-N 3.05Å; I144-T147 PolarHBondContact O-N 3.16Å; I144-F148 HydrophobicContact CG2-CD2 3.64Å; I144-F148 HydrophobicContact CG2-CE2 3.53Å; I144-F148 WeakPolarHBondContact O-CD2 3.35Å; I144-F148 PolarHBondContact O-N 3.29Å
145F95.4Very high89.2Confident40 Ų4055.8 Ų55.818%0.17528%0.279CS..Hα-helixtrans-58.7-50.1179.3172.2-97.9000112.2A141 L142 T147 F148 C149 F218 L721 A722 L725A141-F145 WeakPolarHBondContact O-CB 3.45Å; A141-F145 PolarHBondContact O-N 2.95Å; L142-F145 PolarHBondContact O-N 2.92Å; F145-T147 VanDerWaalsContact C-N 3.28Å; F145-T147 PolarHBondContact O-N 3.42Å; F145-F148 PolarHBondContact O-N 2.85Å; F145-F148 VanDerWaalsContact O-N 3.14Å; F145-C149 WeakPolarHBondContact CE2-SG 3.49Å; F145-C149 WeakPolarHBondContact CZ-SG 3.2Å; F145-C149 WeakPolarHBondContact O-CB 3.45Å; F145-C149 PolarHBondContact O-N 3.14Å; F145-C149 PolarHBondContact O-SG 3.32Å; F145-F218 HydrophobicContact CE1-CE2 4.34Å; F145-F218 HydrophobicContact CE1-CZ 4.23Å; F145-L721 HydrophobicContact CE1-CB 4.45Å; F145-L721 HydrophobicContact CE2-CB 4.12Å; F145-L721 HydrophobicContact CZ-CB 3.59Å; F145-L721 HydrophobicContact CZ-CD1 4.46Å; F145-A722 HydrophobicContact CD1-CB 4.21Å; F145-A722 HydrophobicContact CE1-CB 3.82Å; F145-L725 HydrophobicContact CB-CD2 3.34Å; F145-L725 HydrophobicContact CD1-CD2 4.37Å; F145-L725 HydrophobicContact CD2-CD2 4.12Å; F145-L725 HydrophobicContact CG-CD2 3.7Å
146A93.8Very high87.6Confident0 Ų058.7 Ų58.70%029%0.292CS..Hα-helixtrans-61.6-38.5-179.500000111.9L142 C149 T150 A173 V177 L214 F218L142-A146 WeakPolarHBondContact O-CB 3.33Å; L142-A146 PolarHBondContact O-N 2.91Å; A146-C149 PolarHBondContact O-N 3.45Å; A146-T150 WeakPolarHBondContact O-CG2 3.45Å; A146-T150 PolarHBondContact O-N 3.02Å; A146-T150 PolarHBondContact O-OG1 2.96Å; A146-A173 HydrophobicContact CB-CB 3.86Å; A146-A173 WeakPolarHBondContact O-CB 3.15Å; A146-V177 HydrophobicContact CB-CG2 4.4Å; A146-L214 HydrophobicContact CB-CD1 4.12Å; A146-L214 HydrophobicContact CB-CD2 3.98Å; A146-F218 HydrophobicContact CB-CE1 4.3Å; A146-F218 HydrophobicContact CB-CZ 4.03Å
147T92.4Very high85.8Confident35 Ų3563.7 Ų63.722%0.21531%0.31CS..Hα-helixtrans-63-46.4174.7-61.50000111.1T143 I144 F145 T150 I151 P170T143-T147 VanDerWaalsContact O-CB 3.24Å; T143-T147 WeakPolarHBondContact O-CB 3.47Å; T143-T147 PolarHBondContact O-N 2.95Å; T143-T147 PolarHBondContact O-OG1 3.13Å; I144-T147 PolarHBondContact O-N 3.16Å; F145-T147 VanDerWaalsContact C-N 3.28Å; F145-T147 PolarHBondContact O-N 3.42Å; T147-T150 PolarHBondContact O-N 3.38Å; T147-T150 PolarHBondContact O-OG1 3.46Å; T147-T150 VanDerWaalsContact O-OG1 3.11Å; T147-I151 WeakPolarHBondContact O-CG1 3.41Å; T147-I151 PolarHBondContact O-N 3.12Å; T147-P170 HydrophobicContact CG2-CB 3.72Å
148F91.3Very high84.2Confident140 Ų14064.2 Ų64.261%0.61433%0.33SS*.Hα-helixtrans-66-41.5176.9-80.2-64.3000113I144 F145 T150 I151I144-F148 HydrophobicContact CG2-CD2 3.64Å; I144-F148 HydrophobicContact CG2-CE2 3.53Å; I144-F148 WeakPolarHBondContact O-CD2 3.35Å; I144-F148 PolarHBondContact O-N 3.29Å; F145-F148 PolarHBondContact O-N 2.85Å; F145-F148 VanDerWaalsContact O-N 3.14Å; F148-T150 PolarHBondContact O-N 3.02Å; F148-I151 HydrophobicContact CD1-CD1 4.29Å; F148-I151 PolarHBondContact O-N 2.78Å
149C89Confident82.5Confident28 Ų2872.6 Ų72.619%0.18936%0.362CS..Hα-helixtrans-65.2-24-179.8-80.10000113.9F145 A146 F218 Q718F145-C149 WeakPolarHBondContact CE2-SG 3.49Å; F145-C149 WeakPolarHBondContact CZ-SG 3.2Å; F145-C149 WeakPolarHBondContact O-CB 3.45Å; F145-C149 PolarHBondContact O-N 3.14Å; F145-C149 PolarHBondContact O-SG 3.32Å; A146-C149 PolarHBondContact O-N 3.45Å; C149-F218 HydrophobicContact CB-CE1 4.09Å; C149-F218 HydrophobicContact CB-CZ 4.26Å; C149-Q718 PolarHBondContact O-NE2 3.42Å
150T86.9Confident81.3Confident4 Ų477.2 Ų77.23%0.02539%0.386CS..THydrogen-bonded Turntrans-94.6-3.1178.351.50000114.1A146 T147 F148 T152 S168 T169 A173 F218A146-T150 WeakPolarHBondContact O-CG2 3.45Å; A146-T150 PolarHBondContact O-N 3.02Å; A146-T150 PolarHBondContact O-OG1 2.96Å; T147-T150 PolarHBondContact O-N 3.38Å; T147-T150 PolarHBondContact O-OG1 3.46Å; T147-T150 VanDerWaalsContact O-OG1 3.11Å; F148-T150 PolarHBondContact O-N 3.02Å; T150-T152 PolarHBondContact O-N 2.8Å; T150-S168 WeakPolarHBondContact O-CA 3.37Å; T150-T169 WeakPolarHBondContact CB-OG1 3.49Å; T150-T169 PolarHBondContact O-N 3.43Å; T150-T169 PolarHBondContact OG1-O 2.88Å; T150-A173 HydrophobicContact CG2-CB 3.79Å; T150-F218 HydrophobicContact CG2-CD1 4.19Å; T150-F218 HydrophobicContact CG2-CE1 4.04Å
151I86.7Confident80Confident32 Ų3274.9 Ų74.916%0.16438%0.377CS..PPolyproline II helixtrans-77122.7171.4-67.9166.9000108.8T147 F148 F153 I163T147-I151 WeakPolarHBondContact O-CG1 3.41Å; T147-I151 PolarHBondContact O-N 3.12Å; F148-I151 HydrophobicContact CD1-CD1 4.29Å; F148-I151 PolarHBondContact O-N 2.78Å; I151-F153 HydrophobicContact CG2-CE1 4.36Å; I151-F153 HydrophobicContact CG2-CE2 4Å; I151-F153 HydrophobicContact CG2-CZ 3.88Å; I151-I163 HydrophobicContact CG2-CD1 4.38Å; I151-I163 HydrophobicContact CG2-CG1 4.23Å; I151-I163 HydrophobicContact CG2-CG2 3.86Å
152T79Confident79Confident16 Ų1677.7 Ų77.710%0.09839%0.392CS..PPolyproline II helixtrans-102.3129.4-179.357.80000110.6T150 D164 S168 F225 T374T150-T152 PolarHBondContact O-N 2.8Å; T152-D164 PolarHBondContact O-N 3.37Å; T152-S168 PolarHBondContact N-OG 3.36Å; T152-S168 PolarHBondContact OG1-OG 3.01Å; T152-F225 HydrophobicContact CG2-CE2 3.94Å; T152-F225 HydrophobicContact CG2-CZ 4.32Å; T152-T374 HydrophobicContact CG2-CG2 4.33Å
153F77.5Confident78.1Confident92 Ų9280.5 Ų80.540%0.40441%0.407SS..EExtended strand (participates in β ladder)trans-102133.6178-63.5-84.3000110.5I151 P161 I163I151-F153 HydrophobicContact CG2-CE1 4.36Å; I151-F153 HydrophobicContact CG2-CE2 4Å; I151-F153 HydrophobicContact CG2-CZ 3.88Å; F153-P161 HydrophobicContact CB-CB 4.46Å; F153-P161 HydrophobicContact CD1-CB 4.33Å; F153-I163 HydrophobicContact CD1-CG1 3.93Å; F153-I163 HydrophobicContact CE1-CD1 4.23Å; F153-I163 HydrophobicContact CE1-CG1 3.65Å
154V69.4Low77.3Confident71 Ų7180 Ų8043%0.4340%0.403SS..EExtended strand (participates in β ladder)trans-100.4118.7170.61770000108T162 D164V154-T162 PolarHBondContact N-O 3.37Å; V154-T162 PolarHBondContact O-N 3.12Å; V154-D164 HydrophobicContact CG2-CB 3.81Å
155W64.8Low76.6Confident181 Ų18180 Ų8069%0.68640%0.397SS*.  trans-96.8112.4174.4-81.776.2000109.1P161W155-P161 HydrophobicContact CD2-CB 4.23Å; W155-P161 HydrophobicContact CG-CB 4.43Å; W155-P161 HydrophobicContact CZ2-CB 4.19Å; W155-P161 HydrophobicContact CZ2-CG 4.05Å
156E60.2Low75.7Confident93 Ų9379 Ų7944%0.43539%0.394SS..  trans-101.1139.2171.8-166.9171.7-141.200109G158 R159E156-G158 PolarHBondContact O-N 3.08Å; E156-G158 VanDerWaalsContact O-N 3.08Å; E156-R159 PolarHBondContact O-N 3.34Å; E156-R159 IonicContact OE2-NH1 2.82Å; E156-R159 PolarHBondContact OE2-NH1 3.09Å
157K55Low75.1Confident217 Ų21779.9 Ų79.994%0.94340%0.397SS*.THydrogen-bonded Turntrans-61116.1-178.6-77.3-176.9178.2177.80109.8
158G60.2Low74.8Confident86 Ų8678.2 Ų78.289%0.88739%0.387SS*.THydrogen-bonded Turntrans92.95.1175.500000116E156E156-G158 PolarHBondContact O-N 3.08Å; E156-G158 VanDerWaalsContact O-N 3.08Å
159R59.1Low74.7Confident177 Ų17771.5 Ų71.567%0.66836%0.358SS*.SBendtrans-127.3155.9173.5-74.9-178.2176.5154.5-3.8111.8E156E156-R159 PolarHBondContact O-N 3.34Å; E156-R159 IonicContact OE2-NH1 2.82Å; E156-R159 PolarHBondContact OE2-NH1 3.09Å
160M69.7Low74.8Confident163 Ų16370.4 Ų70.480%0.80335%0.35SS*.PPolyproline II helixtrans-58.3146.5172.5-69.1-69.3-79.600110.4T162M160-T162 PolarHBondContact O-N 3.3Å
161P68.9Low75Confident47 Ų4774.4 Ų74.431%0.30537%0.371SS..PPolyproline II helixtrans-58.8125.7179.723.8-33.3000110.6F153 W155F153-P161 HydrophobicContact CB-CB 4.46Å; F153-P161 HydrophobicContact CD1-CB 4.33Å; W155-P161 HydrophobicContact CD2-CB 4.23Å; W155-P161 HydrophobicContact CG-CB 4.43Å; W155-P161 HydrophobicContact CZ2-CB 4.19Å; W155-P161 HydrophobicContact CZ2-CG 4.05Å
162T73.2Confident75.3Confident84 Ų8473.3 Ų73.352%0.51537%0.365SS..EExtended strand (participates in β ladder)trans-101.2146176.554.60000110V154 M160V154-T162 PolarHBondContact N-O 3.37Å; V154-T162 PolarHBondContact O-N 3.12Å; M160-T162 PolarHBondContact O-N 3.3Å
163I78Confident76Confident60 Ų6072.5 Ų72.531%0.30836%0.361SS..EExtended strand (participates in β ladder)trans-82.9126.1179-63.4169.5000108.9I151 F153 W165I151-I163 HydrophobicContact CG2-CD1 4.38Å; I151-I163 HydrophobicContact CG2-CG1 4.23Å; I151-I163 HydrophobicContact CG2-CG2 3.86Å; F153-I163 HydrophobicContact CD1-CG1 3.93Å; F153-I163 HydrophobicContact CE1-CD1 4.23Å; F153-I163 HydrophobicContact CE1-CG1 3.65Å; I163-W165 HydrophobicContact CB-CZ2 4.37Å; I163-W165 HydrophobicContact CD1-CZ2 3.94Å; I163-W165 HydrophobicContact CG2-CD2 3.77Å; I163-W165 HydrophobicContact CG2-CE3 4.18Å; I163-W165 HydrophobicContact CG2-CG 4.15Å; I163-W165 HydrophobicContact CG2-CH2 4.39Å; I163-W165 HydrophobicContact CG2-CZ2 4Å; I163-W165 HydrophobicContact CG2-CZ3 4.47Å; I163-W165 PolarHBondContact O-N 3.16Å; I163-W165 VanDerWaalsContact O-N 3.16Å
164D77.5Confident76.7Confident24 Ų2470.7 Ų70.713%0.12836%0.355CS..  trans-81.892.4170.5-173.8-11.6000109.1T152 V154 T166 R167 S168 R229T152-D164 PolarHBondContact O-N 3.37Å; V154-D164 HydrophobicContact CG2-CB 3.81Å; D164-T166 PolarHBondContact O-N 2.81Å; D164-T166 WeakPolarHBondContact OD1-CA 3.36Å; D164-T166 WeakPolarHBondContact OD1-CB 3.46Å; D164-T166 PolarHBondContact OD1-N 3.35Å; D164-T166 PolarHBondContact OD1-OG1 2.82Å; D164-R167 HydrophobicContact CB-CB 4.3Å; D164-R167 PolarHBondContact O-N 2.81Å; D164-R167 PolarHBondContact OD1-N 3.17Å; D164-R167 VanDerWaalsContact OD1-N 3.11Å; D164-R167 WeakPolarHBondContact OD2-CB 3.49Å; D164-S168 VanDerWaalsContact O-CB 3.3Å; D164-S168 WeakPolarHBondContact O-CB 3.35Å; D164-S168 PolarHBondContact O-N 3.13Å; D164-S168 PolarHBondContact O-OG 2.97Å; D164-R229 IonicContact OD2-NH1 3.32Å; D164-R229 IonicContact OD2-NH2 2.93Å
165W80Confident77.9Confident89 Ų8967.8 Ų67.834%0.33734%0.338SS..THydrogen-bonded Turntrans-70-7177.6-67.9109.6000114.3I163 H308 V309 L310I163-W165 HydrophobicContact CB-CZ2 4.37Å; I163-W165 HydrophobicContact CD1-CZ2 3.94Å; I163-W165 HydrophobicContact CG2-CD2 3.77Å; I163-W165 HydrophobicContact CG2-CE3 4.18Å; I163-W165 HydrophobicContact CG2-CG 4.15Å; I163-W165 HydrophobicContact CG2-CH2 4.39Å; I163-W165 HydrophobicContact CG2-CZ2 4Å; I163-W165 HydrophobicContact CG2-CZ3 4.47Å; I163-W165 PolarHBondContact O-N 3.16Å; I163-W165 VanDerWaalsContact O-N 3.16Å; W165-H308 AromaticContact CD1-NE2 3.93Å; W165-H308 AromaticContact CD2-CE1 3.8Å; W165-H308 AromaticContact CD2-NE2 3.46Å; W165-H308 AromaticContact CE3-CE1 3.65Å; W165-H308 AromaticContact CE3-NE2 3.83Å; W165-H308 AromaticContact CG-CD2 3.94Å; W165-H308 AromaticContact CG-NE2 3.39Å; W165-V309 HydrophobicContact CE3-CG1 3.98Å; W165-V309 WeakPolarHBondContact O-CB 3.48Å; W165-V309 WeakPolarHBondContact O-CG1 3.36Å; W165-V309 PolarHBondContact O-N 3.3Å; W165-V309 VanDerWaalsContact O-N 3.15Å; W165-L310 HydrophobicContact CE3-CD1 4.46Å; W165-L310 HydrophobicContact CH2-CD1 4.24Å; W165-L310 HydrophobicContact CZ3-CD1 3.73Å; W165-L310 HydrophobicContact CZ3-CG 4.26Å
166T78Confident79.3Confident20 Ų2059.4 Ų59.412%0.12331%0.307CS..THydrogen-bonded Turntrans-87.9-39.317363.50000112D164 T316D164-T166 PolarHBondContact O-N 2.81Å; D164-T166 WeakPolarHBondContact OD1-CA 3.36Å; D164-T166 WeakPolarHBondContact OD1-CB 3.46Å; D164-T166 PolarHBondContact OD1-N 3.35Å; D164-T166 PolarHBondContact OD1-OG1 2.82Å; T166-T316 HydrophobicContact CG2-CG2 4.26Å; T166-T316 WeakPolarHBondContact CG2-OG1 3.39Å
167R79.5Confident81Confident18 Ų1855 Ų557%0.06829%0.287CS..THydrogen-bonded Turntrans-89.1-27.7-179-157.6-164.4-151.5169.7-8.1113.4D164 F225 E372 G373D164-R167 HydrophobicContact CB-CB 4.3Å; D164-R167 PolarHBondContact O-N 2.81Å; D164-R167 PolarHBondContact OD1-N 3.17Å; D164-R167 VanDerWaalsContact OD1-N 3.11Å; D164-R167 WeakPolarHBondContact OD2-CB 3.49Å; R167-F225 HydrophobicContact CG-CD1 3.87Å; R167-F225 HydrophobicContact CG-CE1 3.64Å; R167-F225 HydrophobicContact CG-CZ 4.1Å; R167-F225 PolarHBondContact NH2-O 2.92Å; R167-F225 WeakPolarHBondContact O-CE1 3.43Å; R167-F225 WeakPolarHBondContact O-CZ 3.3Å; R167-E372 PolarHBondContact NH2-O 2.85Å; R167-G373 PolarHBondContact NH1-O 3.06Å
168S86.7Confident82.9Confident0 Ų048.7 Ų48.70%026%0.263CS..  trans-62.7138.8-179.7-59.80000111.3T150 T152 D164 P170 V309T150-S168 WeakPolarHBondContact O-CA 3.37Å; T152-S168 PolarHBondContact N-OG 3.36Å; T152-S168 PolarHBondContact OG1-OG 3.01Å; D164-S168 VanDerWaalsContact O-CB 3.3Å; D164-S168 WeakPolarHBondContact O-CB 3.35Å; D164-S168 PolarHBondContact O-N 3.13Å; D164-S168 PolarHBondContact O-OG 2.97Å; S168-P170 WeakPolarHBondContact O-CD 3.48Å; S168-V309 WeakPolarHBondContact O-CG2 3.39Å
169T90.1Very high84.6Confident0 Ų044.9 Ų44.90%022%0.223CC..  trans-120.748-173.854.70000114.5T150 L171 L172 A173 V221 F225 H299T150-T169 WeakPolarHBondContact CB-OG1 3.49Å; T150-T169 PolarHBondContact O-N 3.43Å; T150-T169 PolarHBondContact OG1-O 2.88Å; T169-L171 PolarHBondContact O-N 3.38Å; T169-L172 PolarHBondContact O-N 2.82Å; T169-A173 PolarHBondContact O-N 2.75Å; T169-A173 VanDerWaalsContact O-N 3.12Å; T169-V221 HydrophobicContact CG2-CG1 4.33Å; T169-V221 WeakPolarHBondContact OG1-CG1 3.45Å; T169-F225 HydrophobicContact CG2-CE1 3.97Å; T169-F225 HydrophobicContact CG2-CZ 3.86Å; T169-H299 VanDerWaalsContact CG2-NE2 3.25Å; T169-H299 WeakPolarHBondContact CG2-NE2 3.26Å
170P91Very high86.3Confident5 Ų536.7 Ų36.73%0.03219%0.193CC..Hα-helixtrans-63.2-40.5-175.527.6-37.1000113.2T147 S168 L172 A173 I174 V309 L310T147-P170 HydrophobicContact CG2-CB 3.72Å; S168-P170 WeakPolarHBondContact O-CD 3.48Å; P170-L172 VanDerWaalsContact C-N 3.27Å; P170-L172 PolarHBondContact O-N 3.39Å; P170-A173 WeakPolarHBondContact O-CB 3.4Å; P170-A173 PolarHBondContact O-N 3.13Å; P170-I174 WeakPolarHBondContact O-CG1 3.38Å; P170-I174 PolarHBondContact O-N 3.31Å; P170-V309 HydrophobicContact CG-CG1 4.05Å; P170-V309 HydrophobicContact CG-CG2 4.34Å; P170-L310 HydrophobicContact CG-CD2 3.82Å; P170-L310 HydrophobicContact CG-CG 4.5Å
171L90.9Very high87.6Confident88 Ų8829.2 Ų29.246%0.46116%0.159SC..Hα-helixtrans-63.2-34.6178.7-66.6-180000112.5T169 A175 V309 L310T169-L171 PolarHBondContact O-N 3.38Å; L171-A175 WeakPolarHBondContact O-CB 3.38Å; L171-A175 PolarHBondContact O-N 2.9Å; L171-V309 VanDerWaalsContact CD1-O 3.28Å; L171-V309 WeakPolarHBondContact CD1-O 3.26Å; L171-L310 HydrophobicContact CD2-CD2 4.26Å; L171-L310 HydrophobicContact CG-CD2 4.29Å
172L92.7Very high88.9Confident8 Ų830.2 Ų30.24%0.04216%0.16CC..Hα-helixtrans-73.9-35.3178.3-169.265.9000111.3T169 P170 A175 G176 V221 L292 L295 L296T169-L172 PolarHBondContact O-N 2.82Å; P170-L172 VanDerWaalsContact C-N 3.27Å; P170-L172 PolarHBondContact O-N 3.39Å; L172-A175 PolarHBondContact O-N 3.03Å; L172-G176 PolarHBondContact O-N 2.82Å; L172-V221 HydrophobicContact CD2-CG2 3.6Å; L172-V221 HydrophobicContact CG-CG2 4.42Å; L172-L292 HydrophobicContact CD1-CD1 3.49Å; L172-L292 VanDerWaalsContact CD1-CD1 3.49Å; L172-L292 HydrophobicContact CD1-CG 4.4Å; L172-L292 HydrophobicContact CG-CD1 3.99Å; L172-L295 HydrophobicContact CD1-CB 3.7Å; L172-L296 HydrophobicContact CD1-CB 4.46Å; L172-L296 HydrophobicContact CD2-CB 4.28Å; L172-L296 HydrophobicContact CD2-CD1 3.44Å; L172-L296 VanDerWaalsContact CD2-CD1 3.44Å; L172-L296 HydrophobicContact CD2-CG 4.48Å
173A92.6Very high90Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-61.9-46.9172.900000111.8A146 T150 T169 P170 A175 G176 V177A146-A173 HydrophobicContact CB-CB 3.86Å; A146-A173 WeakPolarHBondContact O-CB 3.15Å; T150-A173 HydrophobicContact CG2-CB 3.79Å; T169-A173 PolarHBondContact O-N 2.75Å; T169-A173 VanDerWaalsContact O-N 3.12Å; P170-A173 WeakPolarHBondContact O-CB 3.4Å; P170-A173 PolarHBondContact O-N 3.13Å; A173-A175 VanDerWaalsContact C-N 3.32Å; A173-A175 PolarHBondContact O-N 2.68Å; A173-G176 PolarHBondContact O-N 2.78Å; A173-G176 VanDerWaalsContact O-N 3.17Å; A173-V177 PolarHBondContact O-N 2.77Å
174I94.2Very high90.9Very high54 Ų5423.6 Ų23.628%0.27712%0.122SC..Hα-helixtrans-59.1-46174.6-63165.6000110.1T143 P170 G176 V177 I178T143-I174 HydrophobicContact CG2-CB 4.39Å; T143-I174 HydrophobicContact CG2-CG1 3.77Å; T143-I174 HydrophobicContact CG2-CG2 4.25Å; P170-I174 WeakPolarHBondContact O-CG1 3.38Å; P170-I174 PolarHBondContact O-N 3.31Å; I174-G176 VanDerWaalsContact C-N 3.29Å; I174-G176 PolarHBondContact O-N 3.1Å; I174-V177 PolarHBondContact O-N 3.22Å; I174-I178 HydrophobicContact CG2-CD1 3.79Å; I174-I178 HydrophobicContact CG2-CG1 4.47Å; I174-I178 WeakPolarHBondContact O-CG1 3.33Å; I174-I178 PolarHBondContact O-N 3.02Å
175A94.2Very high91.8Very high10 Ų1027.3 Ų27.38%0.08315%0.146CC..Hα-helixtrans-64.3-32.3177.600000113.2L171 L172 A173 I178 G179 F291 L295L171-A175 WeakPolarHBondContact O-CB 3.38Å; L171-A175 PolarHBondContact O-N 2.9Å; L172-A175 PolarHBondContact O-N 3.03Å; A173-A175 VanDerWaalsContact C-N 3.32Å; A173-A175 PolarHBondContact O-N 2.68Å; A175-I178 PolarHBondContact O-N 3.44Å; A175-G179 PolarHBondContact O-N 2.92Å; A175-F291 HydrophobicContact CB-CE1 4.12Å; A175-F291 HydrophobicContact CB-CZ 4.47Å; A175-L295 HydrophobicContact CB-CD1 3.33Å
176G94.5Very high92.6Very high4 Ų424.8 Ų24.84%0.04114%0.142CC..Hα-helixtrans-60.8-48.1173.100000112.1L172 A173 I174 G179 A180 T217L172-G176 PolarHBondContact O-N 2.82Å; A173-G176 PolarHBondContact O-N 2.78Å; A173-G176 VanDerWaalsContact O-N 3.17Å; I174-G176 VanDerWaalsContact C-N 3.29Å; I174-G176 PolarHBondContact O-N 3.1Å; G176-G179 PolarHBondContact O-N 3.26Å; G176-A180 WeakPolarHBondContact O-CB 3.42Å; G176-A180 PolarHBondContact O-N 2.85Å; G176-T217 WeakPolarHBondContact CA-OG1 3.3Å
177V95.6Very high93.6Very high1 Ų123.9 Ų23.91%0.00614%0.136CC..Hα-helixtrans-61-47.7175.4-178.20000111F139 L142 A146 A173 I174 A180 G181 I210 L214F139-V177 HydrophobicContact CD1-CG1 3.68Å; F139-V177 HydrophobicContact CE1-CG1 4.08Å; L142-V177 HydrophobicContact CB-CG2 4.48Å; A146-V177 HydrophobicContact CB-CG2 4.4Å; A173-V177 PolarHBondContact O-N 2.77Å; I174-V177 PolarHBondContact O-N 3.22Å; V177-A180 PolarHBondContact O-N 3.34Å; V177-G181 PolarHBondContact O-N 2.82Å; V177-I210 HydrophobicContact CG1-CG2 4.29Å; V177-L214 HydrophobicContact CB-CD1 4.43Å; V177-L214 HydrophobicContact CG2-CD1 3.39Å
178I95.2Very high94.4Very high84 Ų8425.5 Ų25.543%0.43115%0.145SC..Hα-helixtrans-63.1-44.9179.9-67.8171.7000110.8I174 A175 A180 G181 M182I174-I178 HydrophobicContact CG2-CD1 3.79Å; I174-I178 HydrophobicContact CG2-CG1 4.47Å; I174-I178 WeakPolarHBondContact O-CG1 3.33Å; I174-I178 PolarHBondContact O-N 3.02Å; A175-I178 PolarHBondContact O-N 3.44Å; I178-A180 PolarHBondContact O-N 3.32Å; I178-G181 PolarHBondContact O-N 2.86Å; I178-M182 HydrophobicContact CG2-CG 4.3Å; I178-M182 HydrophobicContact CG2-SD 3.91Å; I178-M182 VanDerWaalsContact O-CG 3.31Å; I178-M182 WeakPolarHBondContact O-CG 3.4Å; I178-M182 PolarHBondContact O-N 3.26Å
179G95.6Very high94.9Very high6 Ų627 Ų276%0.06216%0.161CC..Hα-helixtrans-63.3-40.4179.700000112.5A175 G176 M182 G183A175-G179 PolarHBondContact O-N 2.92Å; G176-G179 PolarHBondContact O-N 3.26Å; G179-M182 PolarHBondContact O-N 2.85Å; G179-G183 PolarHBondContact O-N 3.25Å
180A94.9Very high95.3Very high5 Ų531.7 Ų31.74%0.04119%0.186CC..Hα-helixtrans-63.4-43.3172.500000111.5G176 V177 I178 M182 G183 V184 I210 R213 T284G176-A180 WeakPolarHBondContact O-CB 3.42Å; G176-A180 PolarHBondContact O-N 2.85Å; V177-A180 PolarHBondContact O-N 3.34Å; I178-A180 PolarHBondContact O-N 3.32Å; A180-M182 PolarHBondContact O-N 2.91Å; A180-G183 PolarHBondContact O-N 2.87Å; A180-V184 PolarHBondContact O-N 3.17Å; A180-I210 HydrophobicContact CB-CG1 4.45Å; A180-I210 HydrophobicContact CB-CG2 4.28Å; A180-R213 HydrophobicContact CB-CB 4.12Å; A180-T284 WeakPolarHBondContact O-CG2 3.32Å
181G95.7Very high95.6Very high7 Ų732.1 Ų32.17%0.07219%0.188CC..Hα-helixtrans-60.8-42.9174.400000113.3V177 I178 G183 V184 V185V177-G181 PolarHBondContact O-N 2.82Å; I178-G181 PolarHBondContact O-N 2.86Å; G181-G183 VanDerWaalsContact C-N 3.31Å; G181-G183 PolarHBondContact O-N 3.01Å; G181-V184 PolarHBondContact O-N 3.07Å; G181-V185 WeakPolarHBondContact O-CG2 3.34Å; G181-V185 PolarHBondContact O-N 2.85Å
182M96.3Very high95.8Very high68 Ų6831.8 Ų31.834%0.33519%0.193SC..Hα-helixtrans-60.5-40.2175.1-71.8170.664.200111.9I178 G179 A180 S186 Y287I178-M182 HydrophobicContact CG2-CG 4.3Å; I178-M182 HydrophobicContact CG2-SD 3.91Å; I178-M182 VanDerWaalsContact O-CG 3.31Å; I178-M182 WeakPolarHBondContact O-CG 3.4Å; I178-M182 PolarHBondContact O-N 3.26Å; G179-M182 PolarHBondContact O-N 2.85Å; A180-M182 PolarHBondContact O-N 2.91Å; M182-S186 VanDerWaalsContact O-CB 3.32Å; M182-S186 WeakPolarHBondContact O-CB 3.4Å; M182-S186 PolarHBondContact O-N 2.96Å; M182-S186 PolarHBondContact O-OG 3.18Å; M182-Y287 HydrophobicContact CB-CD2 4.42Å; M182-Y287 HydrophobicContact CB-CE1 4.39Å; M182-Y287 HydrophobicContact CB-CE2 4.17Å; M182-Y287 HydrophobicContact CE-CD1 4.22Å; M182-Y287 HydrophobicContact CE-CE1 3.6Å
183G97.3Very high96Very high0 Ų038.7 Ų38.70%023%0.229CC..Hα-helixtrans-61.1-50.4174.200000112.1G179 A180 G181 V185 S186 A187 T283G179-G183 PolarHBondContact O-N 3.25Å; A180-G183 PolarHBondContact O-N 2.87Å; G181-G183 VanDerWaalsContact C-N 3.31Å; G181-G183 PolarHBondContact O-N 3.01Å; G183-V185 PolarHBondContact O-N 3.16Å; G183-S186 WeakPolarHBondContact O-CB 3.42Å; G183-S186 PolarHBondContact O-N 3.45Å; G183-S186 VanDerWaalsContact O-N 3.17Å; G183-A187 PolarHBondContact O-N 3.1Å; G183-T283 PolarHBondContact O-OG1 2.95Å
184V96.5Very high96.2Very high4 Ų442.2 Ų42.22%0.02426%0.258CS..Hα-helixtrans-58.8-46.5177.71700000112.3A180 G181 S186 A187 I188 M205 P206 V209 I210 A280 T284A180-V184 PolarHBondContact O-N 3.17Å; G181-V184 PolarHBondContact O-N 3.07Å; V184-S186 VanDerWaalsContact C-N 3.3Å; V184-S186 PolarHBondContact O-N 3.24Å; V184-A187 PolarHBondContact O-N 3.26Å; V184-I188 HydrophobicContact CG1-CD1 3.97Å; V184-I188 WeakPolarHBondContact O-CG1 3.33Å; V184-I188 PolarHBondContact O-N 2.9Å; V184-M205 HydrophobicContact CG1-CE 3.63Å; V184-M205 HydrophobicContact CG2-CE 4.39Å; V184-P206 HydrophobicContact CG1-CB 3.89Å; V184-P206 HydrophobicContact CG1-CG 3.93Å; V184-V209 HydrophobicContact CG2-CB 3.89Å; V184-V209 HydrophobicContact CG2-CG1 3.61Å; V184-I210 HydrophobicContact CG2-CD1 4.44Å; V184-I210 HydrophobicContact CG2-CG1 3.9Å; V184-A280 HydrophobicContact CG2-CB 4.49Å; V184-T284 HydrophobicContact CG2-CG2 4.42Å
185V96.5Very high96.3Very high103 Ų10342.7 Ų42.762%0.62428%0.276SS*.Hα-helixtrans-61.9-40.7177.4171.60000111.1G181 G183 I188 G189G181-V185 WeakPolarHBondContact O-CG2 3.34Å; G181-V185 PolarHBondContact O-N 2.85Å; G183-V185 PolarHBondContact O-N 3.16Å; V185-I188 PolarHBondContact O-N 3.41Å; V185-G189 PolarHBondContact O-N 3.45Å
186S97.6Very high96.3Very high36 Ų3643.9 Ų43.925%0.25228%0.282SS..Hα-helixtrans-64.3-41.3177-59.10000111.7M182 G183 V184 G189 L190 Y287M182-S186 VanDerWaalsContact O-CB 3.32Å; M182-S186 WeakPolarHBondContact O-CB 3.4Å; M182-S186 PolarHBondContact O-N 2.96Å; M182-S186 PolarHBondContact O-OG 3.18Å; G183-S186 WeakPolarHBondContact O-CB 3.42Å; G183-S186 PolarHBondContact O-N 3.45Å; G183-S186 VanDerWaalsContact O-N 3.17Å; V184-S186 VanDerWaalsContact C-N 3.3Å; V184-S186 PolarHBondContact O-N 3.24Å; S186-G189 PolarHBondContact O-N 3.3Å; S186-L190 WeakPolarHBondContact O-CB 3.49Å; S186-L190 WeakPolarHBondContact O-CG 3.16Å; S186-L190 PolarHBondContact O-N 3.05Å; S186-Y287 PolarHBondContact OG-OH 3.4Å
187A97.4Very high96.3Very high0 Ų047.7 Ų47.70%031%0.306CS..Hα-helixtrans-63.3-46.8177.100000112.5G183 V184 G189 L190 L191 V279 A280 T283G183-A187 PolarHBondContact O-N 3.1Å; V184-A187 PolarHBondContact O-N 3.26Å; A187-G189 VanDerWaalsContact C-N 3.32Å; A187-G189 PolarHBondContact O-N 3.17Å; A187-L190 PolarHBondContact O-N 3.14Å; A187-L191 WeakPolarHBondContact O-CB 3.48Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.01Å; A187-V279 HydrophobicContact CB-CB 4.24Å; A187-V279 HydrophobicContact CB-CG1 3.8Å; A187-A280 VanDerWaalsContact CB-CA 3.48Å; A187-A280 HydrophobicContact CB-CB 3.89Å; A187-T283 HydrophobicContact CB-CG2 4.43Å
188I96.5Very high96.1Very high52 Ų5252.4 Ų52.427%0.26733%0.327SS..Hα-helixtrans-60.9-44.5176.1-65.3169.2000110.2V184 V185 L191 S192 P206 Y276V184-I188 HydrophobicContact CG1-CD1 3.97Å; V184-I188 WeakPolarHBondContact O-CG1 3.33Å; V184-I188 PolarHBondContact O-N 2.9Å; V185-I188 PolarHBondContact O-N 3.41Å; I188-L191 PolarHBondContact O-N 2.79Å; I188-S192 WeakPolarHBondContact O-CB 3.28Å; I188-S192 PolarHBondContact O-N 3.01Å; I188-P206 HydrophobicContact CD1-CG 4.44Å; I188-Y276 HydrophobicContact CG1-CD1 4.28Å; I188-Y276 HydrophobicContact CG1-CE1 4.38Å
189G97.2Very high95.8Very high33 Ų3350 Ų5034%0.3432%0.317SS..Hα-helixtrans-62.2-45177.600000113.3V185 S186 A187 S192 L193V185-G189 PolarHBondContact O-N 3.45Å; S186-G189 PolarHBondContact O-N 3.3Å; A187-G189 VanDerWaalsContact C-N 3.32Å; A187-G189 PolarHBondContact O-N 3.17Å; G189-S192 PolarHBondContact O-N 3.21Å; G189-L193 WeakPolarHBondContact O-CB 3.06Å; G189-L193 VanDerWaalsContact O-CG 3.27Å; G189-L193 WeakPolarHBondContact O-CG 3.39Å; G189-L193 PolarHBondContact O-N 3.26Å
190L97.9Very high95.4Very high97 Ų9752.4 Ų52.451%0.50833%0.327SS..Hα-helixtrans-63.8-43.5178.4-74.2170.3000112.2S186 A187 L193 A194 T283S186-L190 WeakPolarHBondContact O-CB 3.49Å; S186-L190 WeakPolarHBondContact O-CG 3.16Å; S186-L190 PolarHBondContact O-N 3.05Å; A187-L190 PolarHBondContact O-N 3.14Å; L190-L193 PolarHBondContact O-N 3.04Å; L190-A194 WeakPolarHBondContact O-CB 3.16Å; L190-A194 PolarHBondContact O-N 3.06Å; L190-T283 HydrophobicContact CD1-CG2 4.06Å
191L97.4Very high95.1Very high15 Ų1553 Ų538%0.07933%0.33CS..Hα-helixtrans-71.3-36.2179.2-73.4170.7000112.4A187 I188 A194 G195 V196 I275 Y276 V279A187-L191 WeakPolarHBondContact O-CB 3.48Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.01Å; I188-L191 PolarHBondContact O-N 2.79Å; L191-A194 CarbonylContact O-C 3.6Å; L191-A194 PolarHBondContact O-N 3.02Å; L191-G195 PolarHBondContact O-N 3.1Å; L191-V196 HydrophobicContact CB-CB 4.29Å; L191-V196 HydrophobicContact CD2-CB 4.4Å; L191-V196 HydrophobicContact CD2-CG2 3.92Å; L191-V196 PolarHBondContact O-N 3.22Å; L191-I275 HydrophobicContact CD1-CG2 4.16Å; L191-I275 HydrophobicContact CD2-CG2 3.71Å; L191-Y276 HydrophobicContact CB-CD1 4.4Å; L191-Y276 HydrophobicContact CB-CE1 3.86Å; L191-Y276 HydrophobicContact CB-CE2 4.44Å; L191-Y276 HydrophobicContact CD1-CD1 3.48Å; L191-Y276 VanDerWaalsContact CD1-CD1 3.48Å; L191-Y276 HydrophobicContact CD1-CD2 3.86Å; L191-Y276 HydrophobicContact CD1-CE1 3.81Å; L191-Y276 HydrophobicContact CD1-CE2 4.19Å; L191-Y276 HydrophobicContact CD1-CG 3.52Å; L191-V279 HydrophobicContact CD1-CB 4.02Å; L191-V279 HydrophobicContact CD1-CG1 4.46Å; L191-V279 HydrophobicContact CD1-CG2 4.11Å; L191-V279 HydrophobicContact CD2-CG2 4.08Å; L191-V279 HydrophobicContact CG-CB 4.41Å; L191-V279 HydrophobicContact CG-CG1 4.44Å; L191-V279 HydrophobicContact CG-CG2 4.26Å
192S96.1Very high95Very high80 Ų8052.7 Ų52.756%0.55933%0.326SS*.Hα-helixtrans-62.7-42.3171.7-177.20000111.5I188 G189 A194 G195I188-S192 WeakPolarHBondContact O-CB 3.28Å; I188-S192 PolarHBondContact O-N 3.01Å; G189-S192 PolarHBondContact O-N 3.21Å; S192-A194 VanDerWaalsContact C-N 3.28Å; S192-A194 PolarHBondContact O-N 3.35Å; S192-G195 PolarHBondContact O-N 2.95Å
193L96.5Very high94.7Very high153 Ų15350.1 Ų50.180%0.80132%0.318SS*.Hα-helixtrans-64.5-31.5173.4-73.4171.4000112.9G189 L190 G195G189-L193 WeakPolarHBondContact O-CB 3.06Å; G189-L193 VanDerWaalsContact O-CG 3.27Å; G189-L193 WeakPolarHBondContact O-CG 3.39Å; G189-L193 PolarHBondContact O-N 3.26Å; L190-L193 PolarHBondContact O-N 3.04Å; L193-G195 PolarHBondContact O-N 3.39Å
194A97Very high94.4Very high74 Ų7450.1 Ų50.161%0.61232%0.318SS*.THydrogen-bonded Turntrans-77.4-2.9173.900000113.6L190 L191 S192 V196L190-A194 WeakPolarHBondContact O-CB 3.16Å; L190-A194 PolarHBondContact O-N 3.06Å; L191-A194 CarbonylContact O-C 3.6Å; L191-A194 PolarHBondContact O-N 3.02Å; S192-A194 VanDerWaalsContact C-N 3.28Å; S192-A194 PolarHBondContact O-N 3.35Å; A194-V196 HydrophobicContact CB-CG2 4.29Å
195G95.3Very high94.2Very high64 Ų6450 Ų5066%0.6632%0.317SS*.THydrogen-bonded Turntrans77.119.4179.200000114.6L191 S192 L193L191-G195 PolarHBondContact O-N 3.1Å; S192-G195 PolarHBondContact O-N 2.95Å; L193-G195 PolarHBondContact O-N 3.39Å
196V96.1Very high94.1Very high35 Ų3545.7 Ų45.721%0.21229%0.291CS..PPolyproline II helixtrans-77.7125.8177.8-176.10000109.4L191 A194 L272 Y276L191-V196 HydrophobicContact CB-CB 4.29Å; L191-V196 HydrophobicContact CD2-CB 4.4Å; L191-V196 HydrophobicContact CD2-CG2 3.92Å; L191-V196 PolarHBondContact O-N 3.22Å; A194-V196 HydrophobicContact CB-CG2 4.29Å; V196-L272 HydrophobicContact CG1-CD2 3.63Å; V196-Y276 HydrophobicContact CB-CE2 4.38Å; V196-Y276 HydrophobicContact CG1-CD2 4.46Å; V196-Y276 HydrophobicContact CG1-CE2 3.7Å; V196-Y276 PolarHBondContact O-OH 3.48Å
197P94Very high93.8Very high84 Ų8444 Ų4455%0.54528%0.279SS..PPolyproline II helixtrans-65.5147-177.127.3-34.4000111.6L272 Y276P197-L272 HydrophobicContact CG-CD1 4.02Å; P197-L272 HydrophobicContact CG-CD2 3.86Å; P197-Y276 WeakPolarHBondContact O-CE2 3.22Å
198F91.3Very high93.5Very high101 Ų10144.2 Ų44.244%0.44328%0.28SS..PPolyproline II helixtrans-103.5130.1174.2-173.2-86.4000109.2I202 Y276F198-I202 HydrophobicContact CD2-CB 4.21Å; F198-I202 HydrophobicContact CD2-CD1 4.27Å; F198-I202 HydrophobicContact CD2-CG2 4.01Å; F198-I202 HydrophobicContact CE2-CB 3.77Å; F198-I202 HydrophobicContact CE2-CG2 3.49Å; F198-I202 VanDerWaalsContact CE2-CG2 3.49Å; F198-I202 HydrophobicContact CZ-CB 3.97Å; F198-I202 HydrophobicContact CZ-CG2 4.1Å; F198-Y276 AromaticContact CD2-CE1 4Å; F198-Y276 HydrophobicContact CD2-CE1 4Å
199C88.6Confident93.4Very high34 Ų3441.8 Ų41.823%0.2327%0.268CS..  trans-120.6159174.872.80000110.9V201 I202C199-V201 PolarHBondContact O-N 2.84Å; C199-V201 VanDerWaalsContact O-N 3.14Å; C199-I202 VanDerWaalsContact O-CB 3.27Å; C199-I202 WeakPolarHBondContact O-CB 3.39Å; C199-I202 WeakPolarHBondContact O-CG1 3.32Å; C199-I202 PolarHBondContact O-N 3.15Å
200E88.1Confident93.2Very high55 Ų5540.3 Ų40.326%0.25725%0.252SS..G310 helixtrans-64.9-24.4-169.4-56-58.2173.800114.8L124 I202 G203L124-E200 HydrophobicContact CG-CB 4.48Å; L124-E200 HydrophobicContact CG-CG 4.44Å; E200-I202 PolarHBondContact O-N 2.8Å; E200-G203 PolarHBondContact O-N 3.47Å
201V88.3Confident92.9Very high17 Ų1735.7 Ų35.710%0.10323%0.228CC..G310 helixtrans-62.7-31.4174.5-173.90000111.1C199 G203 V204 I673 M737 F741C199-V201 PolarHBondContact O-N 2.84Å; C199-V201 VanDerWaalsContact O-N 3.14Å; V201-G203 PolarHBondContact O-N 2.95Å; V201-V204 PolarHBondContact O-N 3.35Å; V201-I673 HydrophobicContact CG1-CD1 3.41Å; V201-I673 VanDerWaalsContact CG1-CD1 3.41Å; V201-M737 HydrophobicContact CG2-SD 4.18Å; V201-F741 HydrophobicContact CG1-CE2 4.28Å; V201-F741 HydrophobicContact CG1-CZ 4.2Å
202I92.1Very high92.6Very high1 Ų135.2 Ų35.21%0.00523%0.226CC..G310 helixtrans-68.4-22.1176.4-52.9169.2000110.8F198 C199 E200 V204 M205 P206 L272 Y276F198-I202 HydrophobicContact CD2-CB 4.21Å; F198-I202 HydrophobicContact CD2-CD1 4.27Å; F198-I202 HydrophobicContact CD2-CG2 4.01Å; F198-I202 HydrophobicContact CE2-CB 3.77Å; F198-I202 HydrophobicContact CE2-CG2 3.49Å; F198-I202 VanDerWaalsContact CE2-CG2 3.49Å; F198-I202 HydrophobicContact CZ-CB 3.97Å; F198-I202 HydrophobicContact CZ-CG2 4.1Å; C199-I202 VanDerWaalsContact O-CB 3.27Å; C199-I202 WeakPolarHBondContact O-CB 3.39Å; C199-I202 WeakPolarHBondContact O-CG1 3.32Å; C199-I202 PolarHBondContact O-N 3.15Å; E200-I202 PolarHBondContact O-N 2.8Å; I202-V204 PolarHBondContact O-N 2.77Å; I202-M205 HydrophobicContact CG2-CB 4.35Å; I202-M205 VanDerWaalsContact O-CB 3.22Å; I202-M205 WeakPolarHBondContact O-CB 3.42Å; I202-M205 PolarHBondContact O-N 3.34Å; I202-P206 WeakPolarHBondContact O-CD 3.42Å; I202-L272 HydrophobicContact CD1-CB 3.94Å; I202-Y276 HydrophobicContact CD1-CD2 3.63Å; I202-Y276 HydrophobicContact CD1-CE2 3.71Å; I202-Y276 HydrophobicContact CD1-CG 4.18Å; I202-Y276 HydrophobicContact CG2-CD1 3.97Å; I202-Y276 HydrophobicContact CG2-CD2 4.36Å; I202-Y276 HydrophobicContact CG2-CG 3.83Å
203G90.7Very high92.5Very high15 Ų1531.4 Ų31.416%0.15520%0.199CC..G310 helixtrans-57.4-20.7176.400000114.4E200 V201E200-G203 PolarHBondContact O-N 3.47Å; V201-G203 PolarHBondContact O-N 2.95Å
204V90.8Very high92.3Very high0 Ų024.2 Ų24.20%016%0.161CC..G310 helixtrans-84-25175.7-174.70000112.4L131 V201 I202 F207 L208 L730 F741L131-V204 HydrophobicContact CD1-CG2 4.15Å; L131-V204 HydrophobicContact CD2-CG2 4.31Å; V201-V204 PolarHBondContact O-N 3.35Å; I202-V204 PolarHBondContact O-N 2.77Å; V204-F207 WeakPolarHBondContact O-CB 3.44Å; V204-F207 PolarHBondContact O-N 2.83Å; V204-F207 VanDerWaalsContact O-N 3.08Å; V204-L208 HydrophobicContact CG1-CD1 3.98Å; V204-L208 HydrophobicContact CG1-CG 4.43Å; V204-L730 HydrophobicContact CG1-CD1 3.78Å; V204-F741 HydrophobicContact CG1-CB 4.42Å; V204-F741 HydrophobicContact CG1-CD1 4.04Å; V204-F741 HydrophobicContact CG1-CD2 4.35Å; V204-F741 HydrophobicContact CG1-CE1 4.42Å; V204-F741 HydrophobicContact CG1-CG 4.05Å; V204-F741 HydrophobicContact CG2-CD2 4.2Å; V204-F741 HydrophobicContact CG2-CE2 4.29Å
205M92.5Very high92Very high1 Ų121.5 Ų21.51%0.00514%0.137CC..Hα-helixtrans-53.3-46.8-176.7179.7-144.579.500113.4V184 I202 F207 L208 V209 F273 Y276 T277 A280V184-M205 HydrophobicContact CG1-CE 3.63Å; V184-M205 HydrophobicContact CG2-CE 4.39Å; I202-M205 HydrophobicContact CG2-CB 4.35Å; I202-M205 VanDerWaalsContact O-CB 3.22Å; I202-M205 WeakPolarHBondContact O-CB 3.42Å; I202-M205 PolarHBondContact O-N 3.34Å; M205-F207 PolarHBondContact O-N 2.85Å; M205-L208 PolarHBondContact O-N 3.11Å; M205-L208 VanDerWaalsContact O-N 3.11Å; M205-V209 HydrophobicContact CG-CG2 3.8Å; M205-V209 WeakPolarHBondContact O-CG2 3.32Å; M205-V209 PolarHBondContact O-N 3.36Å; M205-F273 HydrophobicContact CB-CD2 4.43Å; M205-F273 HydrophobicContact CB-CE2 3.83Å; M205-F273 HydrophobicContact CB-CZ 4.29Å; M205-Y276 VanDerWaalsContact SD-C 3.57Å; M205-T277 WeakPolarHBondContact CG-OG1 3.49Å; M205-A280 HydrophobicContact CE-CB 3.99Å; M205-A280 HydrophobicContact SD-CB 4.05Å
206P93.8Very high91.8Very high13 Ų1318.4 Ų18.48%0.08411%0.105CC..Hα-helixtrans-58.5-34.1179.6-28.338.5000113.8M135 V184 I188 I202 L208 I210M135-P206 HydrophobicContact CE-CB 3.25Å; M135-P206 HydrophobicContact CE-CG 4.34Å; M135-P206 HydrophobicContact SD-CB 3.8Å; V184-P206 HydrophobicContact CG1-CB 3.89Å; V184-P206 HydrophobicContact CG1-CG 3.93Å; I188-P206 HydrophobicContact CD1-CG 4.44Å; I202-P206 WeakPolarHBondContact O-CD 3.42Å; P206-L208 PolarHBondContact O-N 3.15Å; P206-I210 VanDerWaalsContact O-CB 3.32Å; P206-I210 WeakPolarHBondContact O-CB 3.46Å; P206-I210 WeakPolarHBondContact O-CD1 3.31Å; P206-I210 WeakPolarHBondContact O-CG1 3.4Å; P206-I210 PolarHBondContact O-N 2.91Å
207F92.9Very high91.7Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-62.5-39.8179.2-69.6-96.3000111.6L131 K134 M135 M138 V204 M205 S211 V729 L730L131-F207 HydrophobicContact CB-CE2 4.44Å; L131-F207 HydrophobicContact CD2-CE2 3.94Å; L131-F207 HydrophobicContact CD2-CZ 4.4Å; K134-F207 HydrophobicContact CB-CE1 4.07Å; K134-F207 HydrophobicContact CB-CZ 3.84Å; M135-F207 HydrophobicContact CB-CZ 4.28Å; M135-F207 HydrophobicContact CG-CD2 4.43Å; M135-F207 HydrophobicContact CG-CE1 4.31Å; M135-F207 HydrophobicContact CG-CE2 3.65Å; M135-F207 HydrophobicContact CG-CZ 3.57Å; M135-F207 HydrophobicContact SD-CD1 3.92Å; M135-F207 HydrophobicContact SD-CD2 3.32Å; M135-F207 WeakPolarHBondContact SD-CD2 3.14Å; M135-F207 HydrophobicContact SD-CE1 3.73Å; M135-F207 HydrophobicContact SD-CE2 3.12Å; M135-F207 WeakPolarHBondContact SD-CE2 3.49Å; M135-F207 HydrophobicContact SD-CG 3.72Å; M135-F207 HydrophobicContact SD-CZ 3.33Å; M135-F207 WeakPolarHBondContact SD-CZ 3.36Å; M138-F207 HydrophobicContact CB-CD1 3.9Å; M138-F207 HydrophobicContact CB-CE1 3.92Å; M138-F207 HydrophobicContact CE-CD1 4.32Å; M138-F207 HydrophobicContact CG-CD1 4Å; M138-F207 WeakPolarHBondContact SD-CA 3.46Å; M138-F207 HydrophobicContact SD-CB 3.83Å; M138-F207 HydrophobicContact SD-CD1 3.42Å; M138-F207 WeakPolarHBondContact SD-CD1 3.06Å; M138-F207 HydrophobicContact SD-CE1 4.28Å; M138-F207 HydrophobicContact SD-CG 3.9Å; V204-F207 WeakPolarHBondContact O-CB 3.44Å; V204-F207 PolarHBondContact O-N 2.83Å; V204-F207 VanDerWaalsContact O-N 3.08Å; M205-F207 PolarHBondContact O-N 2.85Å; F207-S211 VanDerWaalsContact O-CB 3.26Å; F207-S211 WeakPolarHBondContact O-CB 3.42Å; F207-S211 PolarHBondContact O-N 2.6Å; F207-S211 PolarHBondContact O-OG 2.78Å; F207-V729 HydrophobicContact CE1-CG1 4.49Å; F207-L730 HydrophobicContact CB-CD1 4.26Å; F207-L730 HydrophobicContact CD1-CD2 3.75Å; F207-L730 HydrophobicContact CD1-CG 4.18Å; F207-L730 HydrophobicContact CD2-CD2 3.84Å; F207-L730 HydrophobicContact CE1-CD2 3.77Å; F207-L730 HydrophobicContact CE2-CD2 3.83Å; F207-L730 HydrophobicContact CG-CD1 4.38Å; F207-L730 HydrophobicContact CG-CD2 3.79Å; F207-L730 HydrophobicContact CG-CG 4.27Å; F207-L730 HydrophobicContact CZ-CD2 3.81Å
208L90.3Very high91.6Very high4 Ų412.9 Ų12.92%0.0217%0.07CC..Hα-helixtrans-79.4-51.4-175.8-62.5163.2000111.5V204 M205 P206 I210 S211 V212 F273 M677 V727 V745V204-L208 HydrophobicContact CG1-CD1 3.98Å; V204-L208 HydrophobicContact CG1-CG 4.43Å; M205-L208 PolarHBondContact O-N 3.11Å; M205-L208 VanDerWaalsContact O-N 3.11Å; P206-L208 PolarHBondContact O-N 3.15Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 PolarHBondContact O-N 3.36Å; L208-S211 PolarHBondContact O-N 2.84Å; L208-S211 PolarHBondContact O-OG 2.9Å; L208-S211 VanDerWaalsContact O-OG 3.05Å; L208-V212 WeakPolarHBondContact O-CB 3.46Å; L208-V212 VanDerWaalsContact O-CG2 3.31Å; L208-V212 WeakPolarHBondContact O-CG2 3.27Å; L208-V212 PolarHBondContact O-N 3.27Å; L208-F273 HydrophobicContact CD1-CZ 4.31Å; L208-M677 HydrophobicContact CB-CE 4.37Å; L208-M677 HydrophobicContact CD1-CE 3.27Å; L208-M677 HydrophobicContact CD1-SD 3.52Å; L208-M677 VanDerWaalsContact CD1-SD 3.52Å; L208-M677 HydrophobicContact CD2-CE 3.54Å; L208-M677 HydrophobicContact CG-CE 3.88Å; L208-V727 HydrophobicContact CD2-CG2 3.57Å; L208-V745 HydrophobicContact CD2-CG1 4.22Å; L208-V745 HydrophobicContact CD2-CG2 3.96Å
209V93.5Very high91.6Very high2 Ų28.6 Ų8.61%0.0125%0.051CC..Hα-helixtrans-62-42.1-176.4175.50000110.6V184 M205 R213 T277 A280 M281 T284V184-V209 HydrophobicContact CG2-CB 3.89Å; V184-V209 HydrophobicContact CG2-CG1 3.61Å; M205-V209 HydrophobicContact CG-CG2 3.8Å; M205-V209 WeakPolarHBondContact O-CG2 3.32Å; M205-V209 PolarHBondContact O-N 3.36Å; V209-R213 HydrophobicContact CG1-CG 4.09Å; V209-R213 VanDerWaalsContact O-CB 3.27Å; V209-R213 WeakPolarHBondContact O-CB 3.47Å; V209-R213 WeakPolarHBondContact O-CG 3.46Å; V209-R213 PolarHBondContact O-N 2.91Å; V209-T277 HydrophobicContact CG2-CG2 4.1Å; V209-A280 HydrophobicContact CG1-CB 4.19Å; V209-A280 HydrophobicContact CG2-CB 4.28Å; V209-M281 HydrophobicContact CG1-SD 4.13Å; V209-M281 HydrophobicContact CG2-CE 4.14Å; V209-M281 HydrophobicContact CG2-SD 4.49Å; V209-T284 HydrophobicContact CG1-CG2 4.02Å
210I94.5Very high91.7Very high2 Ų27.1 Ų7.11%0.014%0.041CC..Hα-helixtrans-68.4-43.7-179.9-63.2175000111M135 M138 F139 L142 V177 A180 V184 P206 L208 L214M135-I210 HydrophobicContact CE-CD1 4.17Å; M138-I210 HydrophobicContact CE-CB 4.31Å; M138-I210 HydrophobicContact CE-CD1 4.05Å; M138-I210 HydrophobicContact CE-CG2 4.38Å; F139-I210 HydrophobicContact CE1-CD1 3.83Å; F139-I210 HydrophobicContact CE1-CG2 4.33Å; F139-I210 HydrophobicContact CE2-CD1 3.96Å; F139-I210 HydrophobicContact CZ-CD1 3.31Å; L142-I210 HydrophobicContact CD1-CG2 4.07Å; V177-I210 HydrophobicContact CG1-CG2 4.29Å; A180-I210 HydrophobicContact CB-CG1 4.45Å; A180-I210 HydrophobicContact CB-CG2 4.28Å; V184-I210 HydrophobicContact CG2-CD1 4.44Å; V184-I210 HydrophobicContact CG2-CG1 3.9Å; P206-I210 VanDerWaalsContact O-CB 3.32Å; P206-I210 WeakPolarHBondContact O-CB 3.46Å; P206-I210 WeakPolarHBondContact O-CD1 3.31Å; P206-I210 WeakPolarHBondContact O-CG1 3.4Å; P206-I210 PolarHBondContact O-N 2.91Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 PolarHBondContact O-N 3.36Å; I210-L214 PolarHBondContact O-N 2.62Å
211S92.1Very high91.8Very high0 Ų04.8 Ų4.80%03%0.03CC..Hα-helixtrans-68.5-40.9-178.870.30000112.1F207 L208 L214F207-S211 VanDerWaalsContact O-CB 3.26Å; F207-S211 WeakPolarHBondContact O-CB 3.42Å; F207-S211 PolarHBondContact O-N 2.6Å; F207-S211 PolarHBondContact O-OG 2.78Å; L208-S211 PolarHBondContact O-N 2.84Å; L208-S211 PolarHBondContact O-OG 2.9Å; L208-S211 VanDerWaalsContact O-OG 3.05Å; S211-L214 WeakPolarHBondContact O-CB 3.46Å
212V91Very high91.8Very high4 Ų44.5 Ų4.52%0.0243%0.03CC..Hα-helixtrans-65-60.2177.31720000109.1L208 L214 D215 F681 T723L208-V212 WeakPolarHBondContact O-CB 3.46Å; L208-V212 VanDerWaalsContact O-CG2 3.31Å; L208-V212 WeakPolarHBondContact O-CG2 3.27Å; L208-V212 PolarHBondContact O-N 3.27Å; V212-L214 PolarHBondContact O-N 3.13Å; V212-D215 WeakPolarHBondContact O-CB 3.09Å; V212-D215 PolarHBondContact O-N 3.48Å; V212-F681 HydrophobicContact CB-CE1 4.01Å; V212-F681 HydrophobicContact CB-CZ 4.06Å; V212-F681 HydrophobicContact CG1-CD1 3.95Å; V212-F681 HydrophobicContact CG1-CE1 3.7Å; V212-F681 HydrophobicContact CG1-CZ 4.27Å; V212-F681 HydrophobicContact CG2-CD1 4.04Å; V212-F681 HydrophobicContact CG2-CD2 3.97Å; V212-F681 HydrophobicContact CG2-CE1 3.59Å; V212-F681 HydrophobicContact CG2-CE2 3.47Å; V212-F681 VanDerWaalsContact CG2-CE2 3.47Å; V212-F681 HydrophobicContact CG2-CG 4.24Å; V212-F681 HydrophobicContact CG2-CZ 3.28Å; V212-T723 HydrophobicContact CG2-CG2 4.03Å
213R93.1Very high91.7Very high1 Ų15.3 Ų5.30%0.0044%0.035CC..Hα-helixtrans-56.8-13-175.9-65.3-65.383.2138.16.3115.6A180 V209 D215 N216 D255 M281 T284 Q288A180-R213 HydrophobicContact CB-CB 4.12Å; V209-R213 HydrophobicContact CG1-CG 4.09Å; V209-R213 VanDerWaalsContact O-CB 3.27Å; V209-R213 WeakPolarHBondContact O-CB 3.47Å; V209-R213 WeakPolarHBondContact O-CG 3.46Å; V209-R213 PolarHBondContact O-N 2.91Å; R213-D215 VanDerWaalsContact CA-OD1 3.31Å; R213-D215 WeakPolarHBondContact CA-OD1 3.15Å; R213-D215 PolarHBondContact O-N 3.49Å; R213-N216 PolarHBondContact O-N 3.01Å; R213-D255 IonicContact CZ-OD2 2.62Å; R213-D255 IonicContact NH1-OD2 3.29Å; R213-D255 PolarHBondContact NH1-OD2 3.41Å; R213-D255 IonicContact NH2-OD2 3.88Å; R213-D255 PolarHBondContact NH2-OD2 2.93Å; R213-M281 HydrophobicContact CG-SD 4.44Å; R213-M281 PolarHBondContact NH1-SD 3.2Å; R213-T284 HydrophobicContact CG-CG2 4.35Å; R213-Q288 PolarHBondContact O-NE2 2.87Å
214L92Very high91.6Very high1 Ų14.6 Ų4.61%0.0053%0.028CC..Hα-helixtrans-62.4-29.6168.1-163.778000112.1A146 V177 I210 S211 V212 N216 T217 F218 A722A146-L214 HydrophobicContact CB-CD1 4.12Å; A146-L214 HydrophobicContact CB-CD2 3.98Å; V177-L214 HydrophobicContact CB-CD1 4.43Å; V177-L214 HydrophobicContact CG2-CD1 3.39Å; I210-L214 PolarHBondContact O-N 2.62Å; S211-L214 WeakPolarHBondContact O-CB 3.46Å; V212-L214 PolarHBondContact O-N 3.13Å; L214-N216 VanDerWaalsContact C-N 3.32Å; L214-N216 PolarHBondContact O-N 2.95Å; L214-T217 WeakPolarHBondContact O-CA 3.49Å; L214-T217 VanDerWaalsContact O-CB 3.23Å; L214-T217 WeakPolarHBondContact O-CB 3.41Å; L214-T217 PolarHBondContact O-N 3.15Å; L214-F218 HydrophobicContact CD2-CE2 3.47Å; L214-F218 VanDerWaalsContact CD2-CE2 3.47Å; L214-F218 HydrophobicContact CD2-CZ 3.55Å; L214-F218 HydrophobicContact CG-CD2 4.39Å; L214-F218 HydrophobicContact CG-CE2 3.73Å; L214-F218 HydrophobicContact CG-CZ 3.91Å; L214-F218 WeakPolarHBondContact O-CD2 3.35Å; L214-F218 PolarHBondContact O-N 2.87Å; L214-F218 VanDerWaalsContact O-N 3.13Å; L214-A722 HydrophobicContact CD2-CB 3.49Å; L214-A722 VanDerWaalsContact CD2-CB 3.49Å
215D90.6Very high91.3Very high17 Ų175.2 Ų5.29%0.0913%0.03CC..Hα-helixtrans-51.4-47.317464.6-10.3000112.7V212 R213 T217 F218 L219V212-D215 WeakPolarHBondContact O-CB 3.09Å; V212-D215 PolarHBondContact O-N 3.48Å; R213-D215 VanDerWaalsContact CA-OD1 3.31Å; R213-D215 WeakPolarHBondContact CA-OD1 3.15Å; R213-D215 PolarHBondContact O-N 3.49Å; D215-T217 PolarHBondContact O-N 3.12Å; D215-F218 CarbonylContact O-C 3.59Å; D215-F218 PolarHBondContact O-N 3.38Å; D215-L219 WeakPolarHBondContact O-CB 3.42Å; D215-L219 PolarHBondContact O-N 3.46Å
216N91.7Very high90.9Very high0 Ų06.5 Ų6.50%04%0.036CC..Hα-helixtrans-64-33179.3-68.3-17.6000110.4R213 L214 L219 M220 I248 Q288R213-N216 PolarHBondContact O-N 3.01Å; L214-N216 VanDerWaalsContact C-N 3.32Å; L214-N216 PolarHBondContact O-N 2.95Å; N216-L219 PolarHBondContact O-N 3.01Å; N216-M220 WeakPolarHBondContact O-CB 3.04Å; N216-M220 VanDerWaalsContact O-CG 3.23Å; N216-M220 WeakPolarHBondContact O-CG 3.27Å; N216-M220 PolarHBondContact O-N 2.86Å; N216-I248 HydrophobicContact CB-CD1 4.33Å; N216-I248 HydrophobicContact CB-CG1 4.11Å; N216-I248 HydrophobicContact CB-CG2 4.5Å; N216-Q288 PolarHBondContact ND2-NE2 3.12Å; N216-Q288 VanDerWaalsContact ND2-NE2 3.13Å; N216-Q288 PolarHBondContact ND2-OE1 3.49Å
217T93.5Very high90.5Very high2 Ų26 Ų61%0.0123%0.033CC..Hα-helixtrans-65.2-46173.7-54.60000110.6G176 L214 D215 L219 M220 V221 L292G176-T217 WeakPolarHBondContact CA-OG1 3.3Å; L214-T217 WeakPolarHBondContact O-CA 3.49Å; L214-T217 VanDerWaalsContact O-CB 3.23Å; L214-T217 WeakPolarHBondContact O-CB 3.41Å; L214-T217 PolarHBondContact O-N 3.15Å; D215-T217 PolarHBondContact O-N 3.12Å; T217-L219 VanDerWaalsContact C-N 3.33Å; T217-L219 PolarHBondContact O-N 3.31Å; T217-M220 PolarHBondContact O-N 3.19Å; T217-V221 WeakPolarHBondContact O-CB 3.41Å; T217-V221 VanDerWaalsContact O-CG2 3.26Å; T217-V221 WeakPolarHBondContact O-CG2 3.41Å; T217-V221 PolarHBondContact O-N 2.9Å; T217-L292 HydrophobicContact CG2-CD1 4.2Å; T217-L292 HydrophobicContact CG2-CD2 4.15Å; T217-L292 WeakPolarHBondContact OG1-CD2 3.13Å
218F92.6Very high89.9Confident1 Ų112.6 Ų12.60%0.0046%0.058CC..Hα-helixtrans-66-36.6176.3-61.5-48.6000112.4F145 A146 C149 T150 L214 D215 V221 S222 Q718 A722F145-F218 HydrophobicContact CE1-CE2 4.34Å; F145-F218 HydrophobicContact CE1-CZ 4.23Å; A146-F218 HydrophobicContact CB-CE1 4.3Å; A146-F218 HydrophobicContact CB-CZ 4.03Å; C149-F218 HydrophobicContact CB-CE1 4.09Å; C149-F218 HydrophobicContact CB-CZ 4.26Å; T150-F218 HydrophobicContact CG2-CD1 4.19Å; T150-F218 HydrophobicContact CG2-CE1 4.04Å; L214-F218 HydrophobicContact CD2-CE2 3.47Å; L214-F218 VanDerWaalsContact CD2-CE2 3.47Å; L214-F218 HydrophobicContact CD2-CZ 3.55Å; L214-F218 HydrophobicContact CG-CD2 4.39Å; L214-F218 HydrophobicContact CG-CE2 3.73Å; L214-F218 HydrophobicContact CG-CZ 3.91Å; L214-F218 WeakPolarHBondContact O-CD2 3.35Å; L214-F218 PolarHBondContact O-N 2.87Å; L214-F218 VanDerWaalsContact O-N 3.13Å; D215-F218 CarbonylContact O-C 3.59Å; D215-F218 PolarHBondContact O-N 3.38Å; F218-V221 PolarHBondContact O-N 3.08Å; F218-S222 WeakPolarHBondContact O-CB 3.3Å; F218-S222 PolarHBondContact O-N 2.71Å; F218-Q718 HydrophobicContact CB-CB 4.48Å; F218-Q718 HydrophobicContact CD2-CB 3.66Å; F218-Q718 HydrophobicContact CE2-CB 3.9Å; F218-Q718 HydrophobicContact CG-CB 4.02Å; F218-Q718 HydrophobicContact CZ-CB 4.49Å; F218-A722 HydrophobicContact CE2-CB 4.28Å
219L90.7Very high89.1Confident10 Ų1014.5 Ų14.55%0.0527%0.065CC..Hα-helixtrans-64.1-46.7176.3-175.561.2000111.8D215 N216 T217 V221 S222 S223 I248 L712D215-L219 WeakPolarHBondContact O-CB 3.42Å; D215-L219 PolarHBondContact O-N 3.46Å; N216-L219 PolarHBondContact O-N 3.01Å; T217-L219 VanDerWaalsContact C-N 3.33Å; T217-L219 PolarHBondContact O-N 3.31Å; L219-V221 PolarHBondContact O-N 2.95Å; L219-S222 PolarHBondContact O-N 2.8Å; L219-S223 PolarHBondContact O-N 3.16Å; L219-I248 HydrophobicContact CD2-CG1 4.03Å; L219-L712 HydrophobicContact CD1-CD2 3.35Å
220M91.4Very high88.3Confident3 Ų319.1 Ų19.12%0.0159%0.093CC..Hα-helixtrans-62.5-40.7175.5-71.9174.867.300112.5N216 T217 S223 L224 M241 A244 I248 L292 L293 L296N216-M220 WeakPolarHBondContact O-CB 3.04Å; N216-M220 VanDerWaalsContact O-CG 3.23Å; N216-M220 WeakPolarHBondContact O-CG 3.27Å; N216-M220 PolarHBondContact O-N 2.86Å; T217-M220 PolarHBondContact O-N 3.19Å; M220-S223 PolarHBondContact O-OG 3.24Å; M220-L224 PolarHBondContact O-N 3.09Å; M220-M241 HydrophobicContact CE-CE 4.28Å; M220-M241 HydrophobicContact CE-SD 4.04Å; M220-A244 HydrophobicContact CG-CB 4.48Å; M220-I248 HydrophobicContact CG-CD1 3.49Å; M220-I248 VanDerWaalsContact CG-CD1 3.49Å; M220-I248 HydrophobicContact SD-CD1 3.89Å; M220-L292 HydrophobicContact CE-CD2 4.34Å; M220-L292 HydrophobicContact CE-CG 4.28Å; M220-L292 HydrophobicContact SD-CD2 3.71Å; M220-L292 HydrophobicContact SD-CG 4.29Å; M220-L293 HydrophobicContact CE-CB 4.17Å; M220-L293 HydrophobicContact CE-CD1 4.17Å; M220-L296 HydrophobicContact CE-CD2 3.91Å
221V90.2Very high87.7Confident6 Ų619.8 Ų19.84%0.03610%0.099CC..Hα-helixtrans-66.1-43.9176.3168.30000110.6T169 L172 T217 F218 L219 L224 F225T169-V221 HydrophobicContact CG2-CG1 4.33Å; T169-V221 WeakPolarHBondContact OG1-CG1 3.45Å; L172-V221 HydrophobicContact CD2-CG2 3.6Å; L172-V221 HydrophobicContact CG-CG2 4.42Å; T217-V221 WeakPolarHBondContact O-CB 3.41Å; T217-V221 VanDerWaalsContact O-CG2 3.26Å; T217-V221 WeakPolarHBondContact O-CG2 3.41Å; T217-V221 PolarHBondContact O-N 2.9Å; F218-V221 PolarHBondContact O-N 3.08Å; L219-V221 PolarHBondContact O-N 2.95Å; V221-L224 PolarHBondContact O-N 2.84Å; V221-F225 HydrophobicContact CG1-CD2 3.95Å; V221-F225 HydrophobicContact CG1-CE1 4.03Å; V221-F225 HydrophobicContact CG1-CE2 3.37Å; V221-F225 HydrophobicContact CG1-CZ 3.41Å; V221-F225 VanDerWaalsContact CG1-CZ 3.41Å; V221-F225 VanDerWaalsContact O-CG 3.29Å; V221-F225 WeakPolarHBondContact O-CG 3.2Å; V221-F225 PolarHBondContact O-N 2.95Å
222S88.4Confident87.6Confident12 Ų1223.8 Ų23.88%0.08413%0.125CC..Hα-helixtrans-62.8-44.5178.5-171.40000111.6F218 L219 L224 F225 H226 S711 P715F218-S222 WeakPolarHBondContact O-CB 3.3Å; F218-S222 PolarHBondContact O-N 2.71Å; L219-S222 PolarHBondContact O-N 2.8Å; S222-L224 VanDerWaalsContact C-N 3.34Å; S222-L224 PolarHBondContact O-N 3.49Å; S222-F225 WeakPolarHBondContact O-CB 3.14Å; S222-F225 PolarHBondContact O-N 3.3Å; S222-F225 VanDerWaalsContact O-N 3.11Å; S222-H226 PolarHBondContact O-N 2.92Å; S222-H226 PolarHBondContact O-ND1 3.43Å; S222-H226 PolarHBondContact OG-CE1 3.46Å; S222-H226 VanDerWaalsContact OG-CE1 3.29Å; S222-H226 PolarHBondContact OG-ND1 2.8Å; S222-S711 PolarHBondContact OG-O 3.32Å; S222-P715 VanDerWaalsContact CB-CG 3.41Å; S222-P715 WeakPolarHBondContact OG-CG 3.47Å
223S89.1Confident87.5Confident17 Ų1724.9 Ų24.912%0.11913%0.132CC..Hα-helixtrans-62.4-42178.370.60000111.6L219 M220 F225 H226 T227 A240 A244L219-S223 PolarHBondContact O-N 3.16Å; M220-S223 PolarHBondContact O-OG 3.24Å; S223-F225 VanDerWaalsContact C-N 3.28Å; S223-F225 PolarHBondContact O-N 3.16Å; S223-H226 PolarHBondContact O-N 2.93Å; S223-T227 WeakPolarHBondContact O-CG2 3.46Å; S223-T227 PolarHBondContact O-N 3.06Å; S223-A240 VanDerWaalsContact CB-O 3.24Å; S223-A240 WeakPolarHBondContact CB-O 3.46Å; S223-A240 PolarHBondContact OG-O 2.82Å; S223-A244 WeakPolarHBondContact OG-CB 3.03Å
224L88.8Confident87.4Confident0 Ų030.5 Ų30.50%017%0.166CC..Hα-helixtrans-61.2-37.6173.9-178.563.3000112.2M220 V221 S222 T227 R236 I237 A240 L296 A300M220-L224 PolarHBondContact O-N 3.09Å; V221-L224 PolarHBondContact O-N 2.84Å; S222-L224 VanDerWaalsContact C-N 3.34Å; S222-L224 PolarHBondContact O-N 3.49Å; L224-T227 PolarHBondContact O-N 3.19Å; L224-T227 PolarHBondContact O-OG1 3.46Å; L224-R236 HydrophobicContact CD1-CB 4.36Å; L224-R236 PolarHBondContact O-NH2 2.98Å; L224-I237 HydrophobicContact CD1-CD1 4.19Å; L224-A240 HydrophobicContact CB-CB 4.19Å; L224-A240 HydrophobicContact CD1-CB 4.32Å; L224-L296 HydrophobicContact CB-CD1 4.39Å; L224-L296 HydrophobicContact CD2-CD1 3.6Å; L224-L296 HydrophobicContact CD2-CG 4.23Å; L224-A300 HydrophobicContact CD1-CB 4.5Å; L224-A300 HydrophobicContact CD2-CB 4.27Å
225F85.5Confident87.4Confident13 Ų1334.9 Ų34.96%0.05719%0.186CC..Hα-helixtrans-67.5-34.4177.8-71.2-10.6000113T152 R167 T169 V221 S222 S223 T227 E372 T374T152-F225 HydrophobicContact CG2-CE2 3.94Å; T152-F225 HydrophobicContact CG2-CZ 4.32Å; R167-F225 HydrophobicContact CG-CD1 3.87Å; R167-F225 HydrophobicContact CG-CE1 3.64Å; R167-F225 HydrophobicContact CG-CZ 4.1Å; R167-F225 PolarHBondContact NH2-O 2.92Å; R167-F225 WeakPolarHBondContact O-CE1 3.43Å; R167-F225 WeakPolarHBondContact O-CZ 3.3Å; T169-F225 HydrophobicContact CG2-CE1 3.97Å; T169-F225 HydrophobicContact CG2-CZ 3.86Å; V221-F225 HydrophobicContact CG1-CD2 3.95Å; V221-F225 HydrophobicContact CG1-CE1 4.03Å; V221-F225 HydrophobicContact CG1-CE2 3.37Å; V221-F225 HydrophobicContact CG1-CZ 3.41Å; V221-F225 VanDerWaalsContact CG1-CZ 3.41Å; V221-F225 VanDerWaalsContact O-CG 3.29Å; V221-F225 WeakPolarHBondContact O-CG 3.2Å; V221-F225 PolarHBondContact O-N 2.95Å; S222-F225 WeakPolarHBondContact O-CB 3.14Å; S222-F225 PolarHBondContact O-N 3.3Å; S222-F225 VanDerWaalsContact O-N 3.11Å; S223-F225 VanDerWaalsContact C-N 3.28Å; S223-F225 PolarHBondContact O-N 3.16Å; F225-T227 VanDerWaalsContact C-N 3.25Å; F225-T227 PolarHBondContact O-N 2.98Å; F225-E372 CarbonylContact C-O 3.55Å; F225-T374 HydrophobicContact CD2-CG2 4.43Å
226H83.2Confident87.4Confident28 Ų2834.3 Ų34.313%0.1318%0.183CC..Hα-helixtrans-74.1-14.9178.2-70.692.8000113.4S222 S223 S377S222-H226 PolarHBondContact O-N 2.92Å; S222-H226 PolarHBondContact O-ND1 3.43Å; S222-H226 PolarHBondContact OG-CE1 3.46Å; S222-H226 VanDerWaalsContact OG-CE1 3.29Å; S222-H226 PolarHBondContact OG-ND1 2.8Å; S223-H226 PolarHBondContact O-N 2.93Å; H226-S377 PolarHBondContact NE2-OG 3.31Å
227T85Confident87.4Confident3 Ų335.4 Ų35.42%0.01819%0.188CC..SBendtrans-70.1154173.769.50000112.8S223 L224 F225 R229 R236 E239 A240S223-T227 WeakPolarHBondContact O-CG2 3.46Å; S223-T227 PolarHBondContact O-N 3.06Å; L224-T227 PolarHBondContact O-N 3.19Å; L224-T227 PolarHBondContact O-OG1 3.46Å; F225-T227 VanDerWaalsContact C-N 3.25Å; F225-T227 PolarHBondContact O-N 2.98Å; T227-R229 PolarHBondContact O-N 3.26Å; T227-R236 WeakPolarHBondContact CG2-O 3.13Å; T227-R236 PolarHBondContact OG1-NE 2.73Å; T227-E239 HydrophobicContact CG2-CB 4.12Å; T227-E239 HydrophobicContact CG2-CG 4.12Å; T227-A240 HydrophobicContact CG2-CB 3.88Å
228R80.6Confident87.4Confident138 Ų13838.2 Ų38.252%0.52121%0.212SC..  trans-69.4121.2178.4-66.7-179.4-69.3179.91.5111.2T230 A231 R236R228-T230 PolarHBondContact O-N 3.42Å; R228-T230 VanDerWaalsContact O-N 3.14Å; R228-A231 WeakPolarHBondContact O-CB 3.23Å; R228-A231 PolarHBondContact O-N 3.23Å; R228-R236 VanDerWaalsContact O-CD 3.31Å; R228-R236 WeakPolarHBondContact O-CD 3.39Å
229R73.6Confident87.2Confident45 Ų4541.8 Ų41.817%0.1723%0.229CC..THydrogen-bonded Turntrans-59.8-26.7-179.5-73.1176.4-173.5-144.4-6.3114.5D164 T227 A231 E372D164-R229 IonicContact OD2-NH1 3.32Å; D164-R229 IonicContact OD2-NH2 2.93Å; T227-R229 PolarHBondContact O-N 3.26Å; R229-A231 VanDerWaalsContact C-N 3.32Å; R229-E372 WeakPolarHBondContact CD-OE2 3.17Å; R229-E372 WeakPolarHBondContact CG-OE2 3.49Å; R229-E372 IonicContact NE-OE2 3.03Å; R229-E372 PolarHBondContact NE-OE2 2.87Å
230T77Confident87.1Confident98 Ų9841.4 Ų41.460%0.60123%0.227SC*.THydrogen-bonded Turntrans-78.7-16.5-176.850.80000113.4R228R228-T230 PolarHBondContact O-N 3.42Å; R228-T230 VanDerWaalsContact O-N 3.14Å
231A82.7Confident87.2Confident17 Ų1742.3 Ų42.314%0.1423%0.231CC..SBendtrans-73.3152.2-179.100000112R228 R229 R236R228-A231 WeakPolarHBondContact O-CB 3.23Å; R228-A231 PolarHBondContact O-N 3.23Å; R229-A231 VanDerWaalsContact C-N 3.32Å; A231-R236 HydrophobicContact CB-CG 3.83Å; A231-R236 WeakPolarHBondContact O-CD 3.39Å
232P88.4Confident87.1Confident83 Ų8345 Ų4554%0.53925%0.251SS..  trans-54.4147171.9-2333.1000112.2V234 E235 R236P232-V234 PolarHBondContact O-N 3.41Å; P232-V234 VanDerWaalsContact O-N 3.16Å; P232-E235 WeakPolarHBondContact CD-OE2 3.32Å; P232-E235 PolarHBondContact O-N 3.45Å; P232-E235 VanDerWaalsContact O-N 3.09Å; P232-R236 PolarHBondContact O-N 2.98Å
233V89.3Confident86.8Confident28 Ų2847.9 Ų47.917%0.1727%0.265CS..Hα-helixtrans-55.4-39.1-176.7177.90000112.8R236 I237 A300 R301 A304V233-R236 PolarHBondContact O-N 3.3Å; V233-I237 HydrophobicContact CG1-CG1 4.33Å; V233-I237 VanDerWaalsContact O-CG1 3.31Å; V233-I237 WeakPolarHBondContact O-CG1 3.32Å; V233-I237 PolarHBondContact O-N 3.45Å; V233-A300 HydrophobicContact CG1-CB 3.81Å; V233-R301 HydrophobicContact CG1-CG 3.95Å; V233-A304 HydrophobicContact CG2-CB 3.5Å; V233-A304 VanDerWaalsContact CG2-CB 3.5Å
234V92.1Very high86.8Confident118 Ų11847.1 Ų47.172%0.71526%0.26SS*.Hα-helixtrans-65.4-43-179.5179.60000111.2P232 I237 A238P232-V234 PolarHBondContact O-N 3.41Å; P232-V234 VanDerWaalsContact O-N 3.16Å; V234-I237 PolarHBondContact O-N 3.21Å; V234-A238 WeakPolarHBondContact O-CB 3.29Å; V234-A238 PolarHBondContact O-N 2.92Å
235E91.5Very high86.8Confident94 Ų9448.4 Ų48.444%0.43927%0.27SS..Hα-helixtrans-65.9-43.2178.1-171.7179.5164.500110.9P232 I237 A238 E239P232-E235 WeakPolarHBondContact CD-OE2 3.32Å; P232-E235 PolarHBondContact O-N 3.45Å; P232-E235 VanDerWaalsContact O-N 3.09Å; E235-I237 PolarHBondContact O-N 3.42Å; E235-A238 PolarHBondContact O-N 2.64Å; E235-E239 WeakPolarHBondContact O-CB 3.05Å; E235-E239 PolarHBondContact O-N 2.98Å
236R89.3Confident86.9Confident5 Ų550.1 Ų50.12%0.01928%0.282CS..Hα-helixtrans-60.3-45175.8-69.8-176.864-151.9-2.7112.5L224 T227 R228 A231 P232 V233 A238 A240 E303L224-R236 HydrophobicContact CD1-CB 4.36Å; L224-R236 PolarHBondContact O-NH2 2.98Å; T227-R236 WeakPolarHBondContact CG2-O 3.13Å; T227-R236 PolarHBondContact OG1-NE 2.73Å; R228-R236 VanDerWaalsContact O-CD 3.31Å; R228-R236 WeakPolarHBondContact O-CD 3.39Å; A231-R236 HydrophobicContact CB-CG 3.83Å; A231-R236 WeakPolarHBondContact O-CD 3.39Å; P232-R236 PolarHBondContact O-N 2.98Å; V233-R236 PolarHBondContact O-N 3.3Å; R236-A238 VanDerWaalsContact C-N 3.34Å; R236-A240 WeakPolarHBondContact O-CB 3.36Å; R236-A240 PolarHBondContact O-N 3.49Å; R236-E303 IonicContact CZ-OE2 3.47Å; R236-E303 IonicContact NH1-OE1 3.66Å; R236-E303 IonicContact NH1-OE2 3.67Å; R236-E303 PolarHBondContact NH1-OE2 3.04Å; R236-E303 IonicContact NH2-OE1 2.7Å; R236-E303 PolarHBondContact NH2-OE1 3.16Å; R236-E303 IonicContact NH2-OE2 2.98Å; R236-E303 PolarHBondContact NH2-OE2 3.37Å
237I92.5Very high87.2Confident22 Ų2249 Ų4911%0.11328%0.277CS..Hα-helixtrans-66.8-39.7178.4-66.7-70.3000110.5L224 V233 V234 E235 A240 M241 L296 V297 A300L224-I237 HydrophobicContact CD1-CD1 4.19Å; V233-I237 HydrophobicContact CG1-CG1 4.33Å; V233-I237 VanDerWaalsContact O-CG1 3.31Å; V233-I237 WeakPolarHBondContact O-CG1 3.32Å; V233-I237 PolarHBondContact O-N 3.45Å; V234-I237 PolarHBondContact O-N 3.21Å; E235-I237 PolarHBondContact O-N 3.42Å; I237-A240 PolarHBondContact O-N 3.49Å; I237-M241 HydrophobicContact CG2-CG 4.18Å; I237-M241 VanDerWaalsContact O-CB 3.26Å; I237-M241 WeakPolarHBondContact O-CB 2.92Å; I237-M241 VanDerWaalsContact O-CG 3.25Å; I237-M241 WeakPolarHBondContact O-CG 3.06Å; I237-M241 PolarHBondContact O-N 3.17Å; I237-L296 HydrophobicContact CD1-CD2 4.15Å; I237-L296 HydrophobicContact CD1-CG 4.07Å; I237-V297 HydrophobicContact CD1-CG2 4.18Å; I237-V297 HydrophobicContact CG1-CG2 4.23Å; I237-V297 HydrophobicContact CG2-CG2 4.12Å; I237-A300 HydrophobicContact CD1-CB 3.92Å; I237-A300 HydrophobicContact CG1-CB 4.3Å
238A92.7Very high87.4Confident62 Ų6249 Ų4951%0.51228%0.276SS..Hα-helixtrans-62.6-44.9177.500000112.1V234 E235 R236 S242V234-A238 WeakPolarHBondContact O-CB 3.29Å; V234-A238 PolarHBondContact O-N 2.92Å; E235-A238 PolarHBondContact O-N 2.64Å; R236-A238 VanDerWaalsContact C-N 3.34Å; A238-S242 WeakPolarHBondContact O-CB 3.31Å; A238-S242 PolarHBondContact O-N 2.85Å; A238-S242 PolarHBondContact O-OG 3.19Å
239E88.8Confident87.9Confident76 Ų7645 Ų4536%0.35527%0.268SS..Hα-helixtrans-67.2-44.4176.2-174.4178.2-162.800111.8T227 E235 M241 S242T227-E239 HydrophobicContact CG2-CB 4.12Å; T227-E239 HydrophobicContact CG2-CG 4.12Å; E235-E239 WeakPolarHBondContact O-CB 3.05Å; E235-E239 PolarHBondContact O-N 2.98Å; E239-M241 VanDerWaalsContact C-N 3.3Å; E239-M241 PolarHBondContact O-N 2.98Å; E239-S242 PolarHBondContact O-N 3.44Å; E239-S242 PolarHBondContact O-OG 3.26Å
240A89.6Confident88.5Confident1 Ų143 Ų431%0.00826%0.261CS..Hα-helixtrans-62.1-38.9177.600000112.4S223 L224 T227 R236 I237 A244S223-A240 VanDerWaalsContact CB-O 3.24Å; S223-A240 WeakPolarHBondContact CB-O 3.46Å; S223-A240 PolarHBondContact OG-O 2.82Å; L224-A240 HydrophobicContact CB-CB 4.19Å; L224-A240 HydrophobicContact CD1-CB 4.32Å; T227-A240 HydrophobicContact CG2-CB 3.88Å; R236-A240 WeakPolarHBondContact O-CB 3.36Å; R236-A240 PolarHBondContact O-N 3.49Å; I237-A240 PolarHBondContact O-N 3.49Å; A240-A244 VanDerWaalsContact O-CB 3.25Å; A240-A244 WeakPolarHBondContact O-CB 3.24Å; A240-A244 PolarHBondContact O-N 3.03Å; A240-A244 VanDerWaalsContact O-N 3.14Å
241M92.4Very high89Confident23 Ų2338.4 Ų38.411%0.11323%0.232CC..Hα-helixtrans-84-25.6-178.9-67.7-58.3-67.900113M220 I237 E239 D243 A245 L289 L293 L296M220-M241 HydrophobicContact CE-CE 4.28Å; M220-M241 HydrophobicContact CE-SD 4.04Å; I237-M241 HydrophobicContact CG2-CG 4.18Å; I237-M241 VanDerWaalsContact O-CB 3.26Å; I237-M241 WeakPolarHBondContact O-CB 2.92Å; I237-M241 VanDerWaalsContact O-CG 3.25Å; I237-M241 WeakPolarHBondContact O-CG 3.06Å; I237-M241 PolarHBondContact O-N 3.17Å; E239-M241 VanDerWaalsContact C-N 3.3Å; E239-M241 PolarHBondContact O-N 2.98Å; M241-D243 PolarHBondContact O-N 3.43Å; M241-A245 HydrophobicContact CE-CB 4.08Å; M241-A245 WeakPolarHBondContact O-CB 3.47Å; M241-A245 PolarHBondContact O-N 3.16Å; M241-L289 HydrophobicContact CE-CD2 4.47Å; M241-L293 HydrophobicContact CE-CD1 3.82Å; M241-L293 HydrophobicContact CE-CD2 4.1Å; M241-L293 HydrophobicContact CE-CG 4.5Å; M241-L293 HydrophobicContact CG-CD1 3.88Å; M241-L293 HydrophobicContact SD-CD1 3.67Å; M241-L296 HydrophobicContact SD-CD2 4.32Å
242S88.3Confident89.4Confident63 Ų6337.8 Ų37.844%0.44123%0.226SC..Hα-helixtrans-59.3-33.3174.162.40000111.7A238 E239 V246A238-S242 WeakPolarHBondContact O-CB 3.31Å; A238-S242 PolarHBondContact O-N 2.85Å; A238-S242 PolarHBondContact O-OG 3.19Å; E239-S242 PolarHBondContact O-N 3.44Å; E239-S242 PolarHBondContact O-OG 3.26Å; S242-V246 WeakPolarHBondContact O-CG2 3.35Å
243D81.8Confident89.5Confident72 Ų7236.9 Ų36.939%0.38522%0.217SC..Hα-helixtrans-92.3-45-179.3-65.11.4000111.9M241 S247M241-D243 PolarHBondContact O-N 3.43Å; D243-S247 PolarHBondContact O-OG 2.81Å; D243-S247 VanDerWaalsContact O-OG 3.08Å
244A89.3Confident89.4Confident1 Ų135.5 Ų35.51%0.00821%0.209CC..Hα-helixtrans-74.3-39.4-177.100000113.2M220 S223 A240 V246 S247 I248M220-A244 HydrophobicContact CG-CB 4.48Å; S223-A244 WeakPolarHBondContact OG-CB 3.03Å; A240-A244 VanDerWaalsContact O-CB 3.25Å; A240-A244 WeakPolarHBondContact O-CB 3.24Å; A240-A244 PolarHBondContact O-N 3.03Å; A240-A244 VanDerWaalsContact O-N 3.14Å; A244-V246 VanDerWaalsContact C-N 3.34Å; A244-V246 PolarHBondContact O-N 3.39Å; A244-S247 WeakPolarHBondContact O-CB 3.21Å; A244-S247 PolarHBondContact O-N 2.97Å; A244-I248 HydrophobicContact CB-CD1 4.38Å; A244-I248 WeakPolarHBondContact O-CB 3.46Å; A244-I248 WeakPolarHBondContact O-CD1 3.42Å; A244-I248 WeakPolarHBondContact O-CG1 3.38Å; A244-I248 PolarHBondContact O-N 2.94Å
245A89.6Confident89.3Confident26 Ų2629.9 Ų29.922%0.21518%0.175CC..Hα-helixtrans-65.1-38.9-175.600000112.1M241 I248 T249M241-A245 HydrophobicContact CE-CB 4.08Å; M241-A245 WeakPolarHBondContact O-CB 3.47Å; M241-A245 PolarHBondContact O-N 3.16Å; A245-I248 PolarHBondContact O-N 2.77Å; A245-T249 VanDerWaalsContact O-CB 3.29Å; A245-T249 WeakPolarHBondContact O-CB 3.39Å; A245-T249 PolarHBondContact O-N 3.37Å; A245-T249 PolarHBondContact O-OG1 2.93Å
246V87.7Confident89.4Confident50 Ų5026.9 Ų26.930%0.30316%0.161SC..Hα-helixtrans-62.9-47.9176.4179.10000109.7S242 A244 I248 T249 I250 Y691S242-V246 WeakPolarHBondContact O-CG2 3.35Å; A244-V246 VanDerWaalsContact C-N 3.34Å; A244-V246 PolarHBondContact O-N 3.39Å; V246-I248 PolarHBondContact O-N 2.82Å; V246-T249 PolarHBondContact O-N 3.03Å; V246-I250 HydrophobicContact CG1-CD1 4.06Å; V246-I250 VanDerWaalsContact O-CG1 3.29Å; V246-I250 WeakPolarHBondContact O-CG1 3.5Å; V246-I250 PolarHBondContact O-N 2.85Å; V246-Y691 HydrophobicContact CB-CE1 4.49Å; V246-Y691 HydrophobicContact CG1-CE1 4.37Å; V246-Y691 HydrophobicContact CG1-CE2 3.77Å
247S88Confident89.4Confident4 Ų429.8 Ų29.83%0.02818%0.177CC..Hα-helixtrans-58.6-48177.5-65.50000112.5D243 A244 T249 I250 T251 H688D243-S247 PolarHBondContact O-OG 2.81Å; D243-S247 VanDerWaalsContact O-OG 3.08Å; A244-S247 WeakPolarHBondContact O-CB 3.21Å; A244-S247 PolarHBondContact O-N 2.97Å; S247-T249 VanDerWaalsContact C-N 3.32Å; S247-T249 PolarHBondContact O-N 3.25Å; S247-I250 WeakPolarHBondContact O-CB 3.26Å; S247-I250 PolarHBondContact O-N 3.17Å; S247-T251 PolarHBondContact O-N 2.85Å; S247-T251 VanDerWaalsContact O-N 3.16Å; S247-T251 PolarHBondContact O-OG1 3.48Å; S247-H688 WeakPolarHBondContact CB-ND1 3.28Å; S247-H688 PolarHBondContact O-CE1 3.31Å
248I90.1Very high89.1Confident2 Ų228.9 Ų28.91%0.0117%0.172CC..Hα-helixtrans-63.9-38.8177.7-66.4163.9000111.2N216 L219 M220 A244 A245 V246 T251 V252 F285N216-I248 HydrophobicContact CB-CD1 4.33Å; N216-I248 HydrophobicContact CB-CG1 4.11Å; N216-I248 HydrophobicContact CB-CG2 4.5Å; L219-I248 HydrophobicContact CD2-CG1 4.03Å; M220-I248 HydrophobicContact CG-CD1 3.49Å; M220-I248 VanDerWaalsContact CG-CD1 3.49Å; M220-I248 HydrophobicContact SD-CD1 3.89Å; A244-I248 HydrophobicContact CB-CD1 4.38Å; A244-I248 WeakPolarHBondContact O-CB 3.46Å; A244-I248 WeakPolarHBondContact O-CD1 3.42Å; A244-I248 WeakPolarHBondContact O-CG1 3.38Å; A244-I248 PolarHBondContact O-N 2.94Å; A245-I248 PolarHBondContact O-N 2.77Å; V246-I248 PolarHBondContact O-N 2.82Å; I248-T251 PolarHBondContact O-N 2.93Å; I248-V252 HydrophobicContact CG2-CG2 4.28Å; I248-V252 WeakPolarHBondContact O-CB 3.46Å; I248-V252 WeakPolarHBondContact O-CG2 3.48Å; I248-V252 PolarHBondContact O-N 3.35Å; I248-F285 HydrophobicContact CG2-CD2 4.13Å; I248-F285 HydrophobicContact CG2-CE2 4.03Å
249T90.3Very high89Confident55 Ų5526 Ų2634%0.33715%0.148SC..Hα-helixtrans-67.3-39.1178.7-56.90000111.3A245 V246 S247 L253A245-T249 VanDerWaalsContact O-CB 3.29Å; A245-T249 WeakPolarHBondContact O-CB 3.39Å; A245-T249 PolarHBondContact O-N 3.37Å; A245-T249 PolarHBondContact O-OG1 2.93Å; V246-T249 PolarHBondContact O-N 3.03Å; S247-T249 VanDerWaalsContact C-N 3.32Å; S247-T249 PolarHBondContact O-N 3.25Å; T249-L253 WeakPolarHBondContact O-CB 3.32Å; T249-L253 PolarHBondContact O-N 2.88Å
250I86.4Confident89.1Confident4 Ų423.8 Ų23.82%0.02115%0.146CC..Hα-helixtrans-55.7-54.7172.5-68.5161.1000109.3V246 S247 L253 T254 L635 A687 Y691V246-I250 HydrophobicContact CG1-CD1 4.06Å; V246-I250 VanDerWaalsContact O-CG1 3.29Å; V246-I250 WeakPolarHBondContact O-CG1 3.5Å; V246-I250 PolarHBondContact O-N 2.85Å; S247-I250 WeakPolarHBondContact O-CB 3.26Å; S247-I250 PolarHBondContact O-N 3.17Å; I250-L253 PolarHBondContact O-N 3.03Å; I250-T254 VanDerWaalsContact O-CB 3.3Å; I250-T254 WeakPolarHBondContact O-CB 3.37Å; I250-T254 PolarHBondContact O-N 3.18Å; I250-T254 PolarHBondContact O-OG1 2.86Å; I250-L635 HydrophobicContact CB-CD1 4.1Å; I250-L635 HydrophobicContact CD1-CB 4.05Å; I250-L635 HydrophobicContact CG1-CB 3.69Å; I250-L635 HydrophobicContact CG1-CD1 3.39Å; I250-L635 HydrophobicContact CG1-CG 4.07Å; I250-A687 HydrophobicContact CG2-CB 4.2Å; I250-Y691 HydrophobicContact CD1-CD2 4.33Å; I250-Y691 HydrophobicContact CD1-CG 4.46Å
251T89Confident89.1Confident0 Ų024.6 Ų24.60%015%0.15CC..Hα-helixtrans-56-53.7-179.9-70.70000112.6S247 I248 L253 T254 D255 D684 H688S247-T251 PolarHBondContact O-N 2.85Å; S247-T251 VanDerWaalsContact O-N 3.16Å; S247-T251 PolarHBondContact O-OG1 3.48Å; I248-T251 PolarHBondContact O-N 2.93Å; T251-L253 PolarHBondContact O-N 3.22Å; T251-T254 WeakPolarHBondContact O-CB 3.44Å; T251-T254 PolarHBondContact O-N 2.66Å; T251-D255 PolarHBondContact O-N 3.29Å; T251-D684 VanDerWaalsContact CA-OD1 3.29Å; T251-D684 WeakPolarHBondContact CA-OD1 3.46Å; T251-D684 WeakPolarHBondContact CB-OD1 3.26Å; T251-D684 VanDerWaalsContact CG2-CG 3.48Å; T251-D684 WeakPolarHBondContact CG2-OD1 3.32Å; T251-D684 WeakPolarHBondContact CG2-OD2 3.35Å; T251-D684 PolarHBondContact OG1-OD1 3.35Å; T251-H688 PolarHBondContact OG1-CE1 3.04Å; T251-H688 PolarHBondContact OG1-NE2 3.35Å
252V91.1Very high89Confident4 Ų423.5 Ų23.52%0.02415%0.145CC..Hα-helixtrans-63.2-41.3-178.2169.50000112I248 T254 D255 I256 F285I248-V252 HydrophobicContact CG2-CG2 4.28Å; I248-V252 WeakPolarHBondContact O-CB 3.46Å; I248-V252 WeakPolarHBondContact O-CG2 3.48Å; I248-V252 PolarHBondContact O-N 3.35Å; V252-T254 VanDerWaalsContact C-N 3.35Å; V252-D255 PolarHBondContact O-N 2.79Å; V252-I256 HydrophobicContact CG1-CD1 3.61Å; V252-I256 HydrophobicContact CG1-CG1 4.38Å; V252-I256 WeakPolarHBondContact O-CB 3.18Å; V252-I256 WeakPolarHBondContact O-CD1 3.14Å; V252-I256 VanDerWaalsContact O-CG1 3.25Å; V252-I256 WeakPolarHBondContact O-CG1 3.36Å; V252-I256 PolarHBondContact O-N 2.94Å; V252-F285 HydrophobicContact CB-CD2 4.15Å; V252-F285 HydrophobicContact CB-CG 4.31Å; V252-F285 HydrophobicContact CG1-CB 3.75Å; V252-F285 HydrophobicContact CG1-CD1 4.12Å; V252-F285 HydrophobicContact CG1-CD2 4.1Å; V252-F285 HydrophobicContact CG1-CG 3.75Å; V252-F285 HydrophobicContact CG2-CB 4.02Å; V252-F285 HydrophobicContact CG2-CD2 3.66Å; V252-F285 HydrophobicContact CG2-CE2 4.35Å; V252-F285 HydrophobicContact CG2-CG 4.05Å
253L89.7Confident89.2Confident64 Ų6425.6 Ų25.634%0.33514%0.144SC..Hα-helixtrans-66.9-40.3179.1-17761.6000111.2T249 I250 T251 L257 I631 L635T249-L253 WeakPolarHBondContact O-CB 3.32Å; T249-L253 PolarHBondContact O-N 2.88Å; I250-L253 PolarHBondContact O-N 3.03Å; T251-L253 PolarHBondContact O-N 3.22Å; L253-L257 HydrophobicContact CD1-CD1 3.87Å; L253-L257 HydrophobicContact CD1-CG 4.18Å; L253-L257 HydrophobicContact CG-CD1 3.96Å; L253-L257 WeakPolarHBondContact O-CB 3.36Å; L253-L257 WeakPolarHBondContact O-CG 3.06Å; L253-L257 PolarHBondContact O-N 2.93Å; L253-I631 HydrophobicContact CD2-CG2 4.35Å; L253-I631 HydrophobicContact CG-CD1 4.48Å; L253-L635 HydrophobicContact CD2-CD1 4.22Å
254T88.4Confident89.6Confident0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-59.9-47.3173.4-79.70000112I250 T251 V252 L257 S258 M628 V683I250-T254 VanDerWaalsContact O-CB 3.3Å; I250-T254 WeakPolarHBondContact O-CB 3.37Å; I250-T254 PolarHBondContact O-N 3.18Å; I250-T254 PolarHBondContact O-OG1 2.86Å; T251-T254 WeakPolarHBondContact O-CB 3.44Å; T251-T254 PolarHBondContact O-N 2.66Å; V252-T254 VanDerWaalsContact C-N 3.35Å; T254-L257 PolarHBondContact O-N 2.89Å; T254-S258 WeakPolarHBondContact O-CB 3.3Å; T254-S258 PolarHBondContact O-N 3.3Å; T254-S258 PolarHBondContact O-OG 2.94Å; T254-M628 HydrophobicContact CG2-CE 3.96Å; T254-M628 HydrophobicContact CG2-SD 3.32Å; T254-M628 WeakPolarHBondContact CG2-SD 3.47Å; T254-M628 VanDerWaalsContact OG1-CE 3.23Å; T254-M628 WeakPolarHBondContact OG1-CE 3.3Å; T254-M628 PolarHBondContact OG1-SD 2.83Å; T254-M628 VanDerWaalsContact OG1-SD 3.37Å; T254-V683 HydrophobicContact CG2-CB 3.84Å; T254-V683 HydrophobicContact CG2-CG1 3.91Å; T254-V683 HydrophobicContact CG2-CG2 3.93Å
255D89.8Confident89.6Confident0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-63-48.4178.2-66.7-42.7000111.4R213 T251 V252 L257 S258 F259 M281R213-D255 IonicContact CZ-OD2 2.62Å; R213-D255 IonicContact NH1-OD2 3.29Å; R213-D255 PolarHBondContact NH1-OD2 3.41Å; R213-D255 IonicContact NH2-OD2 3.88Å; R213-D255 PolarHBondContact NH2-OD2 2.93Å; T251-D255 PolarHBondContact O-N 3.29Å; V252-D255 PolarHBondContact O-N 2.79Å; D255-L257 VanDerWaalsContact C-N 3.27Å; D255-L257 PolarHBondContact O-N 3.24Å; D255-S258 WeakPolarHBondContact CA-OG 3.21Å; D255-S258 PolarHBondContact O-N 3.07Å; D255-S258 PolarHBondContact O-OG 2.82Å; D255-F259 HydrophobicContact CB-CD2 4.24Å; D255-F259 HydrophobicContact CB-CE2 4.25Å; D255-F259 WeakPolarHBondContact O-CB 3.1Å; D255-F259 WeakPolarHBondContact O-CD2 3.38Å; D255-F259 PolarHBondContact O-N 3.03Å; D255-M281 HydrophobicContact CB-CE 4.23Å; D255-M281 HydrophobicContact CB-CG 3.98Å; D255-M281 HydrophobicContact CB-SD 4.47Å
256I91.8Very high89.7Confident30 Ų3030.7 Ų30.715%0.15417%0.166CC..Hα-helixtrans-59.8-41.3-179.1-71.4166.9000110.9V252 G260 C278 M281 M282V252-I256 HydrophobicContact CG1-CD1 3.61Å; V252-I256 HydrophobicContact CG1-CG1 4.38Å; V252-I256 WeakPolarHBondContact O-CB 3.18Å; V252-I256 WeakPolarHBondContact O-CD1 3.14Å; V252-I256 VanDerWaalsContact O-CG1 3.25Å; V252-I256 WeakPolarHBondContact O-CG1 3.36Å; V252-I256 PolarHBondContact O-N 2.94Å; I256-G260 WeakPolarHBondContact O-CA 3.48Å; I256-G260 PolarHBondContact O-N 3.15Å; I256-C278 PolarHBondContact O-SG 3.49Å; I256-M281 HydrophobicContact CG1-CB 3.95Å; I256-M282 HydrophobicContact CD1-CE 4.14Å; I256-M282 HydrophobicContact CD1-CG 3.47Å; I256-M282 VanDerWaalsContact CD1-CG 3.47Å; I256-M282 HydrophobicContact CG1-CE 4.42Å; I256-M282 HydrophobicContact CG1-CG 4.08Å; I256-M282 HydrophobicContact CG2-CE 3.58Å
257L89.4Confident89.8Confident67 Ų6729.1 Ų29.135%0.35116%0.155SC..Hα-helixtrans-75.8-39.4-179.3-71.6175.7000112.3L253 T254 D255 G260 V261 I631L253-L257 HydrophobicContact CD1-CD1 3.87Å; L253-L257 HydrophobicContact CD1-CG 4.18Å; L253-L257 HydrophobicContact CG-CD1 3.96Å; L253-L257 WeakPolarHBondContact O-CB 3.36Å; L253-L257 WeakPolarHBondContact O-CG 3.06Å; L253-L257 PolarHBondContact O-N 2.93Å; T254-L257 PolarHBondContact O-N 2.89Å; D255-L257 VanDerWaalsContact C-N 3.27Å; D255-L257 PolarHBondContact O-N 3.24Å; L257-G260 PolarHBondContact O-N 3.1Å; L257-V261 VanDerWaalsContact O-CG2 3.28Å; L257-V261 WeakPolarHBondContact O-CG2 3.21Å; L257-V261 PolarHBondContact O-N 2.94Å; L257-I631 HydrophobicContact CB-CD1 4.17Å; L257-I631 HydrophobicContact CD1-CD1 3.45Å; L257-I631 VanDerWaalsContact CD1-CD1 3.45Å; L257-I631 HydrophobicContact CD1-CG1 3.81Å; L257-I631 HydrophobicContact CG-CD1 4.38Å
258S87.1Confident90Very high3 Ų333.1 Ų33.12%0.02118%0.181CC..Hα-helixtrans-62.3-51.7175540000111.4T254 D255 G260 V261 G262T254-S258 WeakPolarHBondContact O-CB 3.3Å; T254-S258 PolarHBondContact O-N 3.3Å; T254-S258 PolarHBondContact O-OG 2.94Å; D255-S258 WeakPolarHBondContact CA-OG 3.21Å; D255-S258 PolarHBondContact O-N 3.07Å; D255-S258 PolarHBondContact O-OG 2.82Å; S258-G260 VanDerWaalsContact C-N 3.26Å; S258-G260 PolarHBondContact O-N 2.82Å; S258-V261 PolarHBondContact O-N 2.7Å; S258-G262 PolarHBondContact O-N 2.74Å; S258-G262 VanDerWaalsContact O-N 3.07Å
259F90.4Very high90Very high2 Ų234.8 Ų34.81%0.00920%0.195CC..Hα-helixtrans-64.5-31.6173.7-68.6-62.5000112.4D255 V261 G262 Y263 F273 C274 T277 C278 M281 I676 M677D255-F259 HydrophobicContact CB-CD2 4.24Å; D255-F259 HydrophobicContact CB-CE2 4.25Å; D255-F259 WeakPolarHBondContact O-CB 3.1Å; D255-F259 WeakPolarHBondContact O-CD2 3.38Å; D255-F259 PolarHBondContact O-N 3.03Å; F259-V261 VanDerWaalsContact C-N 3.33Å; F259-V261 PolarHBondContact O-N 3.1Å; F259-G262 PolarHBondContact O-N 3.04Å; F259-Y263 PolarHBondContact O-N 3.19Å; F259-F273 HydrophobicContact CE1-CE1 4.06Å; F259-C274 VanDerWaalsContact O-CB 3.28Å; F259-C274 WeakPolarHBondContact O-CB 3.47Å; F259-T277 HydrophobicContact CD1-CG2 4.08Å; F259-T277 HydrophobicContact CD2-CG2 3.54Å; F259-T277 HydrophobicContact CE1-CG2 3.93Å; F259-T277 HydrophobicContact CE2-CG2 3.41Å; F259-T277 VanDerWaalsContact CE2-CG2 3.41Å; F259-T277 HydrophobicContact CG-CG2 3.92Å; F259-T277 HydrophobicContact CZ-CG2 3.62Å; F259-C278 WeakPolarHBondContact CB-SG 3.3Å; F259-M281 HydrophobicContact CE2-CE 3.99Å; F259-I676 HydrophobicContact CD1-CG2 3.65Å; F259-I676 HydrophobicContact CE1-CG2 3.85Å; F259-M677 HydrophobicContact CE1-CG 3.69Å; F259-M677 HydrophobicContact CZ-CB 4.34Å; F259-M677 HydrophobicContact CZ-CG 3.73Å
260G90.7Very high90.1Very high29 Ų2932.2 Ų32.230%0.29918%0.179SC..Hα-helixtrans-63.5-37.3174.700000113.1I256 L257 S258 Y263 C278I256-G260 WeakPolarHBondContact O-CA 3.48Å; I256-G260 PolarHBondContact O-N 3.15Å; L257-G260 PolarHBondContact O-N 3.1Å; S258-G260 VanDerWaalsContact C-N 3.26Å; S258-G260 PolarHBondContact O-N 2.82Å; G260-Y263 WeakPolarHBondContact O-CB 3.43Å; G260-Y263 PolarHBondContact O-N 3.03Å; G260-C278 PolarHBondContact N-SG 2.93Å
261V90.5Very high90.5Very high17 Ų1734.6 Ų34.610%0.10319%0.191CC..Hα-helixtrans-70.1-39.1173.5173.70000110.9L257 S258 F259 Y263 F264 E620 S623L257-V261 VanDerWaalsContact O-CG2 3.28Å; L257-V261 WeakPolarHBondContact O-CG2 3.21Å; L257-V261 PolarHBondContact O-N 2.94Å; S258-V261 PolarHBondContact O-N 2.7Å; F259-V261 VanDerWaalsContact C-N 3.33Å; F259-V261 PolarHBondContact O-N 3.1Å; V261-Y263 PolarHBondContact O-N 3.04Å; V261-F264 WeakPolarHBondContact O-CD2 3.47Å; V261-F264 PolarHBondContact O-N 2.93Å; V261-E620 WeakPolarHBondContact CG1-OE2 3.28Å; V261-S623 WeakPolarHBondContact CG1-OG 3.15Å
262G89.8Confident90.8Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-59.2-16.4175.100000115.4S258 F259 F264 T265 E620S258-G262 PolarHBondContact O-N 2.74Å; S258-G262 VanDerWaalsContact O-N 3.07Å; F259-G262 PolarHBondContact O-N 3.04Å; G262-F264 VanDerWaalsContact C-N 3.29Å; G262-F264 PolarHBondContact O-N 3.25Å; G262-T265 VanDerWaalsContact O-CG2 3.3Å; G262-T265 WeakPolarHBondContact O-CG2 3.4Å; G262-T265 PolarHBondContact O-N 3.29Å; G262-T265 PolarHBondContact O-OG1 3.04Å; G262-E620 VanDerWaalsContact CA-OE2 3.27Å; G262-E620 WeakPolarHBondContact CA-OE2 3.43Å; G262-E620 PolarHBondContact N-OE2 3.49Å
263Y91.5Very high90.9Very high108 Ų10836 Ų3642%0.42420%0.197SC..THydrogen-bonded Turntrans-67.6-25.1171.3174.6-101.2000113.3F259 G260 V261 T265 Q271 I275F259-Y263 PolarHBondContact O-N 3.19Å; G260-Y263 WeakPolarHBondContact O-CB 3.43Å; G260-Y263 PolarHBondContact O-N 3.03Å; V261-Y263 PolarHBondContact O-N 3.04Å; Y263-T265 PolarHBondContact O-N 3.36Å; Y263-Q271 HydrophobicContact CD2-CB 3.98Å; Y263-Q271 HydrophobicContact CD2-CG 4.28Å; Y263-Q271 HydrophobicContact CE2-CB 4.23Å; Y263-Q271 WeakPolarHBondContact O-CG 3.16Å; Y263-I275 HydrophobicContact CD2-CD1 3.74Å; Y263-I275 HydrophobicContact CD2-CG1 3.87Å; Y263-I275 HydrophobicContact CE2-CD1 3.63Å; Y263-I275 HydrophobicContact CE2-CG1 4.26Å
264F90.9Very high91.1Very high140 Ų14033 Ų3361%0.61418%0.182SC*.THydrogen-bonded Turntrans-79.13.8179.9-65-72.1000113.9V261 G262V261-F264 WeakPolarHBondContact O-CD2 3.47Å; V261-F264 PolarHBondContact O-N 2.93Å; G262-F264 VanDerWaalsContact C-N 3.29Å; G262-F264 PolarHBondContact O-N 3.25Å
265T90.7Very high91.5Very high2 Ų235.3 Ų35.31%0.01219%0.194CC..SBendtrans-70152.9174.959.10000111.5G262 Y263 F267 V270 Q271 M672G262-T265 VanDerWaalsContact O-CG2 3.3Å; G262-T265 WeakPolarHBondContact O-CG2 3.4Å; G262-T265 PolarHBondContact O-N 3.29Å; G262-T265 PolarHBondContact O-OG1 3.04Å; Y263-T265 PolarHBondContact O-N 3.36Å; T265-F267 PolarHBondContact O-N 3.1Å; T265-V270 HydrophobicContact CG2-CG1 4.4Å; T265-Q271 PolarHBondContact O-NE2 2.94Å; T265-M672 HydrophobicContact CG2-CE 4.14Å; T265-M672 HydrophobicContact CG2-SD 4.27Å
266S90.2Very high91.8Very high64 Ų6435.5 Ų35.545%0.44819%0.194SC..SBendtrans-72.5-5.1179.5-49.80000114.7P268 N616S266-P268 WeakPolarHBondContact O-CD 3.35Å; S266-N616 WeakPolarHBondContact CB-ND2 3.49Å; S266-N616 PolarHBondContact N-OD1 2.76Å; S266-N616 PolarHBondContact OG-ND2 2.82Å
267F90.2Very high91.9Very high17 Ų1734.2 Ų34.28%0.07519%0.188CC..  trans-101.8113-169.6-63-71.2000112.2T265 A269 V270 Q271 Q609 Q612 I613 N616 M672T265-F267 PolarHBondContact O-N 3.1Å; F267-A269 VanDerWaalsContact C-N 3.29Å; F267-A269 PolarHBondContact O-N 3.2Å; F267-V270 HydrophobicContact CB-CB 4.11Å; F267-V270 HydrophobicContact CB-CG2 3.88Å; F267-V270 PolarHBondContact O-N 3.24Å; F267-Q271 WeakPolarHBondContact O-CG 3.37Å; F267-Q271 PolarHBondContact O-N 3.22Å; F267-Q609 HydrophobicContact CD1-CG 4.09Å; F267-Q609 HydrophobicContact CE1-CB 4.43Å; F267-Q609 HydrophobicContact CE1-CG 3.39Å; F267-Q609 HydrophobicContact CZ-CG 4.3Å; F267-Q612 HydrophobicContact CE1-CB 4.33Å; F267-Q612 HydrophobicContact CE2-CB 4.42Å; F267-Q612 HydrophobicContact CZ-CB 3.74Å; F267-I613 HydrophobicContact CE2-CG1 4.4Å; F267-I613 HydrophobicContact CZ-CG1 3.78Å; F267-N616 HydrophobicContact CE2-CB 4.25Å; F267-M672 HydrophobicContact CB-CE 4.32Å; F267-M672 HydrophobicContact CD2-CE 3.37Å; F267-M672 HydrophobicContact CD2-SD 4.05Å; F267-M672 HydrophobicContact CE2-CE 4.04Å; F267-M672 HydrophobicContact CE2-SD 4.16Å; F267-M672 HydrophobicContact CG-CE 4.19Å
268P91.7Very high92.2Very high87 Ų8731.8 Ų31.857%0.56518%0.176SC*.Hα-helixtrans-57.5-37.2-177.1-27.635.6000114.3S266 V270 Q271 L272S266-P268 WeakPolarHBondContact O-CD 3.35Å; P268-V270 VanDerWaalsContact C-N 3.29Å; P268-V270 PolarHBondContact O-N 3.17Å; P268-Q271 PolarHBondContact O-N 3.29Å; P268-L272 VanDerWaalsContact O-CG 3.3Å; P268-L272 WeakPolarHBondContact O-CG 3.14Å; P268-L272 PolarHBondContact O-N 2.86Å
269A90.3Very high92.6Very high37 Ų3733.2 Ų33.231%0.30619%0.185SC..Hα-helixtrans-62.3-37.1177.200000112.3F267 F273F267-A269 VanDerWaalsContact C-N 3.29Å; F267-A269 PolarHBondContact O-N 3.2Å; A269-F273 WeakPolarHBondContact O-CB 3.47Å; A269-F273 PolarHBondContact O-N 3.09Å
270V92.2Very high92.9Very high1 Ų133.1 Ų33.11%0.00619%0.185CC..Hα-helixtrans-74.7-42.4177.9177.10000110.3T265 F267 P268 L272 F273 C274 M672 I673 I676T265-V270 HydrophobicContact CG2-CG1 4.4Å; F267-V270 HydrophobicContact CB-CB 4.11Å; F267-V270 HydrophobicContact CB-CG2 3.88Å; F267-V270 PolarHBondContact O-N 3.24Å; P268-V270 VanDerWaalsContact C-N 3.29Å; P268-V270 PolarHBondContact O-N 3.17Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 3.33Å; V270-F273 PolarHBondContact O-N 2.96Å; V270-C274 WeakPolarHBondContact O-CB 3.31Å; V270-C274 PolarHBondContact O-N 3.13Å; V270-C274 PolarHBondContact O-SG 3.33Å; V270-M672 HydrophobicContact CB-CE 3.71Å; V270-M672 HydrophobicContact CG1-CE 3.62Å; V270-M672 HydrophobicContact CG2-CE 3.18Å; V270-I673 HydrophobicContact CB-CG1 4.26Å; V270-I673 HydrophobicContact CG1-CG1 4.15Å; V270-I673 HydrophobicContact CG2-CD1 3.97Å; V270-I673 HydrophobicContact CG2-CG1 3.64Å; V270-I676 HydrophobicContact CG1-CD1 3.62Å
271Q94.7Very high93.1Very high55 Ų5531.8 Ų31.826%0.25717%0.171SC..Hα-helixtrans-55.1-46.6174-65.1-179.8-10.300111.8Y263 T265 F267 P268 C274 I275Y263-Q271 HydrophobicContact CD2-CB 3.98Å; Y263-Q271 HydrophobicContact CD2-CG 4.28Å; Y263-Q271 HydrophobicContact CE2-CB 4.23Å; Y263-Q271 WeakPolarHBondContact O-CG 3.16Å; T265-Q271 PolarHBondContact O-NE2 2.94Å; F267-Q271 WeakPolarHBondContact O-CG 3.37Å; F267-Q271 PolarHBondContact O-N 3.22Å; P268-Q271 PolarHBondContact O-N 3.29Å; Q271-C274 PolarHBondContact O-N 2.9Å; Q271-I275 WeakPolarHBondContact O-CG1 3.38Å; Q271-I275 PolarHBondContact O-N 3.33Å
272L95.1Very high93.3Very high30 Ų3035.2 Ų35.216%0.15719%0.187CC..Hα-helixtrans-63.5-47.5176.8-69.4171.9000111.4V196 P197 I202 P268 V270 C274 I275 Y276V196-L272 HydrophobicContact CG1-CD2 3.63Å; P197-L272 HydrophobicContact CG-CD1 4.02Å; P197-L272 HydrophobicContact CG-CD2 3.86Å; I202-L272 HydrophobicContact CD1-CB 3.94Å; P268-L272 VanDerWaalsContact O-CG 3.3Å; P268-L272 WeakPolarHBondContact O-CG 3.14Å; P268-L272 PolarHBondContact O-N 2.86Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 3.33Å; L272-C274 VanDerWaalsContact C-N 3.29Å; L272-C274 PolarHBondContact O-N 3.3Å; L272-I275 PolarHBondContact O-N 3.36Å; L272-Y276 VanDerWaalsContact O-CD2 3.3Å; L272-Y276 WeakPolarHBondContact O-CD2 3.33Å; L272-Y276 PolarHBondContact O-N 2.94Å
273F94.4Very high93.6Very high2 Ų236 Ų361%0.00919%0.191CC..Hα-helixtrans-55.2-45.5175.9-176.1-84000112.1M205 L208 F259 A269 V270 Y276 T277 I673 M677M205-F273 HydrophobicContact CB-CD2 4.43Å; M205-F273 HydrophobicContact CB-CE2 3.83Å; M205-F273 HydrophobicContact CB-CZ 4.29Å; L208-F273 HydrophobicContact CD1-CZ 4.31Å; F259-F273 HydrophobicContact CE1-CE1 4.06Å; A269-F273 WeakPolarHBondContact O-CB 3.47Å; A269-F273 PolarHBondContact O-N 3.09Å; V270-F273 PolarHBondContact O-N 2.96Å; F273-Y276 PolarHBondContact O-N 3.41Å; F273-T277 WeakPolarHBondContact CE1-OG1 3.37Å; F273-T277 WeakPolarHBondContact O-CB 3.22Å; F273-T277 PolarHBondContact O-N 3.38Å; F273-T277 PolarHBondContact O-OG1 3.19Å; F273-I673 HydrophobicContact CB-CD1 4.22Å; F273-I673 HydrophobicContact CD1-CG2 3.41Å; F273-I673 VanDerWaalsContact CD1-CG2 3.41Å; F273-I673 HydrophobicContact CD2-CD1 4.46Å; F273-I673 HydrophobicContact CD2-CG2 4.01Å; F273-I673 HydrophobicContact CE1-CG2 3.31Å; F273-I673 HydrophobicContact CE2-CG2 3.9Å; F273-I673 HydrophobicContact CG-CD1 4.24Å; F273-I673 HydrophobicContact CG-CG2 3.78Å; F273-I673 HydrophobicContact CZ-CG2 3.56Å; F273-M677 HydrophobicContact CE1-CG 4.33Å; F273-M677 HydrophobicContact CE1-SD 4.24Å; F273-M677 HydrophobicContact CZ-SD 3.99Å
274C94.4Very high93.8Very high1 Ų130.8 Ų30.81%0.00717%0.171CC..Hα-helixtrans-62.7-45.2178.3-73.40000112.4F259 V270 Q271 L272 T277 C278F259-C274 VanDerWaalsContact O-CB 3.28Å; F259-C274 WeakPolarHBondContact O-CB 3.47Å; V270-C274 WeakPolarHBondContact O-CB 3.31Å; V270-C274 PolarHBondContact O-N 3.13Å; V270-C274 PolarHBondContact O-SG 3.33Å; Q271-C274 PolarHBondContact O-N 2.9Å; L272-C274 VanDerWaalsContact C-N 3.29Å; L272-C274 PolarHBondContact O-N 3.3Å; C274-T277 PolarHBondContact O-N 3.28Å; C274-C278 WeakPolarHBondContact O-CB 3.42Å; C274-C278 PolarHBondContact O-N 3.35Å; C274-C278 PolarHBondContact O-SG 3.34Å; C274-C278 VanDerWaalsContact O-SG 3.32Å
275I95.4Very high94Very high50 Ų5026.4 Ų26.426%0.25615%0.152SC..Hα-helixtrans-60.6-50176.1-70.5164.7000111L191 Y263 Q271 L272 T277 C278 V279L191-I275 HydrophobicContact CD1-CG2 4.16Å; L191-I275 HydrophobicContact CD2-CG2 3.71Å; Y263-I275 HydrophobicContact CD2-CD1 3.74Å; Y263-I275 HydrophobicContact CD2-CG1 3.87Å; Y263-I275 HydrophobicContact CE2-CD1 3.63Å; Y263-I275 HydrophobicContact CE2-CG1 4.26Å; Q271-I275 WeakPolarHBondContact O-CG1 3.38Å; Q271-I275 PolarHBondContact O-N 3.33Å; L272-I275 PolarHBondContact O-N 3.36Å; I275-T277 VanDerWaalsContact C-N 3.31Å; I275-T277 PolarHBondContact O-N 2.99Å; I275-C278 PolarHBondContact O-N 3.28Å; I275-V279 WeakPolarHBondContact O-CG2 3.34Å; I275-V279 PolarHBondContact O-N 3.16Å; I275-V279 VanDerWaalsContact O-N 3.09Å
276Y96.4Very high94.2Very high3 Ų331 Ų311%0.01218%0.175CC..Hα-helixtrans-60.7-42.6180-88.1-96.7000111.5I188 L191 V196 P197 F198 I202 M205 L272 F273 A280I188-Y276 HydrophobicContact CG1-CD1 4.28Å; I188-Y276 HydrophobicContact CG1-CE1 4.38Å; L191-Y276 HydrophobicContact CB-CD1 4.4Å; L191-Y276 HydrophobicContact CB-CE1 3.86Å; L191-Y276 HydrophobicContact CB-CE2 4.44Å; L191-Y276 HydrophobicContact CD1-CD1 3.48Å; L191-Y276 VanDerWaalsContact CD1-CD1 3.48Å; L191-Y276 HydrophobicContact CD1-CD2 3.86Å; L191-Y276 HydrophobicContact CD1-CE1 3.81Å; L191-Y276 HydrophobicContact CD1-CE2 4.19Å; L191-Y276 HydrophobicContact CD1-CG 3.52Å; V196-Y276 HydrophobicContact CB-CE2 4.38Å; V196-Y276 HydrophobicContact CG1-CD2 4.46Å; V196-Y276 HydrophobicContact CG1-CE2 3.7Å; V196-Y276 PolarHBondContact O-OH 3.48Å; P197-Y276 WeakPolarHBondContact O-CE2 3.22Å; F198-Y276 AromaticContact CD2-CE1 4Å; F198-Y276 HydrophobicContact CD2-CE1 4Å; I202-Y276 HydrophobicContact CD1-CD2 3.63Å; I202-Y276 HydrophobicContact CD1-CE2 3.71Å; I202-Y276 HydrophobicContact CD1-CG 4.18Å; I202-Y276 HydrophobicContact CG2-CD1 3.97Å; I202-Y276 HydrophobicContact CG2-CD2 4.36Å; I202-Y276 HydrophobicContact CG2-CG 3.83Å; M205-Y276 VanDerWaalsContact SD-C 3.57Å; L272-Y276 VanDerWaalsContact O-CD2 3.3Å; L272-Y276 WeakPolarHBondContact O-CD2 3.33Å; L272-Y276 PolarHBondContact O-N 2.94Å; F273-Y276 PolarHBondContact O-N 3.41Å; Y276-A280 VanDerWaalsContact O-CB 3.24Å; Y276-A280 WeakPolarHBondContact O-CB 3.45Å; Y276-A280 PolarHBondContact O-N 3.47Å
277T94.8Very high94.5Very high3 Ų330.9 Ų30.92%0.01817%0.165CC..Hα-helixtrans-67.7-43.9178.5-51.20000111.5M205 V209 F259 F273 C274 I275 V279 A280 M281M205-T277 WeakPolarHBondContact CG-OG1 3.49Å; V209-T277 HydrophobicContact CG2-CG2 4.1Å; F259-T277 HydrophobicContact CD1-CG2 4.08Å; F259-T277 HydrophobicContact CD2-CG2 3.54Å; F259-T277 HydrophobicContact CE1-CG2 3.93Å; F259-T277 HydrophobicContact CE2-CG2 3.41Å; F259-T277 VanDerWaalsContact CE2-CG2 3.41Å; F259-T277 HydrophobicContact CG-CG2 3.92Å; F259-T277 HydrophobicContact CZ-CG2 3.62Å; F273-T277 WeakPolarHBondContact CE1-OG1 3.37Å; F273-T277 WeakPolarHBondContact O-CB 3.22Å; F273-T277 PolarHBondContact O-N 3.38Å; F273-T277 PolarHBondContact O-OG1 3.19Å; C274-T277 PolarHBondContact O-N 3.28Å; I275-T277 VanDerWaalsContact C-N 3.31Å; I275-T277 PolarHBondContact O-N 2.99Å; T277-V279 PolarHBondContact O-N 3.01Å; T277-A280 CarbonylContact O-C 3.51Å; T277-A280 WeakPolarHBondContact O-CB 3.4Å; T277-A280 PolarHBondContact O-N 2.88Å; T277-M281 HydrophobicContact CG2-CE 4.07Å; T277-M281 HydrophobicContact CG2-CG 4.3Å; T277-M281 VanDerWaalsContact O-CG 3.28Å; T277-M281 WeakPolarHBondContact O-CG 3.35Å; T277-M281 PolarHBondContact O-N 2.8Å
278C94.9Very high94.6Very high16 Ų1630.6 Ų30.611%0.10816%0.164CC..Hα-helixtrans-54.5-50.1175.1-82.10000112.4I256 F259 G260 C274 I275 A280 M281 M282I256-C278 PolarHBondContact O-SG 3.49Å; F259-C278 WeakPolarHBondContact CB-SG 3.3Å; G260-C278 PolarHBondContact N-SG 2.93Å; C274-C278 WeakPolarHBondContact O-CB 3.42Å; C274-C278 PolarHBondContact O-N 3.35Å; C274-C278 PolarHBondContact O-SG 3.34Å; C274-C278 VanDerWaalsContact O-SG 3.32Å; I275-C278 PolarHBondContact O-N 3.28Å; C278-A280 VanDerWaalsContact C-N 3.34Å; C278-M281 PolarHBondContact O-N 3.47Å; C278-M282 WeakPolarHBondContact O-CG 3.45Å; C278-M282 PolarHBondContact O-N 3.03Å
279V96.1Very high94.6Very high34 Ų3429.6 Ų29.621%0.20615%0.154CC..Hα-helixtrans-68.4-36.4179.5-179.70000110.9A187 L191 I275 T277 M282 T283A187-V279 HydrophobicContact CB-CB 4.24Å; A187-V279 HydrophobicContact CB-CG1 3.8Å; L191-V279 HydrophobicContact CD1-CB 4.02Å; L191-V279 HydrophobicContact CD1-CG1 4.46Å; L191-V279 HydrophobicContact CD1-CG2 4.11Å; L191-V279 HydrophobicContact CD2-CG2 4.08Å; L191-V279 HydrophobicContact CG-CB 4.41Å; L191-V279 HydrophobicContact CG-CG1 4.44Å; L191-V279 HydrophobicContact CG-CG2 4.26Å; I275-V279 WeakPolarHBondContact O-CG2 3.34Å; I275-V279 PolarHBondContact O-N 3.16Å; I275-V279 VanDerWaalsContact O-N 3.09Å; T277-V279 PolarHBondContact O-N 3.01Å; V279-M282 PolarHBondContact O-N 2.94Å; V279-T283 HydrophobicContact CG1-CG2 4.24Å; V279-T283 WeakPolarHBondContact O-CB 3.49Å; V279-T283 WeakPolarHBondContact O-CG2 3.49Å; V279-T283 PolarHBondContact O-N 2.71Å; V279-T283 PolarHBondContact O-OG1 3.39Å
280A96.6Very high94.8Very high0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-62.1-42173.100000111.8V184 A187 M205 V209 Y276 T277 C278 T283 T284V184-A280 HydrophobicContact CG2-CB 4.49Å; A187-A280 VanDerWaalsContact CB-CA 3.48Å; A187-A280 HydrophobicContact CB-CB 3.89Å; M205-A280 HydrophobicContact CE-CB 3.99Å; M205-A280 HydrophobicContact SD-CB 4.05Å; V209-A280 HydrophobicContact CG1-CB 4.19Å; V209-A280 HydrophobicContact CG2-CB 4.28Å; Y276-A280 VanDerWaalsContact O-CB 3.24Å; Y276-A280 WeakPolarHBondContact O-CB 3.45Å; Y276-A280 PolarHBondContact O-N 3.47Å; T277-A280 CarbonylContact O-C 3.51Å; T277-A280 WeakPolarHBondContact O-CB 3.4Å; T277-A280 PolarHBondContact O-N 2.88Å; C278-A280 VanDerWaalsContact C-N 3.34Å; A280-T283 WeakPolarHBondContact CA-OG1 3.49Å; A280-T283 PolarHBondContact O-OG1 3.48Å; A280-T283 VanDerWaalsContact O-OG1 3.07Å; A280-T284 VanDerWaalsContact O-CB 3.3Å; A280-T284 WeakPolarHBondContact O-CB 3Å; A280-T284 WeakPolarHBondContact O-CG2 3.48Å; A280-T284 PolarHBondContact O-N 3.32Å; A280-T284 PolarHBondContact O-OG1 2.93Å
281M94.1Very high94.9Very high0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-65.1-42.3175.7-66.4-51.6-169.700111.9V209 R213 D255 I256 F259 T277 C278 T284 F285 F681V209-M281 HydrophobicContact CG1-SD 4.13Å; V209-M281 HydrophobicContact CG2-CE 4.14Å; V209-M281 HydrophobicContact CG2-SD 4.49Å; R213-M281 HydrophobicContact CG-SD 4.44Å; R213-M281 PolarHBondContact NH1-SD 3.2Å; D255-M281 HydrophobicContact CB-CE 4.23Å; D255-M281 HydrophobicContact CB-CG 3.98Å; D255-M281 HydrophobicContact CB-SD 4.47Å; I256-M281 HydrophobicContact CG1-CB 3.95Å; F259-M281 HydrophobicContact CE2-CE 3.99Å; T277-M281 HydrophobicContact CG2-CE 4.07Å; T277-M281 HydrophobicContact CG2-CG 4.3Å; T277-M281 VanDerWaalsContact O-CG 3.28Å; T277-M281 WeakPolarHBondContact O-CG 3.35Å; T277-M281 PolarHBondContact O-N 2.8Å; C278-M281 PolarHBondContact O-N 3.47Å; M281-T284 WeakPolarHBondContact CA-OG1 3.43Å; M281-T284 PolarHBondContact O-OG1 3.19Å; M281-T284 VanDerWaalsContact O-OG1 3.05Å; M281-F285 VanDerWaalsContact O-CB 3.29Å; M281-F285 WeakPolarHBondContact O-CB 3.48Å; M281-F285 PolarHBondContact O-N 2.96Å; M281-F681 HydrophobicContact CE-CE1 4.09Å
282M95Very high94.9Very high90 Ų9032.9 Ų32.944%0.44317%0.168SC..Hα-helixtrans-63-48.1176.1-71.8-179.8-178.200112.5I256 C278 V279 F285 I286I256-M282 HydrophobicContact CD1-CE 4.14Å; I256-M282 HydrophobicContact CD1-CG 3.47Å; I256-M282 VanDerWaalsContact CD1-CG 3.47Å; I256-M282 HydrophobicContact CG1-CE 4.42Å; I256-M282 HydrophobicContact CG1-CG 4.08Å; I256-M282 HydrophobicContact CG2-CE 3.58Å; C278-M282 WeakPolarHBondContact O-CG 3.45Å; C278-M282 PolarHBondContact O-N 3.03Å; V279-M282 PolarHBondContact O-N 2.94Å; M282-F285 PolarHBondContact O-N 3.46Å; M282-I286 WeakPolarHBondContact O-CG1 3.29Å; M282-I286 PolarHBondContact O-N 2.78Å; M282-I286 VanDerWaalsContact O-N 3.12Å
283T96.7Very high94.9Very high15 Ų1533.3 Ų33.39%0.09217%0.17CC..Hα-helixtrans-68.5-41.5-178.550.60000112G183 A187 L190 V279 A280 F285 I286 Y287G183-T283 PolarHBondContact O-OG1 2.95Å; A187-T283 HydrophobicContact CB-CG2 4.43Å; L190-T283 HydrophobicContact CD1-CG2 4.06Å; V279-T283 HydrophobicContact CG1-CG2 4.24Å; V279-T283 WeakPolarHBondContact O-CB 3.49Å; V279-T283 WeakPolarHBondContact O-CG2 3.49Å; V279-T283 PolarHBondContact O-N 2.71Å; V279-T283 PolarHBondContact O-OG1 3.39Å; A280-T283 WeakPolarHBondContact CA-OG1 3.49Å; A280-T283 PolarHBondContact O-OG1 3.48Å; A280-T283 VanDerWaalsContact O-OG1 3.07Å; T283-F285 VanDerWaalsContact C-N 3.33Å; T283-F285 PolarHBondContact O-N 3.41Å; T283-I286 PolarHBondContact O-N 3.05Å; T283-Y287 WeakPolarHBondContact O-CD2 3.36Å; T283-Y287 PolarHBondContact O-N 3.31Å; T283-Y287 VanDerWaalsContact O-N 3.1Å
284T95.3Very high94.9Very high0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-63.4-38.4174.654.10000112A180 V184 V209 R213 A280 M281 I286 Y287 Q288A180-T284 WeakPolarHBondContact O-CG2 3.32Å; V184-T284 HydrophobicContact CG2-CG2 4.42Å; V209-T284 HydrophobicContact CG1-CG2 4.02Å; R213-T284 HydrophobicContact CG-CG2 4.35Å; A280-T284 VanDerWaalsContact O-CB 3.3Å; A280-T284 WeakPolarHBondContact O-CB 3Å; A280-T284 WeakPolarHBondContact O-CG2 3.48Å; A280-T284 PolarHBondContact O-N 3.32Å; A280-T284 PolarHBondContact O-OG1 2.93Å; M281-T284 WeakPolarHBondContact CA-OG1 3.43Å; M281-T284 PolarHBondContact O-OG1 3.19Å; M281-T284 VanDerWaalsContact O-OG1 3.05Å; T284-I286 PolarHBondContact O-N 3.07Å; T284-Y287 PolarHBondContact O-N 3.09Å; T284-Q288 WeakPolarHBondContact O-CG 3.49Å; T284-Q288 PolarHBondContact O-N 3.34Å
285F95Very high94.9Very high47 Ų4737.5 Ų37.521%0.20620%0.2CC..Hα-helixtrans-60.9-42.3173.8177.6-122.3000112.7I248 V252 M281 M282 T283 Y287 Q288 L289I248-F285 HydrophobicContact CG2-CD2 4.13Å; I248-F285 HydrophobicContact CG2-CE2 4.03Å; V252-F285 HydrophobicContact CB-CD2 4.15Å; V252-F285 HydrophobicContact CB-CG 4.31Å; V252-F285 HydrophobicContact CG1-CB 3.75Å; V252-F285 HydrophobicContact CG1-CD1 4.12Å; V252-F285 HydrophobicContact CG1-CD2 4.1Å; V252-F285 HydrophobicContact CG1-CG 3.75Å; V252-F285 HydrophobicContact CG2-CB 4.02Å; V252-F285 HydrophobicContact CG2-CD2 3.66Å; V252-F285 HydrophobicContact CG2-CE2 4.35Å; V252-F285 HydrophobicContact CG2-CG 4.05Å; M281-F285 VanDerWaalsContact O-CB 3.29Å; M281-F285 WeakPolarHBondContact O-CB 3.48Å; M281-F285 PolarHBondContact O-N 2.96Å; M282-F285 PolarHBondContact O-N 3.46Å; T283-F285 VanDerWaalsContact C-N 3.33Å; T283-F285 PolarHBondContact O-N 3.41Å; F285-Y287 VanDerWaalsContact C-N 3.33Å; F285-Y287 PolarHBondContact O-N 2.71Å; F285-Q288 PolarHBondContact O-N 3.08Å; F285-L289 HydrophobicContact CD1-CD1 4.45Å; F285-L289 HydrophobicContact CD2-CD1 4.35Å; F285-L289 HydrophobicContact CD2-CG 4.3Å; F285-L289 HydrophobicContact CE1-CD1 3.8Å; F285-L289 HydrophobicContact CE2-CD1 3.7Å; F285-L289 HydrophobicContact CE2-CD2 4.37Å; F285-L289 HydrophobicContact CE2-CG 3.91Å; F285-L289 HydrophobicContact CZ-CD1 3.4Å; F285-L289 VanDerWaalsContact CZ-CD1 3.4Å; F285-L289 HydrophobicContact CZ-CG 4.15Å; F285-L289 PolarHBondContact O-N 3.41Å
286I95.6Very high94.7Very high98 Ų9835.1 Ų35.150%0.50319%0.188SC..Hα-helixtrans-59-45.9174.3-67166.1000110.3M282 T283 T284 Q288 L289 T290M282-I286 WeakPolarHBondContact O-CG1 3.29Å; M282-I286 PolarHBondContact O-N 2.78Å; M282-I286 VanDerWaalsContact O-N 3.12Å; T283-I286 PolarHBondContact O-N 3.05Å; T284-I286 PolarHBondContact O-N 3.07Å; I286-Q288 VanDerWaalsContact C-N 3.34Å; I286-Q288 PolarHBondContact O-N 3.48Å; I286-L289 PolarHBondContact O-N 3.33Å; I286-T290 HydrophobicContact CG2-CG2 4.38Å; I286-T290 WeakPolarHBondContact O-CB 3.28Å; I286-T290 WeakPolarHBondContact O-CG2 3.27Å; I286-T290 PolarHBondContact O-N 3.09Å; I286-T290 PolarHBondContact O-OG1 3.47Å
287Y95.7Very high94.6Very high63 Ų6336.8 Ų36.825%0.24720%0.198CC..Hα-helixtrans-65.9-32.3176.7-78.3-67.3000113.3M182 S186 T283 T284 F285 F291 L292M182-Y287 HydrophobicContact CB-CD2 4.42Å; M182-Y287 HydrophobicContact CB-CE1 4.39Å; M182-Y287 HydrophobicContact CB-CE2 4.17Å; M182-Y287 HydrophobicContact CE-CD1 4.22Å; M182-Y287 HydrophobicContact CE-CE1 3.6Å; S186-Y287 PolarHBondContact OG-OH 3.4Å; T283-Y287 WeakPolarHBondContact O-CD2 3.36Å; T283-Y287 PolarHBondContact O-N 3.31Å; T283-Y287 VanDerWaalsContact O-N 3.1Å; T284-Y287 PolarHBondContact O-N 3.09Å; F285-Y287 VanDerWaalsContact C-N 3.33Å; F285-Y287 PolarHBondContact O-N 2.71Å; Y287-F291 HydrophobicContact CD1-CB 4.08Å; Y287-F291 WeakPolarHBondContact O-CA 3.28Å; Y287-F291 VanDerWaalsContact O-CB 3.31Å; Y287-F291 WeakPolarHBondContact O-CB 3.38Å; Y287-F291 PolarHBondContact O-N 2.71Å; Y287-L292 PolarHBondContact O-N 3.26Å
288Q93Very high94.4Very high11 Ų1141 Ų415%0.05122%0.221CC..Iπ-helixtrans-65-46.8174.7-74.3176-3.400111.6R213 N216 T284 F285 I286 L292 L293R213-Q288 PolarHBondContact O-NE2 2.87Å; N216-Q288 PolarHBondContact ND2-NE2 3.12Å; N216-Q288 VanDerWaalsContact ND2-NE2 3.13Å; N216-Q288 PolarHBondContact ND2-OE1 3.49Å; T284-Q288 WeakPolarHBondContact O-CG 3.49Å; T284-Q288 PolarHBondContact O-N 3.34Å; F285-Q288 PolarHBondContact O-N 3.08Å; I286-Q288 VanDerWaalsContact C-N 3.34Å; I286-Q288 PolarHBondContact O-N 3.48Å; Q288-L292 HydrophobicContact CG-CD2 4.48Å; Q288-L292 WeakPolarHBondContact O-CB 3.3Å; Q288-L293 PolarHBondContact O-N 3.42Å
289L92Very high94.2Very high65 Ų6541.1 Ų41.134%0.3422%0.22SC..Iπ-helixtrans-75-25-179.5-68.8-176.1000114.1M241 F285 I286 L293M241-L289 HydrophobicContact CE-CD2 4.47Å; F285-L289 HydrophobicContact CD1-CD1 4.45Å; F285-L289 HydrophobicContact CD2-CD1 4.35Å; F285-L289 HydrophobicContact CD2-CG 4.3Å; F285-L289 HydrophobicContact CE1-CD1 3.8Å; F285-L289 HydrophobicContact CE2-CD1 3.7Å; F285-L289 HydrophobicContact CE2-CD2 4.37Å; F285-L289 HydrophobicContact CE2-CG 3.91Å; F285-L289 HydrophobicContact CZ-CD1 3.4Å; F285-L289 VanDerWaalsContact CZ-CD1 3.4Å; F285-L289 HydrophobicContact CZ-CG 4.15Å; F285-L289 PolarHBondContact O-N 3.41Å; I286-L289 PolarHBondContact O-N 3.33Å; L289-L293 VanDerWaalsContact O-CB 3.29Å; L289-L293 WeakPolarHBondContact O-CB 3.34Å; L289-L293 WeakPolarHBondContact O-CD2 3.44Å
290T93.1Very high93.8Very high87 Ų8739.5 Ų39.553%0.53421%0.21SC..Iπ-helixtrans-100.4-64.7-177.757.90000111.9I286 G294I286-T290 HydrophobicContact CG2-CG2 4.38Å; I286-T290 WeakPolarHBondContact O-CB 3.28Å; I286-T290 WeakPolarHBondContact O-CG2 3.27Å; I286-T290 PolarHBondContact O-N 3.09Å; I286-T290 PolarHBondContact O-OG1 3.47Å; T290-G294 PolarHBondContact O-N 3.08Å
291F95Very high93.5Very high70 Ų7046.1 Ų46.131%0.30723%0.234SC..Iπ-helixtrans-73.7-53.9-173.8174.2-104000112A175 Y287 G294 L295A175-F291 HydrophobicContact CB-CE1 4.12Å; A175-F291 HydrophobicContact CB-CZ 4.47Å; Y287-F291 HydrophobicContact CD1-CB 4.08Å; Y287-F291 WeakPolarHBondContact O-CA 3.28Å; Y287-F291 VanDerWaalsContact O-CB 3.31Å; Y287-F291 WeakPolarHBondContact O-CB 3.38Å; Y287-F291 PolarHBondContact O-N 2.71Å; F291-G294 PolarHBondContact O-N 3.34Å; F291-L295 HydrophobicContact CD1-CD1 4.37Å; F291-L295 HydrophobicContact CE1-CD1 3.85Å; F291-L295 HydrophobicContact CE2-CD1 4.02Å; F291-L295 HydrophobicContact CZ-CD1 3.66Å; F291-L295 WeakPolarHBondContact O-CG 3.27Å; F291-L295 PolarHBondContact O-N 2.71Å; F291-L295 VanDerWaalsContact O-N 3.16Å
292L94.8Very high93.2Very high5 Ų548 Ų483%0.02624%0.244CC..Iπ-helixtrans-68.2-44.8-176-175.966.1000111.8L172 T217 M220 Y287 Q288 G294 L295 L296L172-L292 HydrophobicContact CD1-CD1 3.49Å; L172-L292 VanDerWaalsContact CD1-CD1 3.49Å; L172-L292 HydrophobicContact CD1-CG 4.4Å; L172-L292 HydrophobicContact CG-CD1 3.99Å; T217-L292 HydrophobicContact CG2-CD1 4.2Å; T217-L292 HydrophobicContact CG2-CD2 4.15Å; T217-L292 WeakPolarHBondContact OG1-CD2 3.13Å; M220-L292 HydrophobicContact CE-CD2 4.34Å; M220-L292 HydrophobicContact CE-CG 4.28Å; M220-L292 HydrophobicContact SD-CD2 3.71Å; M220-L292 HydrophobicContact SD-CG 4.29Å; Y287-L292 PolarHBondContact O-N 3.26Å; Q288-L292 HydrophobicContact CG-CD2 4.48Å; Q288-L292 WeakPolarHBondContact O-CB 3.3Å; L292-G294 VanDerWaalsContact C-N 3.31Å; L292-G294 PolarHBondContact O-N 2.86Å; L292-L295 PolarHBondContact O-N 2.8Å; L292-L296 PolarHBondContact O-N 3.04Å
293L94.6Very high92.7Very high40 Ų4044.7 Ų44.721%0.20923%0.228CC..Hα-helixtrans-59.3-41174.6-178.857.4000112.1M220 M241 Q288 L289 L295 L296 V297M220-L293 HydrophobicContact CE-CB 4.17Å; M220-L293 HydrophobicContact CE-CD1 4.17Å; M241-L293 HydrophobicContact CE-CD1 3.82Å; M241-L293 HydrophobicContact CE-CD2 4.1Å; M241-L293 HydrophobicContact CE-CG 4.5Å; M241-L293 HydrophobicContact CG-CD1 3.88Å; M241-L293 HydrophobicContact SD-CD1 3.67Å; Q288-L293 PolarHBondContact O-N 3.42Å; L289-L293 VanDerWaalsContact O-CB 3.29Å; L289-L293 WeakPolarHBondContact O-CB 3.34Å; L289-L293 WeakPolarHBondContact O-CD2 3.44Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 PolarHBondContact O-N 3.38Å; L293-L296 HydrophobicContact CD1-CD2 4.07Å; L293-L296 WeakPolarHBondContact O-CB 3.48Å; L293-L296 PolarHBondContact O-N 3.45Å; L293-V297 WeakPolarHBondContact O-CG2 3.33Å; L293-V297 PolarHBondContact O-N 2.77Å
294G94.2Very high92.1Very high34 Ų3447.1 Ų47.135%0.35125%0.25SC..Hα-helixtrans-57.8-42.7175.100000112.4T290 F291 L292 V297 L298T290-G294 PolarHBondContact O-N 3.08Å; F291-G294 PolarHBondContact O-N 3.34Å; L292-G294 VanDerWaalsContact C-N 3.31Å; L292-G294 PolarHBondContact O-N 2.86Å; G294-V297 PolarHBondContact O-N 2.78Å; G294-L298 WeakPolarHBondContact O-CG 3.3Å; G294-L298 PolarHBondContact O-N 2.87Å
295L93.9Very high91.5Very high56 Ų5652.7 Ų52.729%0.29327%0.274SS..Hα-helixtrans-70.9-35.4176.3-65.9175.9000112.9L172 A175 F291 L292 L293 V297 L298 H299L172-L295 HydrophobicContact CD1-CB 3.7Å; A175-L295 HydrophobicContact CB-CD1 3.33Å; F291-L295 HydrophobicContact CD1-CD1 4.37Å; F291-L295 HydrophobicContact CE1-CD1 3.85Å; F291-L295 HydrophobicContact CE2-CD1 4.02Å; F291-L295 HydrophobicContact CZ-CD1 3.66Å; F291-L295 WeakPolarHBondContact O-CG 3.27Å; F291-L295 PolarHBondContact O-N 2.71Å; F291-L295 VanDerWaalsContact O-N 3.16Å; L292-L295 PolarHBondContact O-N 2.8Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 PolarHBondContact O-N 3.38Å; L295-V297 VanDerWaalsContact C-N 3.33Å; L295-V297 PolarHBondContact O-N 2.94Å; L295-L298 HydrophobicContact CD2-CD1 4.29Å; L295-L298 PolarHBondContact O-N 2.93Å; L295-H299 PolarHBondContact O-N 3.23Å
296L93Very high90.6Very high0 Ų050.8 Ų50.80%027%0.268CS..Hα-helixtrans-59.1-43.8173.1-176.274.2000111.1L172 M220 L224 I237 M241 L292 L293 L298 H299 A300L172-L296 HydrophobicContact CD1-CB 4.46Å; L172-L296 HydrophobicContact CD2-CB 4.28Å; L172-L296 HydrophobicContact CD2-CD1 3.44Å; L172-L296 VanDerWaalsContact CD2-CD1 3.44Å; L172-L296 HydrophobicContact CD2-CG 4.48Å; M220-L296 HydrophobicContact CE-CD2 3.91Å; L224-L296 HydrophobicContact CB-CD1 4.39Å; L224-L296 HydrophobicContact CD2-CD1 3.6Å; L224-L296 HydrophobicContact CD2-CG 4.23Å; I237-L296 HydrophobicContact CD1-CD2 4.15Å; I237-L296 HydrophobicContact CD1-CG 4.07Å; M241-L296 HydrophobicContact SD-CD2 4.32Å; L292-L296 PolarHBondContact O-N 3.04Å; L293-L296 HydrophobicContact CD1-CD2 4.07Å; L293-L296 WeakPolarHBondContact O-CB 3.48Å; L293-L296 PolarHBondContact O-N 3.45Å; L296-L298 PolarHBondContact O-N 2.95Å; L296-H299 WeakPolarHBondContact O-CB 3.22Å; L296-H299 PolarHBondContact O-N 2.99Å; L296-A300 PolarHBondContact O-N 3.18Å
297V92.9Very high89.9Confident38 Ų3850.4 Ų50.423%0.2326%0.26CS..Hα-helixtrans-63.4-41.9176.7173.10000111.5I237 L293 G294 L295 H299 A300 R301I237-V297 HydrophobicContact CD1-CG2 4.18Å; I237-V297 HydrophobicContact CG1-CG2 4.23Å; I237-V297 HydrophobicContact CG2-CG2 4.12Å; L293-V297 WeakPolarHBondContact O-CG2 3.33Å; L293-V297 PolarHBondContact O-N 2.77Å; G294-V297 PolarHBondContact O-N 2.78Å; L295-V297 VanDerWaalsContact C-N 3.33Å; L295-V297 PolarHBondContact O-N 2.94Å; V297-H299 VanDerWaalsContact C-N 3.33Å; V297-A300 PolarHBondContact O-N 2.61Å; V297-R301 WeakPolarHBondContact O-CG 3.01Å; V297-R301 PolarHBondContact O-N 3.19Å
298L91Very high89.2Confident93 Ų9348.9 Ų48.949%0.48726%0.255SS..Hα-helixtrans-64.2-39.7176-69178.4000111.9G294 L295 L296 R301 N302G294-L298 WeakPolarHBondContact O-CG 3.3Å; G294-L298 PolarHBondContact O-N 2.87Å; L295-L298 HydrophobicContact CD2-CD1 4.29Å; L295-L298 PolarHBondContact O-N 2.93Å; L296-L298 PolarHBondContact O-N 2.95Å; L298-R301 PolarHBondContact O-N 2.97Å; L298-N302 PolarHBondContact O-N 3.38Å; L298-N302 VanDerWaalsContact O-N 3.09Å; L298-N302 PolarHBondContact O-ND2 2.95Å
299H90.5Very high88.6Confident18 Ų1849 Ų498%0.08326%0.256CS..Hα-helixtrans-61.8-51.2174.4177.176.1000111.4T169 L295 L296 V297 R301 N302 E303T169-H299 VanDerWaalsContact CG2-NE2 3.25Å; T169-H299 WeakPolarHBondContact CG2-NE2 3.26Å; L295-H299 PolarHBondContact O-N 3.23Å; L296-H299 WeakPolarHBondContact O-CB 3.22Å; L296-H299 PolarHBondContact O-N 2.99Å; V297-H299 VanDerWaalsContact C-N 3.33Å; H299-R301 PolarHBondContact O-N 3.44Å; H299-N302 CarbonylContact O-C 3.55Å; H299-N302 WeakPolarHBondContact O-CA 3.45Å; H299-N302 WeakPolarHBondContact O-CB 3.41Å; H299-N302 PolarHBondContact O-N 3.45Å; H299-E303 PolarHBondContact O-N 2.92Å
300A89.1Confident88Confident0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-59.8-34.5179.500000112.7L224 V233 I237 L296 V297 A304L224-A300 HydrophobicContact CD1-CB 4.5Å; L224-A300 HydrophobicContact CD2-CB 4.27Å; V233-A300 HydrophobicContact CG1-CB 3.81Å; I237-A300 HydrophobicContact CD1-CB 3.92Å; I237-A300 HydrophobicContact CG1-CB 4.3Å; L296-A300 PolarHBondContact O-N 3.18Å; V297-A300 PolarHBondContact O-N 2.61Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.44Å
301R89.7Confident87.3Confident138 Ų13849 Ų4952%0.52126%0.255SS..Hα-helixtrans-66.9-35.8172.3-73.8179.2177.4-175.6-0113.1V233 V297 L298 H299 K305V233-R301 HydrophobicContact CG1-CG 3.95Å; V297-R301 WeakPolarHBondContact O-CG 3.01Å; V297-R301 PolarHBondContact O-N 3.19Å; L298-R301 PolarHBondContact O-N 2.97Å; H299-R301 PolarHBondContact O-N 3.44Å; R301-K305 WeakPolarHBondContact O-CG 3.28Å; R301-K305 PolarHBondContact O-N 3.34Å
302N88.2Confident86.1Confident39 Ų3948.1 Ų48.121%0.20926%0.256CS..Hα-helixtrans-73.8-40.3176.7-76.3-27.7000111.5L298 H299 K305 G306 R307L298-N302 PolarHBondContact O-N 3.38Å; L298-N302 VanDerWaalsContact O-N 3.09Å; L298-N302 PolarHBondContact O-ND2 2.95Å; H299-N302 CarbonylContact O-C 3.55Å; H299-N302 WeakPolarHBondContact O-CA 3.45Å; H299-N302 WeakPolarHBondContact O-CB 3.41Å; H299-N302 PolarHBondContact O-N 3.45Å; N302-K305 CarbonylContact O-C 3.58Å; N302-K305 PolarHBondContact O-N 3.01Å; N302-K305 VanDerWaalsContact O-N 3.13Å; N302-G306 PolarHBondContact O-N 3.26Å; N302-R307 HydrophobicContact CB-CB 4.24Å; N302-R307 PolarHBondContact O-N 3.31Å; N302-R307 WeakPolarHBondContact OD1-CD 3.43Å; N302-R307 PolarHBondContact OD1-NH1 3.14Å
303E84.7Confident85.3Confident21 Ų2153.5 Ų53.510%0.09829%0.293CS..Hα-helixtrans-57.9-48.7173.2-173.4-168.2-179.900110.7R236 H299 K305 G306R236-E303 IonicContact CZ-OE2 3.47Å; R236-E303 IonicContact NH1-OE1 3.66Å; R236-E303 IonicContact NH1-OE2 3.67Å; R236-E303 PolarHBondContact NH1-OE2 3.04Å; R236-E303 IonicContact NH2-OE1 2.7Å; R236-E303 PolarHBondContact NH2-OE1 3.16Å; R236-E303 IonicContact NH2-OE2 2.98Å; R236-E303 PolarHBondContact NH2-OE2 3.37Å; H299-E303 PolarHBondContact O-N 2.92Å; E303-K305 PolarHBondContact O-N 3.27Å; E303-K305 VanDerWaalsContact O-N 3.14Å; E303-G306 PolarHBondContact O-N 2.93Å
304A83.1Confident84.4Confident66 Ų6656.3 Ų56.355%0.54531%0.308SS..Hα-helixtrans-60.8-26.3177.500000113.5V233 A300V233-A304 HydrophobicContact CG2-CB 3.5Å; V233-A304 VanDerWaalsContact CG2-CB 3.5Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.44Å
305K82.2Confident83.3Confident118 Ų11863.4 Ų63.451%0.51333%0.329SS..THydrogen-bonded Turntrans-86.6-3.9175.5-70.7176.1-176.2179.90113.3R301 N302 E303 R307R301-K305 WeakPolarHBondContact O-CG 3.28Å; R301-K305 PolarHBondContact O-N 3.34Å; N302-K305 CarbonylContact O-C 3.58Å; N302-K305 PolarHBondContact O-N 3.01Å; N302-K305 VanDerWaalsContact O-N 3.13Å; E303-K305 PolarHBondContact O-N 3.27Å; E303-K305 VanDerWaalsContact O-N 3.14Å; K305-R307 VanDerWaalsContact C-N 3.33Å; K305-R307 HydrophobicContact CB-CG 3.96Å
306G77.3Confident82.1Confident7 Ų762.5 Ų62.57%0.07233%0.326CS..THydrogen-bonded Turntrans62.540.2-174.600000112.1N302 E303 T316N302-G306 PolarHBondContact O-N 3.26Å; E303-G306 PolarHBondContact O-N 2.93Å; G306-T316 PolarHBondContact O-N 3.45Å; G306-T316 PolarHBondContact O-OG1 3Å; G306-T316 VanDerWaalsContact O-OG1 3.05Å
307R81.1Confident80.5Confident89 Ų8968 Ų6834%0.33636%0.359SS..BIsolated β-bridgetrans-92.6146.7177.9-70.4172.5170.5-171.9-8.2110.2N302 K305 P312 L314N302-R307 HydrophobicContact CB-CB 4.24Å; N302-R307 PolarHBondContact O-N 3.31Å; N302-R307 WeakPolarHBondContact OD1-CD 3.43Å; N302-R307 PolarHBondContact OD1-NH1 3.14Å; K305-R307 VanDerWaalsContact C-N 3.33Å; K305-R307 HydrophobicContact CB-CG 3.96Å; R307-P312 WeakPolarHBondContact CD-O 3.5Å; R307-P312 WeakPolarHBondContact CG-O 3.34Å; R307-L314 WeakPolarHBondContact CA-O 3.42Å
308H80.5Confident78.5Confident32 Ų3272.8 Ų72.815%0.14837%0.373CS..  trans-65.2135.5173.1-169-71.4000110.3W165 L310 V311 P312 L314 T316W165-H308 AromaticContact CD1-NE2 3.93Å; W165-H308 AromaticContact CD2-CE1 3.8Å; W165-H308 AromaticContact CD2-NE2 3.46Å; W165-H308 AromaticContact CE3-CE1 3.65Å; W165-H308 AromaticContact CE3-NE2 3.83Å; W165-H308 AromaticContact CG-CD2 3.94Å; W165-H308 AromaticContact CG-NE2 3.39Å; H308-L310 PolarHBondContact ND1-N 2.86Å; H308-L310 VanDerWaalsContact ND1-N 3.19Å; H308-V311 CarbonylContact O-C 3.58Å; H308-V311 VanDerWaalsContact O-C 3.29Å; H308-P312 WeakPolarHBondContact O-CA 3.35Å; H308-L314 HydrophobicContact CB-CB 3.92Å; H308-L314 PolarHBondContact N-O 2.76Å; H308-T316 HydrophobicContact CB-CG2 3.85Å
309V79.4Confident76.5Confident12 Ų1273.5 Ų73.57%0.07337%0.373CS..SBendtrans-63.3-46.6-174.963.30000113.9W165 S168 P170 L171W165-V309 HydrophobicContact CE3-CG1 3.98Å; W165-V309 WeakPolarHBondContact O-CB 3.48Å; W165-V309 WeakPolarHBondContact O-CG1 3.36Å; W165-V309 PolarHBondContact O-N 3.3Å; W165-V309 VanDerWaalsContact O-N 3.15Å; S168-V309 WeakPolarHBondContact O-CG2 3.39Å; P170-V309 HydrophobicContact CG-CG1 4.05Å; P170-V309 HydrophobicContact CG-CG2 4.34Å; L171-V309 VanDerWaalsContact CD1-O 3.28Å; L171-V309 WeakPolarHBondContact CD1-O 3.26Å
310L79.1Confident74.3Confident86 Ų8679.5 Ų79.545%0.4540%0.398SS..SBendtrans-74.1-33.6-178.7-64175.9000113.5W165 P170 L171 H308W165-L310 HydrophobicContact CE3-CD1 4.46Å; W165-L310 HydrophobicContact CH2-CD1 4.24Å; W165-L310 HydrophobicContact CZ3-CD1 3.73Å; W165-L310 HydrophobicContact CZ3-CG 4.26Å; P170-L310 HydrophobicContact CG-CD2 3.82Å; P170-L310 HydrophobicContact CG-CG 4.5Å; L171-L310 HydrophobicContact CD2-CD2 4.26Å; L171-L310 HydrophobicContact CG-CD2 4.29Å; H308-L310 PolarHBondContact ND1-N 2.86Å; H308-L310 VanDerWaalsContact ND1-N 3.19Å
311V79.3Confident71.9Confident67 Ų6783.8 Ų83.841%0.40642%0.418SS..  trans-128.786.2-176.9-172.70000107.6H308 C313 L314H308-V311 CarbonylContact O-C 3.58Å; H308-V311 VanDerWaalsContact O-C 3.29Å; V311-C313 HydrophobicContact CG1-CB 4.2Å; V311-C313 PolarHBondContact O-N 3.46Å; V311-L314 HydrophobicContact CB-CD1 3.93Å; V311-L314 HydrophobicContact CB-CG 4.13Å; V311-L314 HydrophobicContact CG1-CD1 4.02Å; V311-L314 HydrophobicContact CG1-CG 3.84Å; V311-L314 HydrophobicContact CG2-CD1 4.41Å; V311-L314 PolarHBondContact O-N 3.14Å
312P70.8Confident69.8Low51 Ų5179.3 Ų79.333%0.33141%0.411SS..THydrogen-bonded Turntrans-58.4-14.2-175.5-25.334000114.7R307 H308R307-P312 WeakPolarHBondContact CD-O 3.5Å; R307-P312 WeakPolarHBondContact CG-O 3.34Å; H308-P312 WeakPolarHBondContact O-CA 3.35Å
313C76.5Confident67.7Low119 Ų11980.5 Ų80.580%0.80443%0.426SS*.THydrogen-bonded Turntrans-72.6-26.7174.6-57.50000113.2V311V311-C313 HydrophobicContact CG1-CB 4.2Å; V311-C313 PolarHBondContact O-N 3.46Å
314L76.2Confident65.3Low98 Ų9887.3 Ų87.351%0.51346%0.455SS..SBendtrans-84.8129.9180-63.3175.5000110.1R307 H308 V311R307-L314 WeakPolarHBondContact CA-O 3.42Å; H308-L314 HydrophobicContact CB-CB 3.92Å; H308-L314 PolarHBondContact N-O 2.76Å; V311-L314 HydrophobicContact CB-CD1 3.93Å; V311-L314 HydrophobicContact CB-CG 4.13Å; V311-L314 HydrophobicContact CG1-CD1 4.02Å; V311-L314 HydrophobicContact CG1-CG 3.84Å; V311-L314 HydrophobicContact CG2-CD1 4.41Å; V311-L314 PolarHBondContact O-N 3.14Å
315K71.2Confident63Low183 Ų18389 Ų8980%0.79646%0.462SS*.BIsolated β-bridgetrans-87.4134.4170.2-69.5-180-177.9172.50109.2
316T68.2Low60.6Low37 Ų3789.5 Ų89.523%0.22747%0.47CS..PPolyproline II helixtrans-101168.7171.857.40000109.8T166 G306 H308 R318T166-T316 HydrophobicContact CG2-CG2 4.26Å; T166-T316 WeakPolarHBondContact CG2-OG1 3.39Å; G306-T316 PolarHBondContact O-N 3.45Å; G306-T316 PolarHBondContact O-OG1 3Å; G306-T316 VanDerWaalsContact O-OG1 3.05Å; H308-T316 HydrophobicContact CB-CG2 3.85Å; T316-R318 PolarHBondContact O-N 3.39Å
317V60.3Low58.4Low115 Ų11594 Ų9470%0.69750%0.496SS*.PPolyproline II helixtrans-59.4130.1174.1-176.30000109.2
318R49.6Very low56.1Low139 Ų13994.9 Ų94.953%0.52551%0.514SS..PPolyproline II helixtrans-70138.8177.5-79.3179.9-178.2163.6-2.5110.5T316 K320 E321 A322T316-R318 PolarHBondContact O-N 3.39Å; R318-K320 PolarHBondContact O-N 3.21Å; R318-E321 HydrophobicContact CB-CB 4.18Å; R318-E321 HydrophobicContact CB-CG 4.23Å; R318-E321 IonicContact NH1-OE1 2.88Å; R318-E321 WeakPolarHBondContact O-CA 3.49Å; R318-E321 PolarHBondContact O-N 3.15Å; R318-A322 PolarHBondContact O-N 3.04Å
319F50.4Low53.8Low109 Ų10999.3 Ų99.348%0.47855%0.545SS..Hα-helixtrans-55.8-35.8166.9-174.9-100.2000112.5E321 A322 A323F319-E321 PolarHBondContact O-N 3.36Å; F319-A322 PolarHBondContact O-N 3.24Å; F319-A323 PolarHBondContact O-N 3.46Å; F319-A323 VanDerWaalsContact O-N 3.09Å
320K43.7Very low51.6Low144 Ų144105.8 Ų105.863%0.62658%0.578SS**Hα-helixtrans-64.6-22.2173.8-78.6-171177.2-179.30114.1R318R318-K320 PolarHBondContact O-N 3.21Å
321E39.5Very low49.3Very low90 Ų90106.9 Ų106.942%0.42159%0.59SS.*Hα-helixtrans-89.7-36.2175.3-77.8155.4-163.700110.8R318 F319 K324 C325R318-E321 HydrophobicContact CB-CB 4.18Å; R318-E321 HydrophobicContact CB-CG 4.23Å; R318-E321 IonicContact NH1-OE1 2.88Å; R318-E321 WeakPolarHBondContact O-CA 3.49Å; R318-E321 PolarHBondContact O-N 3.15Å; F319-E321 PolarHBondContact O-N 3.36Å; E321-K324 WeakPolarHBondContact O-CB 3.47Å; E321-K324 PolarHBondContact O-N 3.08Å; E321-K324 VanDerWaalsContact O-N 3.12Å; E321-C325 PolarHBondContact O-N 3.05Å; E321-C325 PolarHBondContact O-SG 3.29Å; E321-C325 VanDerWaalsContact O-SG 3.34Å
322A44Very low47Very low43 Ų43113.1 Ų113.136%0.35562%0.615SS.*Hα-helixtrans-60.9-45.7173.800000112.9R318 F319 K324 C325 D326R318-A322 PolarHBondContact O-N 3.04Å; F319-A322 PolarHBondContact O-N 3.24Å; A322-K324 PolarHBondContact O-N 3.33Å; A322-C325 PolarHBondContact O-N 3.46Å; A322-D326 PolarHBondContact O-N 2.96Å
323A43.9Very low45Very low64 Ų64116.4 Ų116.453%0.52963%0.634SS.*Hα-helixtrans-65.8-18.817600000113.7F319F319-A323 PolarHBondContact O-N 3.46Å; F319-A323 VanDerWaalsContact O-N 3.09Å
324K36Very low42.7Very low165 Ų165115.1 Ų115.172%0.71763%0.632SS**Hα-helixtrans-86.7-20.8171-76.1-177.1175.7-173.10112.8E321 A322 T327E321-K324 WeakPolarHBondContact O-CB 3.47Å; E321-K324 PolarHBondContact O-N 3.08Å; E321-K324 VanDerWaalsContact O-N 3.12Å; A322-K324 PolarHBondContact O-N 3.33Å; K324-T327 PolarHBondContact O-OG1 2.96Å; K324-T327 VanDerWaalsContact O-OG1 3.1Å
325C33.5Very low40.4Very low101 Ų101121.5 Ų121.568%0.68265%0.649SS**Hα-helixtrans-82.6-19179.8-74.80000113.4E321 A322 T327E321-C325 PolarHBondContact O-N 3.05Å; E321-C325 PolarHBondContact O-SG 3.29Å; E321-C325 VanDerWaalsContact O-SG 3.34Å; A322-C325 PolarHBondContact O-N 3.46Å; C325-T327 VanDerWaalsContact C-N 3.27Å; C325-T327 PolarHBondContact O-N 3.5Å
326D33Very low38.2Very low128 Ų128121.1 Ų121.168%0.68465%0.65SS**THydrogen-bonded Turntrans-80.1-0.1178.2-76.8-19.7000114.5A322 P328A322-D326 PolarHBondContact O-N 2.96Å; D326-P328 VanDerWaalsContact O-CD 3.29Å; D326-P328 WeakPolarHBondContact O-CD 3.4Å
327T31.4Very low36.3Very low102 Ų102126.9 Ų126.963%0.62668%0.68SS**SBendtrans-80.1113.7162.745.20000108.9K324 C325K324-T327 PolarHBondContact O-OG1 2.96Å; K324-T327 VanDerWaalsContact O-OG1 3.1Å; C325-T327 VanDerWaalsContact C-N 3.27Å; C325-T327 PolarHBondContact O-N 3.5Å
328P31.1Very low34.7Very low107 Ų107126.2 Ų126.270%0.69568%0.68SS**  trans-58.4136.8177.522.4-31000109.6D326 I330D326-P328 VanDerWaalsContact O-CD 3.29Å; D326-P328 WeakPolarHBondContact O-CD 3.4Å; P328-I330 PolarHBondContact O-N 3.2Å
329P32.2Very low33.6Very low125 Ų125128.3 Ų128.381%0.81269%0.693SS**  trans-62.1115.7176.323.4-29.9000108.6
330I33.4Very low32.5Very low149 Ų149132 Ų13276%0.76471%0.709SS**  trans-54.7124.6172.4-59.1167.8000107.1P328 Q332P328-I330 PolarHBondContact O-N 3.2Å; I330-Q332 PolarHBondContact O-N 3.01Å
331P31.2Very low31.6Very low108 Ų108133.3 Ų133.370%0.70172%0.715SS**  trans-61.1111.9-179.3-19.530.2000110.2T333P331-T333 VanDerWaalsContact C-N 3.29Å; P331-T333 PolarHBondContact O-N 3.09Å
332Q32.1Very low31.1Very low198 Ų198135.4 Ų135.493%0.92573%0.734SS**  trans-7681.8172.1-68.6-176.4-3.300109.2I330I330-Q332 PolarHBondContact O-N 3.01Å
333T26.9Very low30.2Very low121 Ų121141.2 Ų141.274%0.74276%0.76SS**  trans-137.1123165.3500000110.6P331P331-T333 VanDerWaalsContact C-N 3.29Å; P331-T333 PolarHBondContact O-N 3.09Å
334A29.8Very low29.4Very low92 Ų92141.2 Ų141.276%0.7677%0.766SS**  trans72.7125.6168.700000115.4
335R27.4Very low29.1Very low232 Ų232140.3 Ų140.388%0.87577%0.774SS**  cis-164142.116.7-109.5160.8-177.7-176.90.2108.9N337R335-N337 PolarHBondContact O-N 2.73Å
336Q25.8Very low28.8Very low174 Ų174143 Ų14381%0.81378%0.782SS**  trans-29.3129.3148-73.1157.2-36.900112.4
337N27.3Very low28.6Very low159 Ų159145.4 Ų145.485%0.8579%0.789SS**  179.5139.5118.1-89.1-17.8000112.9R335R335-N337 PolarHBondContact O-N 2.73Å
338S27.6Very low28.6Very low100 Ų100148.7 Ų148.770%0.69980%0.802SS**  trans7676.1153.8-175.60000118.1K340S338-K340 PolarHBondContact O-N 3.04Å
339F26.3Very low28.7Very low183 Ų183149.9 Ų149.980%0.80381%0.807SS**  trans-60.5107.8151.2-158.6-98.3000109.8F341F339-F341 AromaticContact CE1-CD2 3.77Å; F339-F341 HydrophobicContact CE1-CD2 3.77Å; F339-F341 HydrophobicContact CE1-CE2 4.29Å; F339-F341 AromaticContact CZ-CD2 3.81Å; F339-F341 HydrophobicContact CZ-CD2 3.81Å; F339-F341 AromaticContact CZ-CE2 3.9Å; F339-F341 HydrophobicContact CZ-CE2 3.9Å
340K25.9Very low28.4Very low188 Ų188147.2 Ų147.282%0.81780%0.803SS**  trans-133.5104.9160.3-89.3-170.9176.8-179.30109.1S338S338-K340 PolarHBondContact O-N 3.04Å
341F25.4Very low28.3Very low170 Ų170145.9 Ų145.975%0.74680%0.797SS**  trans-68.3120.8167.4-119.6-103.5000108.4F339F339-F341 AromaticContact CE1-CD2 3.77Å; F339-F341 HydrophobicContact CE1-CD2 3.77Å; F339-F341 HydrophobicContact CE1-CE2 4.29Å; F339-F341 AromaticContact CZ-CD2 3.81Å; F339-F341 HydrophobicContact CZ-CD2 3.81Å; F339-F341 AromaticContact CZ-CE2 3.9Å; F339-F341 HydrophobicContact CZ-CE2 3.9Å
342T28.4Very low28.1Very low134 Ų134150.2 Ų150.282%0.82280%0.799SS**  trans-136.8127.3155.544.30000108.4
343D25.3Very low28Very low166 Ų166149.3 Ų149.389%0.88880%0.795SS**  trans-42.6139.1175.8-76.3-47.7000113.7
344G28.1Very low28.2Very low64 Ų64148.1 Ų148.166%0.6679%0.79SS**  trans166.397.6172.900000109.5D346G344-D346 VanDerWaalsContact C-N 3.33Å; G344-D346 PolarHBondContact O-N 2.66Å
345T29.4Very low28.3Very low145 Ų145148.9 Ų148.989%0.8978%0.781SS**  trans-53.894.4164.541.80000109.5
346D27.6Very low28.3Very low157 Ų157143.4 Ų143.484%0.8477%0.765SS**  trans-131.4122.2167.5-92.5-29.8000109.9G344G344-D346 VanDerWaalsContact C-N 3.33Å; G344-D346 PolarHBondContact O-N 2.66Å
347E28.5Very low28.6Very low179 Ų179139.1 Ų139.184%0.83676%0.759SS**  trans-57.4138.2-176.1-67.8170130.200112.2T349E347-T349 PolarHBondContact O-N 2.85Å
348L31.9Very low28.9Very low171 Ų171134.8 Ų134.890%0.89575%0.746SS**  trans-1397163.5-91.478.5000115.6
349T31.5Very low29.3Very low133 Ų133135.8 Ų135.882%0.81674%0.743SS**  trans-109.416.316443.80000113.7E347E347-T349 PolarHBondContact O-N 2.85Å
350G27.5Very low29.5Very low69 Ų69132.9 Ų132.971%0.71174%0.736SS**  trans-84.3-7.4-174.500000118.3
351N29.9Very low29.8Very low121 Ų121132.3 Ų132.365%0.64774%0.736SS**  trans-116.922.8-167.8-89.6-0.1000116.6H353 C354 L355N351-H353 VanDerWaalsContact C-N 3.3Å; N351-H353 PolarHBondContact O-N 3.08Å; N351-C354 PolarHBondContact O-N 3.43Å; N351-L355 PolarHBondContact O-N 3.33Å
352R28.7Very low30.2Very low198 Ų198128.7 Ų128.775%0.74773%0.729SS**Hα-helixtrans-67.1-24.2176.6-82.7-175.6174.4169.6-0.2114.5L355 Q356R352-L355 PolarHBondContact O-N 3.23Å; R352-Q356 PolarHBondContact O-N 2.93Å; R352-Q356 VanDerWaalsContact O-N 3.12Å
353H28.5Very low30.5Very low180 Ų180129 Ų12983%0.83373%0.731SS**Hα-helixtrans-75.5-25.8176.7-96.3-74.3000114.3N351N351-H353 VanDerWaalsContact C-N 3.3Å; N351-H353 PolarHBondContact O-N 3.08Å
354C31.3Very low31.2Very low95 Ų95125.8 Ų125.864%0.64273%0.728SS**Hα-helixtrans-85.4-25.4171.7-76.90000112.6N351N351-C354 PolarHBondContact O-N 3.43Å
355L31.5Very low31.7Very low109 Ų109125.4 Ų125.457%0.57172%0.719SS**Hα-helixtrans-78-33.2178.3-143.286.4000112.5N351 R352 A357 A358 L359N351-L355 PolarHBondContact O-N 3.33Å; R352-L355 PolarHBondContact O-N 3.23Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.45Å; L355-A358 PolarHBondContact O-N 3.18Å; L355-A358 VanDerWaalsContact O-N 3.07Å; L355-L359 HydrophobicContact CD2-CD1 4.17Å; L355-L359 HydrophobicContact CG-CD1 4.43Å; L355-L359 PolarHBondContact O-N 3.49Å
356Q27.8Very low32.7Very low117 Ų117120.4 Ų120.455%0.54769%0.685SS.*Hα-helixtrans-65.5-35.8176.8-147.584.914.300111.7R352 A358 L359 D360R352-Q356 PolarHBondContact O-N 2.93Å; R352-Q356 VanDerWaalsContact O-N 3.12Å; Q356-A358 PolarHBondContact O-N 2.9Å; Q356-L359 PolarHBondContact O-N 3.43Å; Q356-D360 PolarHBondContact O-N 2.78Å
357A32.3Very low33.9Very low83 Ų83117.5 Ų117.569%0.68666%0.664SS**Hα-helixtrans-70-13.7173.600000113.9L355L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.45Å
358A33.9Very low35Very low69 Ų69109 Ų10957%0.5763%0.625SS**Hα-helixtrans-98.2-16.1173.800000113.1L355 Q356L355-A358 PolarHBondContact O-N 3.18Å; L355-A358 VanDerWaalsContact O-N 3.07Å; Q356-A358 PolarHBondContact O-N 2.9Å
359L36.7Very low36Very low121 Ų121105.7 Ų105.763%0.63461%0.608SS**Hα-helixtrans-93.7-21.9178.7-82158.7000113L355 Q356 E361L355-L359 HydrophobicContact CD2-CD1 4.17Å; L355-L359 HydrophobicContact CG-CD1 4.43Å; L355-L359 PolarHBondContact O-N 3.49Å; Q356-L359 PolarHBondContact O-N 3.43Å; L359-E361 PolarHBondContact O-N 2.94Å; L359-E361 VanDerWaalsContact O-N 3.1Å
360D29.7Very low36.9Very low122 Ų122103.8 Ų103.865%0.65260%0.596SS**  trans-81.471161.5-70.1-25000108.5Q356 P362Q356-D360 PolarHBondContact O-N 2.78Å; D360-P362 WeakPolarHBondContact O-CD 3.48Å
361E31.8Very low38.2Very low176 Ų176101.6 Ų101.682%0.82257%0.568SS**  trans-56.3112.3158.6-97.8-176162.300106.3L359 T363L359-E361 PolarHBondContact O-N 2.94Å; L359-E361 VanDerWaalsContact O-N 3.1Å; E361-T363 PolarHBondContact O-N 2.79Å
362P33.9Very low39.6Very low93 Ų9398.2 Ų98.260%0.60455%0.548SS*.  trans-60.5116.3176.822.4-27.6000106.8D360 A364 A365D360-P362 WeakPolarHBondContact O-CD 3.48Å; P362-A364 PolarHBondContact O-N 3.29Å; P362-A365 HydrophobicContact CG-CB 4.32Å; P362-A365 PolarHBondContact O-N 3.21Å; P362-A365 VanDerWaalsContact O-N 3.1Å
363T34.5Very low41.4Very low140 Ų14088.9 Ų88.986%0.85951%0.513SS*.THydrogen-bonded Turntrans-4.194.5160.723.50000111.6E361 A365E361-T363 PolarHBondContact O-N 2.79Å; T363-A365 PolarHBondContact O-N 3.25Å; T363-A365 VanDerWaalsContact O-N 3.12Å
364A39.3Very low43.6Very low100 Ų10081.6 Ų81.683%0.82648%0.481SS*.THydrogen-bonded Turntrans24.272.6-178.300000113.4P362 F366P362-A364 PolarHBondContact O-N 3.29Å; A364-F366 PolarHBondContact O-N 3.48Å
365A39.5Very low45.9Very low56 Ų5684.3 Ų84.346%0.46348%0.478SS..  trans-46.1117175.400000109.7P362 T363 K367 T370P362-A365 HydrophobicContact CG-CB 4.32Å; P362-A365 PolarHBondContact O-N 3.21Å; P362-A365 VanDerWaalsContact O-N 3.1Å; T363-A365 PolarHBondContact O-N 3.25Å; T363-A365 VanDerWaalsContact O-N 3.12Å; A365-K367 PolarHBondContact O-N 3.07Å; A365-T370 HydrophobicContact CB-CG2 4.34Å
366F51Low48.4Very low40 Ų4079.6 Ų79.618%0.17545%0.454CS..  trans-54.9128.5-174-174.9-122.8000110.6A364 A368 D369 T370 D698 D703 R706A364-F366 PolarHBondContact O-N 3.48Å; F366-A368 HydrophobicContact CD1-CB 3.55Å; F366-A368 HydrophobicContact CE1-CB 3.06Å; F366-A368 HydrophobicContact CZ-CB 3.75Å; F366-A368 PolarHBondContact O-N 2.92Å; F366-A368 VanDerWaalsContact O-N 3.16Å; F366-D369 HydrophobicContact CB-CB 4.27Å; F366-D369 PolarHBondContact O-N 2.91Å; F366-T370 PolarHBondContact O-N 2.89Å; F366-D698 HydrophobicContact CE2-CB 3.8Å; F366-D698 WeakPolarHBondContact CE2-OD1 3.25Å; F366-D698 WeakPolarHBondContact CE2-OD2 3.47Å; F366-D698 HydrophobicContact CZ-CB 4.37Å; F366-D698 WeakPolarHBondContact CZ-OD2 3.47Å; F366-D703 HydrophobicContact CD2-CB 4.49Å; F366-D703 HydrophobicContact CE1-CB 4.32Å; F366-D703 HydrophobicContact CE2-CB 3.35Å; F366-D703 HydrophobicContact CZ-CB 3.27Å; F366-D703 WeakPolarHBondContact CZ-O 3.47Å; F366-R706 HydrophobicContact CE1-CB 4.47Å
367K51.4Low51Low95 Ų9574.1 Ų74.141%0.41343%0.429SS..Hα-helixtrans-58.6-31.9-177.2-94.5-171.8172.7-179.40112.3A365 D369 T370 E697A365-K367 PolarHBondContact O-N 3.07Å; K367-D369 VanDerWaalsContact C-N 3.3Å; K367-D369 PolarHBondContact O-N 3.33Å; K367-T370 PolarHBondContact O-N 3.48Å; K367-T370 PolarHBondContact O-OG1 3.34Å; K367-E697 WeakPolarHBondContact CE-OE2 3Å; K367-E697 IonicContact NZ-OE1 2.86Å; K367-E697 PolarHBondContact NZ-OE1 3.08Å; K367-E697 IonicContact NZ-OE2 3.79Å; K367-E697 PolarHBondContact NZ-OE2 3.38Å
368A52.5Low53.5Low0 Ų076.1 Ų76.10%042%0.418CS..Hα-helixtrans-70.3-26.7174.900000112.6F366 R381 F707F366-A368 HydrophobicContact CD1-CB 3.55Å; F366-A368 HydrophobicContact CE1-CB 3.06Å; F366-A368 HydrophobicContact CZ-CB 3.75Å; F366-A368 PolarHBondContact O-N 2.92Å; F366-A368 VanDerWaalsContact O-N 3.16Å; A368-R381 HydrophobicContact CB-CG 4.34Å; A368-R381 WeakPolarHBondContact O-CD 3.46Å; A368-R381 PolarHBondContact O-NE 2.92Å; A368-R381 VanDerWaalsContact O-NE 3.17Å; A368-R381 PolarHBondContact O-NH1 3.04Å; A368-F707 HydrophobicContact CB-CB 4.11Å; A368-F707 HydrophobicContact CB-CD2 4.35Å
369D52.8Low56.1Low103 Ų10377.4 Ų77.455%0.55141%0.411SS*.Hα-helixtrans-74.8-28.5176.6-84.2-18.7000112.8F366 K367 Q371F366-D369 HydrophobicContact CB-CB 4.27Å; F366-D369 PolarHBondContact O-N 2.91Å; K367-D369 VanDerWaalsContact C-N 3.3Å; K367-D369 PolarHBondContact O-N 3.33Å; D369-Q371 VanDerWaalsContact C-N 3.3Å; D369-Q371 PolarHBondContact O-N 2.88Å
370T51.3Low58.6Low92 Ų9272.6 Ų72.656%0.56439%0.385SS*.Hα-helixtrans-77.1-12.7177.560.70000113.9A365 F366 K367 E372A365-T370 HydrophobicContact CB-CG2 4.34Å; F366-T370 PolarHBondContact O-N 2.89Å; K367-T370 PolarHBondContact O-N 3.48Å; K367-T370 PolarHBondContact O-OG1 3.34Å; T370-E372 PolarHBondContact O-N 2.93Å
371Q53.4Low61.3Low24 Ų2467.4 Ų67.411%0.11236%0.357CS..  trans-66.3123.8178.7-87.9-176.1-24.600113.3D369 G373 R381 F707D369-Q371 VanDerWaalsContact C-N 3.3Å; D369-Q371 PolarHBondContact O-N 2.88Å; Q371-G373 PolarHBondContact O-N 3.35Å; Q371-G373 VanDerWaalsContact O-N 3.12Å; Q371-R381 PolarHBondContact O-NH1 3.26Å; Q371-F707 HydrophobicContact CG-CE2 4.47Å
372E60.4Low64Low50 Ų5062.6 Ų62.623%0.23434%0.336CS..  trans-77.586.1170.4-72.8-166.8-153.700111.5R167 F225 R229 T370R167-E372 PolarHBondContact NH2-O 2.85Å; F225-E372 CarbonylContact C-O 3.55Å; R229-E372 WeakPolarHBondContact CD-OE2 3.17Å; R229-E372 WeakPolarHBondContact CG-OE2 3.49Å; R229-E372 IonicContact NE-OE2 3.03Å; R229-E372 PolarHBondContact NE-OE2 2.87Å; T370-E372 PolarHBondContact O-N 2.93Å
373G66.1Low66.7Low2 Ų264 Ų642%0.02134%0.335CS..  trans-89.9170.8177.400000115.5R167 Q371R167-G373 PolarHBondContact NH1-O 3.06Å; Q371-G373 PolarHBondContact O-N 3.35Å; Q371-G373 VanDerWaalsContact O-N 3.12Å
374T74.7Confident69.5Low26 Ų2659.4 Ų59.416%0.1630%0.303CS..  trans-66166.3155.162.10000110T152 F225 V376 S377 R378T152-T374 HydrophobicContact CG2-CG2 4.33Å; F225-T374 HydrophobicContact CD2-CG2 4.43Å; T374-V376 PolarHBondContact O-N 2.94Å; T374-S377 PolarHBondContact O-N 3.41Å; T374-S377 PolarHBondContact OG1-N 2.94Å; T374-R378 PolarHBondContact O-N 3.43Å; T374-R378 VanDerWaalsContact O-N 3.08Å
375W79.2Confident71.9Confident153 Ų15354.7 Ų54.758%0.5826%0.264SS*.Hα-helixtrans-58.2-33.1174.570.7-91.8000112.1R378 F379W375-R378 PolarHBondContact O-N 3.28Å; W375-F379 PolarHBondContact O-N 3.32Å
376V83.8Confident74.3Confident10 Ų1053.4 Ų53.46%0.06125%0.251CS..Hα-helixtrans-70.3-44.6177.6-171.60000111.7T374 R378 F379 F380 W714T374-V376 PolarHBondContact O-N 2.94Å; V376-R378 VanDerWaalsContact C-N 3.26Å; V376-R378 PolarHBondContact O-N 3.39Å; V376-F379 WeakPolarHBondContact O-CA 3.18Å; V376-F379 WeakPolarHBondContact O-CB 3.33Å; V376-F379 PolarHBondContact O-N 2.88Å; V376-F380 HydrophobicContact CG1-CD2 3.75Å; V376-F380 HydrophobicContact CG1-CE2 3.59Å; V376-F380 WeakPolarHBondContact O-CD2 3.1Å; V376-F380 PolarHBondContact O-N 3.29Å; V376-W714 HydrophobicContact CB-CD2 3.96Å; V376-W714 HydrophobicContact CB-CE3 4.08Å; V376-W714 HydrophobicContact CB-CG 4.23Å; V376-W714 HydrophobicContact CG1-CB 4.28Å; V376-W714 HydrophobicContact CG1-CD2 3.7Å; V376-W714 HydrophobicContact CG1-CE3 3.35Å; V376-W714 HydrophobicContact CG1-CG 4.13Å; V376-W714 HydrophobicContact CG1-CZ3 3.89Å; V376-W714 HydrophobicContact CG2-CD2 4.28Å; V376-W714 HydrophobicContact CG2-CE3 4.31Å; V376-W714 HydrophobicContact CG2-CH2 4.34Å; V376-W714 HydrophobicContact CG2-CZ2 4.34Å; V376-W714 HydrophobicContact CG2-CZ3 4.33Å
377S83.1Confident76.3Confident2 Ų256.8 Ų56.81%0.01427%0.265CS..Hα-helixtrans-55.1-43.6172.9157.20000111.2H226 T374 F379 F380 R381 G710H226-S377 PolarHBondContact NE2-OG 3.31Å; T374-S377 PolarHBondContact O-N 3.41Å; T374-S377 PolarHBondContact OG1-N 2.94Å; S377-F379 VanDerWaalsContact C-N 3.35Å; S377-F379 PolarHBondContact O-N 3.49Å; S377-F380 PolarHBondContact O-N 3.37Å; S377-R381 WeakPolarHBondContact O-CB 3.16Å; S377-R381 PolarHBondContact O-N 3.32Å; S377-G710 WeakPolarHBondContact CA-O 3.46Å; S377-G710 WeakPolarHBondContact CB-O 3.25Å; S377-G710 PolarHBondContact OG-O 3.05Å
378R83.8Confident78.3Confident125 Ų12552.5 Ų52.547%0.47225%0.247SC..Hα-helixtrans-64.8-35.2174.4-66.1179-172.8171.20.6113T374 W375 V376 N382T374-R378 PolarHBondContact O-N 3.43Å; T374-R378 VanDerWaalsContact O-N 3.08Å; W375-R378 PolarHBondContact O-N 3.28Å; V376-R378 VanDerWaalsContact C-N 3.26Å; V376-R378 PolarHBondContact O-N 3.39Å; R378-N382 WeakPolarHBondContact O-CB 3.19Å; R378-N382 PolarHBondContact O-N 2.93Å
379F89.2Confident80.1Confident96 Ų9653.2 Ų53.242%0.42125%0.251SS..Hα-helixtrans-63.2-48.5173.6170-94.9000111.3W375 V376 S377 R381 H383 F384W375-F379 PolarHBondContact O-N 3.32Å; V376-F379 WeakPolarHBondContact O-CA 3.18Å; V376-F379 WeakPolarHBondContact O-CB 3.33Å; V376-F379 PolarHBondContact O-N 2.88Å; S377-F379 VanDerWaalsContact C-N 3.35Å; S377-F379 PolarHBondContact O-N 3.49Å; F379-R381 VanDerWaalsContact C-N 3.31Å; F379-R381 PolarHBondContact O-N 3.2Å; F379-H383 HydrophobicContact CD2-CB 3.9Å; F379-H383 HydrophobicContact CE2-CB 3.92Å; F379-H383 WeakPolarHBondContact O-CA 3.37Å; F379-H383 WeakPolarHBondContact O-CB 3.31Å; F379-H383 PolarHBondContact O-N 3Å; F379-F384 HydrophobicContact CE1-CB 4.12Å; F379-F384 PolarHBondContact O-N 3.27Å
380F89.8Confident82Confident19 Ų1954 Ų548%0.08325%0.249CC..Iπ-helixtrans-61-42.4178.5-82.9-74.6000112V376 S377 F384 A385 A713 I717 I757V376-F380 HydrophobicContact CG1-CD2 3.75Å; V376-F380 HydrophobicContact CG1-CE2 3.59Å; V376-F380 WeakPolarHBondContact O-CD2 3.1Å; V376-F380 PolarHBondContact O-N 3.29Å; S377-F380 PolarHBondContact O-N 3.37Å; F380-F384 HydrophobicContact CD1-CB 3.9Å; F380-F384 AromaticContact CD1-CD1 3.56Å; F380-F384 HydrophobicContact CD1-CD1 3.56Å; F380-F384 HydrophobicContact CD1-CE1 4.23Å; F380-F384 AromaticContact CD1-CG 3.79Å; F380-F384 HydrophobicContact CD1-CG 3.79Å; F380-F384 HydrophobicContact CE1-CB 4.48Å; F380-F384 AromaticContact CE1-CD1 3.94Å; F380-F384 HydrophobicContact CE1-CD1 3.94Å; F380-F384 HydrophobicContact CE1-CD2 4.48Å; F380-F384 HydrophobicContact CE1-CE1 4.26Å; F380-F384 HydrophobicContact CE1-CG 4.05Å; F380-A385 VanDerWaalsContact O-CB 3.28Å; F380-A385 WeakPolarHBondContact O-CB 3.41Å; F380-A385 PolarHBondContact O-N 2.92Å; F380-A713 HydrophobicContact CB-CB 4.28Å; F380-A713 HydrophobicContact CD1-CB 3.69Å; F380-A713 HydrophobicContact CD2-CB 4.1Å; F380-A713 HydrophobicContact CE1-CB 4.03Å; F380-A713 HydrophobicContact CE2-CB 4.41Å; F380-A713 HydrophobicContact CG-CB 3.75Å; F380-A713 HydrophobicContact CZ-CB 4.39Å; F380-I717 HydrophobicContact CE1-CD1 4.27Å; F380-I717 HydrophobicContact CE2-CD1 3.94Å; F380-I717 HydrophobicContact CZ-CD1 3.39Å; F380-I757 HydrophobicContact CE1-CG2 4.39Å
381R86.3Confident83.9Confident14 Ų1454.7 Ų54.75%0.05326%0.255CS..Iπ-helixtrans-67.6-48.7178.5-170.3175.972.6-165.117.9113.7A368 Q371 S377 F379 P386 R706A368-R381 HydrophobicContact CB-CG 4.34Å; A368-R381 WeakPolarHBondContact O-CD 3.46Å; A368-R381 PolarHBondContact O-NE 2.92Å; A368-R381 VanDerWaalsContact O-NE 3.17Å; A368-R381 PolarHBondContact O-NH1 3.04Å; Q371-R381 PolarHBondContact O-NH1 3.26Å; S377-R381 WeakPolarHBondContact O-CB 3.16Å; S377-R381 PolarHBondContact O-N 3.32Å; F379-R381 VanDerWaalsContact C-N 3.31Å; F379-R381 PolarHBondContact O-N 3.2Å; R381-P386 VanDerWaalsContact O-CD 3.31Å; R381-P386 WeakPolarHBondContact O-CD 3.5Å; R381-R706 HydrophobicContact CG-CB 4.28Å
382N88.2Confident85.8Confident74 Ų7463.3 Ų63.340%0.39629%0.287SS..Iπ-helixtrans-96.8-22.4-166.7-62.3-0.6000113.7R378 P386R378-N382 WeakPolarHBondContact O-CB 3.19Å; R378-N382 PolarHBondContact O-N 2.93Å; N382-P386 WeakPolarHBondContact O-CG 3.49Å
383H89.7Confident87.4Confident124 Ų12461.8 Ų61.857%0.57428%0.281SS*.Iπ-helixtrans-118.5-53.7-176-63.979.5000111.9F379 F387F379-H383 HydrophobicContact CD2-CB 3.9Å; F379-H383 HydrophobicContact CE2-CB 3.92Å; F379-H383 WeakPolarHBondContact O-CA 3.37Å; F379-H383 WeakPolarHBondContact O-CB 3.31Å; F379-H383 PolarHBondContact O-N 3Å; H383-F387 WeakPolarHBondContact O-CB 3.25Å; H383-F387 PolarHBondContact O-N 2.95Å; H383-F387 VanDerWaalsContact O-N 3.08Å
384F93.4Very high88.7Confident43 Ų4363.6 Ų63.619%0.18929%0.288CS..Iπ-helixtrans-70.1-51.2-175.1-176.2-100.4000112.9F379 F380 F387 L388 L709 I757 I758F379-F384 HydrophobicContact CE1-CB 4.12Å; F379-F384 PolarHBondContact O-N 3.27Å; F380-F384 HydrophobicContact CD1-CB 3.9Å; F380-F384 AromaticContact CD1-CD1 3.56Å; F380-F384 HydrophobicContact CD1-CD1 3.56Å; F380-F384 HydrophobicContact CD1-CE1 4.23Å; F380-F384 AromaticContact CD1-CG 3.79Å; F380-F384 HydrophobicContact CD1-CG 3.79Å; F380-F384 HydrophobicContact CE1-CB 4.48Å; F380-F384 AromaticContact CE1-CD1 3.94Å; F380-F384 HydrophobicContact CE1-CD1 3.94Å; F380-F384 HydrophobicContact CE1-CD2 4.48Å; F380-F384 HydrophobicContact CE1-CE1 4.26Å; F380-F384 HydrophobicContact CE1-CG 4.05Å; F384-F387 WeakPolarHBondContact O-CB 3.44Å; F384-F387 PolarHBondContact O-N 2.89Å; F384-L388 HydrophobicContact CE1-CD2 4.24Å; F384-L388 WeakPolarHBondContact O-CB 3.43Å; F384-L388 PolarHBondContact O-N 3.21Å; F384-L709 HydrophobicContact CD1-CD1 4.11Å; F384-L709 HydrophobicContact CE1-CD1 4.18Å; F384-I757 HydrophobicContact CE1-CG2 3.63Å; F384-I757 HydrophobicContact CZ-CG2 3.92Å; F384-I758 HydrophobicContact CZ-CG1 4.3Å
385A91.1Very high89.6Confident0 Ų066.6 Ų66.60%030%0.303CS..Hα-helixtrans-61.1-46.9-179.600000112.3F380 F387 L388 M389 I705 R706 L709F380-A385 VanDerWaalsContact O-CB 3.28Å; F380-A385 WeakPolarHBondContact O-CB 3.41Å; F380-A385 PolarHBondContact O-N 2.92Å; A385-F387 VanDerWaalsContact C-N 3.31Å; A385-F387 PolarHBondContact O-N 3.08Å; A385-L388 PolarHBondContact O-N 3.06Å; A385-M389 WeakPolarHBondContact O-CB 3.35Å; A385-M389 WeakPolarHBondContact O-CG 3.45Å; A385-M389 PolarHBondContact O-N 3.4Å; A385-I705 HydrophobicContact CB-CG2 4.47Å; A385-R706 HydrophobicContact CB-CB 4.39Å; A385-R706 HydrophobicContact CB-CG 3.84Å; A385-L709 HydrophobicContact CB-CB 4.39Å; A385-L709 HydrophobicContact CB-CD1 3.89Å
386P90.3Very high90.3Very high30 Ų3064.3 Ų64.320%0.19530%0.3CS..Hα-helixtrans-63.6-35.2174.6-2335.2000113.2R381 N382 M389 K390R381-P386 VanDerWaalsContact O-CD 3.31Å; R381-P386 WeakPolarHBondContact O-CD 3.5Å; N382-P386 WeakPolarHBondContact O-CG 3.49Å; P386-M389 PolarHBondContact O-N 3.36Å; P386-K390 PolarHBondContact O-N 2.99Å
387F93.1Very high90.9Very high110 Ų11064.7 Ų64.748%0.48230%0.302SS..Hα-helixtrans-61.6-51.3173.5168.3-100.6000110.7H383 F384 A385 M389 K390 T393H383-F387 WeakPolarHBondContact O-CB 3.25Å; H383-F387 PolarHBondContact O-N 2.95Å; H383-F387 VanDerWaalsContact O-N 3.08Å; F384-F387 WeakPolarHBondContact O-CB 3.44Å; F384-F387 PolarHBondContact O-N 2.89Å; A385-F387 VanDerWaalsContact C-N 3.31Å; A385-F387 PolarHBondContact O-N 3.08Å; F387-M389 PolarHBondContact O-N 3.39Å; F387-K390 WeakPolarHBondContact O-CB 3.4Å; F387-K390 PolarHBondContact O-N 2.98Å; F387-K390 VanDerWaalsContact O-N 3.09Å; F387-T393 HydrophobicContact CD1-CG2 4.34Å; F387-T393 HydrophobicContact CD2-CG2 3.97Å; F387-T393 HydrophobicContact CE1-CG2 3.95Å; F387-T393 HydrophobicContact CE2-CG2 3.53Å; F387-T393 HydrophobicContact CG-CG2 4.36Å; F387-T393 HydrophobicContact CZ-CG2 3.52Å; F387-T393 WeakPolarHBondContact O-CG2 3.15Å; F387-T393 PolarHBondContact O-OG1 3.45Å
388L92.3Very high91.4Very high5 Ų567 Ų673%0.02632%0.316CS..Hα-helixtrans-59-34.7-179.7-170.565.2000112F384 A385 K390 T393 V397 L709 I758 P761 V762F384-L388 HydrophobicContact CE1-CD2 4.24Å; F384-L388 WeakPolarHBondContact O-CB 3.43Å; F384-L388 PolarHBondContact O-N 3.21Å; A385-L388 PolarHBondContact O-N 3.06Å; L388-K390 VanDerWaalsContact C-N 3.3Å; L388-K390 PolarHBondContact O-N 3.19Å; L388-T393 PolarHBondContact O-OG1 3.01Å; L388-V397 HydrophobicContact CD1-CG2 3.94Å; L388-L709 HydrophobicContact CD2-CD1 4.19Å; L388-I758 HydrophobicContact CD1-CG2 4.15Å; L388-P761 HydrophobicContact CD2-CB 4.01Å; L388-V762 HydrophobicContact CD1-CG2 3.54Å; L388-V762 HydrophobicContact CD2-CG2 4Å; L388-V762 HydrophobicContact CG-CG2 3.54Å
389M91.1Very high92Very high16 Ų1665.6 Ų65.68%0.07932%0.317CS..THydrogen-bonded Turntrans-78.2-3179.9-65.9-59.9114.700115A385 P386 F387 K394 V702 I705 P761 S765A385-M389 WeakPolarHBondContact O-CB 3.35Å; A385-M389 WeakPolarHBondContact O-CG 3.45Å; A385-M389 PolarHBondContact O-N 3.4Å; P386-M389 PolarHBondContact O-N 3.36Å; F387-M389 PolarHBondContact O-N 3.39Å; M389-K394 VanDerWaalsContact O-CE 3.26Å; M389-K394 WeakPolarHBondContact O-CE 3.23Å; M389-V702 HydrophobicContact CB-CG1 4.12Å; M389-V702 HydrophobicContact CB-CG2 4.08Å; M389-V702 HydrophobicContact CG-CB 4.31Å; M389-V702 HydrophobicContact CG-CG1 3.99Å; M389-V702 HydrophobicContact CG-CG2 4.08Å; M389-V702 HydrophobicContact SD-CG2 4.36Å; M389-I705 HydrophobicContact CE-CB 4.44Å; M389-I705 HydrophobicContact CE-CD1 3.6Å; M389-I705 HydrophobicContact CE-CG2 3.84Å; M389-I705 HydrophobicContact SD-CD1 3.58Å; M389-I705 VanDerWaalsContact SD-CD1 3.58Å; M389-P761 HydrophobicContact CE-CB 4.47Å; M389-S765 WeakPolarHBondContact SD-CB 3.41Å
390K91.9Very high92.3Very high120 Ų12065.4 Ų65.452%0.52232%0.32SS..SBendtrans-66144.7173.9-68.6179.4179.2-1790110.7P386 F387 L388 W392 T393 K394P386-K390 PolarHBondContact O-N 2.99Å; F387-K390 WeakPolarHBondContact O-CB 3.4Å; F387-K390 PolarHBondContact O-N 2.98Å; F387-K390 VanDerWaalsContact O-N 3.09Å; L388-K390 VanDerWaalsContact C-N 3.3Å; L388-K390 PolarHBondContact O-N 3.19Å; K390-W392 VanDerWaalsContact C-N 3.32Å; K390-W392 PolarHBondContact O-N 2.95Å; K390-T393 HydrophobicContact CB-CG2 4.24Å; K390-T393 WeakPolarHBondContact CB-OG1 3.13Å; K390-T393 PolarHBondContact N-OG1 3.5Å; K390-T393 PolarHBondContact O-N 3.25Å; K390-T393 PolarHBondContact O-OG1 3.31Å; K390-K394 WeakPolarHBondContact O-CG 3.44Å; K390-K394 PolarHBondContact O-N 2.83Å
391P90.7Very high92.6Very high105 Ų10566.1 Ų66.168%0.68232%0.323SS*.Hα-helixtrans-57-42.2-179.1-26.934.6000113.9K394 L395P391-K394 PolarHBondContact O-N 3.21Å; P391-L395 PolarHBondContact O-N 3.48Å
392W93.7Very high93.1Very high206 Ų20669.7 Ų69.778%0.7835%0.345SS*.Hα-helixtrans-65.6-40.6178.9-7395.2000112.9K390 L395 M396K390-W392 VanDerWaalsContact C-N 3.32Å; K390-W392 PolarHBondContact O-N 2.95Å; W392-L395 PolarHBondContact O-N 2.86Å; W392-M396 WeakPolarHBondContact O-CG 3.37Å; W392-M396 PolarHBondContact O-N 3.46Å
393T93.9Very high93.5Very high18 Ų1871.5 Ų71.511%0.1136%0.355CS..Hα-helixtrans-69.4-38.6177.4530000111F387 L388 K390 L395 M396 V397F387-T393 HydrophobicContact CD1-CG2 4.34Å; F387-T393 HydrophobicContact CD2-CG2 3.97Å; F387-T393 HydrophobicContact CE1-CG2 3.95Å; F387-T393 HydrophobicContact CE2-CG2 3.53Å; F387-T393 HydrophobicContact CG-CG2 4.36Å; F387-T393 HydrophobicContact CZ-CG2 3.52Å; F387-T393 WeakPolarHBondContact O-CG2 3.15Å; F387-T393 PolarHBondContact O-OG1 3.45Å; L388-T393 PolarHBondContact O-OG1 3.01Å; K390-T393 HydrophobicContact CB-CG2 4.24Å; K390-T393 WeakPolarHBondContact CB-OG1 3.13Å; K390-T393 PolarHBondContact N-OG1 3.5Å; K390-T393 PolarHBondContact O-N 3.25Å; K390-T393 PolarHBondContact O-OG1 3.31Å; T393-L395 VanDerWaalsContact C-N 3.34Å; T393-L395 PolarHBondContact O-N 3.43Å; T393-M396 PolarHBondContact O-N 2.94Å; T393-V397 WeakPolarHBondContact O-CG2 3.35Å; T393-V397 PolarHBondContact O-N 2.91Å
394K92.8Very high93.8Very high39 Ų3966.6 Ų66.617%0.1733%0.331CS..Hα-helixtrans-57.8-46.6172.9-68.8-173.3-172.8-166.50111.5M389 K390 P391 M396 V397 V398 V762 S765 I766M389-K394 VanDerWaalsContact O-CE 3.26Å; M389-K394 WeakPolarHBondContact O-CE 3.23Å; K390-K394 WeakPolarHBondContact O-CG 3.44Å; K390-K394 PolarHBondContact O-N 2.83Å; P391-K394 PolarHBondContact O-N 3.21Å; K394-M396 PolarHBondContact O-N 2.97Å; K394-V397 PolarHBondContact O-N 3.35Å; K394-V398 WeakPolarHBondContact O-CG2 3.34Å; K394-V398 PolarHBondContact O-N 3.21Å; K394-V762 HydrophobicContact CB-CG1 4.13Å; K394-V762 HydrophobicContact CG-CG1 4.1Å; K394-S765 WeakPolarHBondContact CE-OG 3.44Å; K394-S765 PolarHBondContact NZ-OG 3.43Å; K394-I766 HydrophobicContact CD-CG1 4.17Å
395L93.8Very high94Very high89 Ų8966.7 Ų66.747%0.46633%0.334SS..Hα-helixtrans-59.6-46176.3-178.464.5000111.4P391 W392 T393 V397 V398 L399P391-L395 PolarHBondContact O-N 3.48Å; W392-L395 PolarHBondContact O-N 2.86Å; T393-L395 VanDerWaalsContact C-N 3.34Å; T393-L395 PolarHBondContact O-N 3.43Å; L395-V397 PolarHBondContact O-N 2.95Å; L395-V398 PolarHBondContact O-N 2.85Å; L395-L399 HydrophobicContact CG-CD1 4.42Å; L395-L399 WeakPolarHBondContact O-CG 3.39Å; L395-L399 PolarHBondContact O-N 3.2Å
396M95.2Very high94.2Very high106 Ų10668.7 Ų68.752%0.52235%0.354SS..Hα-helixtrans-60.8-42.7176.9-70.6-65.3102.800112.6W392 T393 K394 L399 L400W392-M396 WeakPolarHBondContact O-CG 3.37Å; W392-M396 PolarHBondContact O-N 3.46Å; T393-M396 PolarHBondContact O-N 2.94Å; K394-M396 PolarHBondContact O-N 2.97Å; M396-L399 HydrophobicContact CE-CD1 3.67Å; M396-L399 PolarHBondContact O-N 3.26Å; M396-L400 WeakPolarHBondContact O-CB 3.27Å; M396-L400 PolarHBondContact O-N 3.38Å
397V95.5Very high94.5Very high17 Ų1769.5 Ų69.510%0.10336%0.358CS..Hα-helixtrans-65.5-40.2177.3173.20000111.3L388 T393 K394 L395 L400 Y401 I758 F759 V762L388-V397 HydrophobicContact CD1-CG2 3.94Å; T393-V397 WeakPolarHBondContact O-CG2 3.35Å; T393-V397 PolarHBondContact O-N 2.91Å; K394-V397 PolarHBondContact O-N 3.35Å; L395-V397 PolarHBondContact O-N 2.95Å; V397-L400 PolarHBondContact O-N 3.45Å; V397-Y401 WeakPolarHBondContact O-CB 3.37Å; V397-Y401 PolarHBondContact O-N 3.39Å; V397-I758 HydrophobicContact CG1-CG2 3.9Å; V397-I758 HydrophobicContact CG2-CG2 3.84Å; V397-F759 HydrophobicContact CG1-CD1 3.6Å; V397-F759 HydrophobicContact CG1-CE1 4.02Å; V397-V762 HydrophobicContact CB-CG1 4.35Å; V397-V762 HydrophobicContact CB-CG2 4.18Å; V397-V762 HydrophobicContact CG1-CB 4.11Å; V397-V762 HydrophobicContact CG1-CG1 4.22Å; V397-V762 HydrophobicContact CG1-CG2 3.98Å; V397-V762 HydrophobicContact CG2-CG2 4.27Å
398V94Very high94.6Very high51 Ų5164.2 Ų64.231%0.30934%0.335SS..Hα-helixtrans-64.6-41.71761720000111.2K394 L395 Y401 V402 V762 I766K394-V398 WeakPolarHBondContact O-CG2 3.34Å; K394-V398 PolarHBondContact O-N 3.21Å; L395-V398 PolarHBondContact O-N 2.85Å; V398-Y401 WeakPolarHBondContact O-CB 3.29Å; V398-Y401 PolarHBondContact O-N 3.05Å; V398-V402 WeakPolarHBondContact O-CG2 3.34Å; V398-V402 PolarHBondContact O-N 3.4Å; V398-V762 HydrophobicContact CG2-CG1 4.39Å; V398-I766 HydrophobicContact CG2-CD1 3.83Å
399L96.1Very high94.8Very high95 Ų9568.5 Ų68.550%0.49736%0.358SS..Hα-helixtrans-64.2-42.1174.7-68.9177.7000112.1L395 M396 Y401 V402 L403L395-L399 HydrophobicContact CG-CD1 4.42Å; L395-L399 WeakPolarHBondContact O-CG 3.39Å; L395-L399 PolarHBondContact O-N 3.2Å; M396-L399 HydrophobicContact CE-CD1 3.67Å; M396-L399 PolarHBondContact O-N 3.26Å; L399-Y401 VanDerWaalsContact C-N 3.28Å; L399-Y401 PolarHBondContact O-N 2.91Å; L399-V402 PolarHBondContact O-N 3.37Å; L399-L403 WeakPolarHBondContact O-CB 3.41Å; L399-L403 PolarHBondContact O-N 3.36Å
400L96.2Very high95Very high92 Ų9275.7 Ų75.748%0.48239%0.385SS..Hα-helixtrans-60-40.5174-171.487.3000111.1M396 V397 L403 Y404 F759M396-L400 WeakPolarHBondContact O-CB 3.27Å; M396-L400 PolarHBondContact O-N 3.38Å; V397-L400 PolarHBondContact O-N 3.45Å; L400-L403 PolarHBondContact O-N 3.01Å; L400-Y404 VanDerWaalsContact O-CB 3.32Å; L400-Y404 WeakPolarHBondContact O-CB 3.06Å; L400-Y404 PolarHBondContact O-N 2.9Å; L400-F759 HydrophobicContact CB-CE1 4.36Å; L400-F759 HydrophobicContact CD2-CE1 3.8Å; L400-F759 HydrophobicContact CD2-CZ 3.64Å; L400-F759 HydrophobicContact CG-CE1 4.32Å; L400-F759 HydrophobicContact CG-CZ 4.25Å
401Y95.9Very high95.1Very high35 Ų3570 Ų7014%0.13736%0.361CS..Hα-helixtrans-66-42.6177.7-175.5-109.4000112.3V397 V398 L399 Y404 L405 M648 S651 H755 F759V397-Y401 WeakPolarHBondContact O-CB 3.37Å; V397-Y401 PolarHBondContact O-N 3.39Å; V398-Y401 WeakPolarHBondContact O-CB 3.29Å; V398-Y401 PolarHBondContact O-N 3.05Å; L399-Y401 VanDerWaalsContact C-N 3.28Å; L399-Y401 PolarHBondContact O-N 2.91Å; Y401-Y404 HydrophobicContact CD2-CD1 4.4Å; Y401-Y404 HydrophobicContact CE2-CD1 4.46Å; Y401-Y404 WeakPolarHBondContact O-CB 3.38Å; Y401-Y404 PolarHBondContact O-N 3.49Å; Y401-L405 HydrophobicContact CD1-CD1 3.94Å; Y401-L405 HydrophobicContact CD1-CG 4.48Å; Y401-L405 HydrophobicContact CE1-CD1 3.43Å; Y401-L405 VanDerWaalsContact CE1-CD1 3.43Å; Y401-L405 HydrophobicContact CE1-CG 4.11Å; Y401-L405 HydrophobicContact CE2-CG 4.5Å; Y401-L405 WeakPolarHBondContact O-CG 3.22Å; Y401-L405 PolarHBondContact O-N 3.41Å; Y401-M648 HydrophobicContact CE2-CE 4.26Å; Y401-M648 WeakPolarHBondContact OH-CE 3.44Å; Y401-S651 VanDerWaalsContact CE2-OG 3.32Å; Y401-S651 WeakPolarHBondContact CE2-OG 3.43Å; Y401-S651 VanDerWaalsContact OH-CB 3.31Å; Y401-S651 WeakPolarHBondContact OH-CB 3.47Å; Y401-S651 PolarHBondContact OH-OG 3.46Å; Y401-H755 AromaticContact CE2-NE2 3.79Å; Y401-F759 HydrophobicContact CD2-CB 4.34Å; Y401-F759 AromaticContact CD2-CD1 3.72Å; Y401-F759 HydrophobicContact CD2-CD1 3.72Å; Y401-F759 HydrophobicContact CD2-CD2 4.34Å; Y401-F759 HydrophobicContact CD2-CE1 4.03Å; Y401-F759 AromaticContact CD2-CG 3.9Å; Y401-F759 HydrophobicContact CD2-CG 3.9Å; Y401-F759 HydrophobicContact CD2-CZ 4.46Å; Y401-F759 HydrophobicContact CG-CD1 4.13Å; Y401-F759 HydrophobicContact CG-CE1 4.36Å
402V95.8Very high95.1Very high88 Ų8866.7 Ų66.753%0.53334%0.34SS..Hα-helixtrans-64.7-40.9175.1172.70000111.1V398 L399 L405 G406V398-V402 WeakPolarHBondContact O-CG2 3.34Å; V398-V402 PolarHBondContact O-N 3.4Å; L399-V402 PolarHBondContact O-N 3.37Å; V402-L405 PolarHBondContact O-N 2.75Å; V402-G406 PolarHBondContact O-N 2.91Å
403L96.6Very high95Very high113 Ų11364.3 Ų64.359%0.59234%0.342SS*.Hα-helixtrans-63-44.1174.5178.764.9000111.7L399 L400 G406 T407L399-L403 WeakPolarHBondContact O-CB 3.41Å; L399-L403 PolarHBondContact O-N 3.36Å; L400-L403 PolarHBondContact O-N 3.01Å; L403-G406 PolarHBondContact O-N 2.77Å; L403-T407 HydrophobicContact CD1-CG2 4.4Å; L403-T407 WeakPolarHBondContact O-CG2 3.37Å; L403-T407 PolarHBondContact O-N 3.15Å; L403-T407 PolarHBondContact O-OG1 2.89Å
404Y97Very high94.6Very high20 Ų2065.6 Ų65.68%0.07836%0.358CS..Hα-helixtrans-57.4-51.1173.8164.3-93.3000110.8L400 Y401 G406 T407 S408 S651 G655 Y659 V751 H755L400-Y404 VanDerWaalsContact O-CB 3.32Å; L400-Y404 WeakPolarHBondContact O-CB 3.06Å; L400-Y404 PolarHBondContact O-N 2.9Å; Y401-Y404 HydrophobicContact CD2-CD1 4.4Å; Y401-Y404 HydrophobicContact CE2-CD1 4.46Å; Y401-Y404 WeakPolarHBondContact O-CB 3.38Å; Y401-Y404 PolarHBondContact O-N 3.49Å; Y404-G406 VanDerWaalsContact C-N 3.32Å; Y404-G406 PolarHBondContact O-N 3.49Å; Y404-T407 WeakPolarHBondContact CA-OG1 3.37Å; Y404-T407 PolarHBondContact O-N 3.39Å; Y404-T407 PolarHBondContact O-OG1 3.41Å; Y404-S408 WeakPolarHBondContact O-CB 3.32Å; Y404-S408 PolarHBondContact O-N 2.94Å; Y404-S408 PolarHBondContact O-OG 2.67Å; Y404-S651 WeakPolarHBondContact CE1-O 3.48Å; Y404-S651 WeakPolarHBondContact CE1-OG 3.16Å; Y404-S651 PolarHBondContact OH-O 3.49Å; Y404-G655 VanDerWaalsContact OH-CA 3.27Å; Y404-G655 WeakPolarHBondContact OH-CA 3.36Å; Y404-Y659 AromaticContact CD2-CE2 3.87Å; Y404-Y659 HydrophobicContact CD2-CE2 3.87Å; Y404-Y659 HydrophobicContact CE2-CD2 4.47Å; Y404-Y659 AromaticContact CE2-CE2 3.68Å; Y404-Y659 HydrophobicContact CE2-CE2 3.68Å; Y404-V751 HydrophobicContact CE2-CG1 3.98Å; Y404-V751 HydrophobicContact CE2-CG2 4.37Å; Y404-V751 WeakPolarHBondContact OH-CG1 3.45Å; Y404-H755 AromaticContact CE1-CE1 3.65Å; Y404-H755 AromaticContact CE1-NE2 3.71Å; Y404-H755 AromaticContact CZ-CE1 3.55Å
405L96.3Very high94.2Very high46 Ų4665.9 Ų65.924%0.24136%0.361CS..Hα-helixtrans-59.4-41.6177.6-75.4177.3000112.5Y401 V402 S408 L409 S651 L654Y401-L405 HydrophobicContact CD1-CD1 3.94Å; Y401-L405 HydrophobicContact CD1-CG 4.48Å; Y401-L405 HydrophobicContact CE1-CD1 3.43Å; Y401-L405 VanDerWaalsContact CE1-CD1 3.43Å; Y401-L405 HydrophobicContact CE1-CG 4.11Å; Y401-L405 HydrophobicContact CE2-CG 4.5Å; Y401-L405 WeakPolarHBondContact O-CG 3.22Å; Y401-L405 PolarHBondContact O-N 3.41Å; V402-L405 PolarHBondContact O-N 2.75Å; L405-S408 PolarHBondContact O-N 3.48Å; L405-L409 WeakPolarHBondContact O-CB 3.12Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.27Å; L405-L409 PolarHBondContact O-N 3.2Å; L405-S651 WeakPolarHBondContact CD2-OG 3.36Å; L405-L654 HydrophobicContact CD2-CD2 4.12Å
406G96.5Very high93.5Very high42 Ų4269.5 Ų69.543%0.43337%0.369SS..Hα-helixtrans-63.7-42.5177.900000113.1V402 L403 Y404 Y410V402-G406 PolarHBondContact O-N 2.91Å; L403-G406 PolarHBondContact O-N 2.77Å; Y404-G406 VanDerWaalsContact C-N 3.32Å; Y404-G406 PolarHBondContact O-N 3.49Å; G406-Y410 WeakPolarHBondContact O-CB 3.45Å; G406-Y410 PolarHBondContact O-N 2.76Å
407T96.1Very high92.7Very high46 Ų4667.7 Ų67.728%0.28236%0.359SS..Hα-helixtrans-70.3-39177.248.10000112.4L403 Y404 Y410 G411 Y659L403-T407 HydrophobicContact CD1-CG2 4.4Å; L403-T407 WeakPolarHBondContact O-CG2 3.37Å; L403-T407 PolarHBondContact O-N 3.15Å; L403-T407 PolarHBondContact O-OG1 2.89Å; Y404-T407 WeakPolarHBondContact CA-OG1 3.37Å; Y404-T407 PolarHBondContact O-N 3.39Å; Y404-T407 PolarHBondContact O-OG1 3.41Å; T407-Y410 PolarHBondContact O-N 2.93Å; T407-G411 PolarHBondContact O-N 3.37Å; T407-Y659 PolarHBondContact OG1-OH 3.31Å
408S96.1Very high91.6Very high0 Ų067.1 Ų67.10%036%0.357CS..Hα-helixtrans-61.2-48.3173.6-59.90000111.7Y404 L405 Y410 G411 C412 G655 G658Y404-S408 WeakPolarHBondContact O-CB 3.32Å; Y404-S408 PolarHBondContact O-N 2.94Å; Y404-S408 PolarHBondContact O-OG 2.67Å; L405-S408 PolarHBondContact O-N 3.48Å; S408-Y410 PolarHBondContact O-N 3.33Å; S408-G411 PolarHBondContact O-N 3.4Å; S408-C412 PolarHBondContact O-N 3.04Å; S408-C412 PolarHBondContact O-SG 2.93Å; S408-C412 VanDerWaalsContact O-SG 3.33Å; S408-G655 WeakPolarHBondContact OG-CA 3.3Å; S408-G658 WeakPolarHBondContact O-CA 3.41Å
409L95.7Very high90.4Very high95 Ų9564.9 Ų64.950%0.49734%0.343SS..Hα-helixtrans-61.5-42.3176.1-76.4168.4000112.1L405 G411 C412 L413 L654L405-L409 WeakPolarHBondContact O-CB 3.12Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.27Å; L405-L409 PolarHBondContact O-N 3.2Å; L409-G411 VanDerWaalsContact C-N 3.3Å; L409-G411 PolarHBondContact O-N 2.84Å; L409-C412 PolarHBondContact O-N 3.43Å; L409-L413 WeakPolarHBondContact O-CG 3.47Å; L409-L413 PolarHBondContact O-N 2.91Å; L409-L654 HydrophobicContact CD2-CD1 4.11Å; L409-L654 HydrophobicContact CD2-CD2 4.03Å; L409-L654 HydrophobicContact CG-CD2 4.14Å
410Y95.8Very high89.4Confident167 Ų16764.2 Ų64.266%0.65534%0.337SS*.Hα-helixtrans-58.9-42.5174.9175.4-101.6000111.9G406 T407 S408 L413 L662G406-Y410 WeakPolarHBondContact O-CB 3.45Å; G406-Y410 PolarHBondContact O-N 2.76Å; T407-Y410 PolarHBondContact O-N 2.93Å; S408-Y410 PolarHBondContact O-N 3.33Å; Y410-L413 PolarHBondContact O-N 2.91Å; Y410-L662 HydrophobicContact CD1-CD2 4.18Å; Y410-L662 HydrophobicContact CE1-CD2 4.16Å
411G93.4Very high88.3Confident1 Ų160 Ų601%0.0132%0.315CS..Hα-helixtrans-60.4-45.5173.900000112.8T407 S408 L409 L413 G414 G658 T661T407-G411 PolarHBondContact O-N 3.37Å; S408-G411 PolarHBondContact O-N 3.4Å; L409-G411 VanDerWaalsContact C-N 3.3Å; L409-G411 PolarHBondContact O-N 2.84Å; G411-L413 PolarHBondContact O-N 3.05Å; G411-G414 PolarHBondContact O-N 2.67Å; G411-G658 WeakPolarHBondContact CA-O 3.26Å; G411-T661 WeakPolarHBondContact CA-OG1 3.22Å; G411-T661 WeakPolarHBondContact O-CB 3.25Å; G411-T661 PolarHBondContact O-OG1 3.4Å
412C91.4Very high87.5Confident35 Ų3559.2 Ų59.224%0.23631%0.314CS..Hα-helixtrans-60.8-27.7179.5-66.60000113.6S408 L409 G414 L415 L654S408-C412 PolarHBondContact O-N 3.04Å; S408-C412 PolarHBondContact O-SG 2.93Å; S408-C412 VanDerWaalsContact O-SG 3.33Å; L409-C412 PolarHBondContact O-N 3.43Å; C412-G414 PolarHBondContact O-N 2.95Å; C412-L415 WeakPolarHBondContact O-CB 3.32Å; C412-L415 PolarHBondContact O-N 3.33Å; C412-L654 VanDerWaalsContact SG-CD1 3.57Å
413L90.6Very high86.9Confident156 Ų15656.9 Ų56.982%0.81730%0.299SS*.Hα-helixtrans-69.6-21.7174.8-64.1173.9000113.1L409 Y410 G411L409-L413 WeakPolarHBondContact O-CG 3.47Å; L409-L413 PolarHBondContact O-N 2.91Å; Y410-L413 PolarHBondContact O-N 2.91Å; G411-L413 PolarHBondContact O-N 3.05Å
414G85.6Confident86.2Confident44 Ų4453 Ų5345%0.45428%0.278SS..THydrogen-bonded Turntrans-96.521.3178.700000114.1G411 C412 R416G411-G414 PolarHBondContact O-N 2.67Å; C412-G414 PolarHBondContact O-N 2.95Å; G414-R416 PolarHBondContact O-N 2.86Å
415L84.2Confident85.6Confident46 Ų4652.2 Ų52.224%0.24128%0.275CS..  trans-61.9125-176.6-167.767.3000111.6C412 L614 V657 T661 M667C412-L415 WeakPolarHBondContact O-CB 3.32Å; C412-L415 PolarHBondContact O-N 3.33Å; L415-L614 HydrophobicContact CD2-CD1 4.12Å; L415-V657 HydrophobicContact CD1-CG1 4.21Å; L415-T661 HydrophobicContact CB-CG2 4.17Å; L415-T661 HydrophobicContact CD1-CG2 3.43Å; L415-T661 VanDerWaalsContact CD1-CG2 3.43Å; L415-T661 HydrophobicContact CG-CG2 4.4Å; L415-M667 HydrophobicContact CD1-CB 3.94Å; L415-M667 HydrophobicContact CD1-CE 3.85Å; L415-M667 HydrophobicContact CD1-SD 4.32Å; L415-M667 HydrophobicContact CD2-CE 4.01Å; L415-M667 HydrophobicContact CD2-SD 3.87Å; L415-M667 HydrophobicContact CG-CB 4.39Å
416R80.7Confident85Confident165 Ų16550.1 Ų50.162%0.62327%0.265SS*.  trans-104.6125.5171.9-63.4-176.1-177.8-168.40.2108.6G414 P666 M667G414-R416 PolarHBondContact O-N 2.86Å; R416-P666 HydrophobicContact CB-CB 4.46Å; R416-P666 CarbonylContact O-C 3.52Å; R416-P666 WeakPolarHBondContact O-CA 3.45Å; R416-M667 PolarHBondContact O-N 3.35Å
417E78.5Confident84.4Confident68 Ų6851.5 Ų51.532%0.31827%0.268SS..BIsolated β-bridgetrans-96.8147.8179.8-64.6177.9-149.200111.4A575E417-A575 WeakPolarHBondContact O-CB 3.4Å
418G70.4Confident84Confident5 Ų553.6 Ų53.65%0.05228%0.277CS..  trans110142.7165.100000114.6M667G418-M667 PolarHBondContact N-O 3.26Å
419L68.9Low83.7Confident3 Ų353.8 Ų53.82%0.01628%0.279CS..  trans-100.5100.5173.9-175.156.9000109.5N423 L424 Y610 D668 I670 Y736L419-N423 HydrophobicContact CD1-CB 3.85Å; L419-L424 HydrophobicContact CD1-CG 4.47Å; L419-L424 HydrophobicContact CD2-CD1 3.97Å; L419-L424 HydrophobicContact CD2-CD2 3.6Å; L419-L424 HydrophobicContact CD2-CG 3.71Å; L419-L424 HydrophobicContact CG-CD2 4.45Å; L419-L424 HydrophobicContact CG-CG 4.15Å; L419-Y610 HydrophobicContact CB-CE1 4.5Å; L419-Y610 VanDerWaalsContact N-CE1 3.35Å; L419-Y610 VanDerWaalsContact O-CE1 3.31Å; L419-Y610 WeakPolarHBondContact O-CE1 3.39Å; L419-Y610 PolarHBondContact O-OH 3.43Å; L419-Y610 VanDerWaalsContact O-OH 3.1Å; L419-D668 HydrophobicContact CB-CB 3.65Å; L419-D668 HydrophobicContact CD1-CB 3.88Å; L419-D668 HydrophobicContact CD2-CB 4.43Å; L419-D668 HydrophobicContact CG-CB 4.18Å; L419-I670 HydrophobicContact CD1-CD1 4.39Å; L419-I670 HydrophobicContact CD2-CD1 4.46Å; L419-Y736 HydrophobicContact CD1-CE1 4.17Å
420E74.9Confident83.4Confident81 Ų8150.7 Ų50.738%0.37926%0.26SS..  trans-60.7135.1170.3-65.2177.3-169.700109.9V422 N423E420-V422 HydrophobicContact CB-CG1 3.87Å; E420-V422 PolarHBondContact O-N 3.35Å; E420-N423 WeakPolarHBondContact O-CB 3.35Å; E420-N423 PolarHBondContact O-N 3.31Å
421P73.6Confident83.2Confident3 Ų342.8 Ų42.82%0.01923%0.229CC..G310 helixtrans-54-30.1-179.1-28.934.9000113.8N423 L424 Y435 M603 F606P421-N423 PolarHBondContact O-N 2.87Å; P421-L424 PolarHBondContact O-N 2.89Å; P421-Y435 HydrophobicContact CB-CD1 4.36Å; P421-Y435 HydrophobicContact CB-CE1 3.86Å; P421-Y435 HydrophobicContact CG-CE1 4.47Å; P421-M603 HydrophobicContact CG-CE 4.26Å; P421-F606 HydrophobicContact CG-CD1 4.19Å; P421-F606 HydrophobicContact CG-CE1 4.17Å; P421-F606 HydrophobicContact CG-CZ 4.48Å
422V80.4Confident83.1Confident20 Ų2043.4 Ų43.412%0.12123%0.232CC..G310 helixtrans-60.8-27.717772.40000113.2E420 L424 L425 I432 Y435E420-V422 HydrophobicContact CB-CG1 3.87Å; E420-V422 PolarHBondContact O-N 3.35Å; V422-L424 VanDerWaalsContact C-N 3.33Å; V422-L425 PolarHBondContact O-N 3.47Å; V422-I432 HydrophobicContact CG2-CB 4.21Å; V422-I432 HydrophobicContact CG2-CG1 3.96Å; V422-I432 HydrophobicContact CG2-CG2 3.96Å; V422-Y435 HydrophobicContact CB-CG 4.44Å
423N83.2Confident83.1Confident39 Ų3943.6 Ų43.621%0.20923%0.233CC..G310 helixtrans-80.5-14.1-177.6-69.6-23.2000112.8L419 E420 P421 L425 Y736L419-N423 HydrophobicContact CD1-CB 3.85Å; E420-N423 WeakPolarHBondContact O-CB 3.35Å; E420-N423 PolarHBondContact O-N 3.31Å; P421-N423 PolarHBondContact O-N 2.87Å; N423-L425 VanDerWaalsContact C-N 3.33Å; N423-Y736 HydrophobicContact CB-CD1 3.57Å; N423-Y736 HydrophobicContact CB-CD2 4.44Å; N423-Y736 HydrophobicContact CB-CE1 3.88Å; N423-Y736 HydrophobicContact CB-CG 3.88Å; N423-Y736 WeakPolarHBondContact O-CB 3.21Å; N423-Y736 WeakPolarHBondContact O-CD1 3.46Å
424L80.2Confident83.2Confident30 Ų3037.4 Ų37.416%0.15720%0.2CC..G310 helixtrans-77.8-21.2172.8-74.7171.3000113L120 N127 L419 P421 V422 I670L120-L424 HydrophobicContact CD1-CB 4.43Å; N127-L424 PolarHBondContact ND2-O 2.84Å; L419-L424 HydrophobicContact CD1-CG 4.47Å; L419-L424 HydrophobicContact CD2-CD1 3.97Å; L419-L424 HydrophobicContact CD2-CD2 3.6Å; L419-L424 HydrophobicContact CD2-CG 3.71Å; L419-L424 HydrophobicContact CG-CD2 4.45Å; L419-L424 HydrophobicContact CG-CG 4.15Å; P421-L424 PolarHBondContact O-N 2.89Å; V422-L424 VanDerWaalsContact C-N 3.33Å; L424-I670 HydrophobicContact CD2-CD1 4.16Å
425L84.5Confident83.4Confident4 Ų436.5 Ų36.52%0.02118%0.183CC..SBendtrans-81.4150.9-174-56.1173.9000111.9L120 E123 V422 N423 A431 I432 Y435L120-L425 HydrophobicContact CD1-CD2 3.84Å; E123-L425 HydrophobicContact CB-CD2 3.67Å; E123-L425 HydrophobicContact CG-CD2 4.46Å; V422-L425 PolarHBondContact O-N 3.47Å; N423-L425 VanDerWaalsContact C-N 3.33Å; L425-A431 HydrophobicContact CD1-CB 3.8Å; L425-I432 HydrophobicContact CB-CD1 4.38Å; L425-I432 HydrophobicContact CB-CG1 4.08Å; L425-I432 HydrophobicContact CD1-CG1 3.91Å; L425-Y435 HydrophobicContact CD1-CD2 3.76Å; L425-Y435 HydrophobicContact CD1-CE2 3.86Å
426V85.1Confident83.7Confident3 Ų342.3 Ų42.32%0.01820%0.202CC..BIsolated β-bridgetrans-67.4147.5169-165.30000109.8K126 N127 Y130 D428 S429 I432 N734K126-V426 HydrophobicContact CB-CG2 3.93Å; N127-V426 WeakPolarHBondContact OD1-CG2 3.32Å; Y130-V426 HydrophobicContact CD2-CG1 3.93Å; Y130-V426 HydrophobicContact CD2-CG2 4.18Å; Y130-V426 HydrophobicContact CE2-CB 4.37Å; Y130-V426 HydrophobicContact CE2-CG1 3.65Å; Y130-V426 HydrophobicContact CE2-CG2 4.16Å; V426-D428 WeakPolarHBondContact CB-OD1 3.48Å; V426-D428 WeakPolarHBondContact CG1-OD1 3.27Å; V426-D428 PolarHBondContact O-N 3.48Å; V426-D428 VanDerWaalsContact O-N 3.12Å; V426-S429 WeakPolarHBondContact O-CB 3.3Å; V426-S429 PolarHBondContact O-N 3.02Å; V426-I432 WeakPolarHBondContact O-CD1 3.33Å; V426-N734 WeakPolarHBondContact CG1-O 3.12Å
427S84.2Confident84.2Confident71 Ų7135.9 Ų35.950%0.49718%0.179SC..THydrogen-bonded Turntrans-57.2-26.3-176.459.90000116.1S429 N734S427-S429 VanDerWaalsContact C-N 3.3Å; S427-N734 WeakPolarHBondContact CB-O 3.36Å; S427-N734 PolarHBondContact N-O 3.35Å; S427-N734 WeakPolarHBondContact OG-CB 3.22Å; S427-N734 PolarHBondContact OG-O 3.36Å
428D86.6Confident84.7Confident89 Ų8933.2 Ų33.248%0.47617%0.167SC..THydrogen-bonded Turntrans-88.94.3176.867-33.8000113Y130 V426 Y430Y130-D428 PolarHBondContact OH-OD2 3.24Å; V426-D428 WeakPolarHBondContact CB-OD1 3.48Å; V426-D428 WeakPolarHBondContact CG1-OD1 3.27Å; V426-D428 PolarHBondContact O-N 3.48Å; V426-D428 VanDerWaalsContact O-N 3.12Å; D428-Y430 PolarHBondContact O-N 2.95Å
429S89.5Confident85.5Confident5 Ų533.8 Ų33.84%0.03517%0.173CC..  trans-64.1130.2-179.7-174.40000112E123 V426 S427 A431 I432E123-S429 VanDerWaalsContact CG-OG 3.3Å; E123-S429 WeakPolarHBondContact CG-OG 3.28Å; E123-S429 WeakPolarHBondContact OE2-CA 3.49Å; E123-S429 WeakPolarHBondContact OE2-CB 3.32Å; E123-S429 PolarHBondContact OE2-OG 2.91Å; V426-S429 WeakPolarHBondContact O-CB 3.3Å; V426-S429 PolarHBondContact O-N 3.02Å; S427-S429 VanDerWaalsContact C-N 3.3Å; S429-A431 PolarHBondContact O-N 2.95Å; S429-A431 PolarHBondContact OG-N 3Å; S429-I432 PolarHBondContact O-N 3.3Å
430Y89.9Confident86.5Confident30 Ų3039.2 Ų39.212%0.11820%0.196CC..THydrogen-bonded Turntrans-66.1-17.3176.368.9-96.6000112.9E99 F114 H116 T119 E123 D428 P433E99-Y430 HydrophobicContact CG-CE1 4.47Å; E99-Y430 VanDerWaalsContact OE2-CZ 3.31Å; E99-Y430 PolarHBondContact OE2-OH 3.06Å; F114-Y430 HydrophobicContact CD2-CD2 4Å; F114-Y430 AromaticContact CD2-CE2 3.73Å; F114-Y430 HydrophobicContact CD2-CE2 3.73Å; F114-Y430 HydrophobicContact CE1-CD2 4.2Å; F114-Y430 AromaticContact CE2-CD2 3.31Å; F114-Y430 HydrophobicContact CE2-CD2 3.31Å; F114-Y430 AromaticContact CE2-CE2 3.15Å; F114-Y430 HydrophobicContact CE2-CE2 3.15Å; F114-Y430 HydrophobicContact CE2-CG 4.21Å; F114-Y430 AromaticContact CE2-CZ 3.88Å; F114-Y430 AromaticContact CZ-CD2 3.4Å; F114-Y430 HydrophobicContact CZ-CD2 3.4Å; F114-Y430 VanDerWaalsContact CZ-CD2 3.4Å; F114-Y430 AromaticContact CZ-CE2 3.77Å; F114-Y430 HydrophobicContact CZ-CE2 3.77Å; F114-Y430 AromaticContact CZ-CG 3.97Å; F114-Y430 HydrophobicContact CZ-CG 3.97Å; H116-Y430 PolarHBondContact CD2-OH 3.28Å; H116-Y430 VanDerWaalsContact CD2-OH 3.27Å; H116-Y430 PolarHBondContact NE2-OH 3.42Å; T119-Y430 HydrophobicContact CG2-CE1 4.49Å; T119-Y430 HydrophobicContact CG2-CE2 3.78Å; T119-Y430 WeakPolarHBondContact CG2-OH 3.4Å; T119-Y430 PolarHBondContact OG1-OH 3.4Å; E123-Y430 HydrophobicContact CG-CE1 4.27Å; E123-Y430 VanDerWaalsContact OE1-CD1 3.27Å; E123-Y430 WeakPolarHBondContact OE1-CD1 3.3Å; E123-Y430 WeakPolarHBondContact OE1-CE1 3.42Å; D428-Y430 PolarHBondContact O-N 2.95Å; Y430-P433 WeakPolarHBondContact O-CD 3.46Å
431A90.5Very high87.2Confident0 Ų037.6 Ų37.60%019%0.187CC..Hα-helixtrans-82.5-18-178.300000113T119 L425 S429 F434 Y435T119-A431 HydrophobicContact CG2-CB 3.45Å; T119-A431 VanDerWaalsContact CG2-CB 3.45Å; L425-A431 HydrophobicContact CD1-CB 3.8Å; S429-A431 PolarHBondContact O-N 2.95Å; S429-A431 PolarHBondContact OG-N 3Å; A431-F434 WeakPolarHBondContact O-CB 3.45Å; A431-F434 PolarHBondContact O-N 3.42Å; A431-F434 VanDerWaalsContact O-N 3.13Å; A431-Y435 HydrophobicContact CB-CD2 4.45Å; A431-Y435 HydrophobicContact CB-CE2 4.39Å; A431-Y435 WeakPolarHBondContact O-CD2 3.5Å; A431-Y435 PolarHBondContact O-N 3.33Å
432I91.3Very high88Confident14 Ų1438.2 Ų38.27%0.07219%0.19CC..Hα-helixtrans-58.4-50.4177.6-71.6168.4000111.8V422 L425 V426 S429 F434 Y435 R436V422-I432 HydrophobicContact CG2-CB 4.21Å; V422-I432 HydrophobicContact CG2-CG1 3.96Å; V422-I432 HydrophobicContact CG2-CG2 3.96Å; L425-I432 HydrophobicContact CB-CD1 4.38Å; L425-I432 HydrophobicContact CB-CG1 4.08Å; L425-I432 HydrophobicContact CD1-CG1 3.91Å; V426-I432 WeakPolarHBondContact O-CD1 3.33Å; S429-I432 PolarHBondContact O-N 3.3Å; I432-F434 VanDerWaalsContact C-N 3.25Å; I432-F434 PolarHBondContact O-N 2.94Å; I432-Y435 PolarHBondContact O-N 3.4Å; I432-R436 HydrophobicContact CG2-CG 4.39Å; I432-R436 WeakPolarHBondContact O-CG 3.49Å; I432-R436 PolarHBondContact O-N 3.49Å
433P91.6Very high88.3Confident40 Ų4038 Ų3826%0.2619%0.187SC..Hα-helixtrans-51.8-43.6172.8-29.534.6000113.2Y430 R436 D437Y430-P433 WeakPolarHBondContact O-CD 3.46Å; P433-R436 PolarHBondContact O-N 2.94Å; P433-D437 WeakPolarHBondContact O-CB 3.26Å; P433-D437 PolarHBondContact O-N 2.96Å
434F92.4Very high88.4Confident26 Ų2641.5 Ų41.511%0.11420%0.202CC..Hα-helixtrans-61.8-49.3-179.7176.8-92.5000111.8F75 F115 A431 I432 R436 D437 L438F75-F434 AromaticContact CE2-CE2 3.86Å; F75-F434 HydrophobicContact CE2-CE2 3.86Å; F75-F434 AromaticContact CE2-CZ 3.73Å; F75-F434 HydrophobicContact CE2-CZ 3.73Å; F75-F434 HydrophobicContact CZ-CZ 4.27Å; F115-F434 HydrophobicContact CB-CD1 3.43Å; F115-F434 VanDerWaalsContact CB-CD1 3.43Å; F115-F434 HydrophobicContact CB-CD2 4.22Å; F115-F434 HydrophobicContact CB-CE1 3.37Å; F115-F434 HydrophobicContact CB-CE2 4.15Å; F115-F434 HydrophobicContact CB-CG 3.86Å; F115-F434 HydrophobicContact CB-CZ 3.74Å; F115-F434 HydrophobicContact CD1-CE1 4.47Å; F115-F434 HydrophobicContact CG-CD1 4.21Å; F115-F434 AromaticContact CG-CE1 3.97Å; F115-F434 HydrophobicContact CG-CE1 3.97Å; A431-F434 WeakPolarHBondContact O-CB 3.45Å; A431-F434 PolarHBondContact O-N 3.42Å; A431-F434 VanDerWaalsContact O-N 3.13Å; I432-F434 VanDerWaalsContact C-N 3.25Å; I432-F434 PolarHBondContact O-N 2.94Å; F434-R436 VanDerWaalsContact C-N 3.34Å; F434-R436 PolarHBondContact O-N 3.3Å; F434-D437 PolarHBondContact O-N 2.8Å; F434-L438 HydrophobicContact CE1-CD2 4.32Å; F434-L438 VanDerWaalsContact O-CB 3.28Å; F434-L438 WeakPolarHBondContact O-CB 3.46Å; F434-L438 PolarHBondContact O-N 2.84Å
435Y89.9Confident88.6Confident25 Ų2542.9 Ų42.910%0.09821%0.211CC..Hα-helixtrans-63.3-38.8177.7-79.2-68.6000112.8F115 P421 V422 L425 A431 I432 L438 G439F115-Y435 HydrophobicContact CD2-CE2 4.21Å; F115-Y435 HydrophobicContact CE2-CE2 4.32Å; F115-Y435 WeakPolarHBondContact CE2-OH 3.42Å; P421-Y435 HydrophobicContact CB-CD1 4.36Å; P421-Y435 HydrophobicContact CB-CE1 3.86Å; P421-Y435 HydrophobicContact CG-CE1 4.47Å; V422-Y435 HydrophobicContact CB-CG 4.44Å; L425-Y435 HydrophobicContact CD1-CD2 3.76Å; L425-Y435 HydrophobicContact CD1-CE2 3.86Å; A431-Y435 HydrophobicContact CB-CD2 4.45Å; A431-Y435 HydrophobicContact CB-CE2 4.39Å; A431-Y435 WeakPolarHBondContact O-CD2 3.5Å; A431-Y435 PolarHBondContact O-N 3.33Å; I432-Y435 PolarHBondContact O-N 3.4Å; Y435-L438 PolarHBondContact O-N 3.2Å; Y435-G439 PolarHBondContact O-N 3.11Å
436R90.6Very high88.5Confident168 Ų16842.7 Ų42.763%0.63421%0.21SC*.Hα-helixtrans-65.9-42.9176.7-72.9179.3179168.32.8112.1I432 P433 F434 L438 K440I432-R436 HydrophobicContact CG2-CG 4.39Å; I432-R436 WeakPolarHBondContact O-CG 3.49Å; I432-R436 PolarHBondContact O-N 3.49Å; P433-R436 PolarHBondContact O-N 2.94Å; F434-R436 VanDerWaalsContact C-N 3.34Å; F434-R436 PolarHBondContact O-N 3.3Å; R436-L438 VanDerWaalsContact C-N 3.33Å; R436-K440 WeakPolarHBondContact O-CB 3.3Å; R436-K440 PolarHBondContact O-N 2.63Å
437D91.3Very high88.6Confident29 Ų2942.7 Ų42.716%0.15521%0.21CC..Hα-helixtrans-69-36.2178-68.7-24.8000110.4R111 P433 F434 Y441R111-D437 IonicContact NH2-OD2 2.71Å; P433-D437 WeakPolarHBondContact O-CB 3.26Å; P433-D437 PolarHBondContact O-N 2.96Å; F434-D437 PolarHBondContact O-N 2.8Å; D437-Y441 HydrophobicContact CB-CD2 3.98Å; D437-Y441 HydrophobicContact CB-CE2 4.23Å; D437-Y441 VanDerWaalsContact O-CB 3.31Å; D437-Y441 WeakPolarHBondContact O-CB 3.4Å; D437-Y441 VanDerWaalsContact O-CD2 3.25Å; D437-Y441 WeakPolarHBondContact O-CD2 3.35Å; D437-Y441 PolarHBondContact O-N 3.41Å
438L89.7Confident89Confident13 Ų1340 Ų407%0.06819%0.19CC..Hα-helixtrans-62.1-51.1173.4-170.669.2000111.8F75 F434 Y435 R436 K440 F442 W443F75-L438 HydrophobicContact CD2-CD1 4.48Å; F75-L438 HydrophobicContact CE2-CD1 4.01Å; F434-L438 HydrophobicContact CE1-CD2 4.32Å; F434-L438 VanDerWaalsContact O-CB 3.28Å; F434-L438 WeakPolarHBondContact O-CB 3.46Å; F434-L438 PolarHBondContact O-N 2.84Å; Y435-L438 PolarHBondContact O-N 3.2Å; R436-L438 VanDerWaalsContact C-N 3.33Å; L438-K440 PolarHBondContact O-N 3.36Å; L438-F442 HydrophobicContact CD1-CB 4.01Å; L438-F442 HydrophobicContact CD1-CD2 4.16Å; L438-F442 HydrophobicContact CD1-CG 4.28Å; L438-F442 WeakPolarHBondContact O-CA 3.32Å; L438-F442 WeakPolarHBondContact O-CB 3.31Å; L438-F442 PolarHBondContact O-N 3.36Å; L438-W443 HydrophobicContact CD2-CZ2 3.56Å; L438-W443 HydrophobicContact CG-CZ2 4.12Å; L438-W443 PolarHBondContact O-N 3.39Å
439G87.8Confident89.4Confident16 Ų1635.8 Ų35.817%0.16517%0.167CC..Hα-helixtrans-60.1-44.7177.500000112.8Y435Y435-G439 PolarHBondContact O-N 3.11Å
440K88.5Confident89.7Confident117 Ų11737.9 Ų37.951%0.50918%0.176SC..Hα-helixtrans-74.5-38.1-176-176178.7-179.6-176.30114.3R436 L438R436-K440 WeakPolarHBondContact O-CB 3.3Å; R436-K440 PolarHBondContact O-N 2.63Å; L438-K440 PolarHBondContact O-N 3.36Å
441Y90.1Very high90.1Very high48 Ų4836.4 Ų36.419%0.18817%0.171CC..Hα-helixtrans-105.6-22.2-170.1-62.4-60.9000114.2G57 G58 K72 A73 D437G57-Y441 CarbonylContact C-O 3.6Å; G57-Y441 WeakPolarHBondContact CA-O 3.47Å; G58-Y441 PolarHBondContact N-O 2.98Å; K72-Y441 HydrophobicContact CB-CD1 4.09Å; K72-Y441 HydrophobicContact CB-CE1 3.74Å; K72-Y441 HydrophobicContact CD-CD1 4.47Å; K72-Y441 HydrophobicContact CD-CE1 3.75Å; K72-Y441 HydrophobicContact CG-CE1 4.39Å; A73-Y441 HydrophobicContact CB-CD2 3.97Å; A73-Y441 HydrophobicContact CB-CG 3.95Å; D437-Y441 HydrophobicContact CB-CD2 3.98Å; D437-Y441 HydrophobicContact CB-CE2 4.23Å; D437-Y441 VanDerWaalsContact O-CB 3.31Å; D437-Y441 WeakPolarHBondContact O-CB 3.4Å; D437-Y441 VanDerWaalsContact O-CD2 3.25Å; D437-Y441 WeakPolarHBondContact O-CD2 3.35Å; D437-Y441 PolarHBondContact O-N 3.41Å
442F89.9Confident90.4Very high16 Ų1637.9 Ų37.97%0.0718%0.18CC..THydrogen-bonded Turntrans-122.6-32.5-172.2-63.5-84.4000114A73 F75 L438 V447A73-F442 HydrophobicContact CB-CE2 3.89Å; A73-F442 HydrophobicContact CB-CZ 3.98Å; F75-F442 HydrophobicContact CB-CD1 4.49Å; F75-F442 HydrophobicContact CB-CE1 3.68Å; F75-F442 HydrophobicContact CB-CE2 4.35Å; F75-F442 HydrophobicContact CB-CZ 3.6Å; F75-F442 HydrophobicContact CD2-CE2 4.44Å; F75-F442 HydrophobicContact CD2-CZ 4.49Å; F75-F442 HydrophobicContact CG-CZ 4.46Å; L438-F442 HydrophobicContact CD1-CB 4.01Å; L438-F442 HydrophobicContact CD1-CD2 4.16Å; L438-F442 HydrophobicContact CD1-CG 4.28Å; L438-F442 WeakPolarHBondContact O-CA 3.32Å; L438-F442 WeakPolarHBondContact O-CB 3.31Å; L438-F442 PolarHBondContact O-N 3.36Å; F442-V447 VanDerWaalsContact O-CG2 3.26Å; F442-V447 WeakPolarHBondContact O-CG2 3.27Å
443W87.5Confident90.7Very high16 Ų1637.2 Ų37.26%0.06118%0.176CC..SBendtrans-77.8-19.5-178.7-68.1-10.1000114.6L438 F572 Y602 M603L438-W443 HydrophobicContact CD2-CZ2 3.56Å; L438-W443 HydrophobicContact CG-CZ2 4.12Å; L438-W443 PolarHBondContact O-N 3.39Å; W443-F572 CarbonylContact O-C 3.58Å; W443-F572 WeakPolarHBondContact O-CA 3.3Å; W443-F572 WeakPolarHBondContact O-CB 3.33Å; W443-F572 PolarHBondContact O-N 3.23Å; W443-Y602 PolarHBondContact NE1-OH 2.94Å; W443-M603 HydrophobicContact CH2-CE 3.82Å; W443-M603 HydrophobicContact CH2-SD 4.47Å; W443-M603 HydrophobicContact CZ2-CE 3.94Å; W443-M603 HydrophobicContact CZ2-CG 4.5Å; W443-M603 HydrophobicContact CZ2-SD 4.04Å
444E84.5Confident90.9Very high112 Ų11237.9 Ų37.952%0.52318%0.178SC..SBendtrans-67.7-45.5175-66.6-176.4174.700111.6K570 D571 A573E444-K570 WeakPolarHBondContact O-CA 3.38Å; E444-D571 PolarHBondContact O-N 3.08Å; E444-A573 HydrophobicContact CG-CB 4.44Å
445V84.6Confident91.1Very high59 Ų5944.8 Ų44.836%0.35820%0.203SC..EExtended strand (participates in β ladder)trans-151.4127.6-176.2-1770000110.1Y40 M482Y40-V445 HydrophobicContact CE1-CG1 4.02Å; Y40-V445 PolarHBondContact OH-O 2.73Å; Y40-V445 VanDerWaalsContact OH-O 3.06Å; V445-M482 HydrophobicContact CG1-CE 3.36Å; V445-M482 HydrophobicContact CG1-SD 4.15Å
446G82.1Confident91.3Very high0 Ų043.7 Ų43.70%020%0.199CC..EExtended strand (participates in β ladder)trans113.60.9169.400000115.5Y51 G53 I569Y51-G446 WeakPolarHBondContact CE1-O 3.31Å; Y51-G446 VanDerWaalsContact OH-CA 3.32Å; Y51-G446 WeakPolarHBondContact OH-CA 3.05Å; Y51-G446 PolarHBondContact OH-O 3.42Å; G53-G446 CarbonylContact C-O 3.58Å; G446-I569 PolarHBondContact N-O 2.9Å
447V89.1Confident91.3Very high3 Ų337.9 Ų37.92%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-65.4143170.6-178.50000109.2F442 G568 I569 F572 H601F442-V447 VanDerWaalsContact O-CG2 3.26Å; F442-V447 WeakPolarHBondContact O-CG2 3.27Å; V447-G568 CarbonylContact O-C 3.59Å; V447-G568 WeakPolarHBondContact O-CA 3.17Å; V447-I569 HydrophobicContact CB-CD1 4.13Å; V447-I569 HydrophobicContact CB-CG1 3.78Å; V447-I569 HydrophobicContact CG1-CD1 4.05Å; V447-I569 HydrophobicContact CG1-CG1 4.12Å; V447-I569 VanDerWaalsContact O-CG1 3.31Å; V447-I569 WeakPolarHBondContact O-CG1 3.24Å; V447-I569 PolarHBondContact O-N 3.48Å; V447-F572 HydrophobicContact CG1-CD1 4.35Å; V447-F572 HydrophobicContact CG2-CD1 4.32Å; V447-H601 WeakPolarHBondContact CG1-NE2 3.35Å
448Q92.2Very high91.3Very high14 Ų1439.1 Ų39.17%0.06520%0.198CC..EExtended strand (participates in β ladder)trans-115.4130.4177.2-66.6-177.9-48.100111.8Y51 L54 E488 M566 V567 H601Y51-Q448 HydrophobicContact CD1-CG 3.96Å; Y51-Q448 HydrophobicContact CE1-CG 3.36Å; Y51-Q448 HydrophobicContact CE2-CG 4.45Å; Y51-Q448 VanDerWaalsContact CG-NE2 3.26Å; L54-Q448 HydrophobicContact CD1-CB 4.3Å; L54-Q448 HydrophobicContact CD1-CG 4.18Å; L54-Q448 HydrophobicContact CG-CG 4.26Å; Q448-E488 PolarHBondContact NE2-OE2 3.27Å; Q448-M566 HydrophobicContact CB-CB 4.24Å; Q448-M566 HydrophobicContact CB-CE 3.67Å; Q448-M566 HydrophobicContact CG-CB 4.45Å; Q448-V567 CarbonylContact C-O 3.56Å; Q448-V567 WeakPolarHBondContact CA-O 3.3Å; Q448-H601 PolarHBondContact O-CD2 2.8Å; Q448-H601 VanDerWaalsContact O-CD2 3.25Å
449V94.9Very high91.5Very high0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-95.2134.5171.4-179.30000109.1M566 V567 I569 F585 H601 W604V449-M566 WeakPolarHBondContact O-CA 3.47Å; V449-V567 PolarHBondContact N-O 3.39Å; V449-V567 PolarHBondContact O-N 2.9Å; V449-I569 HydrophobicContact CG2-CD1 3.73Å; V449-I569 HydrophobicContact CG2-CG1 4.17Å; V449-I569 HydrophobicContact CG2-CG2 3.84Å; V449-F585 HydrophobicContact CB-CD1 4.33Å; V449-F585 HydrophobicContact CB-CE1 3.85Å; V449-F585 HydrophobicContact CB-CZ 4.33Å; V449-F585 HydrophobicContact CG1-CD1 3.81Å; V449-F585 HydrophobicContact CG1-CE1 3.83Å; V449-F585 HydrophobicContact CG2-CE1 4.3Å; V449-F585 HydrophobicContact CG2-CZ 4.36Å; V449-H601 HydrophobicContact CG2-CB 4.48Å; V449-W604 HydrophobicContact CG1-CZ2 4.46Å; V449-W604 HydrophobicContact CG2-CH2 4.41Å
450Q95.8Very high91.7Very high49 Ų4938.7 Ų38.723%0.22919%0.194CC..EExtended strand (participates in β ladder)trans-79.5125.2173.1-56.9-176.227.400108.8R564 M566 T599 F600Q450-R564 HydrophobicContact CB-CG 4.32Å; Q450-R564 VanDerWaalsContact CD-NH1 3.25Å; Q450-M566 HydrophobicContact CB-SD 4.35Å; Q450-M566 HydrophobicContact CG-CE 3.71Å; Q450-M566 HydrophobicContact CG-SD 3.64Å; Q450-T599 CarbonylContact O-C 3.59Å; Q450-T599 VanDerWaalsContact O-CA 3.29Å; Q450-T599 WeakPolarHBondContact O-CA 3.21Å; Q450-F600 HydrophobicContact CB-CB 4.31Å; Q450-F600 VanDerWaalsContact CB-O 3.32Å; Q450-F600 WeakPolarHBondContact CB-O 3.35Å; Q450-F600 PolarHBondContact N-O 3.45Å; Q450-F600 PolarHBondContact O-N 3.18Å
451V97Very high91.9Very high0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-117.7120.7173-1770000107.7F453 F475 R564 L565 V567 F585 I597 T599V451-F453 HydrophobicContact CG1-CD2 4.49Å; V451-F453 HydrophobicContact CG1-CE2 4.05Å; V451-F475 HydrophobicContact CG1-CD2 4.36Å; V451-F475 HydrophobicContact CG1-CE2 4.07Å; V451-F475 HydrophobicContact CG1-CZ 4.23Å; V451-F475 HydrophobicContact CG2-CD1 4.47Å; V451-R564 CarbonylContact O-C 3.54Å; V451-R564 WeakPolarHBondContact O-CA 3.31Å; V451-L565 HydrophobicContact CB-CD1 4.43Å; V451-L565 HydrophobicContact CB-CD2 4Å; V451-L565 HydrophobicContact CB-CG 3.99Å; V451-L565 HydrophobicContact CG1-CD2 4.19Å; V451-L565 PolarHBondContact N-O 2.96Å; V451-L565 WeakPolarHBondContact O-CD2 3.28Å; V451-L565 PolarHBondContact O-N 3.31Å; V451-V567 HydrophobicContact CG2-CG2 3.83Å; V451-F585 HydrophobicContact CG2-CD1 4.24Å; V451-F585 HydrophobicContact CG2-CE1 4.06Å; V451-I597 HydrophobicContact CG1-CG2 3.55Å; V451-T599 HydrophobicContact CG1-CG2 4.43Å; V451-T599 HydrophobicContact CG2-CG2 4.22Å
452T97.1Very high92.1Very high31 Ų3135.3 Ų35.319%0.1919%0.188CC..EExtended strand (participates in β ladder)trans-114.6126.5-175.2-53.70000110F563 I597 T598T452-F563 CarbonylContact C-O 3.59Å; T452-F563 WeakPolarHBondContact CA-O 3.45Å; T452-F563 WeakPolarHBondContact CG2-O 3.49Å; T452-I597 CarbonylContact O-C 3.28Å; T452-I597 VanDerWaalsContact O-CA 3.31Å; T452-I597 WeakPolarHBondContact O-CA 3.31Å; T452-T598 PolarHBondContact N-O 2.85Å; T452-T598 PolarHBondContact O-N 3.25Å
453F97.6Very high92.2Very high0 Ų036.6 Ų36.60%020%0.201CC..EExtended strand (participates in β ladder)trans-95.1101.1172.1-75.6-110.2000107.9V451 R455 P456 I468 V471 V472 A562 F563 L565 Y595 I597V451-F453 HydrophobicContact CG1-CD2 4.49Å; V451-F453 HydrophobicContact CG1-CE2 4.05Å; F453-R455 VanDerWaalsContact C-N 3.33Å; F453-P456 HydrophobicContact CB-CB 4.3Å; F453-I468 HydrophobicContact CE1-CG1 4.42Å; F453-I468 HydrophobicContact CE1-CG2 4.26Å; F453-I468 HydrophobicContact CZ-CG2 4.38Å; F453-V471 HydrophobicContact CE1-CG1 4.17Å; F453-V471 HydrophobicContact CZ-CB 4.3Å; F453-V471 HydrophobicContact CZ-CG1 3.79Å; F453-V472 HydrophobicContact CE2-CG2 4.2Å; F453-V472 HydrophobicContact CZ-CG2 4.13Å; F453-A562 VanDerWaalsContact O-CA 3.23Å; F453-A562 WeakPolarHBondContact O-CA 3.44Å; F453-F563 HydrophobicContact CB-CD1 4.06Å; F453-F563 HydrophobicContact CB-CD2 4.39Å; F453-F563 HydrophobicContact CB-CE1 3.69Å; F453-F563 HydrophobicContact CB-CE2 4.01Å; F453-F563 HydrophobicContact CB-CG 4.4Å; F453-F563 HydrophobicContact CB-CZ 3.63Å; F453-F563 HydrophobicContact CD1-CE1 4.47Å; F453-F563 AromaticContact CD1-CZ 4Å; F453-F563 HydrophobicContact CD1-CZ 4Å; F453-F563 HydrophobicContact CD2-CD2 4.38Å; F453-F563 HydrophobicContact CD2-CE1 4.49Å; F453-F563 AromaticContact CD2-CE2 3.52Å; F453-F563 HydrophobicContact CD2-CE2 3.52Å; F453-F563 AromaticContact CD2-CZ 3.57Å; F453-F563 HydrophobicContact CD2-CZ 3.57Å; F453-F563 HydrophobicContact CE2-CE2 4.19Å; F453-F563 HydrophobicContact CE2-CZ 4.23Å; F453-F563 AromaticContact CG-CE1 3.99Å; F453-F563 HydrophobicContact CG-CE1 3.99Å; F453-F563 AromaticContact CG-CE2 3.85Å; F453-F563 HydrophobicContact CG-CE2 3.85Å; F453-F563 AromaticContact CG-CZ 3.45Å; F453-F563 HydrophobicContact CG-CZ 3.45Å; F453-F563 VanDerWaalsContact CG-CZ 3.45Å; F453-F563 PolarHBondContact N-O 2.95Å; F453-F563 PolarHBondContact O-N 2.92Å; F453-F563 VanDerWaalsContact O-N 3.08Å; F453-L565 HydrophobicContact CD2-CD2 3.59Å; F453-L565 HydrophobicContact CE2-CD2 3.44Å; F453-L565 VanDerWaalsContact CE2-CD2 3.44Å; F453-Y595 HydrophobicContact CD1-CD1 4.31Å; F453-Y595 HydrophobicContact CD1-CD2 4.42Å; F453-Y595 AromaticContact CD1-CG 3.92Å; F453-Y595 HydrophobicContact CD1-CG 3.92Å; F453-Y595 HydrophobicContact CE1-CD2 4.06Å; F453-Y595 HydrophobicContact CE1-CG 4.03Å; F453-I597 HydrophobicContact CD1-CD1 4.41Å; F453-I597 HydrophobicContact CD1-CG1 4.22Å; F453-I597 HydrophobicContact CE1-CD1 3.83Å; F453-I597 HydrophobicContact CE1-CG1 4.14Å; F453-I597 HydrophobicContact CZ-CD1 3.92Å; F453-I597 HydrophobicContact CZ-CG1 4.41Å
454N96.8Very high92.6Very high54 Ų5436.4 Ų36.429%0.28920%0.202SC..SBendtrans-79-17.8-177.2-64.4-53.6000113.3Y595 N596 T598N454-Y595 PolarHBondContact N-O 2.96Å; N454-N596 HydrophobicContact CB-CB 4.23Å; N454-N596 WeakPolarHBondContact CB-O 3.43Å; N454-N596 PolarHBondContact N-O 3.33Å; N454-N596 PolarHBondContact ND2-O 3.4Å; N454-T598 PolarHBondContact ND2-OG1 2.68Å
455R95.2Very high93.1Very high170 Ų17031.2 Ų31.264%0.64218%0.177SC*.  trans-138.271.6175.5-66.7-174.1-174.3160.62.7109.7F453 G457 Y595 N596F453-R455 VanDerWaalsContact C-N 3.33Å; R455-G457 PolarHBondContact O-N 2.86Å; R455-Y595 PolarHBondContact N-O 3.5Å; R455-Y595 WeakPolarHBondContact O-CA 3.21Å; R455-N596 HydrophobicContact CG-CB 4.47Å
456P94Very high93.6Very high2 Ų235.6 Ų35.61%0.01319%0.187CC..  trans-69.2-18.1-174.930.8-36.1000113.1F453 L459 N464 V560 S561 F563F453-P456 HydrophobicContact CB-CB 4.3Å; P456-L459 HydrophobicContact CB-CD2 4.22Å; P456-N464 PolarHBondContact O-ND2 3.38Å; P456-V560 HydrophobicContact CG-CB 4.49Å; P456-V560 HydrophobicContact CG-CG1 4.2Å; P456-V560 VanDerWaalsContact CG-O 3.32Å; P456-V560 WeakPolarHBondContact CG-O 3.19Å; P456-S561 WeakPolarHBondContact CD-O 3.24Å; P456-F563 HydrophobicContact CB-CD1 3.62Å; P456-F563 HydrophobicContact CB-CE1 3.37Å; P456-F563 HydrophobicContact CG-CD1 4Å; P456-F563 HydrophobicContact CG-CE1 4.27Å
457G91.8Very high94.2Very high46 Ų4640.6 Ų40.647%0.47421%0.206SC..  trans73.4-163.1-174.100000111.7R455 L459R455-G457 PolarHBondContact O-N 2.86Å; G457-L459 PolarHBondContact O-N 3.36Å
458N91.9Very high94.6Very high55 Ų5540.4 Ų40.429%0.29421%0.205SC..  trans-73.5115.3-179.8-169.1-2.1000110.5S460 N464 E511 Y515N458-S460 PolarHBondContact ND2-OG 2.84Å; N458-S460 PolarHBondContact OD1-N 3.27Å; N458-S460 PolarHBondContact OD1-OG 3.34Å; N458-N464 WeakPolarHBondContact O-CB 3.4Å; N458-N464 PolarHBondContact O-ND2 3.19Å; N458-E511 PolarHBondContact ND2-OE2 3.46Å; N458-Y515 PolarHBondContact OD1-OH 3Å
459L93.7Very high94.8Very high0 Ų042.4 Ų42.40%021%0.213CC..SBendtrans-84-11.9178.7-66.6179.6000113.1P456 G457 D461 R465 I468 W490 F514 Y515 V560 F563P456-L459 HydrophobicContact CB-CD2 4.22Å; G457-L459 PolarHBondContact O-N 3.36Å; L459-D461 VanDerWaalsContact C-N 3.28Å; L459-R465 VanDerWaalsContact O-CD 3.23Å; L459-R465 WeakPolarHBondContact O-CD 3.48Å; L459-R465 WeakPolarHBondContact O-CG 3.14Å; L459-R465 PolarHBondContact O-NH1 3.48Å; L459-I468 HydrophobicContact CD2-CD1 3.35Å; L459-W490 HydrophobicContact CD1-CH2 3.65Å; L459-W490 HydrophobicContact CD1-CZ2 3.71Å; L459-F514 HydrophobicContact CB-CE1 3.89Å; L459-F514 HydrophobicContact CB-CZ 4.04Å; L459-F514 WeakPolarHBondContact O-CZ 3.37Å; L459-Y515 HydrophobicContact CB-CE1 4.47Å; L459-Y515 PolarHBondContact N-OH 3.38Å; L459-Y515 VanDerWaalsContact N-OH 3.1Å; L459-V560 HydrophobicContact CD1-CB 3.76Å; L459-V560 HydrophobicContact CD1-CG1 4.16Å; L459-V560 HydrophobicContact CD1-CG2 3.75Å; L459-F563 HydrophobicContact CD1-CD1 4.27Å; L459-F563 HydrophobicContact CD1-CE1 4.42Å; L459-F563 HydrophobicContact CD2-CE1 4.28Å
460S91.4Very high94.8Very high21 Ų2148.2 Ų48.215%0.14724%0.24CC..SBendtrans-74.8-19.9171.677.60000112.3N458 A462 R465 E511N458-S460 PolarHBondContact ND2-OG 2.84Å; N458-S460 PolarHBondContact OD1-N 3.27Å; N458-S460 PolarHBondContact OD1-OG 3.34Å; S460-A462 PolarHBondContact O-N 2.74Å; S460-R465 PolarHBondContact O-NH1 3.02Å; S460-E511 WeakPolarHBondContact OG-CG 3.27Å
461D92.8Very high94.8Very high68 Ų6846 Ų4636%0.36423%0.229SC..  trans-73.5118.3173174.224.6000111.4L459 A463 N464 R465 R467L459-D461 VanDerWaalsContact C-N 3.28Å; D461-A463 VanDerWaalsContact C-N 3.28Å; D461-A463 PolarHBondContact O-N 3.14Å; D461-A463 PolarHBondContact OD1-N 3.32Å; D461-N464 HydrophobicContact CB-CB 3.97Å; D461-N464 PolarHBondContact O-N 3.44Å; D461-N464 WeakPolarHBondContact OD2-CB 2.96Å; D461-N464 PolarHBondContact OD2-N 2.99Å; D461-N464 VanDerWaalsContact OD2-N 3.1Å; D461-R465 PolarHBondContact O-N 3.05Å; D461-R467 IonicContact OD2-NH2 3.99Å
462A93.1Very high94.7Very high25 Ų2546.1 Ų46.121%0.20723%0.23CC..Hα-helixtrans-60.3-35.5177.100000112.7S460 R466S460-A462 PolarHBondContact O-N 2.74Å; A462-R466 VanDerWaalsContact O-CG 3.25Å; A462-R466 WeakPolarHBondContact O-CG 3.31Å; A462-R466 PolarHBondContact O-N 3.48Å
463A94Very high94.7Very high43 Ų4351.9 Ų51.936%0.35525%0.248SC..Hα-helixtrans-68.3-39.9178.500000111.2D461 R467D461-A463 VanDerWaalsContact C-N 3.28Å; D461-A463 PolarHBondContact O-N 3.14Å; D461-A463 PolarHBondContact OD1-N 3.32Å; A463-R467 WeakPolarHBondContact O-CG 3.44Å; A463-R467 PolarHBondContact O-N 2.95Å; A463-R467 VanDerWaalsContact O-N 3.14Å
464N94.8Very high94.5Very high12 Ų1256.7 Ų56.76%0.06427%0.269CS..Hα-helixtrans-66-45174.7-164.850000112.7P456 N458 D461 R466 R467 I468 Y595P456-N464 PolarHBondContact O-ND2 3.38Å; N458-N464 WeakPolarHBondContact O-CB 3.4Å; N458-N464 PolarHBondContact O-ND2 3.19Å; D461-N464 HydrophobicContact CB-CB 3.97Å; D461-N464 PolarHBondContact O-N 3.44Å; D461-N464 WeakPolarHBondContact OD2-CB 2.96Å; D461-N464 PolarHBondContact OD2-N 2.99Å; D461-N464 VanDerWaalsContact OD2-N 3.1Å; N464-R466 VanDerWaalsContact C-N 3.33Å; N464-R466 PolarHBondContact O-N 3.24Å; N464-R467 VanDerWaalsContact CA-NH2 3.25Å; N464-R467 PolarHBondContact O-N 3.5Å; N464-R467 PolarHBondContact OD1-NH2 2.91Å; N464-I468 WeakPolarHBondContact O-CG1 3.32Å; N464-I468 PolarHBondContact O-N 3.47Å; N464-Y595 PolarHBondContact OD1-OH 2.83Å
465R94.9Very high94.5Very high4 Ų454.3 Ų54.32%0.01526%0.256CS..Hα-helixtrans-56-46.8173.8-70.9-164.2-62.4-80.71.7111.9L459 S460 D461 R467 I468 Y469 L491 E495 D507L459-R465 VanDerWaalsContact O-CD 3.23Å; L459-R465 WeakPolarHBondContact O-CD 3.48Å; L459-R465 WeakPolarHBondContact O-CG 3.14Å; L459-R465 PolarHBondContact O-NH1 3.48Å; S460-R465 PolarHBondContact O-NH1 3.02Å; D461-R465 PolarHBondContact O-N 3.05Å; R465-R467 PolarHBondContact O-N 3.3Å; R465-I468 WeakPolarHBondContact O-CB 3.29Å; R465-I468 PolarHBondContact O-N 3.36Å; R465-I468 VanDerWaalsContact O-N 3.12Å; R465-Y469 HydrophobicContact CB-CE2 4.41Å; R465-Y469 WeakPolarHBondContact O-CD2 3.48Å; R465-Y469 PolarHBondContact O-N 3.3Å; R465-L491 HydrophobicContact CG-CD2 4.25Å; R465-E495 IonicContact NE-OE1 2.94Å; R465-D507 IonicContact CZ-OD1 3.79Å; R465-D507 IonicContact NH2-OD1 3.85Å; R465-D507 PolarHBondContact NH2-OD1 3.49Å
466R95.5Very high94.4Very high151 Ų15146.2 Ų46.257%0.5723%0.226SC*.Hα-helixtrans-58-45.6177.8-72.7171.4-167179.35.7112.1A462 N464 I468 Y469 E470 D507A462-R466 VanDerWaalsContact O-CG 3.25Å; A462-R466 WeakPolarHBondContact O-CG 3.31Å; A462-R466 PolarHBondContact O-N 3.48Å; N464-R466 VanDerWaalsContact C-N 3.33Å; N464-R466 PolarHBondContact O-N 3.24Å; R466-I468 VanDerWaalsContact C-N 3.34Å; R466-I468 PolarHBondContact O-N 3.16Å; R466-Y469 PolarHBondContact O-N 2.93Å; R466-E470 WeakPolarHBondContact O-CG 3.37Å; R466-E470 PolarHBondContact O-N 2.93Å; R466-D507 IonicContact NH2-OD2 2.7Å
467R95.2Very high94.4Very high104 Ų10450.1 Ų50.139%0.39225%0.247SC..Hα-helixtrans-61.5-40.6174.9-70.7-173.8-62.2-92.41.4112.3D461 A463 N464 R465 E470 V471 Y595D461-R467 IonicContact OD2-NH2 3.99Å; A463-R467 WeakPolarHBondContact O-CG 3.44Å; A463-R467 PolarHBondContact O-N 2.95Å; A463-R467 VanDerWaalsContact O-N 3.14Å; N464-R467 VanDerWaalsContact CA-NH2 3.25Å; N464-R467 PolarHBondContact O-N 3.5Å; N464-R467 PolarHBondContact OD1-NH2 2.91Å; R465-R467 PolarHBondContact O-N 3.3Å; R467-E470 WeakPolarHBondContact O-CB 3.38Å; R467-E470 PolarHBondContact O-N 3.05Å; R467-V471 VanDerWaalsContact O-CG2 3.31Å; R467-V471 WeakPolarHBondContact O-CG2 3.44Å; R467-V471 PolarHBondContact O-N 3.43Å; R467-Y595 VanDerWaalsContact CB-OH 3.24Å; R467-Y595 WeakPolarHBondContact CB-OH 3.38Å
468I96.2Very high94.3Very high0 Ų049 Ų490%023%0.234CC..Hα-helixtrans-62.2-45.4175.9-70.5169.9000110.4F453 L459 N464 R465 R466 E470 V471 V472 F489 F563 Y595F453-I468 HydrophobicContact CE1-CG1 4.42Å; F453-I468 HydrophobicContact CE1-CG2 4.26Å; F453-I468 HydrophobicContact CZ-CG2 4.38Å; L459-I468 HydrophobicContact CD2-CD1 3.35Å; N464-I468 WeakPolarHBondContact O-CG1 3.32Å; N464-I468 PolarHBondContact O-N 3.47Å; R465-I468 WeakPolarHBondContact O-CB 3.29Å; R465-I468 PolarHBondContact O-N 3.36Å; R465-I468 VanDerWaalsContact O-N 3.12Å; R466-I468 VanDerWaalsContact C-N 3.34Å; R466-I468 PolarHBondContact O-N 3.16Å; I468-E470 VanDerWaalsContact C-N 3.32Å; I468-E470 PolarHBondContact O-N 2.87Å; I468-V471 WeakPolarHBondContact O-CB 3.4Å; I468-V471 PolarHBondContact O-N 3.42Å; I468-V471 VanDerWaalsContact O-N 3.16Å; I468-V472 HydrophobicContact CG2-CG2 4.21Å; I468-V472 VanDerWaalsContact O-CG2 3.32Å; I468-V472 WeakPolarHBondContact O-CG2 3.37Å; I468-V472 PolarHBondContact O-N 3.18Å; I468-F489 HydrophobicContact CG2-CE1 4.47Å; I468-F489 HydrophobicContact CG2-CZ 4.01Å; I468-F563 HydrophobicContact CD1-CE1 4.36Å; I468-F563 HydrophobicContact CG2-CZ 3.93Å; I468-Y595 HydrophobicContact CG1-CE1 4.07Å
469Y96.2Very high94.2Very high56 Ų5651.1 Ų51.122%0.2225%0.251CS..Hα-helixtrans-60.4-40.2175.6-76.8-64.1000112.6R465 R466 V471 V472 R473 F489 L491 Q492 E495R465-Y469 HydrophobicContact CB-CE2 4.41Å; R465-Y469 WeakPolarHBondContact O-CD2 3.48Å; R465-Y469 PolarHBondContact O-N 3.3Å; R466-Y469 PolarHBondContact O-N 2.93Å; Y469-V471 VanDerWaalsContact C-N 3.33Å; Y469-V471 PolarHBondContact O-N 2.86Å; Y469-V472 PolarHBondContact O-N 3.44Å; Y469-R473 WeakPolarHBondContact O-CB 3.39Å; Y469-R473 PolarHBondContact O-N 3.42Å; Y469-F489 HydrophobicContact CD1-CD1 4.28Å; Y469-F489 AromaticContact CD1-CE1 3.86Å; Y469-F489 HydrophobicContact CD1-CE1 3.86Å; Y469-F489 AromaticContact CE1-CD1 3.76Å; Y469-F489 HydrophobicContact CE1-CD1 3.76Å; Y469-F489 AromaticContact CE1-CE1 3.45Å; Y469-F489 HydrophobicContact CE1-CE1 3.45Å; Y469-F489 VanDerWaalsContact CE1-CE1 3.45Å; Y469-L491 HydrophobicContact CE2-CD2 4.14Å; Y469-L491 WeakPolarHBondContact OH-CG 3.22Å; Y469-Q492 HydrophobicContact CE1-CB 4.37Å; Y469-Q492 PolarHBondContact OH-N 3.46Å; Y469-E495 VanDerWaalsContact CE2-OE1 3.27Å; Y469-E495 WeakPolarHBondContact CE2-OE1 3.45Å; Y469-E495 PolarHBondContact OH-OE1 2.77Å; Y469-E495 PolarHBondContact OH-OE2 3.31Å; Y469-E495 VanDerWaalsContact OH-OE2 3.09Å
470E95.1Very high94.1Very high122 Ų12252.3 Ų52.357%0.5726%0.257SS*.Hα-helixtrans-59.8-43.1174.1-72.1170-173.200112R466 R467 I468 R473 K474R466-E470 WeakPolarHBondContact O-CG 3.37Å; R466-E470 PolarHBondContact O-N 2.93Å; R467-E470 WeakPolarHBondContact O-CB 3.38Å; R467-E470 PolarHBondContact O-N 3.05Å; I468-E470 VanDerWaalsContact C-N 3.32Å; I468-E470 PolarHBondContact O-N 2.87Å; E470-R473 PolarHBondContact O-N 3.39Å; E470-K474 PolarHBondContact O-N 3.27Å; E470-K474 VanDerWaalsContact O-N 3.16Å
471V95.7Very high94.1Very high2 Ų251.6 Ų51.61%0.01225%0.253CS..Hα-helixtrans-64.7-49176.1176.50000110.9F453 R467 I468 Y469 R473 K474 F475 Y592 Y595 I597F453-V471 HydrophobicContact CE1-CG1 4.17Å; F453-V471 HydrophobicContact CZ-CB 4.3Å; F453-V471 HydrophobicContact CZ-CG1 3.79Å; R467-V471 VanDerWaalsContact O-CG2 3.31Å; R467-V471 WeakPolarHBondContact O-CG2 3.44Å; R467-V471 PolarHBondContact O-N 3.43Å; I468-V471 WeakPolarHBondContact O-CB 3.4Å; I468-V471 PolarHBondContact O-N 3.42Å; I468-V471 VanDerWaalsContact O-N 3.16Å; Y469-V471 VanDerWaalsContact C-N 3.33Å; Y469-V471 PolarHBondContact O-N 2.86Å; V471-R473 PolarHBondContact O-N 3.37Å; V471-K474 WeakPolarHBondContact O-CB 3.46Å; V471-K474 PolarHBondContact O-N 3.27Å; V471-F475 HydrophobicContact CG1-CD2 4.2Å; V471-F475 HydrophobicContact CG1-CE2 3.8Å; V471-F475 WeakPolarHBondContact O-CD2 3.44Å; V471-F475 PolarHBondContact O-N 3.3Å; V471-Y592 HydrophobicContact CB-CE2 4.48Å; V471-Y592 HydrophobicContact CG1-CD2 3.92Å; V471-Y592 HydrophobicContact CG1-CE2 4.19Å; V471-Y592 HydrophobicContact CG1-CG 4.34Å; V471-Y592 HydrophobicContact CG2-CD1 3.65Å; V471-Y592 HydrophobicContact CG2-CD2 3.91Å; V471-Y592 HydrophobicContact CG2-CE1 3.61Å; V471-Y592 HydrophobicContact CG2-CE2 3.89Å; V471-Y592 HydrophobicContact CG2-CG 3.79Å; V471-Y595 HydrophobicContact CG2-CD2 4.33Å; V471-Y595 HydrophobicContact CG2-CE2 3.99Å; V471-I597 HydrophobicContact CG1-CD1 3.64Å
472V96.4Very high94Very high2 Ų250.4 Ų50.41%0.01225%0.246CC..Hα-helixtrans-57.9-39.2177.8170.80000110.7F453 I468 Y469 K474 F475 S476 L487 F489 L565F453-V472 HydrophobicContact CE2-CG2 4.2Å; F453-V472 HydrophobicContact CZ-CG2 4.13Å; I468-V472 HydrophobicContact CG2-CG2 4.21Å; I468-V472 VanDerWaalsContact O-CG2 3.32Å; I468-V472 WeakPolarHBondContact O-CG2 3.37Å; I468-V472 PolarHBondContact O-N 3.18Å; Y469-V472 PolarHBondContact O-N 3.44Å; V472-K474 VanDerWaalsContact C-N 3.3Å; V472-K474 PolarHBondContact O-N 3.07Å; V472-F475 WeakPolarHBondContact O-CB 3.34Å; V472-F475 PolarHBondContact O-N 3.31Å; V472-F475 VanDerWaalsContact O-N 3.14Å; V472-S476 PolarHBondContact O-N 2.75Å; V472-L487 HydrophobicContact CG1-CD1 3.59Å; V472-L487 HydrophobicContact CG1-CD2 3.58Å; V472-L487 HydrophobicContact CG1-CG 4.26Å; V472-F489 HydrophobicContact CG2-CE1 4.29Å; V472-L565 HydrophobicContact CB-CD1 4.47Å; V472-L565 HydrophobicContact CG1-CD1 3.82Å; V472-L565 HydrophobicContact CG2-CD1 3.9Å; V472-L565 HydrophobicContact CG2-CD2 4.44Å
473R95.4Very high93.8Very high152 Ų15249.7 Ų49.757%0.57424%0.241SC*.Hα-helixtrans-67.3-28.5178.3-161.2172.7-167.9179.85113.1Y469 E470 V471 S476 N477Y469-R473 WeakPolarHBondContact O-CB 3.39Å; Y469-R473 PolarHBondContact O-N 3.42Å; E470-R473 PolarHBondContact O-N 3.39Å; V471-R473 PolarHBondContact O-N 3.37Å; R473-S476 WeakPolarHBondContact CA-OG 3.3Å; R473-S476 PolarHBondContact O-OG 3.41Å; R473-N477 WeakPolarHBondContact CG-ND2 3.26Å; R473-N477 WeakPolarHBondContact O-CB 3.46Å; R473-N477 PolarHBondContact O-N 3.37Å; R473-N477 PolarHBondContact O-ND2 3.42Å
474K94.9Very high93.5Very high102 Ų10250.9 Ų50.944%0.44324%0.242SC..Hα-helixtrans-69.2-34.8171.2-74.9-169175.4-175.60112.6E470 V471 V472 G478 T588 Y592E470-K474 PolarHBondContact O-N 3.27Å; E470-K474 VanDerWaalsContact O-N 3.16Å; V471-K474 WeakPolarHBondContact O-CB 3.46Å; V471-K474 PolarHBondContact O-N 3.27Å; V472-K474 VanDerWaalsContact C-N 3.3Å; V472-K474 PolarHBondContact O-N 3.07Å; K474-G478 WeakPolarHBondContact O-CA 3.42Å; K474-G478 PolarHBondContact O-N 2.68Å; K474-G478 VanDerWaalsContact O-N 3.17Å; K474-T588 HydrophobicContact CB-CG2 4.02Å; K474-Y592 HydrophobicContact CD-CE2 4.02Å; K474-Y592 VanDerWaalsContact CD-OH 3.27Å; K474-Y592 WeakPolarHBondContact CD-OH 3.37Å; K474-Y592 WeakPolarHBondContact CE-OH 3.07Å; K474-Y592 PolarHBondContact NZ-OH 2.94Å
475F95.5Very high93Very high3 Ų351.7 Ų51.71%0.01325%0.252CS..Hα-helixtrans-71.2-48.4172.3-72.3-75.3000111.5V451 V471 V472 G478 V567 F585 T588 A589 I597 T599V451-F475 HydrophobicContact CG1-CD2 4.36Å; V451-F475 HydrophobicContact CG1-CE2 4.07Å; V451-F475 HydrophobicContact CG1-CZ 4.23Å; V451-F475 HydrophobicContact CG2-CD1 4.47Å; V471-F475 HydrophobicContact CG1-CD2 4.2Å; V471-F475 HydrophobicContact CG1-CE2 3.8Å; V471-F475 WeakPolarHBondContact O-CD2 3.44Å; V471-F475 PolarHBondContact O-N 3.3Å; V472-F475 WeakPolarHBondContact O-CB 3.34Å; V472-F475 PolarHBondContact O-N 3.31Å; V472-F475 VanDerWaalsContact O-N 3.14Å; F475-G478 PolarHBondContact O-N 2.85Å; F475-V567 HydrophobicContact CB-CG1 4.36Å; F475-V567 HydrophobicContact CB-CG2 4.22Å; F475-F585 HydrophobicContact CB-CE1 4.47Å; F475-F585 AromaticContact CD1-CD1 3.54Å; F475-F585 HydrophobicContact CD1-CD1 3.54Å; F475-F585 AromaticContact CD1-CE1 3.73Å; F475-F585 HydrophobicContact CD1-CE1 3.73Å; F475-F585 HydrophobicContact CD1-CG 4.12Å; F475-F585 HydrophobicContact CD1-CZ 4.44Å; F475-F585 HydrophobicContact CE1-CB 4.41Å; F475-F585 AromaticContact CE1-CD1 3.85Å; F475-F585 HydrophobicContact CE1-CD1 3.85Å; F475-F585 HydrophobicContact CE1-CE1 4.47Å; F475-F585 HydrophobicContact CE1-CG 4.29Å; F475-F585 WeakPolarHBondContact CE1-O 3.46Å; F475-T588 HydrophobicContact CD1-CG2 3.89Å; F475-T588 HydrophobicContact CD2-CG2 4.1Å; F475-T588 HydrophobicContact CE1-CG2 3.66Å; F475-T588 HydrophobicContact CE2-CG2 3.87Å; F475-T588 HydrophobicContact CG-CG2 4.11Å; F475-T588 HydrophobicContact CZ-CG2 3.64Å; F475-A589 HydrophobicContact CZ-CB 4.15Å; F475-I597 HydrophobicContact CE2-CD1 4.24Å; F475-I597 HydrophobicContact CE2-CG2 4.38Å; F475-I597 HydrophobicContact CZ-CG2 4.11Å; F475-T599 HydrophobicContact CE1-CG2 4.13Å; F475-T599 HydrophobicContact CZ-CG2 4.47Å
476S93.6Very high92.7Very high0 Ų051.5 Ų51.50%025%0.252CS..Hα-helixtrans-68.3-39.6-175.7710000113V472 R473 G481 G483 D484V472-S476 PolarHBondContact O-N 2.75Å; R473-S476 WeakPolarHBondContact CA-OG 3.3Å; R473-S476 PolarHBondContact O-OG 3.41Å; S476-G481 CarbonylContact O-C 3.54Å; S476-G481 WeakPolarHBondContact O-CA 3.48Å; S476-G483 WeakPolarHBondContact O-CA 3.22Å; S476-G483 PolarHBondContact O-N 3.4Å; S476-D484 PolarHBondContact OG-OD1 2.99Å
477N94.2Very high92.6Very high85 Ų8544.6 Ų44.646%0.45523%0.226SC..THydrogen-bonded Turntrans-99.214.9179.1-60.6-54.7000113.2R473 G483R473-N477 WeakPolarHBondContact CG-ND2 3.26Å; R473-N477 WeakPolarHBondContact O-CB 3.46Å; R473-N477 PolarHBondContact O-N 3.37Å; R473-N477 PolarHBondContact O-ND2 3.42Å; N477-G483 VanDerWaalsContact OD1-CA 3.32Å; N477-G483 WeakPolarHBondContact OD1-CA 3.34Å
478G90.1Very high92.4Very high21 Ų2141.2 Ų41.222%0.21622%0.215CC..SBendtrans-64171.8170.600000112K474 F475 H480 G481K474-G478 WeakPolarHBondContact O-CA 3.42Å; K474-G478 PolarHBondContact O-N 2.68Å; K474-G478 VanDerWaalsContact O-N 3.17Å; F475-G478 PolarHBondContact O-N 2.85Å; G478-H480 PolarHBondContact O-N 2.6Å; G478-H480 VanDerWaalsContact O-N 3.13Å; G478-G481 PolarHBondContact O-N 2.88Å
479P89.3Confident92.3Very high100 Ų10041.3 Ų41.365%0.64922%0.215SC*.THydrogen-bonded Turntrans-53-39.1-17619.1-31.3000113.5K570P479-K570 WeakPolarHBondContact O-CE 3.33Å
480H90.9Very high92.2Very high25 Ų2538.7 Ų38.712%0.11621%0.205CC..THydrogen-bonded Turntrans-101.63.2179.3-57.1-81.2000113.9G478 I569 K570 E580 V581G478-H480 PolarHBondContact O-N 2.6Å; G478-H480 VanDerWaalsContact O-N 3.13Å; H480-I569 CarbonylContact O-C 3.52Å; H480-I569 WeakPolarHBondContact O-CA 3.48Å; H480-I569 WeakPolarHBondContact O-CB 3.46Å; H480-K570 WeakPolarHBondContact O-CG 3.43Å; H480-K570 PolarHBondContact O-N 3.18Å; H480-E580 IonicContact CE1-OE2 3.74Å; H480-V581 HydrophobicContact CB-CB 4.39Å; H480-V581 HydrophobicContact CB-CG1 4.18Å; H480-V581 HydrophobicContact CB-CG2 3.62Å; H480-V581 WeakPolarHBondContact ND1-CG2 3.34Å
481G92Very high92.2Very high7 Ų732.9 Ų32.97%0.07218%0.178CC..BIsolated β-bridgetrans-78.1145.6178.500000111.7S476 G478 G483S476-G481 CarbonylContact O-C 3.54Å; S476-G481 WeakPolarHBondContact O-CA 3.48Å; G478-G481 PolarHBondContact O-N 2.88Å; G481-G483 PolarHBondContact O-N 3.43Å
482M91Very high92Very high42 Ų4234.8 Ų34.821%0.20719%0.187CC..  trans-83.29.8176.4-67.7-177.572.300113.8P41 V445 G568 I569 K570P41-M482 HydrophobicContact CB-CE 3.83Å; P41-M482 HydrophobicContact CG-CE 3.71Å; V445-M482 HydrophobicContact CG1-CE 3.36Å; V445-M482 HydrophobicContact CG1-SD 4.15Å; M482-G568 WeakPolarHBondContact CB-O 3.36Å; M482-G568 WeakPolarHBondContact CG-O 3.36Å; M482-G568 PolarHBondContact N-O 2.92Å; M482-I569 VanDerWaalsContact SD-O 3.33Å; M482-K570 HydrophobicContact CG-CB 4.2Å; M482-K570 HydrophobicContact CG-CG 4.49Å
483G90Very high91.7Very high11 Ų1135.4 Ų35.411%0.11319%0.19CC..  trans69.9-168.6-171.200000113S476 N477 G481 G485 G486S476-G483 WeakPolarHBondContact O-CA 3.22Å; S476-G483 PolarHBondContact O-N 3.4Å; N477-G483 VanDerWaalsContact OD1-CA 3.32Å; N477-G483 WeakPolarHBondContact OD1-CA 3.34Å; G481-G483 PolarHBondContact O-N 3.43Å; G483-G485 PolarHBondContact O-N 3.49Å; G483-G485 VanDerWaalsContact O-N 3.08Å; G483-G486 PolarHBondContact O-N 3.42Å
484D86.9Confident91.6Very high68 Ų6828.2 Ų28.236%0.36416%0.162SC..G310 helixtrans-59.5-27.9-177.4-60.7-20.9000111.4R42 S476 G486 L487R42-D484 PolarHBondContact NH1-O 2.87Å; R42-D484 PolarHBondContact NH2-O 3.25Å; S476-D484 PolarHBondContact OG-OD1 2.99Å; D484-G486 PolarHBondContact O-N 2.9Å; D484-L487 WeakPolarHBondContact O-CB 3.38Å; D484-L487 PolarHBondContact O-N 3.2Å; D484-L487 VanDerWaalsContact O-N 3.14Å
485G84.8Confident91.5Very high28 Ų2825.9 Ų25.929%0.28915%0.153SC..G310 helixtrans-50.6-33.5170.600000114.9P41 R42 G483P41-G485 WeakPolarHBondContact CG-O 3.24Å; R42-G485 WeakPolarHBondContact CD-O 3.32Å; R42-G485 WeakPolarHBondContact CG-O 3.38Å; R42-G485 PolarHBondContact NE-O 3.17Å; G483-G485 PolarHBondContact O-N 3.49Å; G483-G485 VanDerWaalsContact O-N 3.08Å
486G89Confident91.1Very high0 Ų030.4 Ų30.40%017%0.174CC..G310 helixtrans-90.4-5.2-17900000115.4G483 D484 G568G483-G486 PolarHBondContact O-N 3.42Å; D484-G486 PolarHBondContact O-N 2.9Å; G486-G568 WeakPolarHBondContact O-CA 3.38Å; G486-G568 PolarHBondContact O-N 3.26Å
487L92.2Very high90.9Very high6 Ų630.7 Ų30.73%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-88.1127.1-169.4-175.968.8000111.8R42 V472 D484 F489 L565 M566 V567R42-L487 PolarHBondContact NH1-O 2.98Å; V472-L487 HydrophobicContact CG1-CD1 3.59Å; V472-L487 HydrophobicContact CG1-CD2 3.58Å; V472-L487 HydrophobicContact CG1-CG 4.26Å; D484-L487 WeakPolarHBondContact O-CB 3.38Å; D484-L487 PolarHBondContact O-N 3.2Å; D484-L487 VanDerWaalsContact O-N 3.14Å; L487-F489 HydrophobicContact CD1-CB 4.18Å; L487-F489 HydrophobicContact CD2-CB 4.03Å; L487-F489 HydrophobicContact CG-CB 3.88Å; L487-L565 HydrophobicContact CD1-CD1 3.54Å; L487-M566 WeakPolarHBondContact CA-O 3.42Å; L487-V567 HydrophobicContact CD1-CG2 4.05Å
488E91.7Very high90.7Very high34 Ų3426.6 Ų26.616%0.15915%0.153CC..EExtended strand (participates in β ladder)trans-110.3105.8160.1-64.2-171.39700109.1Y51 Q448 R529 M566Y51-E488 VanDerWaalsContact CB-CD 3.42Å; Y51-E488 WeakPolarHBondContact CB-OE2 3.14Å; Y51-E488 HydrophobicContact CG-CG 4.47Å; Q448-E488 PolarHBondContact NE2-OE2 3.27Å; E488-R529 IonicContact OE1-CZ 3.61Å; E488-R529 IonicContact OE1-NH1 2.82Å; E488-R529 PolarHBondContact OE1-NH1 3.4Å; E488-M566 HydrophobicContact CB-CB 4.09Å; E488-M566 HydrophobicContact CB-CG 4.43Å; E488-M566 PolarHBondContact N-O 3.19Å; E488-M566 PolarHBondContact O-N 3.42Å
489F94.3Very high90.7Very high2 Ų228 Ų281%0.00916%0.159CC..  trans-133.2115-177.2-176.7-154.3000110.5I468 Y469 V472 L487 L491 Q492 E493 F563 L565I468-F489 HydrophobicContact CG2-CE1 4.47Å; I468-F489 HydrophobicContact CG2-CZ 4.01Å; Y469-F489 HydrophobicContact CD1-CD1 4.28Å; Y469-F489 AromaticContact CD1-CE1 3.86Å; Y469-F489 HydrophobicContact CD1-CE1 3.86Å; Y469-F489 AromaticContact CE1-CD1 3.76Å; Y469-F489 HydrophobicContact CE1-CD1 3.76Å; Y469-F489 AromaticContact CE1-CE1 3.45Å; Y469-F489 HydrophobicContact CE1-CE1 3.45Å; Y469-F489 VanDerWaalsContact CE1-CE1 3.45Å; V472-F489 HydrophobicContact CG2-CE1 4.29Å; L487-F489 HydrophobicContact CD1-CB 4.18Å; L487-F489 HydrophobicContact CD2-CB 4.03Å; L487-F489 HydrophobicContact CG-CB 3.88Å; F489-L491 VanDerWaalsContact C-N 3.26Å; F489-L491 HydrophobicContact CD1-CB 4.26Å; F489-L491 HydrophobicContact CD2-CB 4.1Å; F489-L491 HydrophobicContact CE1-CB 3.74Å; F489-L491 HydrophobicContact CE1-CD2 4.05Å; F489-L491 HydrophobicContact CE1-CG 4.42Å; F489-L491 HydrophobicContact CE2-CB 3.53Å; F489-L491 HydrophobicContact CG-CB 4.44Å; F489-L491 HydrophobicContact CZ-CB 3.34Å; F489-L491 HydrophobicContact CZ-CD2 3.65Å; F489-L491 HydrophobicContact CZ-CG 4.12Å; F489-L491 PolarHBondContact O-N 2.99Å; F489-Q492 HydrophobicContact CB-CB 4.47Å; F489-Q492 HydrophobicContact CD1-CB 4.29Å; F489-Q492 PolarHBondContact O-N 2.95Å; F489-E493 PolarHBondContact O-N 3.49Å; F489-F563 HydrophobicContact CD2-CE2 4.4Å; F489-F563 HydrophobicContact CE2-CD2 4.01Å; F489-F563 AromaticContact CE2-CE2 3.48Å; F489-F563 HydrophobicContact CE2-CE2 3.48Å; F489-F563 VanDerWaalsContact CE2-CE2 3.48Å; F489-F563 HydrophobicContact CE2-CZ 4.04Å; F489-F563 HydrophobicContact CZ-CE2 4.05Å; F489-F563 HydrophobicContact CZ-CZ 4.19Å; F489-L565 HydrophobicContact CB-CB 4.34Å; F489-L565 HydrophobicContact CD2-CB 3.93Å; F489-L565 HydrophobicContact CG-CB 4.39Å
490W94.4Very high90.4Very high1 Ų130.3 Ų30.30%0.00415%0.154CC..Hα-helixtrans-59.3-34.2-176.368.6-94.6000113.1L459 Q492 E493 F494 L518 F530 V534 F563L459-W490 HydrophobicContact CD1-CH2 3.65Å; L459-W490 HydrophobicContact CD1-CZ2 3.71Å; W490-Q492 VanDerWaalsContact C-N 3.33Å; W490-Q492 PolarHBondContact O-N 3.22Å; W490-E493 PolarHBondContact O-N 3.26Å; W490-F494 HydrophobicContact CE3-CB 4.32Å; W490-F494 HydrophobicContact CZ3-CB 4.5Å; W490-F494 WeakPolarHBondContact O-CB 3.39Å; W490-F494 PolarHBondContact O-N 3.04Å; W490-L518 HydrophobicContact CE3-CD1 3.78Å; W490-L518 HydrophobicContact CH2-CD1 4.11Å; W490-L518 HydrophobicContact CH2-CD2 3.89Å; W490-L518 HydrophobicContact CZ3-CD1 3.31Å; W490-L518 HydrophobicContact CZ3-CD2 3.94Å; W490-L518 HydrophobicContact CZ3-CG 4.27Å; W490-F530 HydrophobicContact CB-CB 3.78Å; W490-F530 HydrophobicContact CB-CD1 3.73Å; W490-F530 HydrophobicContact CB-CD2 4.16Å; W490-F530 HydrophobicContact CB-CE1 4.32Å; W490-F530 HydrophobicContact CB-CG 3.64Å; W490-V534 HydrophobicContact CD2-CG2 3.59Å; W490-V534 VanDerWaalsContact CE2-CG2 3.48Å; W490-V534 HydrophobicContact CE3-CG2 4.3Å; W490-V534 HydrophobicContact CG-CG2 3.7Å; W490-V534 HydrophobicContact CZ2-CG1 4.37Å; W490-V534 HydrophobicContact CZ2-CG2 4.07Å; W490-F563 HydrophobicContact CZ2-CB 4.22Å; W490-F563 HydrophobicContact CZ2-CD1 4.23Å; W490-F563 HydrophobicContact CZ2-CG 4.16Å; W490-F563 AromaticContact NE1-CD2 3.46Å; W490-F563 AromaticContact NE1-CG 3.5Å
491L94.1Very high90Very high0 Ų033.6 Ų33.60%017%0.167CC..Hα-helixtrans-66.5-39.6-177.6-174.465.7000110.8R465 Y469 F489 E493 F494 E495 F514R465-L491 HydrophobicContact CG-CD2 4.25Å; Y469-L491 HydrophobicContact CE2-CD2 4.14Å; Y469-L491 WeakPolarHBondContact OH-CG 3.22Å; F489-L491 VanDerWaalsContact C-N 3.26Å; F489-L491 HydrophobicContact CD1-CB 4.26Å; F489-L491 HydrophobicContact CD2-CB 4.1Å; F489-L491 HydrophobicContact CE1-CB 3.74Å; F489-L491 HydrophobicContact CE1-CD2 4.05Å; F489-L491 HydrophobicContact CE1-CG 4.42Å; F489-L491 HydrophobicContact CE2-CB 3.53Å; F489-L491 HydrophobicContact CG-CB 4.44Å; F489-L491 HydrophobicContact CZ-CB 3.34Å; F489-L491 HydrophobicContact CZ-CD2 3.65Å; F489-L491 HydrophobicContact CZ-CG 4.12Å; F489-L491 PolarHBondContact O-N 2.99Å; L491-E493 VanDerWaalsContact C-N 3.33Å; L491-E493 PolarHBondContact O-N 3.16Å; L491-F494 HydrophobicContact CD1-CD1 4.32Å; L491-F494 WeakPolarHBondContact O-CB 3.26Å; L491-F494 PolarHBondContact O-N 3.48Å; L491-E495 WeakPolarHBondContact O-CG 3.5Å; L491-E495 PolarHBondContact O-N 3.33Å; L491-F514 HydrophobicContact CD1-CZ 4.2Å
492Q91.9Very high89.6Confident42 Ų4236.9 Ų36.920%0.19618%0.182CC..Hα-helixtrans-62.2-43.7174.7-173.4178.31.700110.6Y469 F489 W490 E495 H496Y469-Q492 HydrophobicContact CE1-CB 4.37Å; Y469-Q492 PolarHBondContact OH-N 3.46Å; F489-Q492 HydrophobicContact CB-CB 4.47Å; F489-Q492 HydrophobicContact CD1-CB 4.29Å; F489-Q492 PolarHBondContact O-N 2.95Å; W490-Q492 VanDerWaalsContact C-N 3.33Å; W490-Q492 PolarHBondContact O-N 3.22Å; Q492-E495 PolarHBondContact O-N 2.88Å; Q492-H496 PolarHBondContact O-N 2.93Å; Q492-H496 PolarHBondContact O-ND1 2.74Å
493E90.2Very high89.3Confident15 Ų1537.9 Ų37.97%0.0720%0.203CC..Hα-helixtrans-67.9-35177.8-61.9-62.5133.100112.1R49 F489 W490 L491 H496 F497 F521 F527 F530R49-E493 WeakPolarHBondContact CD-OE1 3.2Å; R49-E493 IonicContact CZ-OE1 3.66Å; R49-E493 IonicContact NE-OE1 3.14Å; R49-E493 IonicContact NH1-OE1 2.79Å; R49-E493 PolarHBondContact NH1-OE1 3.41Å; F489-E493 PolarHBondContact O-N 3.49Å; W490-E493 PolarHBondContact O-N 3.26Å; L491-E493 VanDerWaalsContact C-N 3.33Å; L491-E493 PolarHBondContact O-N 3.16Å; E493-H496 PolarHBondContact O-N 3.13Å; E493-F497 VanDerWaalsContact O-CB 3.31Å; E493-F497 WeakPolarHBondContact O-CB 3.32Å; E493-F497 PolarHBondContact O-N 2.95Å; E493-F521 HydrophobicContact CB-CZ 4.14Å; E493-F527 HydrophobicContact CB-CE1 4.41Å; E493-F530 HydrophobicContact CB-CE2 4.17Å; E493-F530 HydrophobicContact CG-CE2 4.04Å; E493-F530 HydrophobicContact CG-CZ 4.1Å
494F93.1Very high89.2Confident0 Ų040.5 Ų40.50%021%0.214CC..Hα-helixtrans-64-43.1174.6176.8-117.3000112.4W490 L491 H496 F497 L498 F514 N517 L518 F521W490-F494 HydrophobicContact CE3-CB 4.32Å; W490-F494 HydrophobicContact CZ3-CB 4.5Å; W490-F494 WeakPolarHBondContact O-CB 3.39Å; W490-F494 PolarHBondContact O-N 3.04Å; L491-F494 HydrophobicContact CD1-CD1 4.32Å; L491-F494 WeakPolarHBondContact O-CB 3.26Å; L491-F494 PolarHBondContact O-N 3.48Å; F494-H496 VanDerWaalsContact C-N 3.29Å; F494-H496 PolarHBondContact O-N 2.99Å; F494-F497 HydrophobicContact CD2-CD1 4.48Å; F494-F497 WeakPolarHBondContact O-CB 3.35Å; F494-F497 PolarHBondContact O-N 3.22Å; F494-F497 VanDerWaalsContact O-N 3.15Å; F494-L498 HydrophobicContact CD1-CD1 4.19Å; F494-L498 HydrophobicContact CD2-CG 4.37Å; F494-L498 HydrophobicContact CE1-CD1 3.61Å; F494-L498 HydrophobicContact CE1-CG 4.42Å; F494-L498 HydrophobicContact CE2-CD1 3.98Å; F494-L498 HydrophobicContact CE2-CD2 4.13Å; F494-L498 HydrophobicContact CE2-CG 3.91Å; F494-L498 HydrophobicContact CZ-CD1 3.51Å; F494-L498 HydrophobicContact CZ-CD2 4.18Å; F494-L498 HydrophobicContact CZ-CG 3.96Å; F494-L498 PolarHBondContact O-N 3.09Å; F494-L498 VanDerWaalsContact O-N 3.08Å; F494-F514 HydrophobicContact CD1-CE2 4.36Å; F494-F514 HydrophobicContact CD1-CZ 4.35Å; F494-F514 HydrophobicContact CE1-CD2 4.11Å; F494-F514 HydrophobicContact CE1-CE1 4.46Å; F494-F514 AromaticContact CE1-CE2 3.66Å; F494-F514 HydrophobicContact CE1-CE2 3.66Å; F494-F514 AromaticContact CE1-CZ 3.84Å; F494-F514 HydrophobicContact CE1-CZ 3.84Å; F494-N517 HydrophobicContact CE2-CB 4.23Å; F494-N517 HydrophobicContact CZ-CB 4.11Å; F494-L518 HydrophobicContact CD2-CD1 4.29Å; F494-L518 HydrophobicContact CE2-CB 4.29Å; F494-L518 HydrophobicContact CE2-CD1 4.46Å; F494-L518 HydrophobicContact CG-CD1 4.35Å; F494-L518 HydrophobicContact CZ-CB 4.07Å; F494-F521 HydrophobicContact CB-CD1 4.25Å; F494-F521 HydrophobicContact CB-CE1 4.14Å; F494-F521 HydrophobicContact CB-CE2 4.42Å; F494-F521 HydrophobicContact CB-CG 4.46Å; F494-F521 HydrophobicContact CB-CZ 4.22Å; F494-F521 HydrophobicContact CD2-CB 3.64Å; F494-F521 AromaticContact CD2-CD1 3.99Å; F494-F521 HydrophobicContact CD2-CD1 3.99Å; F494-F521 HydrophobicContact CD2-CD2 4.07Å; F494-F521 AromaticContact CD2-CG 3.64Å; F494-F521 HydrophobicContact CD2-CG 3.64Å; F494-F521 HydrophobicContact CE2-CB 3.9Å; F494-F521 HydrophobicContact CE2-CG 4.41Å; F494-F521 HydrophobicContact CG-CG 4.5Å
495E91.6Very high89.3Confident53 Ų5342.3 Ų42.325%0.24822%0.221CC..Hα-helixtrans-65-32175.7-68.7-178.4-171.700112.6R465 Y469 L491 Q492 P499 V506R465-E495 IonicContact NE-OE1 2.94Å; Y469-E495 VanDerWaalsContact CE2-OE1 3.27Å; Y469-E495 WeakPolarHBondContact CE2-OE1 3.45Å; Y469-E495 PolarHBondContact OH-OE1 2.77Å; Y469-E495 PolarHBondContact OH-OE2 3.31Å; Y469-E495 VanDerWaalsContact OH-OE2 3.09Å; L491-E495 WeakPolarHBondContact O-CG 3.5Å; L491-E495 PolarHBondContact O-N 3.33Å; Q492-E495 PolarHBondContact O-N 2.88Å; E495-P499 WeakPolarHBondContact O-CD 3.33Å; E495-V506 HydrophobicContact CB-CG2 3.85Å; E495-V506 HydrophobicContact CG-CB 4.3Å; E495-V506 HydrophobicContact CG-CG1 4.26Å; E495-V506 HydrophobicContact CG-CG2 3.56Å
496H88.2Confident89.5Confident98 Ų9841.5 Ų41.545%0.45421%0.21SC..Hα-helixtrans-77.2-28.1173.3-71.773.2000112.6Q492 E493 F494Q492-H496 PolarHBondContact O-N 2.93Å; Q492-H496 PolarHBondContact O-ND1 2.74Å; E493-H496 PolarHBondContact O-N 3.13Å; F494-H496 VanDerWaalsContact C-N 3.29Å; F494-H496 PolarHBondContact O-N 2.99Å
497F88.6Confident89.5Confident6 Ų646.1 Ų46.13%0.02624%0.235CC..Hα-helixtrans-70.5-45.4178.8169.6-92.5000112E493 F494 R500 Y501 F521 F524 F527E493-F497 VanDerWaalsContact O-CB 3.31Å; E493-F497 WeakPolarHBondContact O-CB 3.32Å; E493-F497 PolarHBondContact O-N 2.95Å; F494-F497 HydrophobicContact CD2-CD1 4.48Å; F494-F497 WeakPolarHBondContact O-CB 3.35Å; F494-F497 PolarHBondContact O-N 3.22Å; F494-F497 VanDerWaalsContact O-N 3.15Å; F497-R500 PolarHBondContact O-N 3.25Å; F497-R500 VanDerWaalsContact O-N 3.1Å; F497-Y501 AromaticContact CD2-CD2 3.09Å; F497-Y501 HydrophobicContact CD2-CD2 3.09Å; F497-Y501 AromaticContact CD2-CE2 3.34Å; F497-Y501 HydrophobicContact CD2-CE2 3.34Å; F497-Y501 AromaticContact CD2-CG 3.79Å; F497-Y501 HydrophobicContact CD2-CG 3.79Å; F497-Y501 AromaticContact CE2-CD1 3.88Å; F497-Y501 HydrophobicContact CE2-CD1 3.88Å; F497-Y501 AromaticContact CE2-CD2 3.15Å; F497-Y501 HydrophobicContact CE2-CD2 3.15Å; F497-Y501 HydrophobicContact CE2-CE1 4.19Å; F497-Y501 AromaticContact CE2-CE2 3.51Å; F497-Y501 HydrophobicContact CE2-CE2 3.51Å; F497-Y501 AromaticContact CE2-CG 3.33Å; F497-Y501 HydrophobicContact CE2-CG 3.33Å; F497-Y501 AromaticContact CG-CD2 3.86Å; F497-Y501 HydrophobicContact CG-CD2 3.86Å; F497-Y501 HydrophobicContact CG-CE2 4.39Å; F497-Y501 HydrophobicContact CZ-CD1 4.35Å; F497-Y501 AromaticContact CZ-CD2 3.95Å; F497-Y501 HydrophobicContact CZ-CD2 3.95Å; F497-Y501 AromaticContact CZ-CG 3.76Å; F497-Y501 HydrophobicContact CZ-CG 3.76Å; F497-Y501 WeakPolarHBondContact O-CD2 3.38Å; F497-Y501 PolarHBondContact O-N 3Å; F497-F521 HydrophobicContact CB-CD2 3.92Å; F497-F521 HydrophobicContact CB-CE2 4.03Å; F497-F521 HydrophobicContact CD1-CB 4.28Å; F497-F521 AromaticContact CD1-CD2 3.84Å; F497-F521 HydrophobicContact CD1-CD2 3.84Å; F497-F521 HydrophobicContact CD2-CD2 4.01Å; F497-F521 HydrophobicContact CD2-CE2 4.5Å; F497-F521 HydrophobicContact CE1-CB 4.26Å; F497-F521 HydrophobicContact CE1-CD2 4.39Å; F497-F521 AromaticContact CG-CD2 3.65Å; F497-F521 HydrophobicContact CG-CD2 3.65Å; F497-F521 HydrophobicContact CG-CE2 4.2Å; F497-F524 HydrophobicContact CE2-CD2 4.02Å; F497-F524 HydrophobicContact CE2-CE2 4.12Å; F497-F524 HydrophobicContact CE2-CG 4.3Å; F497-F524 HydrophobicContact CE2-CZ 4.45Å; F497-F524 AromaticContact CZ-CD2 3.68Å; F497-F524 HydrophobicContact CZ-CD2 3.68Å; F497-F524 AromaticContact CZ-CE2 3.51Å; F497-F524 HydrophobicContact CZ-CE2 3.51Å; F497-F524 HydrophobicContact CZ-CG 4.41Å; F497-F524 HydrophobicContact CZ-CZ 4.07Å; F497-F527 HydrophobicContact CD2-CD2 4.04Å; F497-F527 AromaticContact CD2-CE2 3.48Å; F497-F527 HydrophobicContact CD2-CE2 3.48Å; F497-F527 VanDerWaalsContact CD2-CE2 3.48Å; F497-F527 HydrophobicContact CD2-CZ 4.19Å; F497-F527 HydrophobicContact CE2-CD2 4.34Å; F497-F527 HydrophobicContact CE2-CE2 4.03Å; F497-F527 HydrophobicContact CG-CE2 4.42Å
498L90.6Very high89.3Confident0 Ų051.7 Ų51.70%027%0.265CS..Hα-helixtrans-56.1-49.5-172.2-82.4171.5000114.8F494 R500 N502 G503 L504 V506 L509 N517F494-L498 HydrophobicContact CD1-CD1 4.19Å; F494-L498 HydrophobicContact CD2-CG 4.37Å; F494-L498 HydrophobicContact CE1-CD1 3.61Å; F494-L498 HydrophobicContact CE1-CG 4.42Å; F494-L498 HydrophobicContact CE2-CD1 3.98Å; F494-L498 HydrophobicContact CE2-CD2 4.13Å; F494-L498 HydrophobicContact CE2-CG 3.91Å; F494-L498 HydrophobicContact CZ-CD1 3.51Å; F494-L498 HydrophobicContact CZ-CD2 4.18Å; F494-L498 HydrophobicContact CZ-CG 3.96Å; F494-L498 PolarHBondContact O-N 3.09Å; F494-L498 VanDerWaalsContact O-N 3.08Å; L498-R500 VanDerWaalsContact C-N 3.27Å; L498-R500 PolarHBondContact O-N 3.42Å; L498-N502 PolarHBondContact O-N 3.46Å; L498-G503 PolarHBondContact O-N 3.38Å; L498-L504 CarbonylContact C-O 3.3Å; L498-L504 VanDerWaalsContact C-O 3.28Å; L498-L504 PolarHBondContact O-N 3.42Å; L498-V506 HydrophobicContact CB-CG2 4.36Å; L498-V506 HydrophobicContact CD1-CB 4.13Å; L498-V506 HydrophobicContact CD1-CG1 4.34Å; L498-V506 HydrophobicContact CD1-CG2 3.37Å; L498-V506 HydrophobicContact CG-CG2 4.46Å; L498-L509 HydrophobicContact CD1-CD1 3.69Å; L498-L509 HydrophobicContact CD2-CD1 4.21Å; L498-N517 HydrophobicContact CD2-CB 3.89Å
499P89.9Confident89.2Confident50 Ų5050.9 Ų50.933%0.32526%0.261SS..Hα-helixtrans-66-32.2178-22.233.3000112.6E495 G503 L504E495-P499 WeakPolarHBondContact O-CD 3.33Å; P499-G503 WeakPolarHBondContact O-CA 3.17Å; P499-G503 PolarHBondContact O-N 2.95Å; P499-L504 WeakPolarHBondContact CA-O 3.33Å; P499-L504 WeakPolarHBondContact CD-O 3.37Å; P499-L504 WeakPolarHBondContact CG-O 3.36Å; P499-L504 VanDerWaalsContact N-O 3.12Å
500R83.5Confident88.9Confident149 Ų14955.6 Ų55.656%0.56229%0.287SS*.Hα-helixtrans-77.2-37.4-174-171.4173.6-172.3160.94.5113N47 F497 L498N47-R500 PolarHBondContact ND2-NH2 2.7Å; N47-R500 VanDerWaalsContact ND2-NH2 3.13Å; N47-R500 VanDerWaalsContact OD1-CZ 3.28Å; N47-R500 PolarHBondContact OD1-NH1 3.31Å; N47-R500 PolarHBondContact OD1-NH2 2.91Å; F497-R500 PolarHBondContact O-N 3.25Å; F497-R500 VanDerWaalsContact O-N 3.1Å; L498-R500 VanDerWaalsContact C-N 3.27Å; L498-R500 PolarHBondContact O-N 3.42Å
501Y82.2Confident88.6Confident94 Ų9460.1 Ų60.137%0.36931%0.308SS..Hα-helixtrans-100.5-37.3-175.1-74.5-92.1000113.1F497F497-Y501 AromaticContact CD2-CD2 3.09Å; F497-Y501 HydrophobicContact CD2-CD2 3.09Å; F497-Y501 AromaticContact CD2-CE2 3.34Å; F497-Y501 HydrophobicContact CD2-CE2 3.34Å; F497-Y501 AromaticContact CD2-CG 3.79Å; F497-Y501 HydrophobicContact CD2-CG 3.79Å; F497-Y501 AromaticContact CE2-CD1 3.88Å; F497-Y501 HydrophobicContact CE2-CD1 3.88Å; F497-Y501 AromaticContact CE2-CD2 3.15Å; F497-Y501 HydrophobicContact CE2-CD2 3.15Å; F497-Y501 HydrophobicContact CE2-CE1 4.19Å; F497-Y501 AromaticContact CE2-CE2 3.51Å; F497-Y501 HydrophobicContact CE2-CE2 3.51Å; F497-Y501 AromaticContact CE2-CG 3.33Å; F497-Y501 HydrophobicContact CE2-CG 3.33Å; F497-Y501 AromaticContact CG-CD2 3.86Å; F497-Y501 HydrophobicContact CG-CD2 3.86Å; F497-Y501 HydrophobicContact CG-CE2 4.39Å; F497-Y501 HydrophobicContact CZ-CD1 4.35Å; F497-Y501 AromaticContact CZ-CD2 3.95Å; F497-Y501 HydrophobicContact CZ-CD2 3.95Å; F497-Y501 AromaticContact CZ-CG 3.76Å; F497-Y501 HydrophobicContact CZ-CG 3.76Å; F497-Y501 WeakPolarHBondContact O-CD2 3.38Å; F497-Y501 PolarHBondContact O-N 3Å
502N82.7Confident88.2Confident75 Ų7563.3 Ų63.340%0.40133%0.33SS..THydrogen-bonded Turntrans-113.1-8.3-175.4-65.4-8.4000113.3L498 L504 N517L498-N502 PolarHBondContact O-N 3.46Å; N502-L504 HydrophobicContact CB-CB 4.31Å; N502-L504 HydrophobicContact CB-CD1 3.65Å; N502-L504 HydrophobicContact CB-CG 3.81Å; N502-L504 PolarHBondContact O-N 3.27Å; N502-N517 PolarHBondContact ND2-OD1 3.07Å
503G86Confident88.1Confident63 Ų6368.2 Ų68.265%0.64935%0.347SS*.  trans66.520.2-173.400000113.3L498 P499L498-G503 PolarHBondContact O-N 3.38Å; P499-G503 WeakPolarHBondContact O-CA 3.17Å; P499-G503 PolarHBondContact O-N 2.95Å
504L88.3Confident88.3Confident66 Ų6667.5 Ų67.535%0.34634%0.344SS..  trans-103.5144.8-175.1-62.3171.4000110.7L498 P499 N502 L509L498-L504 CarbonylContact C-O 3.3Å; L498-L504 VanDerWaalsContact C-O 3.28Å; L498-L504 PolarHBondContact O-N 3.42Å; P499-L504 WeakPolarHBondContact CA-O 3.33Å; P499-L504 WeakPolarHBondContact CD-O 3.37Å; P499-L504 WeakPolarHBondContact CG-O 3.36Å; P499-L504 VanDerWaalsContact N-O 3.12Å; N502-L504 HydrophobicContact CB-CB 4.31Å; N502-L504 HydrophobicContact CB-CD1 3.65Å; N502-L504 HydrophobicContact CB-CG 3.81Å; N502-L504 PolarHBondContact O-N 3.27Å; L504-L509 HydrophobicContact CB-CD2 4.36Å; L504-L509 HydrophobicContact CD1-CD2 3.97Å
505Q88.7Confident88.2Confident107 Ų10767.7 Ų67.750%0.534%0.344SS..  trans-95.3143.9166.8-63.1-65.2-31.300109.6D507 D508Q505-D507 VanDerWaalsContact C-N 3.29Å; Q505-D507 PolarHBondContact O-N 3.06Å; Q505-D508 HydrophobicContact CB-CB 4.47Å; Q505-D508 WeakPolarHBondContact CB-OD2 3.36Å; Q505-D508 PolarHBondContact O-N 3.41Å
506V88.3Confident88.1Confident10 Ų1069.9 Ų69.96%0.06135%0.354CS..G310 helixtrans-65.7-35.5-174.1-174.50000111.8E495 L498 D508 L509 F514E495-V506 HydrophobicContact CB-CG2 3.85Å; E495-V506 HydrophobicContact CG-CB 4.3Å; E495-V506 HydrophobicContact CG-CG1 4.26Å; E495-V506 HydrophobicContact CG-CG2 3.56Å; L498-V506 HydrophobicContact CB-CG2 4.36Å; L498-V506 HydrophobicContact CD1-CB 4.13Å; L498-V506 HydrophobicContact CD1-CG1 4.34Å; L498-V506 HydrophobicContact CD1-CG2 3.37Å; L498-V506 HydrophobicContact CG-CG2 4.46Å; V506-D508 VanDerWaalsContact C-N 3.26Å; V506-D508 PolarHBondContact O-N 2.94Å; V506-L509 PolarHBondContact O-N 3.38Å; V506-F514 HydrophobicContact CG1-CD2 3.99Å; V506-F514 HydrophobicContact CG1-CE2 3.62Å
507D88.4Confident88.3Confident97 Ų9766.4 Ų66.452%0.51934%0.339SS..G310 helixtrans-72.5-17.1-179.5-69.6-10000112.8R465 R466 Q505R465-D507 IonicContact CZ-OD1 3.79Å; R465-D507 IonicContact NH2-OD1 3.85Å; R465-D507 PolarHBondContact NH2-OD1 3.49Å; R466-D507 IonicContact NH2-OD2 2.7Å; Q505-D507 VanDerWaalsContact C-N 3.29Å; Q505-D507 PolarHBondContact O-N 3.06Å
508D88.7Confident88.5Confident124 Ų12466.1 Ų66.166%0.66334%0.338SS*.G310 helixtrans-89.7-3.1179.5-63.6-23.6000112.9Q505 V506Q505-D508 HydrophobicContact CB-CB 4.47Å; Q505-D508 WeakPolarHBondContact CB-OD2 3.36Å; Q505-D508 PolarHBondContact O-N 3.41Å; V506-D508 VanDerWaalsContact C-N 3.26Å; V506-D508 PolarHBondContact O-N 2.94Å
509L88.5Confident88.5Confident16 Ų1669.9 Ų69.98%0.08436%0.356CS..  trans-90.8129.1-175.9-62.1174.3000111.7L498 L504 V506 R513 F514L498-L509 HydrophobicContact CD1-CD1 3.69Å; L498-L509 HydrophobicContact CD2-CD1 4.21Å; L504-L509 HydrophobicContact CB-CD2 4.36Å; L504-L509 HydrophobicContact CD1-CD2 3.97Å; V506-L509 PolarHBondContact O-N 3.38Å; L509-R513 HydrophobicContact CB-CB 4.48Å; L509-R513 HydrophobicContact CD2-CB 4.23Å; L509-F514 HydrophobicContact CB-CB 4.3Å
510D88.1Confident88.5Confident102 Ų10269.3 Ų69.355%0.54536%0.355SS..  trans-62.4158.1163.9-62.2-42.1000111S512 R513 F514D510-S512 VanDerWaalsContact C-N 3.34Å; D510-S512 PolarHBondContact O-N 3.17Å; D510-R513 PolarHBondContact O-N 2.95Å; D510-R513 VanDerWaalsContact O-N 3.08Å; D510-F514 PolarHBondContact O-N 3.48Å
511E88.3Confident88.9Confident95 Ų9562.2 Ų62.244%0.44433%0.328SS..Hα-helixtrans-52.9-46-176.8-174.7171.116800113.5N458 S460 F514 Y515N458-E511 PolarHBondContact ND2-OE2 3.46Å; S460-E511 WeakPolarHBondContact OG-CG 3.27Å; E511-F514 PolarHBondContact O-N 3.46Å; E511-Y515 HydrophobicContact CG-CD2 3.99Å; E511-Y515 HydrophobicContact CG-CE2 3.55Å; E511-Y515 WeakPolarHBondContact O-CD2 3.39Å; E511-Y515 PolarHBondContact O-N 2.9Å
512S87.1Confident89.4Confident68 Ų6858.4 Ų58.448%0.47631%0.314SS..Hα-helixtrans-62.8-46.2177.553.30000112.3D510 F514 Y515 E516D510-S512 VanDerWaalsContact C-N 3.34Å; D510-S512 PolarHBondContact O-N 3.17Å; S512-F514 VanDerWaalsContact C-N 3.32Å; S512-F514 PolarHBondContact O-N 3.42Å; S512-Y515 PolarHBondContact O-N 3.49Å; S512-E516 WeakPolarHBondContact O-CB 3.31Å; S512-E516 WeakPolarHBondContact O-CG 3.37Å; S512-E516 PolarHBondContact O-N 2.87Å
513R89.5Confident89.6Confident145 Ų14559.1 Ų59.155%0.54733%0.325SS..Hα-helixtrans-65.7-35.6179.4-70.4-176.7173.8-1801.1111.9L509 D510 N517L509-R513 HydrophobicContact CB-CB 4.48Å; L509-R513 HydrophobicContact CD2-CB 4.23Å; D510-R513 PolarHBondContact O-N 2.95Å; D510-R513 VanDerWaalsContact O-N 3.08Å; R513-N517 WeakPolarHBondContact O-CB 3.29Å; R513-N517 PolarHBondContact O-N 3.18Å; R513-N517 PolarHBondContact O-ND2 2.99Å
514F93.1Very high89.7Confident0 Ų059.7 Ų59.70%031%0.31CS..Hα-helixtrans-58.3-51.6175.4178.6-85000110.4L459 L491 F494 V506 L509 D510 E511 S512 N517 L518L459-F514 HydrophobicContact CB-CE1 3.89Å; L459-F514 HydrophobicContact CB-CZ 4.04Å; L459-F514 WeakPolarHBondContact O-CZ 3.37Å; L491-F514 HydrophobicContact CD1-CZ 4.2Å; F494-F514 HydrophobicContact CD1-CE2 4.36Å; F494-F514 HydrophobicContact CD1-CZ 4.35Å; F494-F514 HydrophobicContact CE1-CD2 4.11Å; F494-F514 HydrophobicContact CE1-CE1 4.46Å; F494-F514 AromaticContact CE1-CE2 3.66Å; F494-F514 HydrophobicContact CE1-CE2 3.66Å; F494-F514 AromaticContact CE1-CZ 3.84Å; F494-F514 HydrophobicContact CE1-CZ 3.84Å; V506-F514 HydrophobicContact CG1-CD2 3.99Å; V506-F514 HydrophobicContact CG1-CE2 3.62Å; L509-F514 HydrophobicContact CB-CB 4.3Å; D510-F514 PolarHBondContact O-N 3.48Å; E511-F514 PolarHBondContact O-N 3.46Å; S512-F514 VanDerWaalsContact C-N 3.32Å; S512-F514 PolarHBondContact O-N 3.42Å; F514-N517 PolarHBondContact O-N 3.19Å; F514-L518 HydrophobicContact CE1-CD2 4.38Å; F514-L518 WeakPolarHBondContact O-CB 3.28Å; F514-L518 PolarHBondContact O-N 3.45Å
515Y92.4Very high89.4Confident4 Ų462.2 Ų62.22%0.01633%0.328CS..Hα-helixtrans-73.9-31.6-177.3-65-58.5000113.8N458 L459 E511 S512 L518 Q519 V557 R558 V560N458-Y515 PolarHBondContact OD1-OH 3Å; L459-Y515 HydrophobicContact CB-CE1 4.47Å; L459-Y515 PolarHBondContact N-OH 3.38Å; L459-Y515 VanDerWaalsContact N-OH 3.1Å; E511-Y515 HydrophobicContact CG-CD2 3.99Å; E511-Y515 HydrophobicContact CG-CE2 3.55Å; E511-Y515 WeakPolarHBondContact O-CD2 3.39Å; E511-Y515 PolarHBondContact O-N 2.9Å; S512-Y515 PolarHBondContact O-N 3.49Å; Y515-L518 HydrophobicContact CD1-CD2 4.17Å; Y515-L518 PolarHBondContact O-N 3.01Å; Y515-Q519 WeakPolarHBondContact O-CB 3.3Å; Y515-Q519 PolarHBondContact O-N 3.4Å; Y515-V557 HydrophobicContact CD1-CG1 4.46Å; Y515-V557 HydrophobicContact CG-CG1 4.31Å; Y515-R558 WeakPolarHBondContact CE2-O 3.39Å; Y515-V560 HydrophobicContact CE1-CG2 4.12Å
516E89.6Confident89Confident98 Ų9860.9 Ų60.946%0.45832%0.322SS..Hα-helixtrans-61.3-47.1170.5-75.9172.9-174.600111.6S512 L518 Q519 A520S512-E516 WeakPolarHBondContact O-CB 3.31Å; S512-E516 WeakPolarHBondContact O-CG 3.37Å; S512-E516 PolarHBondContact O-N 2.87Å; E516-L518 VanDerWaalsContact C-N 3.34Å; E516-Q519 PolarHBondContact O-N 3Å; E516-A520 PolarHBondContact O-N 3.5Å
517N91.6Very high88.9Confident26 Ų2661 Ų6114%0.13932%0.322CS..Hα-helixtrans-68.4-33.8176.5-76.6-70.8000112.2F494 L498 N502 R513 F514 A520 F521F494-N517 HydrophobicContact CE2-CB 4.23Å; F494-N517 HydrophobicContact CZ-CB 4.11Å; L498-N517 HydrophobicContact CD2-CB 3.89Å; N502-N517 PolarHBondContact ND2-OD1 3.07Å; R513-N517 WeakPolarHBondContact O-CB 3.29Å; R513-N517 PolarHBondContact O-N 3.18Å; R513-N517 PolarHBondContact O-ND2 2.99Å; F514-N517 PolarHBondContact O-N 3.19Å; N517-A520 PolarHBondContact O-N 3.18Å; N517-F521 WeakPolarHBondContact O-CB 3.3Å; N517-F521 PolarHBondContact O-N 3.42Å
518L93.3Very high88.7Confident0 Ų058 Ų580%031%0.309CS..Hα-helixtrans-63-44.9173.4177.756.6000111.2W490 F494 F514 Y515 E516 A520 F521 L522 L536 V560W490-L518 HydrophobicContact CE3-CD1 3.78Å; W490-L518 HydrophobicContact CH2-CD1 4.11Å; W490-L518 HydrophobicContact CH2-CD2 3.89Å; W490-L518 HydrophobicContact CZ3-CD1 3.31Å; W490-L518 HydrophobicContact CZ3-CD2 3.94Å; W490-L518 HydrophobicContact CZ3-CG 4.27Å; F494-L518 HydrophobicContact CD2-CD1 4.29Å; F494-L518 HydrophobicContact CE2-CB 4.29Å; F494-L518 HydrophobicContact CE2-CD1 4.46Å; F494-L518 HydrophobicContact CG-CD1 4.35Å; F494-L518 HydrophobicContact CZ-CB 4.07Å; F514-L518 HydrophobicContact CE1-CD2 4.38Å; F514-L518 WeakPolarHBondContact O-CB 3.28Å; F514-L518 PolarHBondContact O-N 3.45Å; Y515-L518 HydrophobicContact CD1-CD2 4.17Å; Y515-L518 PolarHBondContact O-N 3.01Å; E516-L518 VanDerWaalsContact C-N 3.34Å; L518-A520 VanDerWaalsContact C-N 3.29Å; L518-A520 PolarHBondContact O-N 2.98Å; L518-F521 HydrophobicContact CD1-CD1 4.1Å; L518-F521 WeakPolarHBondContact O-CB 3.41Å; L518-F521 PolarHBondContact O-N 3.29Å; L518-L522 HydrophobicContact CD1-CD1 4.21Å; L518-L522 HydrophobicContact CD1-CG 4.14Å; L518-L522 HydrophobicContact CG-CD1 4.23Å; L518-L522 WeakPolarHBondContact O-CG 3.31Å; L518-L522 PolarHBondContact O-N 3.05Å; L518-L536 HydrophobicContact CD2-CD2 4.11Å; L518-L536 HydrophobicContact CG-CD2 4.49Å; L518-V560 HydrophobicContact CD2-CG2 3.74Å
519Q90.7Very high88.5Confident78 Ų7856.5 Ų56.536%0.36429%0.294SS..Hα-helixtrans-60.6-41.7175.7-170.7178.814.500111.3Y515 E516 L522 S523 L536 V557Y515-Q519 WeakPolarHBondContact O-CB 3.3Å; Y515-Q519 PolarHBondContact O-N 3.4Å; E516-Q519 PolarHBondContact O-N 3Å; Q519-L522 PolarHBondContact O-N 2.82Å; Q519-S523 PolarHBondContact O-N 3.43Å; Q519-L536 HydrophobicContact CG-CD1 4.44Å; Q519-V557 HydrophobicContact CB-CG2 4.24Å; Q519-V557 HydrophobicContact CG-CG2 4.3Å
520A90Very high88.6Confident38 Ų3856 Ų5631%0.31429%0.291SS..Hα-helixtrans-60.9-49.417400000111.4E516 N517 L518 L522 S523 F524E516-A520 PolarHBondContact O-N 3.5Å; N517-A520 PolarHBondContact O-N 3.18Å; L518-A520 VanDerWaalsContact C-N 3.29Å; L518-A520 PolarHBondContact O-N 2.98Å; A520-L522 VanDerWaalsContact C-N 3.35Å; A520-L522 PolarHBondContact O-N 2.94Å; A520-S523 WeakPolarHBondContact O-CA 3.43Å; A520-S523 WeakPolarHBondContact O-CB 3.49Å; A520-S523 PolarHBondContact O-N 3.25Å; A520-S523 PolarHBondContact O-OG 3.25Å; A520-F524 VanDerWaalsContact O-CD2 3.24Å; A520-F524 WeakPolarHBondContact O-CD2 3.46Å; A520-F524 PolarHBondContact O-N 2.89Å
521F92.2Very high88.6Confident0 Ų053.9 Ų53.90%028%0.284CS..Hα-helixtrans-53.1-48.1176.5167.5-101.3000112.5E493 F494 F497 N517 L518 S523 F524 F527 F530E493-F521 HydrophobicContact CB-CZ 4.14Å; F494-F521 HydrophobicContact CB-CD1 4.25Å; F494-F521 HydrophobicContact CB-CE1 4.14Å; F494-F521 HydrophobicContact CB-CE2 4.42Å; F494-F521 HydrophobicContact CB-CG 4.46Å; F494-F521 HydrophobicContact CB-CZ 4.22Å; F494-F521 HydrophobicContact CD2-CB 3.64Å; F494-F521 AromaticContact CD2-CD1 3.99Å; F494-F521 HydrophobicContact CD2-CD1 3.99Å; F494-F521 HydrophobicContact CD2-CD2 4.07Å; F494-F521 AromaticContact CD2-CG 3.64Å; F494-F521 HydrophobicContact CD2-CG 3.64Å; F494-F521 HydrophobicContact CE2-CB 3.9Å; F494-F521 HydrophobicContact CE2-CG 4.41Å; F494-F521 HydrophobicContact CG-CG 4.5Å; F497-F521 HydrophobicContact CB-CD2 3.92Å; F497-F521 HydrophobicContact CB-CE2 4.03Å; F497-F521 HydrophobicContact CD1-CB 4.28Å; F497-F521 AromaticContact CD1-CD2 3.84Å; F497-F521 HydrophobicContact CD1-CD2 3.84Å; F497-F521 HydrophobicContact CD2-CD2 4.01Å; F497-F521 HydrophobicContact CD2-CE2 4.5Å; F497-F521 HydrophobicContact CE1-CB 4.26Å; F497-F521 HydrophobicContact CE1-CD2 4.39Å; F497-F521 AromaticContact CG-CD2 3.65Å; F497-F521 HydrophobicContact CG-CD2 3.65Å; F497-F521 HydrophobicContact CG-CE2 4.2Å; N517-F521 WeakPolarHBondContact O-CB 3.3Å; N517-F521 PolarHBondContact O-N 3.42Å; L518-F521 HydrophobicContact CD1-CD1 4.1Å; L518-F521 WeakPolarHBondContact O-CB 3.41Å; L518-F521 PolarHBondContact O-N 3.29Å; F521-S523 PolarHBondContact O-N 3.03Å; F521-F524 WeakPolarHBondContact O-CB 3.27Å; F521-F524 PolarHBondContact O-N 2.7Å; F521-F527 HydrophobicContact CD2-CB 3.98Å; F521-F527 HydrophobicContact CD2-CD1 4.36Å; F521-F527 AromaticContact CD2-CD2 3.79Å; F521-F527 HydrophobicContact CD2-CD2 3.79Å; F521-F527 HydrophobicContact CD2-CE2 4.38Å; F521-F527 AromaticContact CD2-CG 3.78Å; F521-F527 HydrophobicContact CD2-CG 3.78Å; F521-F527 HydrophobicContact CE1-CB 4.18Å; F521-F527 HydrophobicContact CE2-CB 3.58Å; F521-F527 AromaticContact CE2-CD1 3.35Å; F521-F527 HydrophobicContact CE2-CD1 3.35Å; F521-F527 AromaticContact CE2-CD2 3.56Å; F521-F527 HydrophobicContact CE2-CD2 3.56Å; F521-F527 AromaticContact CE2-CE1 3.84Å; F521-F527 HydrophobicContact CE2-CE1 3.84Å; F521-F527 HydrophobicContact CE2-CE2 4.05Å; F521-F527 AromaticContact CE2-CG 3.18Å; F521-F527 HydrophobicContact CE2-CG 3.18Å; F521-F527 HydrophobicContact CE2-CZ 4.17Å; F521-F527 HydrophobicContact CG-CB 4.47Å; F521-F527 HydrophobicContact CZ-CB 3.69Å; F521-F527 AromaticContact CZ-CD1 3.61Å; F521-F527 HydrophobicContact CZ-CD1 3.61Å; F521-F527 HydrophobicContact CZ-CD2 4.47Å; F521-F527 HydrophobicContact CZ-CE1 4.36Å; F521-F527 AromaticContact CZ-CG 3.67Å; F521-F527 HydrophobicContact CZ-CG 3.67Å; F521-F527 WeakPolarHBondContact O-CB 3.46Å; F521-F530 HydrophobicContact CE1-CD2 4.3Å; F521-F530 HydrophobicContact CZ-CD2 4.04Å
522L91.4Very high88.6Confident14 Ų1453.3 Ų53.37%0.07330%0.295CS..Hα-helixtrans-67.7-19179.5-63.4174.6000113.2L518 Q519 A520 S528 F530 V534 L536L518-L522 HydrophobicContact CD1-CD1 4.21Å; L518-L522 HydrophobicContact CD1-CG 4.14Å; L518-L522 HydrophobicContact CG-CD1 4.23Å; L518-L522 WeakPolarHBondContact O-CG 3.31Å; L518-L522 PolarHBondContact O-N 3.05Å; Q519-L522 PolarHBondContact O-N 2.82Å; A520-L522 VanDerWaalsContact C-N 3.35Å; A520-L522 PolarHBondContact O-N 2.94Å; L522-S528 WeakPolarHBondContact O-CA 2.98Å; L522-F530 HydrophobicContact CD2-CB 3.99Å; L522-V534 HydrophobicContact CD1-CB 4.02Å; L522-V534 HydrophobicContact CD1-CG1 4.22Å; L522-V534 HydrophobicContact CD1-CG2 4.44Å; L522-V534 HydrophobicContact CD2-CG2 4.25Å; L522-L536 HydrophobicContact CD1-CD1 4.13Å; L522-L536 HydrophobicContact CD1-CD2 4.14Å; L522-L536 HydrophobicContact CD1-CG 4.32Å
523S87.9Confident88.9Confident91 Ų9151.1 Ų51.164%0.63628%0.278SS*.Hα-helixtrans-87.5-17175.576.80000114.1Q519 A520 F521Q519-S523 PolarHBondContact O-N 3.43Å; A520-S523 WeakPolarHBondContact O-CA 3.43Å; A520-S523 WeakPolarHBondContact O-CB 3.49Å; A520-S523 PolarHBondContact O-N 3.25Å; A520-S523 PolarHBondContact O-OG 3.25Å; F521-S523 PolarHBondContact O-N 3.03Å
524F87.2Confident89.2Confident75 Ų7544.6 Ų44.633%0.32926%0.255SS..SBendtrans-64137.4175.5-90.4-88.2000110.8F497 A520 F521 E526 F527 S528F497-F524 HydrophobicContact CE2-CD2 4.02Å; F497-F524 HydrophobicContact CE2-CE2 4.12Å; F497-F524 HydrophobicContact CE2-CG 4.3Å; F497-F524 HydrophobicContact CE2-CZ 4.45Å; F497-F524 AromaticContact CZ-CD2 3.68Å; F497-F524 HydrophobicContact CZ-CD2 3.68Å; F497-F524 AromaticContact CZ-CE2 3.51Å; F497-F524 HydrophobicContact CZ-CE2 3.51Å; F497-F524 HydrophobicContact CZ-CG 4.41Å; F497-F524 HydrophobicContact CZ-CZ 4.07Å; A520-F524 VanDerWaalsContact O-CD2 3.24Å; A520-F524 WeakPolarHBondContact O-CD2 3.46Å; A520-F524 PolarHBondContact O-N 2.89Å; F521-F524 WeakPolarHBondContact O-CB 3.27Å; F521-F524 PolarHBondContact O-N 2.7Å; F524-E526 PolarHBondContact O-N 3.29Å; F524-E526 VanDerWaalsContact O-N 3.17Å; F524-F527 HydrophobicContact CB-CD2 4.11Å; F524-F527 CarbonylContact O-C 3.57Å; F524-F527 PolarHBondContact O-N 2.99Å; F524-F527 VanDerWaalsContact O-N 3.09Å; F524-S528 WeakPolarHBondContact O-CB 3.49Å; F524-S528 PolarHBondContact O-N 3.3Å
525T82.1Confident89.2Confident118 Ų11848.6 Ų48.672%0.72428%0.279SS*.THydrogen-bonded Turntrans-56.4-34.7-176.937.70000113.8S528T525-S528 PolarHBondContact O-OG 2.92Å
526E80.1Confident89.2Confident79 Ų7949.7 Ų49.737%0.36929%0.285SS..THydrogen-bonded Turntrans-73.6-31.6-178.4-65.283.2172.600112.3T48 F524T48-E526 HydrophobicContact CG2-CB 3.82Å; T48-E526 HydrophobicContact CG2-CG 4.17Å; F524-E526 PolarHBondContact O-N 3.29Å; F524-E526 VanDerWaalsContact O-N 3.17Å
527F87Confident89.2Confident12 Ų1248.6 Ų48.65%0.05328%0.28CS..THydrogen-bonded Turntrans-111.6-1.8-173.6-58.9-70.8000113.1E493 F497 F521 F524 R529 F530E493-F527 HydrophobicContact CB-CE1 4.41Å; F497-F527 HydrophobicContact CD2-CD2 4.04Å; F497-F527 AromaticContact CD2-CE2 3.48Å; F497-F527 HydrophobicContact CD2-CE2 3.48Å; F497-F527 VanDerWaalsContact CD2-CE2 3.48Å; F497-F527 HydrophobicContact CD2-CZ 4.19Å; F497-F527 HydrophobicContact CE2-CD2 4.34Å; F497-F527 HydrophobicContact CE2-CE2 4.03Å; F497-F527 HydrophobicContact CG-CE2 4.42Å; F521-F527 HydrophobicContact CD2-CB 3.98Å; F521-F527 HydrophobicContact CD2-CD1 4.36Å; F521-F527 AromaticContact CD2-CD2 3.79Å; F521-F527 HydrophobicContact CD2-CD2 3.79Å; F521-F527 HydrophobicContact CD2-CE2 4.38Å; F521-F527 AromaticContact CD2-CG 3.78Å; F521-F527 HydrophobicContact CD2-CG 3.78Å; F521-F527 HydrophobicContact CE1-CB 4.18Å; F521-F527 HydrophobicContact CE2-CB 3.58Å; F521-F527 AromaticContact CE2-CD1 3.35Å; F521-F527 HydrophobicContact CE2-CD1 3.35Å; F521-F527 AromaticContact CE2-CD2 3.56Å; F521-F527 HydrophobicContact CE2-CD2 3.56Å; F521-F527 AromaticContact CE2-CE1 3.84Å; F521-F527 HydrophobicContact CE2-CE1 3.84Å; F521-F527 HydrophobicContact CE2-CE2 4.05Å; F521-F527 AromaticContact CE2-CG 3.18Å; F521-F527 HydrophobicContact CE2-CG 3.18Å; F521-F527 HydrophobicContact CE2-CZ 4.17Å; F521-F527 HydrophobicContact CG-CB 4.47Å; F521-F527 HydrophobicContact CZ-CB 3.69Å; F521-F527 AromaticContact CZ-CD1 3.61Å; F521-F527 HydrophobicContact CZ-CD1 3.61Å; F521-F527 HydrophobicContact CZ-CD2 4.47Å; F521-F527 HydrophobicContact CZ-CE1 4.36Å; F521-F527 AromaticContact CZ-CG 3.67Å; F521-F527 HydrophobicContact CZ-CG 3.67Å; F521-F527 WeakPolarHBondContact O-CB 3.46Å; F524-F527 HydrophobicContact CB-CD2 4.11Å; F524-F527 CarbonylContact O-C 3.57Å; F524-F527 PolarHBondContact O-N 2.99Å; F524-F527 VanDerWaalsContact O-N 3.09Å; F527-R529 PolarHBondContact O-N 3.19Å; F527-F530 HydrophobicContact CB-CD2 4.35Å; F527-F530 HydrophobicContact CD1-CD2 4.3Å; F527-F530 HydrophobicContact CD1-CE2 4.17Å; F527-F530 WeakPolarHBondContact O-CB 3.27Å; F527-F530 PolarHBondContact O-N 3.43Å
528S84.4Confident89Confident35 Ų3552.3 Ų52.325%0.24529%0.293CS..G310 helixtrans-58.7-19.9-179.871.70000113.1L522 F524 T525 F530 S531L522-S528 WeakPolarHBondContact O-CA 2.98Å; F524-S528 WeakPolarHBondContact O-CB 3.49Å; F524-S528 PolarHBondContact O-N 3.3Å; T525-S528 PolarHBondContact O-OG 2.92Å; S528-F530 PolarHBondContact O-N 2.8Å; S528-S531 VanDerWaalsContact O-CB 3.31Å; S528-S531 WeakPolarHBondContact O-CB 3.43Å; S528-S531 PolarHBondContact O-N 3.18Å; S528-S531 VanDerWaalsContact O-N 3.12Å; S528-S531 PolarHBondContact O-OG 3.49Å
529R84Confident88.4Confident93 Ų9355.3 Ų55.335%0.35131%0.311SS..G310 helixtrans-58.3-33.2171.664.7178178.8150.10.5113.1R49 E488 F527 S531R49-R529 PolarHBondContact O-NH1 3.08Å; R49-R529 PolarHBondContact O-NH2 3.15Å; E488-R529 IonicContact OE1-CZ 3.61Å; E488-R529 IonicContact OE1-NH1 2.82Å; E488-R529 PolarHBondContact OE1-NH1 3.4Å; F527-R529 PolarHBondContact O-N 3.19Å; R529-S531 VanDerWaalsContact C-N 3.28Å; R529-S531 PolarHBondContact O-N 3.32Å
530F90.7Very high87.6Confident6 Ų656.8 Ų56.83%0.02633%0.327CS..G310 helixtrans-79.4-9.3178.8-63.6-58000112.8W490 E493 F521 L522 F527 S528 A532 D533 V534W490-F530 HydrophobicContact CB-CB 3.78Å; W490-F530 HydrophobicContact CB-CD1 3.73Å; W490-F530 HydrophobicContact CB-CD2 4.16Å; W490-F530 HydrophobicContact CB-CE1 4.32Å; W490-F530 HydrophobicContact CB-CG 3.64Å; E493-F530 HydrophobicContact CB-CE2 4.17Å; E493-F530 HydrophobicContact CG-CE2 4.04Å; E493-F530 HydrophobicContact CG-CZ 4.1Å; F521-F530 HydrophobicContact CE1-CD2 4.3Å; F521-F530 HydrophobicContact CZ-CD2 4.04Å; L522-F530 HydrophobicContact CD2-CB 3.99Å; F527-F530 HydrophobicContact CB-CD2 4.35Å; F527-F530 HydrophobicContact CD1-CD2 4.3Å; F527-F530 HydrophobicContact CD1-CE2 4.17Å; F527-F530 WeakPolarHBondContact O-CB 3.27Å; F527-F530 PolarHBondContact O-N 3.43Å; S528-F530 PolarHBondContact O-N 2.8Å; F530-A532 PolarHBondContact O-N 3.09Å; F530-D533 WeakPolarHBondContact O-CB 3.4Å; F530-D533 PolarHBondContact O-N 3.35Å; F530-V534 PolarHBondContact O-N 2.85Å
531S88.9Confident86.4Confident57 Ų5760.4 Ų60.440%0.39934%0.337SS..G310 helixtrans-62.7-27.1178.579.40000112.2S528 R529 D533S528-S531 VanDerWaalsContact O-CB 3.31Å; S528-S531 WeakPolarHBondContact O-CB 3.43Å; S528-S531 PolarHBondContact O-N 3.18Å; S528-S531 VanDerWaalsContact O-N 3.12Å; S528-S531 PolarHBondContact O-OG 3.49Å; R529-S531 VanDerWaalsContact C-N 3.28Å; R529-S531 PolarHBondContact O-N 3.32Å; S531-D533 VanDerWaalsContact C-N 3.33Å
532A88.3Confident84.7Confident83 Ų8368.9 Ų68.969%0.68638%0.379SS*.G310 helixtrans-80.9-13.4174.600000113.2F530F530-A532 PolarHBondContact O-N 3.09Å
533D93.1Very high82.9Confident21 Ų2171.8 Ų71.811%0.11240%0.4CS..THydrogen-bonded Turntrans-92.7-9.7179.4-65.6-44.7000112.9F530 S531 F563 R564F530-D533 WeakPolarHBondContact O-CB 3.4Å; F530-D533 PolarHBondContact O-N 3.35Å; S531-D533 VanDerWaalsContact C-N 3.33Å; D533-F563 CarbonylContact O-C 3.57Å; D533-F563 WeakPolarHBondContact O-CA 3.21Å; D533-F563 WeakPolarHBondContact O-CB 3.39Å; D533-R564 HydrophobicContact CB-CB 4.39Å; D533-R564 PolarHBondContact O-N 2.81Å; D533-R564 IonicContact OD1-CZ 2.92Å; D533-R564 IonicContact OD1-NE 3.99Å; D533-R564 PolarHBondContact OD1-NE 3.35Å; D533-R564 IonicContact OD1-NH2 3.81Å; D533-R564 PolarHBondContact OD1-NH2 2.85Å
534V95.3Very high81.3Confident9 Ų970.3 Ų70.36%0.05539%0.394CS..EExtended strand (participates in β ladder)trans-126.7121.8-175.1-172.50000110.4W490 L522 F530 L536 V560 F563W490-V534 HydrophobicContact CD2-CG2 3.59Å; W490-V534 VanDerWaalsContact CE2-CG2 3.48Å; W490-V534 HydrophobicContact CE3-CG2 4.3Å; W490-V534 HydrophobicContact CG-CG2 3.7Å; W490-V534 HydrophobicContact CZ2-CG1 4.37Å; W490-V534 HydrophobicContact CZ2-CG2 4.07Å; L522-V534 HydrophobicContact CD1-CB 4.02Å; L522-V534 HydrophobicContact CD1-CG1 4.22Å; L522-V534 HydrophobicContact CD1-CG2 4.44Å; L522-V534 HydrophobicContact CD2-CG2 4.25Å; F530-V534 PolarHBondContact O-N 2.85Å; V534-L536 HydrophobicContact CG1-CD2 3.78Å; V534-V560 HydrophobicContact CG1-CB 4.47Å; V534-V560 HydrophobicContact CG1-CG1 3.76Å; V534-V560 HydrophobicContact CG1-CG2 3.84Å; V534-F563 HydrophobicContact CG2-CB 4.47Å
535V94Very high79.7Confident83 Ų8374 Ų7450%0.50341%0.412SS..EExtended strand (participates in β ladder)trans-98.9101.4175.4-172.60000109.4S561 A562V535-S561 VanDerWaalsContact CB-OG 3.3Å; V535-S561 WeakPolarHBondContact CB-OG 3.3Å; V535-S561 WeakPolarHBondContact CG1-OG 3.33Å; V535-S561 PolarHBondContact O-N 3.11Å; V535-S561 PolarHBondContact O-OG 2.61Å; V535-A562 PolarHBondContact N-O 3.21Å
536L92.5Very high78.4Confident28 Ų2877.7 Ų77.715%0.14741%0.413CS..EExtended strand (participates in β ladder)trans-74.3134.1178.9-58179.6000111.4L518 Q519 L522 V534 Y538 V557 V560L518-L536 HydrophobicContact CD2-CD2 4.11Å; L518-L536 HydrophobicContact CG-CD2 4.49Å; Q519-L536 HydrophobicContact CG-CD1 4.44Å; L522-L536 HydrophobicContact CD1-CD1 4.13Å; L522-L536 HydrophobicContact CD1-CD2 4.14Å; L522-L536 HydrophobicContact CD1-CG 4.32Å; V534-L536 HydrophobicContact CG1-CD2 3.78Å; L536-Y538 HydrophobicContact CB-CE2 4.11Å; L536-V557 HydrophobicContact CB-CG1 4.12Å; L536-V557 HydrophobicContact CD1-CG1 4.5Å; L536-V557 HydrophobicContact CD1-CG2 4.21Å; L536-V557 HydrophobicContact CD2-CG1 4.12Å; L536-V557 HydrophobicContact CG-CG1 4.47Å; L536-V560 HydrophobicContact CD2-CG2 4.11Å
537E89.5Confident77.5Confident74 Ų7481.5 Ų81.535%0.34644%0.436SS..EExtended strand (participates in β ladder)trans-91.8129.1169.7-173.8-176.5165.400109V557 R558 G559E537-V557 CarbonylContact O-C 3.56Å; E537-R558 HydrophobicContact CG-CB 4.39Å; E537-R558 PolarHBondContact O-N 2.99Å; E537-R558 WeakPolarHBondContact OE1-CD 3.17Å; E537-R558 IonicContact OE1-CZ 3.19Å; E537-R558 IonicContact OE1-NE 3.9Å; E537-R558 IonicContact OE1-NH1 2.85Å; E537-R558 PolarHBondContact OE1-NH1 3.46Å; E537-G559 PolarHBondContact N-O 3.47Å; E537-G559 PolarHBondContact O-N 2.82Å
538Y86.6Confident76.4Confident105 Ų10584.4 Ų84.441%0.41247%0.469SS..EExtended strand (participates in β ladder)trans-103.7143.1177.9-62-86000110.5L536 S555 V557L536-Y538 HydrophobicContact CB-CE2 4.11Å; Y538-S555 WeakPolarHBondContact CD1-OG 3.45Å; Y538-V557 HydrophobicContact CD1-CG2 3.96Å; Y538-V557 HydrophobicContact CE1-CG2 3.63Å
539V80.8Confident75.1Confident63 Ų6388.4 Ų88.438%0.38249%0.488SS..PPolyproline II helixtrans-62.2131.9169.2-177.90000107.9E541 L556 R558V539-E541 PolarHBondContact O-N 3.18Å; V539-E541 VanDerWaalsContact O-N 3.17Å; V539-L556 HydrophobicContact CG2-CB 4.18Å; V539-L556 PolarHBondContact N-O 3.26Å; V539-R558 HydrophobicContact CG2-CB 3.83Å; V539-R558 HydrophobicContact CG2-CG 4.34Å
540P74.7Confident73.6Confident108 Ų10891.2 Ų91.270%0.70150%0.502SS*.PPolyproline II helixtrans-50.5126.6174.7-2532.3000109.9M542P540-M542 PolarHBondContact O-N 3.28Å
541E64.3Low71.8Confident115 Ų11595.6 Ų95.654%0.53753%0.529SS..  trans-59.6103.1175.4-75.5-175.9-152.600108.7V539 S543 S552V539-E541 PolarHBondContact O-N 3.18Å; V539-E541 VanDerWaalsContact O-N 3.17Å; E541-S543 VanDerWaalsContact C-N 3.26Å; E541-S543 PolarHBondContact O-N 3.49Å; E541-S552 VanDerWaalsContact CD-OG 3.25Å; E541-S552 PolarHBondContact OE1-OG 3.25Å; E541-S552 PolarHBondContact OE2-OG 3.45Å
542M55.9Low70Confident178 Ų17896.4 Ų96.488%0.87754%0.535SS*.  trans-71.894.1164.9-173.4160.240.600106P540 A544P540-M542 PolarHBondContact O-N 3.28Å; M542-A544 VanDerWaalsContact C-N 3.26Å; M542-A544 PolarHBondContact O-N 2.88Å
543S54.8Low68.3Low74 Ų74102.5 Ų102.552%0.51754%0.54SS..  trans-62.591.917357.80000108.2E541 E545E541-S543 VanDerWaalsContact C-N 3.26Å; E541-S543 PolarHBondContact O-N 3.49Å; S543-E545 PolarHBondContact O-N 3.03Å
544A54Low66.7Low61 Ų61108.8 Ų108.850%0.50457%0.574SS.*  trans-72.7105.6165.300000106.7M542 R546M542-A544 VanDerWaalsContact C-N 3.26Å; M542-A544 PolarHBondContact O-N 2.88Å; A544-R546 PolarHBondContact O-N 3.39Å
545E52.6Low65.4Low153 Ų153110.2 Ų110.272%0.71559%0.585SS**EExtended strand (participates in β ladder)trans-63.4105.6166-77.1-178.2164.500108S543S543-E545 PolarHBondContact O-N 3.03Å
546R55.3Low64.6Low195 Ų195111.2 Ų111.274%0.73659%0.586SS**EExtended strand (participates in β ladder)trans-110.4112.1169-161.2178.3-165.4-161.13.4107.8A544 G548 N549A544-R546 PolarHBondContact O-N 3.39Å; R546-G548 PolarHBondContact O-N 3.13Å; R546-N549 PolarHBondContact O-N 2.82Å
547N60.1Low64.2Low159 Ų159110.5 Ų110.585%0.8558%0.583SS**THydrogen-bonded Turntrans52.246.4176.5-64-3.8000114.3N549N547-N549 PolarHBondContact O-N 3.4Å
548G63.7Low63.9Low73 Ų73113.9 Ų113.975%0.75359%0.593SS**THydrogen-bonded Turntrans72.1-8.7177.600000115.6R546R546-G548 PolarHBondContact O-N 3.13Å
549N57.9Low64.1Low119 Ų119109.2 Ų109.264%0.63658%0.576SS**EExtended strand (participates in β ladder)trans-98.7113.9173.7-74-11.5000109.3R546 N547 V551R546-N549 PolarHBondContact O-N 2.82Å; N547-N549 PolarHBondContact O-N 3.4Å; N549-V551 PolarHBondContact O-N 2.99Å
550K52.5Low64.8Low151 Ų151106.6 Ų106.666%0.65756%0.561SS**EExtended strand (participates in β ladder)trans-6597.3165-74.6-178.6178.4179.90108.2S552K550-S552 PolarHBondContact O-N 2.78Å
551V52.1Low65.6Low98 Ų98103.8 Ų103.859%0.59454%0.543SS*.  trans-81.197.6166.9-178.60000106.4N549 R553N549-V551 PolarHBondContact O-N 2.99Å; V551-R553 PolarHBondContact O-N 3.44Å; V551-R553 VanDerWaalsContact O-N 3.08Å
552S51.6Low67.1Low75 Ų7599.1 Ų99.152%0.52452%0.524SS..  trans-63.3108.5168178.80000107.1E541 K550E541-S552 VanDerWaalsContact CD-OG 3.25Å; E541-S552 PolarHBondContact OE1-OG 3.25Å; E541-S552 PolarHBondContact OE2-OG 3.45Å; K550-S552 PolarHBondContact O-N 2.78Å
553R53.4Low69.1Low210 Ų21090.8 Ų90.879%0.79248%0.483SS*.  trans-67.4144.3168.7-104.4-179.7174.3143.2-3.5107.4V551 S555V551-R553 PolarHBondContact O-N 3.44Å; V551-R553 VanDerWaalsContact O-N 3.08Å; R553-S555 PolarHBondContact O-N 3.33Å
554N58.6Low71.1Confident154 Ų15490.8 Ų90.882%0.82447%0.472SS*.  trans-43.6118.1167.8-71.2-1.2000108.9L556N554-L556 PolarHBondContact O-N 2.85Å
555S67.8Low73.1Confident39 Ų3988 Ų8827%0.27345%0.448SS..  trans-59106.7178.954.10000108.5Y538 R553 V557Y538-S555 WeakPolarHBondContact CD1-OG 3.45Å; R553-S555 PolarHBondContact O-N 3.33Å; S555-V557 PolarHBondContact O-N 3.26Å
556L77.9Confident75.1Confident103 Ų10382 Ų8254%0.53942%0.421SS..  trans-64.6131.5177.7-71.7168000108.8V539 N554 R558V539-L556 HydrophobicContact CG2-CB 4.18Å; V539-L556 PolarHBondContact N-O 3.26Å; N554-L556 PolarHBondContact O-N 2.85Å; L556-R558 PolarHBondContact O-N 3.49Å
557V84Confident77Confident13 Ų1372.7 Ų72.78%0.07939%0.386CS..EExtended strand (participates in β ladder)trans-74.2119.5174-179.40000108Y515 Q519 L536 E537 Y538 S555Y515-V557 HydrophobicContact CD1-CG1 4.46Å; Y515-V557 HydrophobicContact CG-CG1 4.31Å; Q519-V557 HydrophobicContact CB-CG2 4.24Å; Q519-V557 HydrophobicContact CG-CG2 4.3Å; L536-V557 HydrophobicContact CB-CG1 4.12Å; L536-V557 HydrophobicContact CD1-CG1 4.5Å; L536-V557 HydrophobicContact CD1-CG2 4.21Å; L536-V557 HydrophobicContact CD2-CG1 4.12Å; L536-V557 HydrophobicContact CG-CG1 4.47Å; E537-V557 CarbonylContact O-C 3.56Å; Y538-V557 HydrophobicContact CD1-CG2 3.96Å; Y538-V557 HydrophobicContact CE1-CG2 3.63Å; S555-V557 PolarHBondContact O-N 3.26Å
558R84.5Confident78.6Confident146 Ų14665.1 Ų65.155%0.55135%0.345SS*.EExtended strand (participates in β ladder)trans-82-34.8178.4-172.8-178.6175.7-162.34.6112Y515 E537 V539 L556Y515-R558 WeakPolarHBondContact CE2-O 3.39Å; E537-R558 HydrophobicContact CG-CB 4.39Å; E537-R558 PolarHBondContact O-N 2.99Å; E537-R558 WeakPolarHBondContact OE1-CD 3.17Å; E537-R558 IonicContact OE1-CZ 3.19Å; E537-R558 IonicContact OE1-NE 3.9Å; E537-R558 IonicContact OE1-NH1 2.85Å; E537-R558 PolarHBondContact OE1-NH1 3.46Å; V539-R558 HydrophobicContact CG2-CB 3.83Å; V539-R558 HydrophobicContact CG2-CG 4.34Å; L556-R558 PolarHBondContact O-N 3.49Å
559G90.3Very high80Confident6 Ų661.7 Ų61.76%0.06231%0.31CS..EExtended strand (participates in β ladder)trans176.3-167.8-175.600000113.8E537E537-G559 PolarHBondContact N-O 3.47Å; E537-G559 PolarHBondContact O-N 2.82Å
560V94.1Very high81.6Confident9 Ų959.7 Ų59.76%0.05530%0.295CS..EExtended strand (participates in β ladder)trans-109.4117.3173.3177.50000108.5P456 L459 Y515 L518 V534 L536 A562 F563P456-V560 HydrophobicContact CG-CB 4.49Å; P456-V560 HydrophobicContact CG-CG1 4.2Å; P456-V560 VanDerWaalsContact CG-O 3.32Å; P456-V560 WeakPolarHBondContact CG-O 3.19Å; L459-V560 HydrophobicContact CD1-CB 3.76Å; L459-V560 HydrophobicContact CD1-CG1 4.16Å; L459-V560 HydrophobicContact CD1-CG2 3.75Å; Y515-V560 HydrophobicContact CE1-CG2 4.12Å; L518-V560 HydrophobicContact CD2-CG2 3.74Å; V534-V560 HydrophobicContact CG1-CB 4.47Å; V534-V560 HydrophobicContact CG1-CG1 3.76Å; V534-V560 HydrophobicContact CG1-CG2 3.84Å; L536-V560 HydrophobicContact CD2-CG2 4.11Å; V560-A562 WeakPolarHBondContact CG1-O 3.32Å; V560-F563 HydrophobicContact CG1-CB 4.16Å; V560-F563 HydrophobicContact CG1-CD1 4.32Å
561S93.1Very high83.3Confident48 Ų4856.1 Ų56.134%0.33628%0.284SS..EExtended strand (participates in β ladder)trans-73.6-42.7178.763.20000111.8P456 V535P456-S561 WeakPolarHBondContact CD-O 3.24Å; V535-S561 VanDerWaalsContact CB-OG 3.3Å; V535-S561 WeakPolarHBondContact CB-OG 3.3Å; V535-S561 WeakPolarHBondContact CG1-OG 3.33Å; V535-S561 PolarHBondContact O-N 3.11Å; V535-S561 PolarHBondContact O-OG 2.61Å
562A96.2Very high85.1Confident17 Ų1751.5 Ų51.514%0.1426%0.255CS..EExtended strand (participates in β ladder)trans-154.4154.2176.100000110F453 V535 V560F453-A562 VanDerWaalsContact O-CA 3.23Å; F453-A562 WeakPolarHBondContact O-CA 3.44Å; V535-A562 PolarHBondContact N-O 3.21Å; V560-A562 WeakPolarHBondContact CG1-O 3.32Å
563F97.3Very high86.7Confident3 Ų349 Ų491%0.01324%0.239CC..EExtended strand (participates in β ladder)trans-143.3157.7169.972.6-100.1000112.3T452 F453 P456 L459 I468 F489 W490 D533 V534 V560 L565T452-F563 CarbonylContact C-O 3.59Å; T452-F563 WeakPolarHBondContact CA-O 3.45Å; T452-F563 WeakPolarHBondContact CG2-O 3.49Å; F453-F563 HydrophobicContact CB-CD1 4.06Å; F453-F563 HydrophobicContact CB-CD2 4.39Å; F453-F563 HydrophobicContact CB-CE1 3.69Å; F453-F563 HydrophobicContact CB-CE2 4.01Å; F453-F563 HydrophobicContact CB-CG 4.4Å; F453-F563 HydrophobicContact CB-CZ 3.63Å; F453-F563 HydrophobicContact CD1-CE1 4.47Å; F453-F563 AromaticContact CD1-CZ 4Å; F453-F563 HydrophobicContact CD1-CZ 4Å; F453-F563 HydrophobicContact CD2-CD2 4.38Å; F453-F563 HydrophobicContact CD2-CE1 4.49Å; F453-F563 AromaticContact CD2-CE2 3.52Å; F453-F563 HydrophobicContact CD2-CE2 3.52Å; F453-F563 AromaticContact CD2-CZ 3.57Å; F453-F563 HydrophobicContact CD2-CZ 3.57Å; F453-F563 HydrophobicContact CE2-CE2 4.19Å; F453-F563 HydrophobicContact CE2-CZ 4.23Å; F453-F563 AromaticContact CG-CE1 3.99Å; F453-F563 HydrophobicContact CG-CE1 3.99Å; F453-F563 AromaticContact CG-CE2 3.85Å; F453-F563 HydrophobicContact CG-CE2 3.85Å; F453-F563 AromaticContact CG-CZ 3.45Å; F453-F563 HydrophobicContact CG-CZ 3.45Å; F453-F563 VanDerWaalsContact CG-CZ 3.45Å; F453-F563 PolarHBondContact N-O 2.95Å; F453-F563 PolarHBondContact O-N 2.92Å; F453-F563 VanDerWaalsContact O-N 3.08Å; P456-F563 HydrophobicContact CB-CD1 3.62Å; P456-F563 HydrophobicContact CB-CE1 3.37Å; P456-F563 HydrophobicContact CG-CD1 4Å; P456-F563 HydrophobicContact CG-CE1 4.27Å; L459-F563 HydrophobicContact CD1-CD1 4.27Å; L459-F563 HydrophobicContact CD1-CE1 4.42Å; L459-F563 HydrophobicContact CD2-CE1 4.28Å; I468-F563 HydrophobicContact CD1-CE1 4.36Å; I468-F563 HydrophobicContact CG2-CZ 3.93Å; F489-F563 HydrophobicContact CD2-CE2 4.4Å; F489-F563 HydrophobicContact CE2-CD2 4.01Å; F489-F563 AromaticContact CE2-CE2 3.48Å; F489-F563 HydrophobicContact CE2-CE2 3.48Å; F489-F563 VanDerWaalsContact CE2-CE2 3.48Å; F489-F563 HydrophobicContact CE2-CZ 4.04Å; F489-F563 HydrophobicContact CZ-CE2 4.05Å; F489-F563 HydrophobicContact CZ-CZ 4.19Å; W490-F563 HydrophobicContact CZ2-CB 4.22Å; W490-F563 HydrophobicContact CZ2-CD1 4.23Å; W490-F563 HydrophobicContact CZ2-CG 4.16Å; W490-F563 AromaticContact NE1-CD2 3.46Å; W490-F563 AromaticContact NE1-CG 3.5Å; D533-F563 CarbonylContact O-C 3.57Å; D533-F563 WeakPolarHBondContact O-CA 3.21Å; D533-F563 WeakPolarHBondContact O-CB 3.39Å; V534-F563 HydrophobicContact CG2-CB 4.47Å; V560-F563 HydrophobicContact CG1-CB 4.16Å; V560-F563 HydrophobicContact CG1-CD1 4.32Å; F563-L565 HydrophobicContact CD2-CD2 4.33Å; F563-L565 HydrophobicContact CE2-CD2 3.75Å
564R96.4Very high88.2Confident74 Ų7442.9 Ų42.928%0.27922%0.222SC..EExtended strand (participates in β ladder)trans-114.1149.5175.8-174.417868.1162.41.8110.6Q450 V451 D533Q450-R564 HydrophobicContact CB-CG 4.32Å; Q450-R564 VanDerWaalsContact CD-NH1 3.25Å; V451-R564 CarbonylContact O-C 3.54Å; V451-R564 WeakPolarHBondContact O-CA 3.31Å; D533-R564 HydrophobicContact CB-CB 4.39Å; D533-R564 PolarHBondContact O-N 2.81Å; D533-R564 IonicContact OD1-CZ 2.92Å; D533-R564 IonicContact OD1-NE 3.99Å; D533-R564 PolarHBondContact OD1-NE 3.35Å; D533-R564 IonicContact OD1-NH2 3.81Å; D533-R564 PolarHBondContact OD1-NH2 2.85Å
565L95.7Very high89.4Confident2 Ų236 Ų361%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-134161166.163.5142.3000109.6V451 F453 V472 L487 F489 F563 V567V451-L565 HydrophobicContact CB-CD1 4.43Å; V451-L565 HydrophobicContact CB-CD2 4Å; V451-L565 HydrophobicContact CB-CG 3.99Å; V451-L565 HydrophobicContact CG1-CD2 4.19Å; V451-L565 PolarHBondContact N-O 2.96Å; V451-L565 WeakPolarHBondContact O-CD2 3.28Å; V451-L565 PolarHBondContact O-N 3.31Å; F453-L565 HydrophobicContact CD2-CD2 3.59Å; F453-L565 HydrophobicContact CE2-CD2 3.44Å; F453-L565 VanDerWaalsContact CE2-CD2 3.44Å; V472-L565 HydrophobicContact CB-CD1 4.47Å; V472-L565 HydrophobicContact CG1-CD1 3.82Å; V472-L565 HydrophobicContact CG2-CD1 3.9Å; V472-L565 HydrophobicContact CG2-CD2 4.44Å; L487-L565 HydrophobicContact CD1-CD1 3.54Å; F489-L565 HydrophobicContact CB-CB 4.34Å; F489-L565 HydrophobicContact CD2-CB 3.93Å; F489-L565 HydrophobicContact CG-CB 4.39Å; F563-L565 HydrophobicContact CD2-CD2 4.33Å; F563-L565 HydrophobicContact CE2-CD2 3.75Å; L565-V567 HydrophobicContact CD1-CG2 3.73Å
566M94.8Very high90.3Very high28 Ų2838.6 Ų38.614%0.13820%0.197CC..EExtended strand (participates in β ladder)trans-109.4129.1175.2-50.2-64.2-66.500109.6Q448 V449 Q450 L487 E488Q448-M566 HydrophobicContact CB-CB 4.24Å; Q448-M566 HydrophobicContact CB-CE 3.67Å; Q448-M566 HydrophobicContact CG-CB 4.45Å; V449-M566 WeakPolarHBondContact O-CA 3.47Å; Q450-M566 HydrophobicContact CB-SD 4.35Å; Q450-M566 HydrophobicContact CG-CE 3.71Å; Q450-M566 HydrophobicContact CG-SD 3.64Å; L487-M566 WeakPolarHBondContact CA-O 3.42Å; E488-M566 HydrophobicContact CB-CB 4.09Å; E488-M566 HydrophobicContact CB-CG 4.43Å; E488-M566 PolarHBondContact N-O 3.19Å; E488-M566 PolarHBondContact O-N 3.42Å
567V94.7Very high90.9Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-114.3115.8176.7-177.20000108.9Q448 V449 V451 F475 L487 L565 F585Q448-V567 CarbonylContact C-O 3.56Å; Q448-V567 WeakPolarHBondContact CA-O 3.3Å; V449-V567 PolarHBondContact N-O 3.39Å; V449-V567 PolarHBondContact O-N 2.9Å; V451-V567 HydrophobicContact CG2-CG2 3.83Å; F475-V567 HydrophobicContact CB-CG1 4.36Å; F475-V567 HydrophobicContact CB-CG2 4.22Å; L487-V567 HydrophobicContact CD1-CG2 4.05Å; L565-V567 HydrophobicContact CD1-CG2 3.73Å; V567-F585 HydrophobicContact CB-CE1 4.27Å; V567-F585 HydrophobicContact CB-CZ 4.43Å; V567-F585 HydrophobicContact CG1-CE1 4.34Å; V567-F585 HydrophobicContact CG1-CZ 4.08Å
568G93.8Very high91.2Very high0 Ų035.6 Ų35.60%018%0.179CC..EExtended strand (participates in β ladder)trans-65.4131.9171.900000111.6V447 M482 G486V447-G568 CarbonylContact O-C 3.59Å; V447-G568 WeakPolarHBondContact O-CA 3.17Å; M482-G568 WeakPolarHBondContact CB-O 3.36Å; M482-G568 WeakPolarHBondContact CG-O 3.36Å; M482-G568 PolarHBondContact N-O 2.92Å; G486-G568 WeakPolarHBondContact O-CA 3.38Å; G486-G568 PolarHBondContact O-N 3.26Å
569I94Very high91.5Very high0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-118.8159.5177.461.8165.4000111.3G446 V447 V449 H480 M482 F572 V581 F585G446-I569 PolarHBondContact N-O 2.9Å; V447-I569 HydrophobicContact CB-CD1 4.13Å; V447-I569 HydrophobicContact CB-CG1 3.78Å; V447-I569 HydrophobicContact CG1-CD1 4.05Å; V447-I569 HydrophobicContact CG1-CG1 4.12Å; V447-I569 VanDerWaalsContact O-CG1 3.31Å; V447-I569 WeakPolarHBondContact O-CG1 3.24Å; V447-I569 PolarHBondContact O-N 3.48Å; V449-I569 HydrophobicContact CG2-CD1 3.73Å; V449-I569 HydrophobicContact CG2-CG1 4.17Å; V449-I569 HydrophobicContact CG2-CG2 3.84Å; H480-I569 CarbonylContact O-C 3.52Å; H480-I569 WeakPolarHBondContact O-CA 3.48Å; H480-I569 WeakPolarHBondContact O-CB 3.46Å; M482-I569 VanDerWaalsContact SD-O 3.33Å; I569-F572 HydrophobicContact CD1-CB 3.93Å; I569-F572 HydrophobicContact CD1-CD1 4.31Å; I569-F572 HydrophobicContact CD1-CD2 3.54Å; I569-F572 HydrophobicContact CD1-CE2 4.15Å; I569-F572 HydrophobicContact CD1-CG 3.65Å; I569-V581 HydrophobicContact CD1-CG1 3.9Å; I569-V581 HydrophobicContact CG2-CG1 4.32Å; I569-F585 HydrophobicContact CG2-CE2 3.7Å; I569-F585 HydrophobicContact CG2-CZ 3.47Å; I569-F585 VanDerWaalsContact CG2-CZ 3.47Å
570K90.9Very high91.6Very high78 Ų7834.4 Ų34.434%0.33918%0.18SC..EExtended strand (participates in β ladder)trans-129.2166.5175.256.4167.1-175.6165.60109.4E444 P479 H480 M482E444-K570 WeakPolarHBondContact O-CA 3.38Å; P479-K570 WeakPolarHBondContact O-CE 3.33Å; H480-K570 WeakPolarHBondContact O-CG 3.43Å; H480-K570 PolarHBondContact O-N 3.18Å; M482-K570 HydrophobicContact CG-CB 4.2Å; M482-K570 HydrophobicContact CG-CG 4.49Å
571D89.1Confident91.6Very high76 Ų7634 Ų3441%0.40618%0.178SC..  trans56.261.3178.3-48.8-48.2000110E444 E577E444-D571 PolarHBondContact O-N 3.08Å; D571-E577 WeakPolarHBondContact O-CB 3.38Å
572F90.1Very high91.7Very high0 Ų031.7 Ų31.70%016%0.162CC..  trans-125.821.4-177.6-166.7-103.4000112.2W443 V447 I569 Q578 V581 H601 M603 W604W443-F572 CarbonylContact O-C 3.58Å; W443-F572 WeakPolarHBondContact O-CA 3.3Å; W443-F572 WeakPolarHBondContact O-CB 3.33Å; W443-F572 PolarHBondContact O-N 3.23Å; V447-F572 HydrophobicContact CG1-CD1 4.35Å; V447-F572 HydrophobicContact CG2-CD1 4.32Å; I569-F572 HydrophobicContact CD1-CB 3.93Å; I569-F572 HydrophobicContact CD1-CD1 4.31Å; I569-F572 HydrophobicContact CD1-CD2 3.54Å; I569-F572 HydrophobicContact CD1-CE2 4.15Å; I569-F572 HydrophobicContact CD1-CG 3.65Å; F572-Q578 HydrophobicContact CD1-CG 4.02Å; F572-Q578 HydrophobicContact CD2-CB 4.13Å; F572-Q578 HydrophobicContact CD2-CG 3.72Å; F572-Q578 HydrophobicContact CE1-CG 3.81Å; F572-Q578 HydrophobicContact CE2-CB 3.59Å; F572-Q578 HydrophobicContact CE2-CG 3.49Å; F572-Q578 VanDerWaalsContact CE2-CG 3.49Å; F572-Q578 HydrophobicContact CG-CG 3.96Å; F572-Q578 HydrophobicContact CZ-CB 3.87Å; F572-Q578 HydrophobicContact CZ-CG 3.54Å; F572-Q578 WeakPolarHBondContact O-CG 3.35Å; F572-Q578 PolarHBondContact O-NE2 3.33Å; F572-V581 HydrophobicContact CD2-CB 4.06Å; F572-V581 HydrophobicContact CD2-CG1 4.31Å; F572-V581 HydrophobicContact CD2-CG2 3.93Å; F572-V581 HydrophobicContact CE2-CB 4.29Å; F572-H601 AromaticContact CE1-CE1 3.83Å; F572-H601 AromaticContact CE1-ND1 3.94Å; F572-H601 AromaticContact CZ-ND1 3.97Å; F572-M603 HydrophobicContact CE1-CB 4.1Å; F572-M603 HydrophobicContact CE1-CG 4.18Å; F572-M603 HydrophobicContact CZ-CB 4.08Å; F572-W604 HydrophobicContact CE2-CH2 4.28Å; F572-W604 AromaticContact CE2-CZ3 3.59Å; F572-W604 HydrophobicContact CE2-CZ3 3.59Å; F572-W604 HydrophobicContact CZ-CE3 4.39Å; F572-W604 AromaticContact CZ-CZ3 3.73Å; F572-W604 HydrophobicContact CZ-CZ3 3.73Å
573A85.3Confident91.6Very high23 Ų2333.5 Ų33.519%0.1917%0.171CC..SBendtrans-79.3-43.2-170.600000112.2E444 E577 Q578E444-A573 HydrophobicContact CG-CB 4.44Å; A573-E577 PolarHBondContact N-OE2 2.95Å; A573-Q578 PolarHBondContact O-NE2 3.5Å
574N83.9Confident91.5Very high81 Ų8134.5 Ų34.543%0.43318%0.18SC..SBendtrans-103.1155.4-172-58.7-43.6000112.3I576 E577 Q578N574-I576 VanDerWaalsContact C-N 3.27Å; N574-I576 PolarHBondContact O-N 3.48Å; N574-E577 HydrophobicContact CB-CG 4.44Å; N574-E577 PolarHBondContact N-OE2 3.05Å; N574-E577 PolarHBondContact ND2-OE1 2.92Å; N574-E577 WeakPolarHBondContact O-CB 3.46Å; N574-E577 PolarHBondContact O-N 3.06Å; N574-E577 VanDerWaalsContact O-N 3.16Å; N574-Q578 WeakPolarHBondContact O-CG 3.45Å; N574-Q578 PolarHBondContact O-N 3.28Å
575A84.5Confident91.5Very high11 Ų1131.3 Ų31.39%0.09117%0.168CC..Hα-helixtrans-53.7-40.6179.700000113.6E417 Q578 T579 Y610E417-A575 WeakPolarHBondContact O-CB 3.4Å; A575-Q578 WeakPolarHBondContact O-CB 3.21Å; A575-Q578 PolarHBondContact O-N 3.02Å; A575-T579 WeakPolarHBondContact O-CG2 3.5Å; A575-T579 PolarHBondContact O-N 3.31Å; A575-T579 PolarHBondContact O-OG1 3.38Å; A575-Y610 HydrophobicContact CB-CD2 3.72Å; A575-Y610 HydrophobicContact CB-CE2 3.7Å; A575-Y610 HydrophobicContact CB-CG 4.46Å
576I86.1Confident91.4Very high93 Ų9335.4 Ų35.448%0.47718%0.184SC..Hα-helixtrans-61.6-53.4177.8-60.9172.2000110.5N574 Q578 T579 E580N574-I576 VanDerWaalsContact C-N 3.27Å; N574-I576 PolarHBondContact O-N 3.48Å; I576-Q578 PolarHBondContact O-N 2.92Å; I576-T579 PolarHBondContact O-N 3.23Å; I576-T579 PolarHBondContact O-OG1 3.46Å; I576-E580 WeakPolarHBondContact O-CG 3.44Å; I576-E580 PolarHBondContact O-N 2.95Å
577E89.3Confident91.5Very high49 Ų4938.7 Ų38.723%0.22920%0.202CC..Hα-helixtrans-55.8-41.9176.5-71164.7-156.900111.3D571 A573 N574 T579 E580 V581D571-E577 WeakPolarHBondContact O-CB 3.38Å; A573-E577 PolarHBondContact N-OE2 2.95Å; N574-E577 HydrophobicContact CB-CG 4.44Å; N574-E577 PolarHBondContact N-OE2 3.05Å; N574-E577 PolarHBondContact ND2-OE1 2.92Å; N574-E577 WeakPolarHBondContact O-CB 3.46Å; N574-E577 PolarHBondContact O-N 3.06Å; N574-E577 VanDerWaalsContact O-N 3.16Å; E577-T579 PolarHBondContact O-N 3.26Å; E577-E580 PolarHBondContact O-N 3.37Å; E577-V581 WeakPolarHBondContact O-CG2 3.28Å; E577-V581 PolarHBondContact O-N 3.32Å
578Q91.4Very high91.5Very high4 Ų440.1 Ų40.12%0.01921%0.21CC..Hα-helixtrans-62.8-40.9177.9-63.71732.900112.1F572 A573 N574 A575 I576 T582 V607F572-Q578 HydrophobicContact CD1-CG 4.02Å; F572-Q578 HydrophobicContact CD2-CB 4.13Å; F572-Q578 HydrophobicContact CD2-CG 3.72Å; F572-Q578 HydrophobicContact CE1-CG 3.81Å; F572-Q578 HydrophobicContact CE2-CB 3.59Å; F572-Q578 HydrophobicContact CE2-CG 3.49Å; F572-Q578 VanDerWaalsContact CE2-CG 3.49Å; F572-Q578 HydrophobicContact CG-CG 3.96Å; F572-Q578 HydrophobicContact CZ-CB 3.87Å; F572-Q578 HydrophobicContact CZ-CG 3.54Å; F572-Q578 WeakPolarHBondContact O-CG 3.35Å; F572-Q578 PolarHBondContact O-NE2 3.33Å; A573-Q578 PolarHBondContact O-NE2 3.5Å; N574-Q578 WeakPolarHBondContact O-CG 3.45Å; N574-Q578 PolarHBondContact O-N 3.28Å; A575-Q578 WeakPolarHBondContact O-CB 3.21Å; A575-Q578 PolarHBondContact O-N 3.02Å; I576-Q578 PolarHBondContact O-N 2.92Å; Q578-T582 WeakPolarHBondContact O-CB 3.44Å; Q578-T582 PolarHBondContact O-N 3.38Å; Q578-T582 PolarHBondContact O-OG1 2.97Å; Q578-V607 HydrophobicContact CB-CG1 4.43Å; Q578-V607 HydrophobicContact CB-CG2 3.72Å
579T90.9Very high91.6Very high28 Ų2840.6 Ų40.617%0.17222%0.215CC..Hα-helixtrans-65.8-40.2173.959.50000112.4A575 I576 E577 T582 T583 V607 Y610 M611A575-T579 WeakPolarHBondContact O-CG2 3.5Å; A575-T579 PolarHBondContact O-N 3.31Å; A575-T579 PolarHBondContact O-OG1 3.38Å; I576-T579 PolarHBondContact O-N 3.23Å; I576-T579 PolarHBondContact O-OG1 3.46Å; E577-T579 PolarHBondContact O-N 3.26Å; T579-T582 PolarHBondContact O-N 3.06Å; T579-T583 WeakPolarHBondContact O-CB 3.24Å; T579-T583 PolarHBondContact O-N 2.85Å; T579-T583 PolarHBondContact O-OG1 3.24Å; T579-V607 VanDerWaalsContact CA-CG1 3.48Å; T579-V607 HydrophobicContact CG2-CG1 3.58Å; T579-Y610 HydrophobicContact CG2-CD2 4.37Å; T579-M611 HydrophobicContact CG2-CG 3.88Å
580E92.4Very high91.7Very high98 Ų9844.2 Ų44.246%0.45824%0.244SC..Hα-helixtrans-64.1-47.5176.9-71.2-179.6165.800111.2H480 I576 E577 T582 T583 A584H480-E580 IonicContact CE1-OE2 3.74Å; I576-E580 WeakPolarHBondContact O-CG 3.44Å; I576-E580 PolarHBondContact O-N 2.95Å; E577-E580 PolarHBondContact O-N 3.37Å; E580-T582 VanDerWaalsContact C-N 3.35Å; E580-T582 PolarHBondContact O-N 2.74Å; E580-T583 PolarHBondContact O-N 3.3Å; E580-A584 VanDerWaalsContact O-CB 3.26Å; E580-A584 WeakPolarHBondContact O-CB 3.32Å; E580-A584 PolarHBondContact O-N 3.41Å
581V94.3Very high91.9Very high0 Ų045.9 Ų45.90%026%0.256CS..Hα-helixtrans-61.3-45.4176.9-176.90000110.5H480 I569 F572 E577 T583 A584 F585 W604H480-V581 HydrophobicContact CB-CB 4.39Å; H480-V581 HydrophobicContact CB-CG1 4.18Å; H480-V581 HydrophobicContact CB-CG2 3.62Å; H480-V581 WeakPolarHBondContact ND1-CG2 3.34Å; I569-V581 HydrophobicContact CD1-CG1 3.9Å; I569-V581 HydrophobicContact CG2-CG1 4.32Å; F572-V581 HydrophobicContact CD2-CB 4.06Å; F572-V581 HydrophobicContact CD2-CG1 4.31Å; F572-V581 HydrophobicContact CD2-CG2 3.93Å; F572-V581 HydrophobicContact CE2-CB 4.29Å; E577-V581 WeakPolarHBondContact O-CG2 3.28Å; E577-V581 PolarHBondContact O-N 3.32Å; V581-T583 VanDerWaalsContact C-N 3.35Å; V581-T583 PolarHBondContact O-N 3.34Å; V581-A584 PolarHBondContact O-N 3.02Å; V581-F585 HydrophobicContact CG1-CD2 3.82Å; V581-F585 HydrophobicContact CG1-CE2 3.84Å; V581-F585 WeakPolarHBondContact O-CB 3.49Å; V581-F585 VanDerWaalsContact O-CD2 3.26Å; V581-F585 WeakPolarHBondContact O-CD2 3.24Å; V581-F585 PolarHBondContact O-N 3.29Å; V581-W604 HydrophobicContact CG1-CH2 4.12Å
582T94.4Very high92.3Very high0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-60.1-46.4179.5-58.60000112Q578 T579 E580 F585 R586 W604 V607 M611Q578-T582 WeakPolarHBondContact O-CB 3.44Å; Q578-T582 PolarHBondContact O-N 3.38Å; Q578-T582 PolarHBondContact O-OG1 2.97Å; T579-T582 PolarHBondContact O-N 3.06Å; E580-T582 VanDerWaalsContact C-N 3.35Å; E580-T582 PolarHBondContact O-N 2.74Å; T582-F585 PolarHBondContact O-N 3.45Å; T582-R586 VanDerWaalsContact O-CG 3.3Å; T582-R586 WeakPolarHBondContact O-CG 3.38Å; T582-R586 PolarHBondContact O-N 3.02Å; T582-W604 VanDerWaalsContact CA-CH2 3.45Å; T582-W604 VanDerWaalsContact CA-CZ2 3.4Å; T582-W604 HydrophobicContact CG2-CD2 3.89Å; T582-W604 HydrophobicContact CG2-CE3 4.33Å; T582-W604 HydrophobicContact CG2-CG 4.39Å; T582-W604 HydrophobicContact CG2-CH2 4.3Å; T582-W604 HydrophobicContact CG2-CZ2 3.87Å; T582-W604 WeakPolarHBondContact OG1-CH2 3.25Å; T582-W604 WeakPolarHBondContact OG1-CZ2 3.47Å; T582-W604 WeakPolarHBondContact OG1-CZ3 3.29Å; T582-V607 HydrophobicContact CG2-CG1 4.34Å; T582-V607 WeakPolarHBondContact OG1-CG1 3.4Å; T582-M611 HydrophobicContact CG2-CE 4.07Å
583T94.2Very high92.5Very high55 Ų5548.7 Ų48.734%0.33728%0.275SS..Hα-helixtrans-66.3-47179.7-54.40000110.6T579 E580 V581 F585 R586 D587T579-T583 WeakPolarHBondContact O-CB 3.24Å; T579-T583 PolarHBondContact O-N 2.85Å; T579-T583 PolarHBondContact O-OG1 3.24Å; E580-T583 PolarHBondContact O-N 3.3Å; V581-T583 VanDerWaalsContact C-N 3.35Å; V581-T583 PolarHBondContact O-N 3.34Å; T583-F585 VanDerWaalsContact C-N 3.32Å; T583-F585 PolarHBondContact O-N 2.91Å; T583-R586 PolarHBondContact O-N 3.49Å; T583-R586 VanDerWaalsContact O-N 3.1Å; T583-D587 WeakPolarHBondContact O-CB 3.46Å; T583-D587 VanDerWaalsContact O-CG 3.26Å; T583-D587 PolarHBondContact O-N 2.94Å
584A95Very high92.9Very high25 Ų2552.5 Ų52.521%0.20729%0.288CS..Hα-helixtrans-59.1-40.3178.100000112.9E580 V581 T588E580-A584 VanDerWaalsContact O-CB 3.26Å; E580-A584 WeakPolarHBondContact O-CB 3.32Å; E580-A584 PolarHBondContact O-N 3.41Å; V581-A584 PolarHBondContact O-N 3.02Å; A584-T588 WeakPolarHBondContact O-CB 3.23Å; A584-T588 PolarHBondContact O-N 3.07Å; A584-T588 PolarHBondContact O-OG1 2.91Å
585F96Very high93.5Very high7 Ų749 Ų493%0.03127%0.269CS..Hα-helixtrans-68.7-39175.9-90.4-110.7000112.1V449 V451 F475 V567 I569 V581 T582 T583 A589 T599 W604V449-F585 HydrophobicContact CB-CD1 4.33Å; V449-F585 HydrophobicContact CB-CE1 3.85Å; V449-F585 HydrophobicContact CB-CZ 4.33Å; V449-F585 HydrophobicContact CG1-CD1 3.81Å; V449-F585 HydrophobicContact CG1-CE1 3.83Å; V449-F585 HydrophobicContact CG2-CE1 4.3Å; V449-F585 HydrophobicContact CG2-CZ 4.36Å; V451-F585 HydrophobicContact CG2-CD1 4.24Å; V451-F585 HydrophobicContact CG2-CE1 4.06Å; F475-F585 HydrophobicContact CB-CE1 4.47Å; F475-F585 AromaticContact CD1-CD1 3.54Å; F475-F585 HydrophobicContact CD1-CD1 3.54Å; F475-F585 AromaticContact CD1-CE1 3.73Å; F475-F585 HydrophobicContact CD1-CE1 3.73Å; F475-F585 HydrophobicContact CD1-CG 4.12Å; F475-F585 HydrophobicContact CD1-CZ 4.44Å; F475-F585 HydrophobicContact CE1-CB 4.41Å; F475-F585 AromaticContact CE1-CD1 3.85Å; F475-F585 HydrophobicContact CE1-CD1 3.85Å; F475-F585 HydrophobicContact CE1-CE1 4.47Å; F475-F585 HydrophobicContact CE1-CG 4.29Å; F475-F585 WeakPolarHBondContact CE1-O 3.46Å; V567-F585 HydrophobicContact CB-CE1 4.27Å; V567-F585 HydrophobicContact CB-CZ 4.43Å; V567-F585 HydrophobicContact CG1-CE1 4.34Å; V567-F585 HydrophobicContact CG1-CZ 4.08Å; I569-F585 HydrophobicContact CG2-CE2 3.7Å; I569-F585 HydrophobicContact CG2-CZ 3.47Å; I569-F585 VanDerWaalsContact CG2-CZ 3.47Å; V581-F585 HydrophobicContact CG1-CD2 3.82Å; V581-F585 HydrophobicContact CG1-CE2 3.84Å; V581-F585 WeakPolarHBondContact O-CB 3.49Å; V581-F585 VanDerWaalsContact O-CD2 3.26Å; V581-F585 WeakPolarHBondContact O-CD2 3.24Å; V581-F585 PolarHBondContact O-N 3.29Å; T582-F585 PolarHBondContact O-N 3.45Å; T583-F585 VanDerWaalsContact C-N 3.32Å; T583-F585 PolarHBondContact O-N 2.91Å; F585-A589 WeakPolarHBondContact O-CB 3.45Å; F585-A589 PolarHBondContact O-N 3.46Å; F585-T599 HydrophobicContact CB-CG2 4.19Å; F585-T599 HydrophobicContact CD1-CG2 4.08Å; F585-W604 HydrophobicContact CB-CZ2 4.42Å
586R95.2Very high94Very high88 Ų8852.1 Ų52.133%0.33228%0.284SS..Hα-helixtrans-67-44175.9-75173.6177.51731.1111.9T582 T583 T588 A589 A590 D608T582-R586 VanDerWaalsContact O-CG 3.3Å; T582-R586 WeakPolarHBondContact O-CG 3.38Å; T582-R586 PolarHBondContact O-N 3.02Å; T583-R586 PolarHBondContact O-N 3.49Å; T583-R586 VanDerWaalsContact O-N 3.1Å; R586-T588 VanDerWaalsContact C-N 3.34Å; R586-T588 PolarHBondContact O-N 2.79Å; R586-A589 WeakPolarHBondContact O-CB 3.13Å; R586-A589 PolarHBondContact O-N 3.24Å; R586-A590 WeakPolarHBondContact O-CB 3.27Å; R586-A590 PolarHBondContact O-N 3.2Å; R586-D608 IonicContact CZ-OD1 2.84Å; R586-D608 IonicContact NH1-OD1 2.77Å; R586-D608 PolarHBondContact NH1-OD1 3.12Å; R586-D608 IonicContact NH2-OD1 3.48Å; R586-D608 PolarHBondContact NH2-OD1 3.27Å; R586-D608 IonicContact NH2-OD2 3.5Å; R586-D608 PolarHBondContact NH2-OD2 3.46Å
587D95.8Very high94.6Very high97 Ų9748.5 Ų48.552%0.51927%0.265SS..Hα-helixtrans-62.5-44.2177-69.2-16.4000110.7T583 A589 A590 L591T583-D587 WeakPolarHBondContact O-CB 3.46Å; T583-D587 VanDerWaalsContact O-CG 3.26Å; T583-D587 PolarHBondContact O-N 2.94Å; D587-A589 VanDerWaalsContact C-N 3.32Å; D587-A589 PolarHBondContact O-N 3.01Å; D587-A590 PolarHBondContact O-N 2.85Å; D587-L591 WeakPolarHBondContact O-CG 3.31Å; D587-L591 PolarHBondContact O-N 3.08Å
588T95.3Very high94.9Very high29 Ų2949.4 Ų49.418%0.17828%0.275CS..Hα-helixtrans-62.2-40.2175.7-56.80000111.6K474 F475 A584 R586 Y592K474-T588 HydrophobicContact CB-CG2 4.02Å; F475-T588 HydrophobicContact CD1-CG2 3.89Å; F475-T588 HydrophobicContact CD2-CG2 4.1Å; F475-T588 HydrophobicContact CE1-CG2 3.66Å; F475-T588 HydrophobicContact CE2-CG2 3.87Å; F475-T588 HydrophobicContact CG-CG2 4.11Å; F475-T588 HydrophobicContact CZ-CG2 3.64Å; A584-T588 WeakPolarHBondContact O-CB 3.23Å; A584-T588 PolarHBondContact O-N 3.07Å; A584-T588 PolarHBondContact O-OG1 2.91Å; R586-T588 VanDerWaalsContact C-N 3.34Å; R586-T588 PolarHBondContact O-N 2.79Å; T588-Y592 WeakPolarHBondContact O-CD2 3.15Å
589A95.9Very high95.1Very high11 Ų1150 Ų509%0.09128%0.278CS..Hα-helixtrans-65.5-39.7174.700000112.4F475 F585 R586 D587 L591 Y592 I597 T599F475-A589 HydrophobicContact CZ-CB 4.15Å; F585-A589 WeakPolarHBondContact O-CB 3.45Å; F585-A589 PolarHBondContact O-N 3.46Å; R586-A589 WeakPolarHBondContact O-CB 3.13Å; R586-A589 PolarHBondContact O-N 3.24Å; D587-A589 VanDerWaalsContact C-N 3.32Å; D587-A589 PolarHBondContact O-N 3.01Å; A589-L591 VanDerWaalsContact C-N 3.27Å; A589-L591 PolarHBondContact O-N 3.29Å; A589-Y592 PolarHBondContact O-N 3.03Å; A589-Y592 VanDerWaalsContact O-N 3.17Å; A589-I597 HydrophobicContact CB-CB 3.93Å; A589-I597 HydrophobicContact CB-CG2 3.96Å; A589-T599 HydrophobicContact CB-CG2 4.42Å
590A95.7Very high95.4Very high75 Ų7553.2 Ų53.262%0.6229%0.29SS*.Hα-helixtrans-66-25.4-17900000113.6R586 D587 Y592R586-A590 WeakPolarHBondContact O-CB 3.27Å; R586-A590 PolarHBondContact O-N 3.2Å; D587-A590 PolarHBondContact O-N 2.85Å; A590-Y592 PolarHBondContact O-N 3.4Å
591L96.1Very high95.4Very high113 Ų11348.8 Ų48.859%0.59227%0.27SS*.THydrogen-bonded Turntrans-65.9-16.6174.6-67.3175.2000113.7D587 A589 P593D587-L591 WeakPolarHBondContact O-CG 3.31Å; D587-L591 PolarHBondContact O-N 3.08Å; A589-L591 VanDerWaalsContact C-N 3.27Å; A589-L591 PolarHBondContact O-N 3.29Å; L591-P593 VanDerWaalsContact C-CD 3.45Å; L591-P593 WeakPolarHBondContact O-CD 3.47Å
592Y95.6Very high95.1Very high36 Ų3654.1 Ų54.114%0.14129%0.29CS..  trans-127.662.5-173.6-60-78000112.7V471 K474 T588 A589 A590 Q594 Y595V471-Y592 HydrophobicContact CB-CE2 4.48Å; V471-Y592 HydrophobicContact CG1-CD2 3.92Å; V471-Y592 HydrophobicContact CG1-CE2 4.19Å; V471-Y592 HydrophobicContact CG1-CG 4.34Å; V471-Y592 HydrophobicContact CG2-CD1 3.65Å; V471-Y592 HydrophobicContact CG2-CD2 3.91Å; V471-Y592 HydrophobicContact CG2-CE1 3.61Å; V471-Y592 HydrophobicContact CG2-CE2 3.89Å; V471-Y592 HydrophobicContact CG2-CG 3.79Å; K474-Y592 HydrophobicContact CD-CE2 4.02Å; K474-Y592 VanDerWaalsContact CD-OH 3.27Å; K474-Y592 WeakPolarHBondContact CD-OH 3.37Å; K474-Y592 WeakPolarHBondContact CE-OH 3.07Å; K474-Y592 PolarHBondContact NZ-OH 2.94Å; T588-Y592 WeakPolarHBondContact O-CD2 3.15Å; A589-Y592 PolarHBondContact O-N 3.03Å; A589-Y592 VanDerWaalsContact O-N 3.17Å; A590-Y592 PolarHBondContact O-N 3.4Å; Y592-Q594 VanDerWaalsContact CA-OE1 3.23Å; Y592-Q594 PolarHBondContact O-N 3.33Å; Y592-Q594 VanDerWaalsContact O-N 3.09Å; Y592-Y595 PolarHBondContact O-N 2.85Å
593P94.4Very high94.8Very high100 Ų10054.3 Ų54.365%0.64929%0.291SS*.G310 helixtrans-61.4-22.8-176.626.7-35.5000113.4L591 Y595 N596L591-P593 VanDerWaalsContact C-CD 3.45Å; L591-P593 WeakPolarHBondContact O-CD 3.47Å; P593-Y595 VanDerWaalsContact C-N 3.25Å; P593-Y595 PolarHBondContact O-N 3.21Å; P593-N596 PolarHBondContact O-N 3.48Å
594Q94.9Very high94.7Very high102 Ų10252.1 Ų52.148%0.47728%0.277SS..G310 helixtrans-60.1-33178.267.8-85.726.100113.4Y592Y592-Q594 VanDerWaalsContact CA-OE1 3.23Å; Y592-Q594 PolarHBondContact O-N 3.33Å; Y592-Q594 VanDerWaalsContact O-N 3.09Å
595Y95.8Very high94.5Very high9 Ų954.5 Ų54.54%0.03529%0.29CS..G310 helixtrans-93-9.8-177.4-62.1-55.8000113.2F453 N454 R455 N464 R467 I468 V471 Y592 P593F453-Y595 HydrophobicContact CD1-CD1 4.31Å; F453-Y595 HydrophobicContact CD1-CD2 4.42Å; F453-Y595 AromaticContact CD1-CG 3.92Å; F453-Y595 HydrophobicContact CD1-CG 3.92Å; F453-Y595 HydrophobicContact CE1-CD2 4.06Å; F453-Y595 HydrophobicContact CE1-CG 4.03Å; N454-Y595 PolarHBondContact N-O 2.96Å; R455-Y595 PolarHBondContact N-O 3.5Å; R455-Y595 WeakPolarHBondContact O-CA 3.21Å; N464-Y595 PolarHBondContact OD1-OH 2.83Å; R467-Y595 VanDerWaalsContact CB-OH 3.24Å; R467-Y595 WeakPolarHBondContact CB-OH 3.38Å; I468-Y595 HydrophobicContact CG1-CE1 4.07Å; V471-Y595 HydrophobicContact CG2-CD2 4.33Å; V471-Y595 HydrophobicContact CG2-CE2 3.99Å; Y592-Y595 PolarHBondContact O-N 2.85Å; P593-Y595 VanDerWaalsContact C-N 3.25Å; P593-Y595 PolarHBondContact O-N 3.21Å
596N96.4Very high94Very high75 Ų7556.9 Ų56.940%0.40130%0.301SS..  trans4663.4-174.6-173.831.3000111.7N454 R455 P593N454-N596 HydrophobicContact CB-CB 4.23Å; N454-N596 WeakPolarHBondContact CB-O 3.43Å; N454-N596 PolarHBondContact N-O 3.33Å; N454-N596 PolarHBondContact ND2-O 3.4Å; R455-N596 HydrophobicContact CG-CB 4.47Å; P593-N596 PolarHBondContact O-N 3.48Å
597I97.5Very high93.8Very high17 Ų1752.7 Ų52.79%0.08729%0.285CS..EExtended strand (participates in β ladder)trans-78.4132.9-172.2-56.5174.6000110V451 T452 F453 V471 F475 A589V451-I597 HydrophobicContact CG1-CG2 3.55Å; T452-I597 CarbonylContact O-C 3.28Å; T452-I597 VanDerWaalsContact O-CA 3.31Å; T452-I597 WeakPolarHBondContact O-CA 3.31Å; F453-I597 HydrophobicContact CD1-CD1 4.41Å; F453-I597 HydrophobicContact CD1-CG1 4.22Å; F453-I597 HydrophobicContact CE1-CD1 3.83Å; F453-I597 HydrophobicContact CE1-CG1 4.14Å; F453-I597 HydrophobicContact CZ-CD1 3.92Å; F453-I597 HydrophobicContact CZ-CG1 4.41Å; V471-I597 HydrophobicContact CG1-CD1 3.64Å; F475-I597 HydrophobicContact CE2-CD1 4.24Å; F475-I597 HydrophobicContact CE2-CG2 4.38Å; F475-I597 HydrophobicContact CZ-CG2 4.11Å; A589-I597 HydrophobicContact CB-CB 3.93Å; A589-I597 HydrophobicContact CB-CG2 3.96Å
598T96.4Very high93.6Very high69 Ų6950.8 Ų50.842%0.42328%0.275SS..EExtended strand (participates in β ladder)trans-119.1133.4173-53.50000109.7T452 N454T452-T598 PolarHBondContact N-O 2.85Å; T452-T598 PolarHBondContact O-N 3.25Å; N454-T598 PolarHBondContact ND2-OG1 2.68Å
599T95.9Very high93.3Very high15 Ų1551.7 Ų51.79%0.09228%0.277CS..EExtended strand (participates in β ladder)trans-109.8138.7176.564.30000109.9Q450 V451 F475 F585 A589Q450-T599 CarbonylContact O-C 3.59Å; Q450-T599 VanDerWaalsContact O-CA 3.29Å; Q450-T599 WeakPolarHBondContact O-CA 3.21Å; V451-T599 HydrophobicContact CG1-CG2 4.43Å; V451-T599 HydrophobicContact CG2-CG2 4.22Å; F475-T599 HydrophobicContact CE1-CG2 4.13Å; F475-T599 HydrophobicContact CZ-CG2 4.47Å; F585-T599 HydrophobicContact CB-CG2 4.19Å; F585-T599 HydrophobicContact CD1-CG2 4.08Å; A589-T599 HydrophobicContact CB-CG2 4.42Å
600F95.4Very high92.9Very high97 Ų9751.3 Ų51.343%0.42527%0.273SS..EExtended strand (participates in β ladder)trans-144.1137.9-178178.8-101000111.7Q450Q450-F600 HydrophobicContact CB-CB 4.31Å; Q450-F600 VanDerWaalsContact CB-O 3.32Å; Q450-F600 WeakPolarHBondContact CB-O 3.35Å; Q450-F600 PolarHBondContact N-O 3.45Å; Q450-F600 PolarHBondContact O-N 3.18Å
601H93.7Very high92.6Very high5 Ų550.2 Ų50.22%0.02326%0.256CS..  trans-141.9150.3168.4-176-107.8000108.2V447 Q448 V449 F572 M603 W604V447-H601 WeakPolarHBondContact CG1-NE2 3.35Å; Q448-H601 PolarHBondContact O-CD2 2.8Å; Q448-H601 VanDerWaalsContact O-CD2 3.25Å; V449-H601 HydrophobicContact CG2-CB 4.48Å; F572-H601 AromaticContact CE1-CE1 3.83Å; F572-H601 AromaticContact CE1-ND1 3.94Å; F572-H601 AromaticContact CZ-ND1 3.97Å; H601-M603 WeakPolarHBondContact ND1-CB 3.32Å; H601-M603 PolarHBondContact ND1-N 3.15Å; H601-M603 VanDerWaalsContact ND1-N 3.16Å; H601-M603 PolarHBondContact O-N 3.36Å; H601-M603 VanDerWaalsContact O-N 3.09Å; H601-W604 HydrophobicContact CB-CD2 3.98Å; H601-W604 HydrophobicContact CB-CE3 3.75Å; H601-W604 HydrophobicContact CB-CG 4.44Å; H601-W604 HydrophobicContact CB-CZ3 4.09Å; H601-W604 WeakPolarHBondContact O-CB 3.46Å; H601-W604 PolarHBondContact O-N 2.98Å
602Y87.6Confident92.3Very high112 Ų11249 Ų4944%0.43925%0.247SC..THydrogen-bonded Turntrans-62.2-21.5-178.965-94.6000112.8W443W443-Y602 PolarHBondContact NE1-OH 2.94Å
603M88.6Confident92Very high4 Ų447.3 Ų47.32%0.0224%0.24CC..THydrogen-bonded Turntrans-84.5-14173.2-65.9-66.5-72.400114.8P421 W443 F572 H601 P605 F606 V607P421-M603 HydrophobicContact CG-CE 4.26Å; W443-M603 HydrophobicContact CH2-CE 3.82Å; W443-M603 HydrophobicContact CH2-SD 4.47Å; W443-M603 HydrophobicContact CZ2-CE 3.94Å; W443-M603 HydrophobicContact CZ2-CG 4.5Å; W443-M603 HydrophobicContact CZ2-SD 4.04Å; F572-M603 HydrophobicContact CE1-CB 4.1Å; F572-M603 HydrophobicContact CE1-CG 4.18Å; F572-M603 HydrophobicContact CZ-CB 4.08Å; H601-M603 WeakPolarHBondContact ND1-CB 3.32Å; H601-M603 PolarHBondContact ND1-N 3.15Å; H601-M603 VanDerWaalsContact ND1-N 3.16Å; H601-M603 PolarHBondContact O-N 3.36Å; H601-M603 VanDerWaalsContact O-N 3.09Å; M603-P605 VanDerWaalsContact C-CD 3.44Å; M603-P605 VanDerWaalsContact C-N 3.31Å; M603-F606 HydrophobicContact CE-CB 4.33Å; M603-F606 HydrophobicContact CE-CD2 4.2Å; M603-F606 HydrophobicContact CE-CG 4.43Å; M603-F606 WeakPolarHBondContact O-CB 2.95Å; M603-F606 PolarHBondContact O-N 3.42Å; M603-F606 HydrophobicContact SD-CD2 3.84Å; M603-F606 HydrophobicContact SD-CE2 4.26Å; M603-V607 WeakPolarHBondContact O-CG2 3.28Å; M603-V607 PolarHBondContact O-N 3.37Å; M603-V607 VanDerWaalsContact O-N 3.07Å
604W92.3Very high91.7Very high8 Ų845 Ų453%0.0322%0.222CC..Hα-helixtrans-50.8-42.3-177.2-98.3-158.5000114V449 F572 V581 T582 F585 H601 F606 V607 D608V449-W604 HydrophobicContact CG1-CZ2 4.46Å; V449-W604 HydrophobicContact CG2-CH2 4.41Å; F572-W604 HydrophobicContact CE2-CH2 4.28Å; F572-W604 AromaticContact CE2-CZ3 3.59Å; F572-W604 HydrophobicContact CE2-CZ3 3.59Å; F572-W604 HydrophobicContact CZ-CE3 4.39Å; F572-W604 AromaticContact CZ-CZ3 3.73Å; F572-W604 HydrophobicContact CZ-CZ3 3.73Å; V581-W604 HydrophobicContact CG1-CH2 4.12Å; T582-W604 VanDerWaalsContact CA-CH2 3.45Å; T582-W604 VanDerWaalsContact CA-CZ2 3.4Å; T582-W604 HydrophobicContact CG2-CD2 3.89Å; T582-W604 HydrophobicContact CG2-CE3 4.33Å; T582-W604 HydrophobicContact CG2-CG 4.39Å; T582-W604 HydrophobicContact CG2-CH2 4.3Å; T582-W604 HydrophobicContact CG2-CZ2 3.87Å; T582-W604 WeakPolarHBondContact OG1-CH2 3.25Å; T582-W604 WeakPolarHBondContact OG1-CZ2 3.47Å; T582-W604 WeakPolarHBondContact OG1-CZ3 3.29Å; F585-W604 HydrophobicContact CB-CZ2 4.42Å; H601-W604 HydrophobicContact CB-CD2 3.98Å; H601-W604 HydrophobicContact CB-CE3 3.75Å; H601-W604 HydrophobicContact CB-CG 4.44Å; H601-W604 HydrophobicContact CB-CZ3 4.09Å; H601-W604 WeakPolarHBondContact O-CB 3.46Å; H601-W604 PolarHBondContact O-N 2.98Å; W604-F606 VanDerWaalsContact C-N 3.27Å; W604-F606 PolarHBondContact O-N 2.78Å; W604-V607 HydrophobicContact CE3-CG2 4.14Å; W604-V607 HydrophobicContact CZ3-CG2 4.5Å; W604-V607 PolarHBondContact O-N 3.07Å; W604-V607 VanDerWaalsContact O-N 3.1Å; W604-D608 WeakPolarHBondContact O-CB 2.95Å; W604-D608 PolarHBondContact O-N 2.72Å
605P89.1Confident91.5Very high76 Ų7643.5 Ų43.549%0.49422%0.221SC..Hα-helixtrans-58.9-35.4176.3-26.836.6000113.9M603 Q609M603-P605 VanDerWaalsContact C-CD 3.44Å; M603-P605 VanDerWaalsContact C-N 3.31Å; P605-Q609 PolarHBondContact O-N 3.05Å; P605-Q609 VanDerWaalsContact O-N 3.07Å
606F87.5Confident91.2Very high57 Ų5743.4 Ų43.425%0.2522%0.222CC..Hα-helixtrans-72.6-38.4174.8-61.5-80.1000111.4P421 M603 W604 D608 Q609 Y610P421-F606 HydrophobicContact CG-CD1 4.19Å; P421-F606 HydrophobicContact CG-CE1 4.17Å; P421-F606 HydrophobicContact CG-CZ 4.48Å; M603-F606 HydrophobicContact CE-CB 4.33Å; M603-F606 HydrophobicContact CE-CD2 4.2Å; M603-F606 HydrophobicContact CE-CG 4.43Å; M603-F606 WeakPolarHBondContact O-CB 2.95Å; M603-F606 PolarHBondContact O-N 3.42Å; M603-F606 HydrophobicContact SD-CD2 3.84Å; M603-F606 HydrophobicContact SD-CE2 4.26Å; W604-F606 VanDerWaalsContact C-N 3.27Å; W604-F606 PolarHBondContact O-N 2.78Å; F606-D608 VanDerWaalsContact C-N 3.35Å; F606-Q609 WeakPolarHBondContact O-CA 3.5Å; F606-Q609 WeakPolarHBondContact O-CB 3.32Å; F606-Q609 PolarHBondContact O-N 3.49Å; F606-Q609 VanDerWaalsContact O-N 3.15Å; F606-Y610 HydrophobicContact CB-CE1 4.49Å; F606-Y610 WeakPolarHBondContact O-CD1 3.47Å; F606-Y610 WeakPolarHBondContact O-CE1 3.07Å; F606-Y610 VanDerWaalsContact O-CG 3.26Å; F606-Y610 PolarHBondContact O-N 2.99Å
607V90.8Very high90.9Very high0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-66.1-40.2176.3-170.90000111.5Q578 T579 T582 M603 W604 Q609 Y610 M611Q578-V607 HydrophobicContact CB-CG1 4.43Å; Q578-V607 HydrophobicContact CB-CG2 3.72Å; T579-V607 VanDerWaalsContact CA-CG1 3.48Å; T579-V607 HydrophobicContact CG2-CG1 3.58Å; T582-V607 HydrophobicContact CG2-CG1 4.34Å; T582-V607 WeakPolarHBondContact OG1-CG1 3.4Å; M603-V607 WeakPolarHBondContact O-CG2 3.28Å; M603-V607 PolarHBondContact O-N 3.37Å; M603-V607 VanDerWaalsContact O-N 3.07Å; W604-V607 HydrophobicContact CE3-CG2 4.14Å; W604-V607 HydrophobicContact CZ3-CG2 4.5Å; W604-V607 PolarHBondContact O-N 3.07Å; W604-V607 VanDerWaalsContact O-N 3.1Å; V607-Q609 VanDerWaalsContact C-N 3.25Å; V607-Q609 PolarHBondContact O-N 3.33Å; V607-Y610 WeakPolarHBondContact O-CB 3.34Å; V607-Y610 PolarHBondContact O-N 3.4Å; V607-Y610 VanDerWaalsContact O-N 3.08Å; V607-M611 HydrophobicContact CG1-CE 4.17Å; V607-M611 PolarHBondContact O-N 2.8Å
608D90.7Very high90.6Very high57 Ų5742.8 Ų42.831%0.30522%0.218SC..Hα-helixtrans-59.8-38.8171.9-76.4-29.9000111.5R586 W604 F606 Y610 M611 Q612R586-D608 IonicContact CZ-OD1 2.84Å; R586-D608 IonicContact NH1-OD1 2.77Å; R586-D608 PolarHBondContact NH1-OD1 3.12Å; R586-D608 IonicContact NH2-OD1 3.48Å; R586-D608 PolarHBondContact NH2-OD1 3.27Å; R586-D608 IonicContact NH2-OD2 3.5Å; R586-D608 PolarHBondContact NH2-OD2 3.46Å; W604-D608 WeakPolarHBondContact O-CB 2.95Å; W604-D608 PolarHBondContact O-N 2.72Å; F606-D608 VanDerWaalsContact C-N 3.35Å; D608-Y610 VanDerWaalsContact C-N 3.34Å; D608-Y610 PolarHBondContact O-N 3.17Å; D608-M611 HydrophobicContact CB-CE 4.48Å; D608-M611 PolarHBondContact O-N 3.03Å; D608-M611 WeakPolarHBondContact OD1-CE 3.49Å; D608-Q612 VanDerWaalsContact O-CG 3.26Å; D608-Q612 WeakPolarHBondContact O-CG 3.32Å; D608-Q612 PolarHBondContact O-N 3.21Å
609Q89.1Confident90.3Very high48 Ų4843.8 Ų43.822%0.22422%0.218CC..Hα-helixtrans-56.8-48.6171.4-161.6-169.9-8.900110.9F267 P605 F606 V607 M611 Q612 I613F267-Q609 HydrophobicContact CD1-CG 4.09Å; F267-Q609 HydrophobicContact CE1-CB 4.43Å; F267-Q609 HydrophobicContact CE1-CG 3.39Å; F267-Q609 HydrophobicContact CZ-CG 4.3Å; P605-Q609 PolarHBondContact O-N 3.05Å; P605-Q609 VanDerWaalsContact O-N 3.07Å; F606-Q609 WeakPolarHBondContact O-CA 3.5Å; F606-Q609 WeakPolarHBondContact O-CB 3.32Å; F606-Q609 PolarHBondContact O-N 3.49Å; F606-Q609 VanDerWaalsContact O-N 3.15Å; V607-Q609 VanDerWaalsContact C-N 3.25Å; V607-Q609 PolarHBondContact O-N 3.33Å; Q609-M611 PolarHBondContact O-N 3.22Å; Q609-Q612 PolarHBondContact O-N 2.99Å; Q609-Q612 VanDerWaalsContact O-N 3.12Å; Q609-I613 VanDerWaalsContact O-CG1 3.22Å; Q609-I613 WeakPolarHBondContact O-CG1 3.36Å; Q609-I613 PolarHBondContact O-N 3.39Å
610Y88.3Confident89.9Confident3 Ų343.3 Ų43.31%0.01222%0.215CC..Hα-helixtrans-60.2-46.5-178.6-52.9-22.6000112.1L419 A575 T579 F606 V607 D608 Q612 I613L419-Y610 HydrophobicContact CB-CE1 4.5Å; L419-Y610 VanDerWaalsContact N-CE1 3.35Å; L419-Y610 VanDerWaalsContact O-CE1 3.31Å; L419-Y610 WeakPolarHBondContact O-CE1 3.39Å; L419-Y610 PolarHBondContact O-OH 3.43Å; L419-Y610 VanDerWaalsContact O-OH 3.1Å; A575-Y610 HydrophobicContact CB-CD2 3.72Å; A575-Y610 HydrophobicContact CB-CE2 3.7Å; A575-Y610 HydrophobicContact CB-CG 4.46Å; T579-Y610 HydrophobicContact CG2-CD2 4.37Å; F606-Y610 HydrophobicContact CB-CE1 4.49Å; F606-Y610 WeakPolarHBondContact O-CD1 3.47Å; F606-Y610 WeakPolarHBondContact O-CE1 3.07Å; F606-Y610 VanDerWaalsContact O-CG 3.26Å; F606-Y610 PolarHBondContact O-N 2.99Å; V607-Y610 WeakPolarHBondContact O-CB 3.34Å; V607-Y610 PolarHBondContact O-N 3.4Å; V607-Y610 VanDerWaalsContact O-N 3.08Å; D608-Y610 VanDerWaalsContact C-N 3.34Å; D608-Y610 PolarHBondContact O-N 3.17Å; Y610-Q612 PolarHBondContact O-N 2.84Å; Y610-Q612 VanDerWaalsContact O-N 3.08Å; Y610-I613 HydrophobicContact CD1-CD1 4.41Å; Y610-I613 PolarHBondContact O-N 3.46Å
611M88.4Confident89.6Confident51 Ų5139.8 Ų39.825%0.25120%0.201SC..Hα-helixtrans-62.3-18.2178.5-69.5-176.4-71.800113.5T579 T582 V607 D608 Q609T579-M611 HydrophobicContact CG2-CG 3.88Å; T582-M611 HydrophobicContact CG2-CE 4.07Å; V607-M611 HydrophobicContact CG1-CE 4.17Å; V607-M611 PolarHBondContact O-N 2.8Å; D608-M611 HydrophobicContact CB-CE 4.48Å; D608-M611 PolarHBondContact O-N 3.03Å; D608-M611 WeakPolarHBondContact OD1-CE 3.49Å; Q609-M611 PolarHBondContact O-N 3.22Å
612Q89.7Confident89.4Confident88 Ų8847.2 Ų47.241%0.41123%0.23SC..THydrogen-bonded Turntrans-94.3-9.8178-65.7-64.9-51.500113.5F267 D608 Q609 Y610 N616F267-Q612 HydrophobicContact CE1-CB 4.33Å; F267-Q612 HydrophobicContact CE2-CB 4.42Å; F267-Q612 HydrophobicContact CZ-CB 3.74Å; D608-Q612 VanDerWaalsContact O-CG 3.26Å; D608-Q612 WeakPolarHBondContact O-CG 3.32Å; D608-Q612 PolarHBondContact O-N 3.21Å; Q609-Q612 PolarHBondContact O-N 2.99Å; Q609-Q612 VanDerWaalsContact O-N 3.12Å; Y610-Q612 PolarHBondContact O-N 2.84Å; Y610-Q612 VanDerWaalsContact O-N 3.08Å; Q612-N616 WeakPolarHBondContact O-CB 3.46Å; Q612-N616 PolarHBondContact O-N 3.34Å; Q612-N616 PolarHBondContact O-ND2 2.97Å
613I89.3Confident89.6Confident0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-71.2-59.5-173.4-55.4-176.2000110.9F267 Q609 Y610 N616 V617 M667F267-I613 HydrophobicContact CE2-CG1 4.4Å; F267-I613 HydrophobicContact CZ-CG1 3.78Å; Q609-I613 VanDerWaalsContact O-CG1 3.22Å; Q609-I613 WeakPolarHBondContact O-CG1 3.36Å; Q609-I613 PolarHBondContact O-N 3.39Å; Y610-I613 HydrophobicContact CD1-CD1 4.41Å; Y610-I613 PolarHBondContact O-N 3.46Å; I613-N616 PolarHBondContact O-N 3.47Å; I613-V617 HydrophobicContact CG2-CG2 4.2Å; I613-V617 WeakPolarHBondContact O-CG2 3.33Å; I613-V617 PolarHBondContact O-N 3.4Å; I613-M667 HydrophobicContact CG2-CG 3.87Å
614L87.8Confident89.5Confident52 Ų5243.3 Ų43.327%0.27222%0.22SC..Hα-helixtrans-60.2-46-174.8179.867.2000113.1L415 N616 V617 L618 M667L415-L614 HydrophobicContact CD2-CD1 4.12Å; L614-N616 VanDerWaalsContact C-N 3.32Å; L614-N616 PolarHBondContact O-N 2.73Å; L614-V617 PolarHBondContact O-N 3.01Å; L614-L618 HydrophobicContact CD1-CD1 4.26Å; L614-L618 HydrophobicContact CD1-CG 4.18Å; L614-L618 HydrophobicContact CG-CD1 4.14Å; L614-L618 HydrophobicContact CG-CG 4.46Å; L614-L618 WeakPolarHBondContact O-CG 3.46Å; L614-L618 PolarHBondContact O-N 3.05Å; L614-M667 HydrophobicContact CD1-SD 4.13Å
615P90.7Very high89.2Confident70 Ų7044.6 Ų44.646%0.45523%0.227SC..Hα-helixtrans-59.8-40.1177-24.835.5000113.2L618 Q619P615-L618 PolarHBondContact O-N 3.27Å; P615-Q619 VanDerWaalsContact O-CB 3.31Å; P615-Q619 WeakPolarHBondContact O-CB 3.48Å; P615-Q619 PolarHBondContact O-N 2.99Å
616N90.8Very high89.2Confident7 Ų744 Ų444%0.03723%0.228CC..Hα-helixtrans-68.7-41177.6-81.6-50.5000112S266 F267 Q612 I613 L614 Q619 E620 M672S266-N616 WeakPolarHBondContact CB-ND2 3.49Å; S266-N616 PolarHBondContact N-OD1 2.76Å; S266-N616 PolarHBondContact OG-ND2 2.82Å; F267-N616 HydrophobicContact CE2-CB 4.25Å; Q612-N616 WeakPolarHBondContact O-CB 3.46Å; Q612-N616 PolarHBondContact O-N 3.34Å; Q612-N616 PolarHBondContact O-ND2 2.97Å; I613-N616 PolarHBondContact O-N 3.47Å; L614-N616 VanDerWaalsContact C-N 3.32Å; L614-N616 PolarHBondContact O-N 2.73Å; N616-Q619 PolarHBondContact O-N 2.87Å; N616-E620 VanDerWaalsContact O-CB 3.31Å; N616-E620 WeakPolarHBondContact O-CB 3.21Å; N616-E620 PolarHBondContact O-N 3.21Å; N616-M672 HydrophobicContact CB-SD 3.96Å
617V89.5Confident89.2Confident6 Ų643 Ų434%0.03623%0.227CC..Hα-helixtrans-60.4-46.5174.7170.80000110.5I613 L614 E620 V621 M667 M672 L675I613-V617 HydrophobicContact CG2-CG2 4.2Å; I613-V617 WeakPolarHBondContact O-CG2 3.33Å; I613-V617 PolarHBondContact O-N 3.4Å; L614-V617 PolarHBondContact O-N 3.01Å; V617-E620 PolarHBondContact O-N 3.48Å; V617-V621 HydrophobicContact CG1-CG2 4.37Å; V617-V621 WeakPolarHBondContact O-CB 3.48Å; V617-V621 WeakPolarHBondContact O-CG2 3.46Å; V617-V621 PolarHBondContact O-N 3.1Å; V617-M667 HydrophobicContact CB-SD 4.21Å; V617-M667 HydrophobicContact CG1-CE 3.93Å; V617-M667 HydrophobicContact CG1-SD 4.1Å; V617-M667 HydrophobicContact CG2-CG 4.31Å; V617-M667 HydrophobicContact CG2-SD 3.92Å; V617-M672 HydrophobicContact CG2-CB 4.06Å; V617-M672 HydrophobicContact CG2-CG 3.74Å; V617-M672 HydrophobicContact CG2-SD 4.07Å; V617-L675 HydrophobicContact CG1-CD1 3.99Å
618L90.2Very high89Confident73 Ų7343.2 Ų43.238%0.38223%0.228SC..Hα-helixtrans-64-45.5177.9-70.2176000111.8L614 P615 E620 V621 Y622L614-L618 HydrophobicContact CD1-CD1 4.26Å; L614-L618 HydrophobicContact CD1-CG 4.18Å; L614-L618 HydrophobicContact CG-CD1 4.14Å; L614-L618 HydrophobicContact CG-CG 4.46Å; L614-L618 WeakPolarHBondContact O-CG 3.46Å; L614-L618 PolarHBondContact O-N 3.05Å; P615-L618 PolarHBondContact O-N 3.27Å; L618-E620 VanDerWaalsContact C-N 3.3Å; L618-E620 PolarHBondContact O-N 2.91Å; L618-V621 PolarHBondContact O-N 2.92Å; L618-Y622 HydrophobicContact CB-CD2 4.37Å; L618-Y622 HydrophobicContact CB-CE2 4.09Å; L618-Y622 HydrophobicContact CD2-CE2 4.39Å; L618-Y622 WeakPolarHBondContact O-CD2 3.43Å; L618-Y622 PolarHBondContact O-N 3.38Å
619Q91.5Very high88.8Confident90 Ų9042.9 Ų42.942%0.42123%0.229SC..Hα-helixtrans-54.8-49.1175.4176-176.1-40.300110.8P615 N616 Y622 S623P615-Q619 VanDerWaalsContact O-CB 3.31Å; P615-Q619 WeakPolarHBondContact O-CB 3.48Å; P615-Q619 PolarHBondContact O-N 2.99Å; N616-Q619 PolarHBondContact O-N 2.87Å; Q619-Y622 PolarHBondContact O-N 2.67Å; Q619-S623 VanDerWaalsContact O-CB 3.3Å; Q619-S623 WeakPolarHBondContact O-CB 3.43Å; Q619-S623 PolarHBondContact O-N 3.02Å; Q619-S623 PolarHBondContact O-OG 3.3Å
620E87.9Confident88.6Confident5 Ų546.3 Ų46.32%0.02325%0.248CC..Hα-helixtrans-60.9-47.7179.4178.861.9-163.500111.9V261 G262 N616 V617 L618 Y622 S623 G624 I676 I679V261-E620 WeakPolarHBondContact CG1-OE2 3.28Å; G262-E620 VanDerWaalsContact CA-OE2 3.27Å; G262-E620 WeakPolarHBondContact CA-OE2 3.43Å; G262-E620 PolarHBondContact N-OE2 3.49Å; N616-E620 VanDerWaalsContact O-CB 3.31Å; N616-E620 WeakPolarHBondContact O-CB 3.21Å; N616-E620 PolarHBondContact O-N 3.21Å; V617-E620 PolarHBondContact O-N 3.48Å; L618-E620 VanDerWaalsContact C-N 3.3Å; L618-E620 PolarHBondContact O-N 2.91Å; E620-Y622 PolarHBondContact O-N 3.2Å; E620-S623 PolarHBondContact O-N 2.95Å; E620-S623 PolarHBondContact O-OG 3.21Å; E620-G624 WeakPolarHBondContact O-CA 3.43Å; E620-G624 PolarHBondContact O-N 3.48Å; E620-I676 HydrophobicContact CG-CD1 4.42Å; E620-I676 HydrophobicContact CG-CG1 3.56Å; E620-I679 HydrophobicContact CG-CD1 4.3Å
621V88.4Confident88.5Confident24 Ų2446.5 Ų46.515%0.14525%0.249CC..Hα-helixtrans-59.5-46.1178.8167.70000110.7V617 L618 M625V617-V621 HydrophobicContact CG1-CG2 4.37Å; V617-V621 WeakPolarHBondContact O-CB 3.48Å; V617-V621 WeakPolarHBondContact O-CG2 3.46Å; V617-V621 PolarHBondContact O-N 3.1Å; L618-V621 PolarHBondContact O-N 2.92Å; V621-M625 HydrophobicContact CG1-CE 3.37Å; V621-M625 WeakPolarHBondContact O-CB 3.33Å; V621-M625 WeakPolarHBondContact O-CG 3.4Å; V621-M625 PolarHBondContact O-N 3.24Å
622Y90Very high88.2Confident160 Ų16044.3 Ų44.363%0.62724%0.239SC*.Hα-helixtrans-69.6-43.8179.1-68-54.6000113.4L618 Q619 E620 A626L618-Y622 HydrophobicContact CB-CD2 4.37Å; L618-Y622 HydrophobicContact CB-CE2 4.09Å; L618-Y622 HydrophobicContact CD2-CE2 4.39Å; L618-Y622 WeakPolarHBondContact O-CD2 3.43Å; L618-Y622 PolarHBondContact O-N 3.38Å; Q619-Y622 PolarHBondContact O-N 2.67Å; E620-Y622 PolarHBondContact O-N 3.2Å; Y622-A626 WeakPolarHBondContact O-CB 3.42Å; Y622-A626 PolarHBondContact O-N 3.13Å
623S90.2Very high87.9Confident34 Ų3444.2 Ų44.224%0.23824%0.241CC..Hα-helixtrans-72.9-40.1-178.4540000112.1V261 Q619 E620 A626 C627V261-S623 WeakPolarHBondContact CG1-OG 3.15Å; Q619-S623 VanDerWaalsContact O-CB 3.3Å; Q619-S623 WeakPolarHBondContact O-CB 3.43Å; Q619-S623 PolarHBondContact O-N 3.02Å; Q619-S623 PolarHBondContact O-OG 3.3Å; E620-S623 PolarHBondContact O-N 2.95Å; E620-S623 PolarHBondContact O-OG 3.21Å; S623-A626 PolarHBondContact O-N 3.47Å; S623-C627 PolarHBondContact O-N 2.77Å; S623-C627 PolarHBondContact O-SG 3.5Å
624G88.1Confident87.7Confident0 Ų050.5 Ų50.50%027%0.274CS..Hα-helixtrans-58.6-48.5170.600000111.9E620 A626 C627 M628E620-G624 WeakPolarHBondContact O-CA 3.43Å; E620-G624 PolarHBondContact O-N 3.48Å; G624-A626 VanDerWaalsContact C-N 3.32Å; G624-A626 PolarHBondContact O-N 3.49Å; G624-C627 PolarHBondContact O-N 2.82Å; G624-M628 WeakPolarHBondContact O-CB 3.35Å; G624-M628 WeakPolarHBondContact O-CG 3.19Å; G624-M628 PolarHBondContact O-N 3.47Å
625M85.9Confident87.3Confident36 Ų3650 Ų5018%0.17727%0.271CS..Hα-helixtrans-60.1-39.7174.2-75.9-168.2-147.200112.8V621 M628 V629 A650V621-M625 HydrophobicContact CG1-CE 3.37Å; V621-M625 WeakPolarHBondContact O-CB 3.33Å; V621-M625 WeakPolarHBondContact O-CG 3.4Å; V621-M625 PolarHBondContact O-N 3.24Å; M625-M628 WeakPolarHBondContact O-CB 3.49Å; M625-M628 PolarHBondContact O-N 3.01Å; M625-V629 WeakPolarHBondContact O-CG2 3.48Å; M625-V629 PolarHBondContact O-N 2.89Å; M625-A650 HydrophobicContact CE-CB 3.65Å; M625-A650 HydrophobicContact SD-CB 3.74Å
626A88.8Confident86.8Confident62 Ų6246.8 Ų46.851%0.51225%0.25SS..Hα-helixtrans-64.9-44.2178.200000112.2Y622 S623 G624 M628 V629 L630Y622-A626 WeakPolarHBondContact O-CB 3.42Å; Y622-A626 PolarHBondContact O-N 3.13Å; S623-A626 PolarHBondContact O-N 3.47Å; G624-A626 VanDerWaalsContact C-N 3.32Å; G624-A626 PolarHBondContact O-N 3.49Å; A626-M628 PolarHBondContact O-N 3.43Å; A626-V629 PolarHBondContact O-N 3.45Å; A626-L630 PolarHBondContact O-N 2.92Å
627C87.7Confident86.2Confident36 Ų3651.2 Ų51.224%0.24328%0.279CS..Hα-helixtrans-59.1-39.1171.7-74.30000111.1S623 G624 L630 I631S623-C627 PolarHBondContact O-N 2.77Å; S623-C627 PolarHBondContact O-SG 3.5Å; G624-C627 PolarHBondContact O-N 2.82Å; C627-L630 WeakPolarHBondContact O-CB 3.21Å; C627-L630 PolarHBondContact O-N 3.06Å; C627-I631 WeakPolarHBondContact O-CG1 3.17Å; C627-I631 PolarHBondContact O-N 3.26Å
628M86.3Confident85.8Confident5 Ų553.4 Ų53.43%0.02529%0.289CS..Hα-helixtrans-66.9-41.1179.8-76.1-47.4-41.700114.1T254 G624 M625 A626 L630 I631 A632 I649 I679 V683T254-M628 HydrophobicContact CG2-CE 3.96Å; T254-M628 HydrophobicContact CG2-SD 3.32Å; T254-M628 WeakPolarHBondContact CG2-SD 3.47Å; T254-M628 VanDerWaalsContact OG1-CE 3.23Å; T254-M628 WeakPolarHBondContact OG1-CE 3.3Å; T254-M628 PolarHBondContact OG1-SD 2.83Å; T254-M628 VanDerWaalsContact OG1-SD 3.37Å; G624-M628 WeakPolarHBondContact O-CB 3.35Å; G624-M628 WeakPolarHBondContact O-CG 3.19Å; G624-M628 PolarHBondContact O-N 3.47Å; M625-M628 WeakPolarHBondContact O-CB 3.49Å; M625-M628 PolarHBondContact O-N 3.01Å; A626-M628 PolarHBondContact O-N 3.43Å; M628-L630 VanDerWaalsContact C-N 3.27Å; M628-L630 PolarHBondContact O-N 2.83Å; M628-I631 PolarHBondContact O-N 3.42Å; M628-I631 HydrophobicContact SD-CD1 4.13Å; M628-A632 WeakPolarHBondContact O-CB 3.4Å; M628-A632 PolarHBondContact O-N 3.34Å; M628-I649 HydrophobicContact CB-CD1 4.33Å; M628-I649 HydrophobicContact CG-CD1 4.43Å; M628-I679 HydrophobicContact CG-CG2 4.27Å; M628-V683 HydrophobicContact CE-CB 4.04Å; M628-V683 HydrophobicContact CE-CG1 3.26Å; M628-V683 HydrophobicContact CE-CG2 3.59Å; M628-V683 HydrophobicContact CG-CG2 3.82Å; M628-V683 HydrophobicContact SD-CB 4.46Å; M628-V683 HydrophobicContact SD-CG1 4.24Å; M628-V683 HydrophobicContact SD-CG2 3.63Å
629V86.1Confident85.4Confident51 Ų5153.8 Ų53.831%0.30930%0.296SS..Hα-helixtrans-58.3-43.6172.6172.50000110.4M625 A626 A632 L633 T646M625-V629 WeakPolarHBondContact O-CG2 3.48Å; M625-V629 PolarHBondContact O-N 2.89Å; A626-V629 PolarHBondContact O-N 3.45Å; V629-A632 PolarHBondContact O-N 3.38Å; V629-L633 HydrophobicContact CG1-CD1 3.76Å; V629-L633 HydrophobicContact CG1-CG 4.26Å; V629-L633 WeakPolarHBondContact O-CB 3.33Å; V629-L633 WeakPolarHBondContact O-CG 3.47Å; V629-L633 PolarHBondContact O-N 3.05Å; V629-T646 HydrophobicContact CG2-CG2 3.47Å; V629-T646 VanDerWaalsContact CG2-CG2 3.47Å; V629-T646 WeakPolarHBondContact CG2-OG1 3.26Å
630L86.1Confident85Confident119 Ų11952.9 Ų52.962%0.62329%0.294SS*.Hα-helixtrans-62.5-47-179.2-176.566.8000112.1A626 C627 M628 L634A626-L630 PolarHBondContact O-N 2.92Å; C627-L630 WeakPolarHBondContact O-CB 3.21Å; C627-L630 PolarHBondContact O-N 3.06Å; M628-L630 VanDerWaalsContact C-N 3.27Å; M628-L630 PolarHBondContact O-N 2.83Å; L630-L634 WeakPolarHBondContact O-CB 3.31Å; L630-L634 PolarHBondContact O-N 3.37Å; L630-L634 VanDerWaalsContact O-N 3.1Å
631I84.8Confident84.9Confident7 Ų752.7 Ų52.74%0.03629%0.293CS..Hα-helixtrans-66-46.6179.2-62.8164.9000110.6L253 L257 C627 M628 L633 L634 L635L253-I631 HydrophobicContact CD2-CG2 4.35Å; L253-I631 HydrophobicContact CG-CD1 4.48Å; L257-I631 HydrophobicContact CB-CD1 4.17Å; L257-I631 HydrophobicContact CD1-CD1 3.45Å; L257-I631 VanDerWaalsContact CD1-CD1 3.45Å; L257-I631 HydrophobicContact CD1-CG1 3.81Å; L257-I631 HydrophobicContact CG-CD1 4.38Å; C627-I631 WeakPolarHBondContact O-CG1 3.17Å; C627-I631 PolarHBondContact O-N 3.26Å; M628-I631 PolarHBondContact O-N 3.42Å; M628-I631 HydrophobicContact SD-CD1 4.13Å; I631-L633 VanDerWaalsContact C-N 3.31Å; I631-L633 PolarHBondContact O-N 2.76Å; I631-L634 PolarHBondContact O-N 2.95Å; I631-L634 VanDerWaalsContact O-N 3.09Å; I631-L635 HydrophobicContact CG2-CD1 3.67Å; I631-L635 HydrophobicContact CG2-CG 4.44Å; I631-L635 PolarHBondContact O-N 2.97Å
632A81.4Confident84.8Confident6 Ų651.6 Ų51.65%0.0529%0.286CS..Hα-helixtrans-64.2-36.1-17900000111.5M628 V629 L634 I636 S642M628-A632 WeakPolarHBondContact O-CB 3.4Å; M628-A632 PolarHBondContact O-N 3.34Å; V629-A632 PolarHBondContact O-N 3.38Å; A632-L634 VanDerWaalsContact C-N 3.35Å; A632-I636 HydrophobicContact CB-CD1 4.13Å; A632-I636 WeakPolarHBondContact O-CA 3.17Å; A632-I636 WeakPolarHBondContact O-CB 3.46Å; A632-I636 WeakPolarHBondContact O-CG1 3.27Å; A632-I636 PolarHBondContact O-N 3.42Å; A632-S642 WeakPolarHBondContact CB-OG 3.43Å
633L85.5Confident84.6Confident86 Ų8647.8 Ų47.845%0.4528%0.279SS..Hα-helixtrans-68.6-31.1172.3-73.1174.3000113.5V629 I631 P639 S642V629-L633 HydrophobicContact CG1-CD1 3.76Å; V629-L633 HydrophobicContact CG1-CG 4.26Å; V629-L633 WeakPolarHBondContact O-CB 3.33Å; V629-L633 WeakPolarHBondContact O-CG 3.47Å; V629-L633 PolarHBondContact O-N 3.05Å; I631-L633 VanDerWaalsContact C-N 3.31Å; I631-L633 PolarHBondContact O-N 2.76Å; L633-P639 HydrophobicContact CD2-CB 3.62Å; L633-S642 PolarHBondContact N-OG 3.38Å
634L84.8Confident84.5Confident132 Ų13249.7 Ų49.769%0.69128%0.282SS*.Hα-helixtrans-77.2-40.5179.9-169.4152.2000111.7L630 I631 A632L630-L634 WeakPolarHBondContact O-CB 3.31Å; L630-L634 PolarHBondContact O-N 3.37Å; L630-L634 VanDerWaalsContact O-N 3.1Å; I631-L634 PolarHBondContact O-N 2.95Å; I631-L634 VanDerWaalsContact O-N 3.09Å; A632-L634 VanDerWaalsContact C-N 3.35Å
635L79.6Confident84.6Confident41 Ų4149.8 Ų49.822%0.21528%0.282CS..Hα-helixtrans-101.7-25.1-170.9-62.7173.4000113.8I250 L253 I631I250-L635 HydrophobicContact CB-CD1 4.1Å; I250-L635 HydrophobicContact CD1-CB 4.05Å; I250-L635 HydrophobicContact CG1-CB 3.69Å; I250-L635 HydrophobicContact CG1-CD1 3.39Å; I250-L635 HydrophobicContact CG1-CG 4.07Å; L253-L635 HydrophobicContact CD2-CD1 4.22Å; I631-L635 HydrophobicContact CG2-CD1 3.67Å; I631-L635 HydrophobicContact CG2-CG 4.44Å; I631-L635 PolarHBondContact O-N 2.97Å
636I79.9Confident84.7Confident3 Ų349 Ų492%0.01528%0.28CS..SBendtrans-95.8117.4175.5-52.7178000108.9A632 Q638 C641 V645 A690 T694A632-I636 HydrophobicContact CB-CD1 4.13Å; A632-I636 WeakPolarHBondContact O-CA 3.17Å; A632-I636 WeakPolarHBondContact O-CB 3.46Å; A632-I636 WeakPolarHBondContact O-CG1 3.27Å; A632-I636 PolarHBondContact O-N 3.42Å; I636-Q638 PolarHBondContact O-N 2.92Å; I636-C641 HydrophobicContact CG2-CB 4.07Å; I636-V645 HydrophobicContact CD1-CG2 4.34Å; I636-A690 HydrophobicContact CD1-CB 4.29Å; I636-T694 HydrophobicContact CG2-CG2 3.93Å
637P76.7Confident84.8Confident100 Ų10050.1 Ų50.165%0.64928%0.276SS*.SBendtrans-58.8-22.2-174.7-26.634.2000115.5
638Q82.1Confident85Confident51 Ų5148.4 Ų48.424%0.23827%0.265CS..  trans-110115.6-177.3-66.7-175.72.900111.8I636 L640 C641 S642 T694I636-Q638 PolarHBondContact O-N 2.92Å; Q638-L640 VanDerWaalsContact C-N 3.31Å; Q638-L640 PolarHBondContact O-N 2.91Å; Q638-C641 HydrophobicContact CB-CB 4.37Å; Q638-C641 WeakPolarHBondContact O-CB 3.46Å; Q638-C641 PolarHBondContact O-N 3.25Å; Q638-C641 VanDerWaalsContact O-N 3.12Å; Q638-S642 PolarHBondContact O-N 2.98Å; Q638-T694 HydrophobicContact CB-CG2 3.95Å; Q638-T694 HydrophobicContact CG-CG2 4.03Å
639P82.1Confident85.3Confident81 Ų8148.2 Ų48.253%0.52626%0.264SS..Hα-helixtrans-66.4-29.3-174.725.2-34.6000113.6L633 C641 S642 V643L633-P639 HydrophobicContact CD2-CB 3.62Å; P639-C641 VanDerWaalsContact C-N 3.32Å; P639-C641 PolarHBondContact O-N 3.16Å; P639-S642 VanDerWaalsContact O-CB 3.28Å; P639-S642 WeakPolarHBondContact O-CB 3.22Å; P639-S642 PolarHBondContact O-N 3.19Å; P639-V643 PolarHBondContact O-N 3.26Å; P639-V643 VanDerWaalsContact O-N 3.12Å
640L83.1Confident85.5Confident72 Ų7247.3 Ų47.338%0.37726%0.262SS..Hα-helixtrans-65.7-35.5176-68.9177.1000112.3Q638 S642 V643 W644 L769 L772Q638-L640 VanDerWaalsContact C-N 3.31Å; Q638-L640 PolarHBondContact O-N 2.91Å; L640-S642 VanDerWaalsContact C-N 3.3Å; L640-V643 PolarHBondContact O-N 3.29Å; L640-W644 PolarHBondContact O-N 3.38Å; L640-W644 VanDerWaalsContact O-N 3.14Å; L640-L769 HydrophobicContact CD1-CD2 4.12Å; L640-L772 HydrophobicContact CD1-CD1 4.3Å; L640-L772 HydrophobicContact CD1-CD2 3.99Å
641C85.2Confident86Confident1 Ų141.9 Ų41.91%0.00723%0.234CC..Hα-helixtrans-65.7-37.8174.7-68.10000110.7I636 Q638 P639 V643 W644 V645 T694I636-C641 HydrophobicContact CG2-CB 4.07Å; Q638-C641 HydrophobicContact CB-CB 4.37Å; Q638-C641 WeakPolarHBondContact O-CB 3.46Å; Q638-C641 PolarHBondContact O-N 3.25Å; Q638-C641 VanDerWaalsContact O-N 3.12Å; P639-C641 VanDerWaalsContact C-N 3.32Å; P639-C641 PolarHBondContact O-N 3.16Å; C641-V643 VanDerWaalsContact C-N 3.34Å; C641-V643 PolarHBondContact O-N 3.22Å; C641-W644 PolarHBondContact O-N 2.91Å; C641-V645 WeakPolarHBondContact O-CG2 3.46Å; C641-V645 PolarHBondContact O-N 3.4Å; C641-T694 HydrophobicContact CB-CG2 4.01Å; C641-T694 VanDerWaalsContact SG-CG2 3.53Å
642S85.8Confident86.4Confident1 Ų141.6 Ų41.61%0.00723%0.232CC..Hα-helixtrans-59.1-41.6173.2-177.40000112.6A632 L633 Q638 P639 L640 V645 T646A632-S642 WeakPolarHBondContact CB-OG 3.43Å; L633-S642 PolarHBondContact N-OG 3.38Å; Q638-S642 PolarHBondContact O-N 2.98Å; P639-S642 VanDerWaalsContact O-CB 3.28Å; P639-S642 WeakPolarHBondContact O-CB 3.22Å; P639-S642 PolarHBondContact O-N 3.19Å; L640-S642 VanDerWaalsContact C-N 3.3Å; S642-V645 PolarHBondContact O-N 3.19Å; S642-T646 PolarHBondContact O-N 3.08Å; S642-T646 PolarHBondContact O-OG1 3.08Å
643V86.4Confident86.9Confident79 Ų7941.6 Ų41.648%0.47923%0.231SC..Hα-helixtrans-63.1-46.2176.4174.90000110.7P639 L640 C641 V645 T646 L647P639-V643 PolarHBondContact O-N 3.26Å; P639-V643 VanDerWaalsContact O-N 3.12Å; L640-V643 PolarHBondContact O-N 3.29Å; C641-V643 VanDerWaalsContact C-N 3.34Å; C641-V643 PolarHBondContact O-N 3.22Å; V643-V645 PolarHBondContact O-N 3.24Å; V643-T646 WeakPolarHBondContact O-CB 3.32Å; V643-T646 PolarHBondContact O-N 3.43Å; V643-L647 HydrophobicContact CG1-CD1 4.23Å; V643-L647 WeakPolarHBondContact O-CG 3.38Å; V643-L647 PolarHBondContact O-N 2.99Å
644W89.2Confident87.2Confident75 Ų7539.9 Ų39.928%0.28422%0.222SC..Hα-helixtrans-63.5-41.1177.9-75.8113.6000112.9L640 C641 T646 L647 M648 L760 L763 L764 A767L640-W644 PolarHBondContact O-N 3.38Å; L640-W644 VanDerWaalsContact O-N 3.14Å; C641-W644 PolarHBondContact O-N 2.91Å; W644-T646 VanDerWaalsContact C-N 3.31Å; W644-T646 PolarHBondContact O-N 3.44Å; W644-L647 HydrophobicContact CE3-CD1 3.88Å; W644-L647 HydrophobicContact CZ3-CD1 3.99Å; W644-L647 PolarHBondContact O-N 3.44Å; W644-M648 WeakPolarHBondContact O-CG 3.22Å; W644-M648 PolarHBondContact O-N 3.25Å; W644-L760 HydrophobicContact CB-CD1 4.24Å; W644-L763 HydrophobicContact CE3-CB 4.3Å; W644-L763 HydrophobicContact CE3-CD1 4.3Å; W644-L763 HydrophobicContact CZ3-CB 4.41Å; W644-L763 HydrophobicContact CZ3-CD1 4.23Å; W644-L763 HydrophobicContact CZ3-CD2 4.23Å; W644-L764 HydrophobicContact CB-CD2 4.15Å; W644-L764 HydrophobicContact CG-CD2 4.28Å; W644-A767 HydrophobicContact CZ2-CB 3.76Å
645V89.6Confident87.7Confident1 Ų133.6 Ų33.61%0.00619%0.19CC..Hα-helixtrans-59.4-44.5174.1170.20000110.6I636 C641 S642 V643 L647 M648 I649 A690I636-V645 HydrophobicContact CD1-CG2 4.34Å; C641-V645 WeakPolarHBondContact O-CG2 3.46Å; C641-V645 PolarHBondContact O-N 3.4Å; S642-V645 PolarHBondContact O-N 3.19Å; V643-V645 PolarHBondContact O-N 3.24Å; V645-L647 PolarHBondContact O-N 3.04Å; V645-M648 WeakPolarHBondContact O-CB 3.31Å; V645-M648 PolarHBondContact O-N 2.63Å; V645-M648 VanDerWaalsContact O-N 3.13Å; V645-I649 HydrophobicContact CG1-CD1 3.84Å; V645-I649 WeakPolarHBondContact O-CD1 3.44Å; V645-I649 WeakPolarHBondContact O-CG1 3.34Å; V645-I649 PolarHBondContact O-N 3.05Å; V645-A690 HydrophobicContact CG2-CB 3.44Å; V645-A690 VanDerWaalsContact CG2-CB 3.44Å
646T88.2Confident88.4Confident21 Ų2131.7 Ų31.713%0.12918%0.179CC..Hα-helixtrans-61.6-43.1176.9-51.40000111.9V629 S642 V643 W644 M648 I649 A650V629-T646 HydrophobicContact CG2-CG2 3.47Å; V629-T646 VanDerWaalsContact CG2-CG2 3.47Å; V629-T646 WeakPolarHBondContact CG2-OG1 3.26Å; S642-T646 PolarHBondContact O-N 3.08Å; S642-T646 PolarHBondContact O-OG1 3.08Å; V643-T646 WeakPolarHBondContact O-CB 3.32Å; V643-T646 PolarHBondContact O-N 3.43Å; W644-T646 VanDerWaalsContact C-N 3.31Å; W644-T646 PolarHBondContact O-N 3.44Å; T646-M648 VanDerWaalsContact C-N 3.29Å; T646-M648 PolarHBondContact O-N 3.3Å; T646-I649 PolarHBondContact O-N 3.43Å; T646-A650 PolarHBondContact O-N 3.07Å
647L90.9Very high89Confident84 Ų8432.6 Ų32.644%0.4419%0.185SC..Hα-helixtrans-63.6-34175.5-69.9174.9000112.4V643 W644 V645 S651V643-L647 HydrophobicContact CG1-CD1 4.23Å; V643-L647 WeakPolarHBondContact O-CG 3.38Å; V643-L647 PolarHBondContact O-N 2.99Å; W644-L647 HydrophobicContact CE3-CD1 3.88Å; W644-L647 HydrophobicContact CZ3-CD1 3.99Å; W644-L647 PolarHBondContact O-N 3.44Å; V645-L647 PolarHBondContact O-N 3.04Å; L647-S651 VanDerWaalsContact O-CB 3.28Å; L647-S651 WeakPolarHBondContact O-CB 3.36Å; L647-S651 PolarHBondContact O-N 3.18Å
648M92.2Very high89.8Confident1 Ų127.8 Ų27.81%0.00515%0.154CC..Hα-helixtrans-67.9-43.3174-66.8-589000111.6Y401 W644 V645 T646 S651 I652 F759 L760 L763Y401-M648 HydrophobicContact CE2-CE 4.26Å; Y401-M648 WeakPolarHBondContact OH-CE 3.44Å; W644-M648 WeakPolarHBondContact O-CG 3.22Å; W644-M648 PolarHBondContact O-N 3.25Å; V645-M648 WeakPolarHBondContact O-CB 3.31Å; V645-M648 PolarHBondContact O-N 2.63Å; V645-M648 VanDerWaalsContact O-N 3.13Å; T646-M648 VanDerWaalsContact C-N 3.29Å; T646-M648 PolarHBondContact O-N 3.3Å; M648-S651 WeakPolarHBondContact O-CB 3.41Å; M648-S651 PolarHBondContact O-N 3.14Å; M648-S651 VanDerWaalsContact O-N 3.16Å; M648-I652 WeakPolarHBondContact O-CD1 3.29Å; M648-I652 WeakPolarHBondContact O-CG1 3.3Å; M648-I652 PolarHBondContact O-N 3.03Å; M648-F759 HydrophobicContact SD-CB 4.25Å; M648-L760 HydrophobicContact CG-CB 4.09Å; M648-L760 HydrophobicContact CG-CD1 3.82Å; M648-L760 HydrophobicContact CG-CG 4.45Å; M648-L760 HydrophobicContact SD-CB 4.36Å; M648-L763 HydrophobicContact CE-CD1 3.23Å; M648-L763 HydrophobicContact SD-CD1 3.75Å
649I91.1Very high90.4Very high1 Ų128.3 Ų28.31%0.00515%0.154CC..Hα-helixtrans-59.7-50177-63.7154.8000110.1M628 V645 T646 S651 I652 D653 V683M628-I649 HydrophobicContact CB-CD1 4.33Å; M628-I649 HydrophobicContact CG-CD1 4.43Å; V645-I649 HydrophobicContact CG1-CD1 3.84Å; V645-I649 WeakPolarHBondContact O-CD1 3.44Å; V645-I649 WeakPolarHBondContact O-CG1 3.34Å; V645-I649 PolarHBondContact O-N 3.05Å; T646-I649 PolarHBondContact O-N 3.43Å; I649-S651 PolarHBondContact O-N 3.48Å; I649-I652 PolarHBondContact O-N 3.45Å; I649-D653 PolarHBondContact O-N 3.4Å; I649-V683 HydrophobicContact CD1-CB 4.21Å; I649-V683 HydrophobicContact CD1-CG1 4.42Å; I649-V683 HydrophobicContact CD1-CG2 3.37Å; I649-V683 HydrophobicContact CG1-CG2 3.77Å
650A92Very high90.9Very high32 Ų3224.8 Ų24.826%0.26413%0.131SC..Hα-helixtrans-57.4-37.8176.200000112.9M625 T646 L654M625-A650 HydrophobicContact CE-CB 3.65Å; M625-A650 HydrophobicContact SD-CB 3.74Å; T646-A650 PolarHBondContact O-N 3.07Å; A650-L654 WeakPolarHBondContact O-CB 3.4Å; A650-L654 PolarHBondContact O-N 2.95Å
651S94.6Very high91.3Very high5 Ų522.1 Ų22.14%0.03512%0.117CC..Hα-helixtrans-69.6-37.8176.7-166.30000112.6Y401 Y404 L405 L647 M648 I649 G655 H755Y401-S651 VanDerWaalsContact CE2-OG 3.32Å; Y401-S651 WeakPolarHBondContact CE2-OG 3.43Å; Y401-S651 VanDerWaalsContact OH-CB 3.31Å; Y401-S651 WeakPolarHBondContact OH-CB 3.47Å; Y401-S651 PolarHBondContact OH-OG 3.46Å; Y404-S651 WeakPolarHBondContact CE1-O 3.48Å; Y404-S651 WeakPolarHBondContact CE1-OG 3.16Å; Y404-S651 PolarHBondContact OH-O 3.49Å; L405-S651 WeakPolarHBondContact CD2-OG 3.36Å; L647-S651 VanDerWaalsContact O-CB 3.28Å; L647-S651 WeakPolarHBondContact O-CB 3.36Å; L647-S651 PolarHBondContact O-N 3.18Å; M648-S651 WeakPolarHBondContact O-CB 3.41Å; M648-S651 PolarHBondContact O-N 3.14Å; M648-S651 VanDerWaalsContact O-N 3.16Å; I649-S651 PolarHBondContact O-N 3.48Å; S651-G655 PolarHBondContact O-N 2.9Å; S651-G655 VanDerWaalsContact O-N 3.08Å; S651-H755 PolarHBondContact OG-NE2 3.03Å
652I94Very high91.6Very high0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-66.4-51.2176.2-65.8158.1000109.4M648 I649 L654 G655 V656 V751 H755M648-I652 WeakPolarHBondContact O-CD1 3.29Å; M648-I652 WeakPolarHBondContact O-CG1 3.3Å; M648-I652 PolarHBondContact O-N 3.03Å; I649-I652 PolarHBondContact O-N 3.45Å; I652-L654 VanDerWaalsContact C-N 3.34Å; I652-L654 PolarHBondContact O-N 2.81Å; I652-G655 CarbonylContact O-C 3.58Å; I652-G655 PolarHBondContact O-N 3.5Å; I652-G655 VanDerWaalsContact O-N 3.07Å; I652-V656 HydrophobicContact CG2-CG2 4.19Å; I652-V656 VanDerWaalsContact O-CG2 3.31Å; I652-V656 WeakPolarHBondContact O-CG2 3.39Å; I652-V656 PolarHBondContact O-N 2.92Å; I652-V751 HydrophobicContact CB-CG1 4.21Å; I652-V751 HydrophobicContact CG1-CG1 4.08Å; I652-V751 HydrophobicContact CG2-CG1 3.93Å; I652-H755 HydrophobicContact CD1-CB 3.66Å; I652-H755 HydrophobicContact CG1-CB 3.87Å; I652-H755 VanDerWaalsContact CG1-CG 3.45Å
653D91.7Very high91.9Very high6 Ų630.7 Ų30.73%0.03216%0.155CC..Hα-helixtrans-62.3-41.3-179.6-66.6-33.6000112I649 G655 V656 V657 S678 I679I649-D653 PolarHBondContact O-N 3.4Å; D653-G655 VanDerWaalsContact C-N 3.29Å; D653-G655 PolarHBondContact O-N 3.4Å; D653-V656 PolarHBondContact O-N 3.4Å; D653-V657 WeakPolarHBondContact O-CG2 3.36Å; D653-V657 PolarHBondContact O-N 2.96Å; D653-S678 WeakPolarHBondContact OD1-CB 3.2Å; D653-S678 PolarHBondContact OD1-OG 2.99Å; D653-I679 WeakPolarHBondContact OD2-CG1 3.32Å
654L93.3Very high91.9Very high51 Ų5132.6 Ų32.627%0.26716%0.162SC..Hα-helixtrans-58.5-42.3173.7-179.167.3000111.7L405 L409 C412 A650 I652 G658L405-L654 HydrophobicContact CD2-CD2 4.12Å; L409-L654 HydrophobicContact CD2-CD1 4.11Å; L409-L654 HydrophobicContact CD2-CD2 4.03Å; L409-L654 HydrophobicContact CG-CD2 4.14Å; C412-L654 VanDerWaalsContact SG-CD1 3.57Å; A650-L654 WeakPolarHBondContact O-CB 3.4Å; A650-L654 PolarHBondContact O-N 2.95Å; I652-L654 VanDerWaalsContact C-N 3.34Å; I652-L654 PolarHBondContact O-N 2.81Å; L654-G658 PolarHBondContact O-N 2.89Å
655G94.4Very high91.9Very high0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-70.1-39.7175.100000113.2Y404 S408 S651 I652 D653 V657 G658 Y659Y404-G655 VanDerWaalsContact OH-CA 3.27Å; Y404-G655 WeakPolarHBondContact OH-CA 3.36Å; S408-G655 WeakPolarHBondContact OG-CA 3.3Å; S651-G655 PolarHBondContact O-N 2.9Å; S651-G655 VanDerWaalsContact O-N 3.08Å; I652-G655 CarbonylContact O-C 3.58Å; I652-G655 PolarHBondContact O-N 3.5Å; I652-G655 VanDerWaalsContact O-N 3.07Å; D653-G655 VanDerWaalsContact C-N 3.29Å; D653-G655 PolarHBondContact O-N 3.4Å; G655-V657 PolarHBondContact O-N 3.41Å; G655-G658 PolarHBondContact O-N 3.2Å; G655-Y659 WeakPolarHBondContact O-CB 3.45Å; G655-Y659 WeakPolarHBondContact O-CD2 3.41Å; G655-Y659 PolarHBondContact O-N 2.86Å
656V94Very high91.8Very high0 Ų030.5 Ų30.50%016%0.158CC..Hα-helixtrans-59.6-50.8177.3174.90000109.4I652 D653 G658 Y659 M660 L675 L747 V748I652-V656 HydrophobicContact CG2-CG2 4.19Å; I652-V656 VanDerWaalsContact O-CG2 3.31Å; I652-V656 WeakPolarHBondContact O-CG2 3.39Å; I652-V656 PolarHBondContact O-N 2.92Å; D653-V656 PolarHBondContact O-N 3.4Å; V656-G658 PolarHBondContact O-N 3.44Å; V656-Y659 PolarHBondContact O-N 2.86Å; V656-M660 HydrophobicContact CG1-CG 4.43Å; V656-M660 HydrophobicContact CG1-SD 3.94Å; V656-M660 VanDerWaalsContact O-CB 3.28Å; V656-M660 WeakPolarHBondContact O-CB 3.34Å; V656-M660 WeakPolarHBondContact O-CG 3.49Å; V656-M660 PolarHBondContact O-N 3.38Å; V656-L675 HydrophobicContact CB-CD2 4.33Å; V656-L675 HydrophobicContact CG1-CD2 3.72Å; V656-L747 HydrophobicContact CB-CD2 4.38Å; V656-L747 HydrophobicContact CG1-CD2 4.17Å; V656-L747 HydrophobicContact CG2-CG 4.33Å; V656-L747 WeakPolarHBondContact O-CD2 3Å; V656-V748 HydrophobicContact CG1-CG2 4Å; V656-V748 HydrophobicContact CG2-CB 4.5Å; V656-V748 HydrophobicContact CG2-CG2 3.74Å
657V92.7Very high91.8Very high22 Ų2229.8 Ų29.813%0.13315%0.153CC..Hα-helixtrans-60-45.4175.6176.90000111.5L415 D653 G655 M660 T661 M667 L675L415-V657 HydrophobicContact CD1-CG1 4.21Å; D653-V657 WeakPolarHBondContact O-CG2 3.36Å; D653-V657 PolarHBondContact O-N 2.96Å; G655-V657 PolarHBondContact O-N 3.41Å; V657-M660 WeakPolarHBondContact O-CB 3.49Å; V657-M660 PolarHBondContact O-N 3.47Å; V657-T661 WeakPolarHBondContact O-CG2 3.45Å; V657-T661 PolarHBondContact O-N 2.96Å; V657-M667 HydrophobicContact CG1-CE 3.88Å; V657-M667 HydrophobicContact CG2-CE 4.29Å; V657-L675 HydrophobicContact CG2-CD1 4Å; V657-L675 HydrophobicContact CG2-CD2 3.6Å; V657-L675 HydrophobicContact CG2-CG 4.48Å
658G94.2Very high91.6Very high0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-65.8-42.8-179.200000114.1S408 G411 L654 G655 V656 T661 L662S408-G658 WeakPolarHBondContact O-CA 3.41Å; G411-G658 WeakPolarHBondContact CA-O 3.26Å; L654-G658 PolarHBondContact O-N 2.89Å; G655-G658 PolarHBondContact O-N 3.2Å; V656-G658 PolarHBondContact O-N 3.44Å; G658-T661 PolarHBondContact O-OG1 3.44Å; G658-L662 WeakPolarHBondContact O-CG 3.48Å; G658-L662 PolarHBondContact O-N 3.21Å
659Y94.9Very high91.4Very high62 Ų6226.6 Ų26.624%0.24314%0.137CC..Hα-helixtrans-76.9-25.1178.4-75.1-71000112.4Y404 T407 G655 V656 T661 L662 W663 L747Y404-Y659 AromaticContact CD2-CE2 3.87Å; Y404-Y659 HydrophobicContact CD2-CE2 3.87Å; Y404-Y659 HydrophobicContact CE2-CD2 4.47Å; Y404-Y659 AromaticContact CE2-CE2 3.68Å; Y404-Y659 HydrophobicContact CE2-CE2 3.68Å; T407-Y659 PolarHBondContact OG1-OH 3.31Å; G655-Y659 WeakPolarHBondContact O-CB 3.45Å; G655-Y659 WeakPolarHBondContact O-CD2 3.41Å; G655-Y659 PolarHBondContact O-N 2.86Å; V656-Y659 PolarHBondContact O-N 2.86Å; Y659-T661 VanDerWaalsContact C-N 3.35Å; Y659-L662 HydrophobicContact CD1-CD1 3.85Å; Y659-L662 HydrophobicContact CE1-CD1 4.17Å; Y659-L662 PolarHBondContact O-N 3.27Å; Y659-W663 WeakPolarHBondContact O-CB 3.45Å; Y659-W663 PolarHBondContact O-N 3.44Å; Y659-L747 HydrophobicContact CD2-CD1 4.12Å; Y659-L747 HydrophobicContact CG-CD1 4.04Å
660M92.4Very high91.2Very high6 Ų626.6 Ų26.63%0.0314%0.138CC..Hα-helixtrans-58.8-45.7170.8-82.1177.168.800112V656 V657 W663 N664 L665 L675 T744 L747V656-M660 HydrophobicContact CG1-CG 4.43Å; V656-M660 HydrophobicContact CG1-SD 3.94Å; V656-M660 VanDerWaalsContact O-CB 3.28Å; V656-M660 WeakPolarHBondContact O-CB 3.34Å; V656-M660 WeakPolarHBondContact O-CG 3.49Å; V656-M660 PolarHBondContact O-N 3.38Å; V657-M660 WeakPolarHBondContact O-CB 3.49Å; V657-M660 PolarHBondContact O-N 3.47Å; M660-W663 CarbonylContact O-C 3.29Å; M660-W663 WeakPolarHBondContact O-CA 3.23Å; M660-W663 PolarHBondContact O-N 3.12Å; M660-W663 VanDerWaalsContact O-N 3.13Å; M660-N664 PolarHBondContact O-N 2.97Å; M660-L665 HydrophobicContact CB-CB 4.38Å; M660-L665 HydrophobicContact CE-CB 4.39Å; M660-L665 HydrophobicContact CG-CD1 4.42Å; M660-L665 WeakPolarHBondContact O-CB 3.18Å; M660-L665 PolarHBondContact O-N 3.39Å; M660-L675 HydrophobicContact SD-CD2 4.26Å; M660-T744 HydrophobicContact CE-CG2 3.56Å; M660-T744 HydrophobicContact CG-CG2 3.82Å; M660-T744 HydrophobicContact SD-CG2 3.6Å; M660-L747 HydrophobicContact CG-CD2 4.14Å
661T91.2Very high91.1Very high16 Ų1625.2 Ų25.210%0.09813%0.126CC..Hα-helixtrans-66.7-39.2177.863.40000111.4G411 L415 V657 G658 Y659 W663 N664G411-T661 WeakPolarHBondContact CA-OG1 3.22Å; G411-T661 WeakPolarHBondContact O-CB 3.25Å; G411-T661 PolarHBondContact O-OG1 3.4Å; L415-T661 HydrophobicContact CB-CG2 4.17Å; L415-T661 HydrophobicContact CD1-CG2 3.43Å; L415-T661 VanDerWaalsContact CD1-CG2 3.43Å; L415-T661 HydrophobicContact CG-CG2 4.4Å; V657-T661 WeakPolarHBondContact O-CG2 3.45Å; V657-T661 PolarHBondContact O-N 2.96Å; G658-T661 PolarHBondContact O-OG1 3.44Å; Y659-T661 VanDerWaalsContact C-N 3.35Å; T661-W663 PolarHBondContact O-N 3.29Å; T661-N664 WeakPolarHBondContact O-CA 3.13Å; T661-N664 PolarHBondContact O-N 3.05Å
662L91.6Very high90.8Very high75 Ų7525 Ų2539%0.39313%0.125SC..Hα-helixtrans-64.5-25.2173.9-64175.1000112.7Y410 G658 Y659 N664Y410-L662 HydrophobicContact CD1-CD2 4.18Å; Y410-L662 HydrophobicContact CE1-CD2 4.16Å; G658-L662 WeakPolarHBondContact O-CG 3.48Å; G658-L662 PolarHBondContact O-N 3.21Å; Y659-L662 HydrophobicContact CD1-CD1 3.85Å; Y659-L662 HydrophobicContact CE1-CD1 4.17Å; Y659-L662 PolarHBondContact O-N 3.27Å; L662-N664 VanDerWaalsContact C-N 3.28Å
663W90.9Very high90.6Very high108 Ų10825.2 Ų25.241%0.40913%0.125SC..THydrogen-bonded Turntrans-87.610.6171.8-84.413000114.1Y659 M660 T661 L665 K743 L746Y659-W663 WeakPolarHBondContact O-CB 3.45Å; Y659-W663 PolarHBondContact O-N 3.44Å; M660-W663 CarbonylContact O-C 3.29Å; M660-W663 WeakPolarHBondContact O-CA 3.23Å; M660-W663 PolarHBondContact O-N 3.12Å; M660-W663 VanDerWaalsContact O-N 3.13Å; T661-W663 PolarHBondContact O-N 3.29Å; W663-L665 HydrophobicContact CB-CG 4.39Å; W663-L665 PolarHBondContact O-N 2.97Å; W663-K743 HydrophobicContact CE3-CB 3.72Å; W663-K743 HydrophobicContact CE3-CD 4.12Å; W663-K743 HydrophobicContact CE3-CG 3.94Å; W663-K743 HydrophobicContact CZ3-CB 3.59Å; W663-K743 HydrophobicContact CZ3-CD 4.47Å; W663-K743 HydrophobicContact CZ3-CG 3.81Å; W663-K743 WeakPolarHBondContact CZ3-O 3.46Å; W663-L746 HydrophobicContact CH2-CD2 4.33Å
664N88.2Confident90.5Very high119 Ų11925 Ų2564%0.63612%0.124SC*.THydrogen-bonded Turntrans53.935.6-176.6-63.5-63.5000112.8M660 T661 L662M660-N664 PolarHBondContact O-N 2.97Å; T661-N664 WeakPolarHBondContact O-CA 3.13Å; T661-N664 PolarHBondContact O-N 3.05Å; L662-N664 VanDerWaalsContact C-N 3.28Å
665L88.8Confident90.3Very high10 Ų1022.8 Ų22.85%0.05211%0.113CC..  trans-94.2115.1169.9-64.8175.4000108.7M660 W663 Y736 A740 K743 T744M660-L665 HydrophobicContact CB-CB 4.38Å; M660-L665 HydrophobicContact CE-CB 4.39Å; M660-L665 HydrophobicContact CG-CD1 4.42Å; M660-L665 WeakPolarHBondContact O-CB 3.18Å; M660-L665 PolarHBondContact O-N 3.39Å; W663-L665 HydrophobicContact CB-CG 4.39Å; W663-L665 PolarHBondContact O-N 2.97Å; L665-Y736 HydrophobicContact CD2-CE2 4.3Å; L665-A740 HydrophobicContact CD2-CB 4.29Å; L665-K743 HydrophobicContact CD1-CB 3.85Å; L665-K743 HydrophobicContact CD1-CD 4.06Å; L665-K743 HydrophobicContact CD2-CD 4.14Å; L665-K743 HydrophobicContact CG-CD 4.44Å; L665-T744 HydrophobicContact CD1-CG2 3.98Å
666P87.5Confident90.1Very high21 Ų2122.9 Ų22.914%0.13611%0.113CC..  trans-66.6155.6173.329.4-35.8000111.2R416 D668 Y736R416-P666 HydrophobicContact CB-CB 4.46Å; R416-P666 CarbonylContact O-C 3.52Å; R416-P666 WeakPolarHBondContact O-CA 3.45Å; P666-D668 PolarHBondContact O-N 3.42Å; P666-Y736 WeakPolarHBondContact CD-OH 3.3Å; P666-Y736 VanDerWaalsContact CG-OH 3.22Å; P666-Y736 WeakPolarHBondContact CG-OH 3.29Å
667M87.1Confident89.7Confident6 Ų623 Ų233%0.0311%0.114CC..BIsolated β-bridgetrans-80.4101.9170.7-171.9172.4-85.600109.1L415 R416 G418 I613 L614 V617 V657 S671 L675L415-M667 HydrophobicContact CD1-CB 3.94Å; L415-M667 HydrophobicContact CD1-CE 3.85Å; L415-M667 HydrophobicContact CD1-SD 4.32Å; L415-M667 HydrophobicContact CD2-CE 4.01Å; L415-M667 HydrophobicContact CD2-SD 3.87Å; L415-M667 HydrophobicContact CG-CB 4.39Å; R416-M667 PolarHBondContact O-N 3.35Å; G418-M667 PolarHBondContact N-O 3.26Å; I613-M667 HydrophobicContact CG2-CG 3.87Å; L614-M667 HydrophobicContact CD1-SD 4.13Å; V617-M667 HydrophobicContact CB-SD 4.21Å; V617-M667 HydrophobicContact CG1-CE 3.93Å; V617-M667 HydrophobicContact CG1-SD 4.1Å; V617-M667 HydrophobicContact CG2-CG 4.31Å; V617-M667 HydrophobicContact CG2-SD 3.92Å; V657-M667 HydrophobicContact CG1-CE 3.88Å; V657-M667 HydrophobicContact CG2-CE 4.29Å; M667-S671 WeakPolarHBondContact CA-OG 3.36Å; M667-L675 HydrophobicContact CE-CD1 4.04Å
668D87.9Confident89.3Confident0 Ų022 Ų220%011%0.108CC..  trans-121.5178.717856.734000112.3L419 P666 I670 S671 M672 Y736L419-D668 HydrophobicContact CB-CB 3.65Å; L419-D668 HydrophobicContact CD1-CB 3.88Å; L419-D668 HydrophobicContact CD2-CB 4.43Å; L419-D668 HydrophobicContact CG-CB 4.18Å; P666-D668 PolarHBondContact O-N 3.42Å; D668-I670 PolarHBondContact O-N 2.72Å; D668-I670 WeakPolarHBondContact OD1-CA 3.35Å; D668-I670 WeakPolarHBondContact OD1-CB 3.48Å; D668-I670 PolarHBondContact OD1-N 2.89Å; D668-S671 PolarHBondContact N-OG 3.45Å; D668-S671 PolarHBondContact O-N 2.88Å; D668-S671 PolarHBondContact O-OG 3.16Å; D668-S671 WeakPolarHBondContact OD1-CB 3.36Å; D668-S671 PolarHBondContact OD1-N 3.14Å; D668-S671 PolarHBondContact OD1-OG 3.24Å; D668-M672 PolarHBondContact O-N 3.34Å; D668-Y736 VanDerWaalsContact OD2-CE1 3.3Å; D668-Y736 WeakPolarHBondContact OD2-CE1 3.39Å; D668-Y736 PolarHBondContact OD2-OH 3.34Å
669C86.9Confident88.9Confident18 Ų1822 Ų2212%0.12211%0.108CC..Hα-helixtrans-62.6-25.7176.764.70000113.6I673C669-I673 WeakPolarHBondContact O-CG1 3.32Å; C669-I673 PolarHBondContact O-N 3.02Å
670I87.9Confident88.3Confident2 Ų219.1 Ų19.11%0.0110%0.096CC..Hα-helixtrans-73.2-47.2178.5-66.7156.9000109.6L419 L424 D668 M672 I673 T674 M737 A740 F741L419-I670 HydrophobicContact CD1-CD1 4.39Å; L419-I670 HydrophobicContact CD2-CD1 4.46Å; L424-I670 HydrophobicContact CD2-CD1 4.16Å; D668-I670 PolarHBondContact O-N 2.72Å; D668-I670 WeakPolarHBondContact OD1-CA 3.35Å; D668-I670 WeakPolarHBondContact OD1-CB 3.48Å; D668-I670 PolarHBondContact OD1-N 2.89Å; I670-M672 VanDerWaalsContact C-N 3.26Å; I670-M672 PolarHBondContact O-N 2.91Å; I670-I673 WeakPolarHBondContact O-CB 3.33Å; I670-I673 PolarHBondContact O-N 3.19Å; I670-I673 VanDerWaalsContact O-N 3.15Å; I670-T674 PolarHBondContact O-N 3.15Å; I670-M737 HydrophobicContact CD1-CB 3.79Å; I670-M737 HydrophobicContact CD1-CG 3.65Å; I670-M737 HydrophobicContact CD1-SD 4.48Å; I670-M737 HydrophobicContact CG1-CG 4.08Å; I670-M737 HydrophobicContact CG2-CG 4.31Å; I670-A740 HydrophobicContact CG2-CB 4.35Å; I670-F741 HydrophobicContact CG2-CD2 3.6Å; I670-F741 HydrophobicContact CG2-CE2 3.43Å; I670-F741 VanDerWaalsContact CG2-CE2 3.43Å; I670-F741 HydrophobicContact CG2-CG 4.34Å; I670-F741 HydrophobicContact CG2-CZ 4.04Å
671S88.4Confident87.8Confident3 Ų319 Ų192%0.02110%0.096CC..Hα-helixtrans-58.7-38.5173.969.40000112M667 D668 I673 T674 L675M667-S671 WeakPolarHBondContact CA-OG 3.36Å; D668-S671 PolarHBondContact N-OG 3.45Å; D668-S671 PolarHBondContact O-N 2.88Å; D668-S671 PolarHBondContact O-OG 3.16Å; D668-S671 WeakPolarHBondContact OD1-CB 3.36Å; D668-S671 PolarHBondContact OD1-N 3.14Å; D668-S671 PolarHBondContact OD1-OG 3.24Å; S671-I673 VanDerWaalsContact C-N 3.34Å; S671-I673 PolarHBondContact O-N 3.17Å; S671-T674 WeakPolarHBondContact CA-OG1 3.17Å; S671-T674 CarbonylContact O-C 3.38Å; S671-T674 PolarHBondContact O-N 3.41Å; S671-T674 VanDerWaalsContact O-N 3.08Å; S671-T674 PolarHBondContact O-OG1 3.04Å; S671-L675 WeakPolarHBondContact O-CG 3.23Å; S671-L675 PolarHBondContact O-N 3Å
672M89.6Confident87.4Confident1 Ų118.3 Ų18.31%0.0059%0.091CC..Hα-helixtrans-59.8-43.1175.7-172.1178.770.600111.7T265 F267 V270 N616 V617 D668 I670 T674 L675 I676T265-M672 HydrophobicContact CG2-CE 4.14Å; T265-M672 HydrophobicContact CG2-SD 4.27Å; F267-M672 HydrophobicContact CB-CE 4.32Å; F267-M672 HydrophobicContact CD2-CE 3.37Å; F267-M672 HydrophobicContact CD2-SD 4.05Å; F267-M672 HydrophobicContact CE2-CE 4.04Å; F267-M672 HydrophobicContact CE2-SD 4.16Å; F267-M672 HydrophobicContact CG-CE 4.19Å; V270-M672 HydrophobicContact CB-CE 3.71Å; V270-M672 HydrophobicContact CG1-CE 3.62Å; V270-M672 HydrophobicContact CG2-CE 3.18Å; N616-M672 HydrophobicContact CB-SD 3.96Å; V617-M672 HydrophobicContact CG2-CB 4.06Å; V617-M672 HydrophobicContact CG2-CG 3.74Å; V617-M672 HydrophobicContact CG2-SD 4.07Å; D668-M672 PolarHBondContact O-N 3.34Å; I670-M672 VanDerWaalsContact C-N 3.26Å; I670-M672 PolarHBondContact O-N 2.91Å; M672-T674 VanDerWaalsContact C-N 3.29Å; M672-T674 PolarHBondContact O-N 3.06Å; M672-L675 PolarHBondContact O-N 3.46Å; M672-I676 HydrophobicContact CG-CD1 4.38Å; M672-I676 WeakPolarHBondContact O-CG1 3.45Å; M672-I676 PolarHBondContact O-N 2.98Å
673I90Very high87Confident3 Ų314.8 Ų14.82%0.0157%0.073CC..Hα-helixtrans-58.3-44.3173.8-65.9170.1000110.6V201 V270 F273 C669 I670 S671 L675 I676 M677 F741V201-I673 HydrophobicContact CG1-CD1 3.41Å; V201-I673 VanDerWaalsContact CG1-CD1 3.41Å; V270-I673 HydrophobicContact CB-CG1 4.26Å; V270-I673 HydrophobicContact CG1-CG1 4.15Å; V270-I673 HydrophobicContact CG2-CD1 3.97Å; V270-I673 HydrophobicContact CG2-CG1 3.64Å; F273-I673 HydrophobicContact CB-CD1 4.22Å; F273-I673 HydrophobicContact CD1-CG2 3.41Å; F273-I673 VanDerWaalsContact CD1-CG2 3.41Å; F273-I673 HydrophobicContact CD2-CD1 4.46Å; F273-I673 HydrophobicContact CD2-CG2 4.01Å; F273-I673 HydrophobicContact CE1-CG2 3.31Å; F273-I673 HydrophobicContact CE2-CG2 3.9Å; F273-I673 HydrophobicContact CG-CD1 4.24Å; F273-I673 HydrophobicContact CG-CG2 3.78Å; F273-I673 HydrophobicContact CZ-CG2 3.56Å; C669-I673 WeakPolarHBondContact O-CG1 3.32Å; C669-I673 PolarHBondContact O-N 3.02Å; I670-I673 WeakPolarHBondContact O-CB 3.33Å; I670-I673 PolarHBondContact O-N 3.19Å; I670-I673 VanDerWaalsContact O-N 3.15Å; S671-I673 VanDerWaalsContact C-N 3.34Å; S671-I673 PolarHBondContact O-N 3.17Å; I673-L675 VanDerWaalsContact C-N 3.32Å; I673-L675 PolarHBondContact O-N 3.17Å; I673-I676 PolarHBondContact O-N 3.12Å; I673-M677 HydrophobicContact CG2-SD 4.15Å; I673-M677 VanDerWaalsContact O-CG 3.29Å; I673-M677 WeakPolarHBondContact O-CG 3.46Å; I673-M677 PolarHBondContact O-N 2.92Å; I673-F741 HydrophobicContact CB-CE1 4.31Å; I673-F741 HydrophobicContact CB-CZ 4.17Å; I673-F741 HydrophobicContact CD1-CZ 4.37Å; I673-F741 HydrophobicContact CG2-CE1 3.83Å; I673-F741 HydrophobicContact CG2-CZ 3.92Å
674T88.6Confident86.8Confident1 Ų19.7 Ų9.71%0.0065%0.054CC..Hα-helixtrans-71.3-26.6-179.461.90000113.6I670 S671 M672 S678 F741 T744I670-T674 PolarHBondContact O-N 3.15Å; S671-T674 WeakPolarHBondContact CA-OG1 3.17Å; S671-T674 CarbonylContact O-C 3.38Å; S671-T674 PolarHBondContact O-N 3.41Å; S671-T674 VanDerWaalsContact O-N 3.08Å; S671-T674 PolarHBondContact O-OG1 3.04Å; M672-T674 VanDerWaalsContact C-N 3.29Å; M672-T674 PolarHBondContact O-N 3.06Å; T674-S678 PolarHBondContact O-N 3.4Å; T674-F741 HydrophobicContact CG2-CD1 3.16Å; T674-F741 HydrophobicContact CG2-CE1 3.38Å; T674-F741 HydrophobicContact CG2-CG 3.96Å; T674-F741 HydrophobicContact CG2-CZ 4.34Å; T674-T744 WeakPolarHBondContact CB-OG1 3.29Å; T674-T744 WeakPolarHBondContact CG2-OG1 3.4Å; T674-T744 WeakPolarHBondContact OG1-CB 3.5Å; T674-T744 PolarHBondContact OG1-OG1 3.34Å; T674-T744 VanDerWaalsContact OG1-OG1 3.09Å
675L89.5Confident86.9Confident6 Ų64.6 Ų4.63%0.0313%0.026CC..Hα-helixtrans-73.4-40.3172.3-72.5171000111.5V617 V656 V657 M660 M667 S671 M672 I673 M677 S678 I679V617-L675 HydrophobicContact CG1-CD1 3.99Å; V656-L675 HydrophobicContact CB-CD2 4.33Å; V656-L675 HydrophobicContact CG1-CD2 3.72Å; V657-L675 HydrophobicContact CG2-CD1 4Å; V657-L675 HydrophobicContact CG2-CD2 3.6Å; V657-L675 HydrophobicContact CG2-CG 4.48Å; M660-L675 HydrophobicContact SD-CD2 4.26Å; M667-L675 HydrophobicContact CE-CD1 4.04Å; S671-L675 WeakPolarHBondContact O-CG 3.23Å; S671-L675 PolarHBondContact O-N 3Å; M672-L675 PolarHBondContact O-N 3.46Å; I673-L675 VanDerWaalsContact C-N 3.32Å; I673-L675 PolarHBondContact O-N 3.17Å; L675-M677 VanDerWaalsContact C-N 3.26Å; L675-M677 PolarHBondContact O-N 3.24Å; L675-S678 WeakPolarHBondContact O-CA 3.5Å; L675-S678 WeakPolarHBondContact O-CB 3.23Å; L675-S678 PolarHBondContact O-N 2.94Å; L675-I679 PolarHBondContact O-N 3.43Å; L675-I679 VanDerWaalsContact O-N 3.15Å
676I89Confident86.9Confident1 Ų14.1 Ų4.11%0.0052%0.024CC..Hα-helixtrans-56.3-46.9171-66.5161.1000109.7F259 V270 E620 M672 I673 S678 I679 G680F259-I676 HydrophobicContact CD1-CG2 3.65Å; F259-I676 HydrophobicContact CE1-CG2 3.85Å; V270-I676 HydrophobicContact CG1-CD1 3.62Å; E620-I676 HydrophobicContact CG-CD1 4.42Å; E620-I676 HydrophobicContact CG-CG1 3.56Å; M672-I676 HydrophobicContact CG-CD1 4.38Å; M672-I676 WeakPolarHBondContact O-CG1 3.45Å; M672-I676 PolarHBondContact O-N 2.98Å; I673-I676 PolarHBondContact O-N 3.12Å; I676-S678 VanDerWaalsContact C-N 3.32Å; I676-S678 PolarHBondContact O-N 2.57Å; I676-I679 PolarHBondContact O-N 3.37Å; I676-G680 PolarHBondContact O-N 3.11Å
677M86.2Confident87Confident4 Ų43.2 Ų3.22%0.022%0.018CC..Hα-helixtrans-63.2-35.8175.5-66165.543.600113.1L208 F259 F273 I673 L675 I679 G680 F681 F741 V745L208-M677 HydrophobicContact CB-CE 4.37Å; L208-M677 HydrophobicContact CD1-CE 3.27Å; L208-M677 HydrophobicContact CD1-SD 3.52Å; L208-M677 VanDerWaalsContact CD1-SD 3.52Å; L208-M677 HydrophobicContact CD2-CE 3.54Å; L208-M677 HydrophobicContact CG-CE 3.88Å; F259-M677 HydrophobicContact CE1-CG 3.69Å; F259-M677 HydrophobicContact CZ-CB 4.34Å; F259-M677 HydrophobicContact CZ-CG 3.73Å; F273-M677 HydrophobicContact CE1-CG 4.33Å; F273-M677 HydrophobicContact CE1-SD 4.24Å; F273-M677 HydrophobicContact CZ-SD 3.99Å; I673-M677 HydrophobicContact CG2-SD 4.15Å; I673-M677 VanDerWaalsContact O-CG 3.29Å; I673-M677 WeakPolarHBondContact O-CG 3.46Å; I673-M677 PolarHBondContact O-N 2.92Å; L675-M677 VanDerWaalsContact C-N 3.26Å; L675-M677 PolarHBondContact O-N 3.24Å; M677-I679 VanDerWaalsContact C-N 3.28Å; M677-I679 PolarHBondContact O-N 2.95Å; M677-G680 PolarHBondContact O-N 3.16Å; M677-F681 HydrophobicContact CB-CD2 4.38Å; M677-F681 HydrophobicContact CB-CE2 4.2Å; M677-F681 HydrophobicContact CE-CD2 4.45Å; M677-F681 HydrophobicContact CE-CE2 3.69Å; M677-F681 HydrophobicContact CE-CZ 4.42Å; M677-F681 WeakPolarHBondContact O-CB 3.15Å; M677-F681 WeakPolarHBondContact O-CG 3.21Å; M677-F681 PolarHBondContact O-N 3.11Å; M677-F741 HydrophobicContact SD-CE1 4.35Å; M677-V745 HydrophobicContact CE-CG2 3.59Å
678S85Confident87.1Confident0 Ų03.5 Ų3.50%02%0.019CC..Hα-helixtrans-55.9-45.3175.3178.40000110.9D653 T674 L675 I676 S682D653-S678 WeakPolarHBondContact OD1-CB 3.2Å; D653-S678 PolarHBondContact OD1-OG 2.99Å; T674-S678 PolarHBondContact O-N 3.4Å; L675-S678 WeakPolarHBondContact O-CA 3.5Å; L675-S678 WeakPolarHBondContact O-CB 3.23Å; L675-S678 PolarHBondContact O-N 2.94Å; I676-S678 VanDerWaalsContact C-N 3.32Å; I676-S678 PolarHBondContact O-N 2.57Å; S678-S682 WeakPolarHBondContact O-CA 3.1Å; S678-S682 WeakPolarHBondContact O-CB 3.33Å; S678-S682 PolarHBondContact O-N 3.03Å; S678-S682 PolarHBondContact O-OG 2.86Å
679I85Confident87.3Confident1 Ų13.6 Ų3.61%0.0052%0.02CC..Hα-helixtrans-59.3-52.6178.6-62167.9000109.8E620 M628 D653 L675 I676 M677 S682 V683E620-I679 HydrophobicContact CG-CD1 4.3Å; M628-I679 HydrophobicContact CG-CG2 4.27Å; D653-I679 WeakPolarHBondContact OD2-CG1 3.32Å; L675-I679 PolarHBondContact O-N 3.43Å; L675-I679 VanDerWaalsContact O-N 3.15Å; I676-I679 PolarHBondContact O-N 3.37Å; M677-I679 VanDerWaalsContact C-N 3.28Å; M677-I679 PolarHBondContact O-N 2.95Å; I679-S682 PolarHBondContact O-OG 3.3Å; I679-V683 WeakPolarHBondContact O-CG2 3.21Å; I679-V683 PolarHBondContact O-N 3.49Å
680G82.5Confident87.4Confident0 Ų02.8 Ų2.80%01%0.014CC..Hα-helixtrans-57.8-55.7179.200000113.1I676 M677 V683I676-G680 PolarHBondContact O-N 3.11Å; M677-G680 PolarHBondContact O-N 3.16Å; G680-V683 WeakPolarHBondContact O-CB 3.33Å
681F82.5Confident87.4Confident5 Ų54 Ų42%0.0222%0.019CC..Hα-helixtrans-74.3-31.4-173.1-61.5-17.9000114.2V212 M281 M677 V683 D684 V748V212-F681 HydrophobicContact CB-CE1 4.01Å; V212-F681 HydrophobicContact CB-CZ 4.06Å; V212-F681 HydrophobicContact CG1-CD1 3.95Å; V212-F681 HydrophobicContact CG1-CE1 3.7Å; V212-F681 HydrophobicContact CG1-CZ 4.27Å; V212-F681 HydrophobicContact CG2-CD1 4.04Å; V212-F681 HydrophobicContact CG2-CD2 3.97Å; V212-F681 HydrophobicContact CG2-CE1 3.59Å; V212-F681 HydrophobicContact CG2-CE2 3.47Å; V212-F681 VanDerWaalsContact CG2-CE2 3.47Å; V212-F681 HydrophobicContact CG2-CG 4.24Å; V212-F681 HydrophobicContact CG2-CZ 3.28Å; M281-F681 HydrophobicContact CE-CE1 4.09Å; M677-F681 HydrophobicContact CB-CD2 4.38Å; M677-F681 HydrophobicContact CB-CE2 4.2Å; M677-F681 HydrophobicContact CE-CD2 4.45Å; M677-F681 HydrophobicContact CE-CE2 3.69Å; M677-F681 HydrophobicContact CE-CZ 4.42Å; M677-F681 WeakPolarHBondContact O-CB 3.15Å; M677-F681 WeakPolarHBondContact O-CG 3.21Å; M677-F681 PolarHBondContact O-N 3.11Å; F681-V683 VanDerWaalsContact C-N 3.29Å; F681-V683 PolarHBondContact O-N 3.36Å; F681-D684 PolarHBondContact O-N 3.37Å; F681-V748 HydrophobicContact CB-CG1 4.46Å
682S82.9Confident87.4Confident0 Ų04.1 Ų4.10%02%0.02CC..Hα-helixtrans-69.7-30.7179.968.10000112.5S678 I679 D684S678-S682 WeakPolarHBondContact O-CA 3.1Å; S678-S682 WeakPolarHBondContact O-CB 3.33Å; S678-S682 PolarHBondContact O-N 3.03Å; S678-S682 PolarHBondContact O-OG 2.86Å; I679-S682 PolarHBondContact O-OG 3.3Å; S682-D684 VanDerWaalsContact C-N 3.33Å
683V83Confident87.3Confident1 Ų14.1 Ų4.11%0.0062%0.02CC..Hα-helixtrans-60.6-45.7174.4174.40000110T254 M628 I649 I679 G680 F681 F685 S686 A687T254-V683 HydrophobicContact CG2-CB 3.84Å; T254-V683 HydrophobicContact CG2-CG1 3.91Å; T254-V683 HydrophobicContact CG2-CG2 3.93Å; M628-V683 HydrophobicContact CE-CB 4.04Å; M628-V683 HydrophobicContact CE-CG1 3.26Å; M628-V683 HydrophobicContact CE-CG2 3.59Å; M628-V683 HydrophobicContact CG-CG2 3.82Å; M628-V683 HydrophobicContact SD-CB 4.46Å; M628-V683 HydrophobicContact SD-CG1 4.24Å; M628-V683 HydrophobicContact SD-CG2 3.63Å; I649-V683 HydrophobicContact CD1-CB 4.21Å; I649-V683 HydrophobicContact CD1-CG1 4.42Å; I649-V683 HydrophobicContact CD1-CG2 3.37Å; I649-V683 HydrophobicContact CG1-CG2 3.77Å; I679-V683 WeakPolarHBondContact O-CG2 3.21Å; I679-V683 PolarHBondContact O-N 3.49Å; G680-V683 WeakPolarHBondContact O-CB 3.33Å; F681-V683 VanDerWaalsContact C-N 3.29Å; F681-V683 PolarHBondContact O-N 3.36Å; V683-F685 VanDerWaalsContact C-N 3.33Å; V683-F685 PolarHBondContact O-N 3.24Å; V683-S686 PolarHBondContact O-N 3.5Å; V683-A687 HydrophobicContact CG1-CB 3.87Å; V683-A687 WeakPolarHBondContact O-CB 3.19Å; V683-A687 PolarHBondContact O-N 3.17Å
684D86.4Confident87.1Confident2 Ų24.8 Ų4.81%0.0113%0.025CC..Hα-helixtrans-52.5-51.9-171.6-68.2-28.5000111.5T251 F681 S682 S686 H688T251-D684 VanDerWaalsContact CA-OD1 3.29Å; T251-D684 WeakPolarHBondContact CA-OD1 3.46Å; T251-D684 WeakPolarHBondContact CB-OD1 3.26Å; T251-D684 VanDerWaalsContact CG2-CG 3.48Å; T251-D684 WeakPolarHBondContact CG2-OD1 3.32Å; T251-D684 WeakPolarHBondContact CG2-OD2 3.35Å; T251-D684 PolarHBondContact OG1-OD1 3.35Å; F681-D684 PolarHBondContact O-N 3.37Å; S682-D684 VanDerWaalsContact C-N 3.33Å; D684-S686 VanDerWaalsContact C-N 3.31Å; D684-S686 PolarHBondContact O-N 2.9Å; D684-H688 VanDerWaalsContact O-CB 3.29Å; D684-H688 WeakPolarHBondContact O-CB 3.38Å; D684-H688 PolarHBondContact O-CD2 3.44Å; D684-H688 PolarHBondContact O-N 2.91Å
685F89.5Confident86.9Confident11 Ų117.5 Ų7.55%0.0484%0.041CC..Hα-helixtrans-61.9-38.9-178.4-50.7-45.2000112.8V683 I689 I716 I749 V753V683-F685 VanDerWaalsContact C-N 3.33Å; V683-F685 PolarHBondContact O-N 3.24Å; F685-I689 WeakPolarHBondContact O-CG1 3.34Å; F685-I716 HydrophobicContact CB-CG2 4.29Å; F685-I716 HydrophobicContact CD1-CB 4.5Å; F685-I716 HydrophobicContact CD1-CG1 4.46Å; F685-I716 HydrophobicContact CD1-CG2 3.63Å; F685-I716 HydrophobicContact CE1-CG2 4.3Å; F685-I716 HydrophobicContact CG-CG2 4.18Å; F685-I749 HydrophobicContact CE2-CD1 3.99Å; F685-I749 HydrophobicContact CZ-CD1 3.77Å; F685-V753 HydrophobicContact CD2-CG2 4.29Å; F685-V753 HydrophobicContact CE1-CG2 4.35Å; F685-V753 HydrophobicContact CE2-CG2 4.11Å; F685-V753 HydrophobicContact CG-CG2 4.47Å; F685-V753 HydrophobicContact CZ-CG2 4.14Å
686S90.3Very high86.5Confident0 Ų07.5 Ų7.50%04%0.042CC..Hα-helixtrans-79.4-43.9-177.6-640000112.1V683 D684 I689 A690 L760V683-S686 PolarHBondContact O-N 3.5Å; D684-S686 VanDerWaalsContact C-N 3.31Å; D684-S686 PolarHBondContact O-N 2.9Å; S686-I689 PolarHBondContact O-N 2.92Å; S686-A690 VanDerWaalsContact O-CB 3.32Å; S686-A690 WeakPolarHBondContact O-CB 3.46Å; S686-A690 PolarHBondContact O-N 2.87Å; S686-L760 WeakPolarHBondContact O-CD2 3.29Å
687A88.8Confident86Confident3 Ų314 Ų143%0.0257%0.072CC..Hα-helixtrans-66.8-40.3-178.400000111.6I250 V683 I689 A690 Y691I250-A687 HydrophobicContact CG2-CB 4.2Å; V683-A687 HydrophobicContact CG1-CB 3.87Å; V683-A687 WeakPolarHBondContact O-CB 3.19Å; V683-A687 PolarHBondContact O-N 3.17Å; A687-I689 PolarHBondContact O-N 3.19Å; A687-A690 PolarHBondContact O-N 3.49Å; A687-Y691 VanDerWaalsContact O-CB 3.23Å; A687-Y691 WeakPolarHBondContact O-CB 3.32Å; A687-Y691 PolarHBondContact O-N 2.69Å
688H89.5Confident85.6Confident12 Ų1214.7 Ų14.76%0.0568%0.075CC..Hα-helixtrans-58.4-48.9175.2-76.6-40.3000112.4S247 T251 D684 Y691 A692 L712 I716S247-H688 WeakPolarHBondContact CB-ND1 3.28Å; S247-H688 PolarHBondContact O-CE1 3.31Å; T251-H688 PolarHBondContact OG1-CE1 3.04Å; T251-H688 PolarHBondContact OG1-NE2 3.35Å; D684-H688 VanDerWaalsContact O-CB 3.29Å; D684-H688 WeakPolarHBondContact O-CB 3.38Å; D684-H688 PolarHBondContact O-CD2 3.44Å; D684-H688 PolarHBondContact O-N 2.91Å; H688-Y691 PolarHBondContact O-N 3.41Å; H688-A692 PolarHBondContact O-N 3.26Å; H688-L712 HydrophobicContact CB-CD1 4.14Å; H688-L712 WeakPolarHBondContact O-CD1 3.49Å; H688-I716 HydrophobicContact CB-CD1 4.4Å
689I91Very high85.2Confident2 Ų221.9 Ų21.91%0.0111%0.109CC..Hα-helixtrans-67.8-41.9179.6-65.8-63.9000111.3F685 S686 A687 Y693 L709 L712 I716 L760 P761F685-I689 WeakPolarHBondContact O-CG1 3.34Å; S686-I689 PolarHBondContact O-N 2.92Å; A687-I689 PolarHBondContact O-N 3.19Å; I689-Y693 VanDerWaalsContact O-CB 3.29Å; I689-Y693 WeakPolarHBondContact O-CB 3.4Å; I689-Y693 PolarHBondContact O-N 2.77Å; I689-L709 HydrophobicContact CD1-CD2 4.13Å; I689-L712 HydrophobicContact CD1-CB 3.84Å; I689-I716 HydrophobicContact CD1-CD1 3.7Å; I689-I716 HydrophobicContact CG1-CD1 3.61Å; I689-L760 HydrophobicContact CB-CD2 4.42Å; I689-L760 HydrophobicContact CG2-CD2 4.43Å; I689-P761 HydrophobicContact CG2-CG 4.08Å
690A89.8Confident85.1Confident0 Ų026.4 Ų26.40%013%0.133CC..Hα-helixtrans-62.1-44.217600000111.9I636 V645 S686 A687 Y693 T694 L760I636-A690 HydrophobicContact CD1-CB 4.29Å; V645-A690 HydrophobicContact CG2-CB 3.44Å; V645-A690 VanDerWaalsContact CG2-CB 3.44Å; S686-A690 VanDerWaalsContact O-CB 3.32Å; S686-A690 WeakPolarHBondContact O-CB 3.46Å; S686-A690 PolarHBondContact O-N 2.87Å; A687-A690 PolarHBondContact O-N 3.49Å; A690-Y693 WeakPolarHBondContact O-CB 3.31Å; A690-Y693 PolarHBondContact O-N 3.05Å; A690-T694 WeakPolarHBondContact O-CG2 3.34Å; A690-T694 PolarHBondContact O-N 2.99Å; A690-T694 PolarHBondContact O-OG1 2.88Å; A690-L760 HydrophobicContact CB-CD2 4.39Å
691Y88.4Confident85.2Confident27 Ų2726.6 Ų26.611%0.10614%0.135CC..Hα-helixtrans-60.8-52.7177.4176.5-103.8000111.3V246 I250 A687 H688 Y693 T694 V695V246-Y691 HydrophobicContact CB-CE1 4.49Å; V246-Y691 HydrophobicContact CG1-CE1 4.37Å; V246-Y691 HydrophobicContact CG1-CE2 3.77Å; I250-Y691 HydrophobicContact CD1-CD2 4.33Å; I250-Y691 HydrophobicContact CD1-CG 4.46Å; A687-Y691 VanDerWaalsContact O-CB 3.23Å; A687-Y691 WeakPolarHBondContact O-CB 3.32Å; A687-Y691 PolarHBondContact O-N 2.69Å; H688-Y691 PolarHBondContact O-N 3.41Å; Y691-Y693 VanDerWaalsContact C-N 3.28Å; Y691-Y693 PolarHBondContact O-N 3.08Å; Y691-T694 PolarHBondContact O-N 2.74Å; Y691-T694 PolarHBondContact O-OG1 2.9Å; Y691-V695 HydrophobicContact CD1-CG2 4.25Å; Y691-V695 HydrophobicContact CD2-CG2 4.05Å; Y691-V695 HydrophobicContact CE1-CG2 3.82Å; Y691-V695 HydrophobicContact CE2-CG2 3.6Å; Y691-V695 HydrophobicContact CG-CG2 4.35Å; Y691-V695 VanDerWaalsContact CZ-CG2 3.47Å; Y691-V695 WeakPolarHBondContact O-CG2 3.43Å; Y691-V695 PolarHBondContact O-N 2.72Å
692A87Confident85.3Confident7 Ų728.6 Ų28.66%0.05815%0.148CC..Hα-helixtrans-61.4-35.3178.400000113.2H688 T694 S696 A708 L712H688-A692 PolarHBondContact O-N 3.26Å; A692-T694 VanDerWaalsContact C-N 3.33Å; A692-T694 PolarHBondContact O-N 3.37Å; A692-S696 PolarHBondContact O-N 2.75Å; A692-S696 VanDerWaalsContact O-N 3.09Å; A692-A708 HydrophobicContact CB-CB 3.9Å; A692-L712 HydrophobicContact CB-CD1 3.42Å; A692-L712 VanDerWaalsContact CB-CD1 3.42Å; A692-L712 HydrophobicContact CB-CG 4.37Å
693Y88.3Confident85.5Confident1 Ų129.9 Ų29.90%0.00415%0.154CC..Hα-helixtrans-62-40171.9176.7-95.2000111.9I689 A690 Y691 S696 A701 R704 I705 L764I689-Y693 VanDerWaalsContact O-CB 3.29Å; I689-Y693 WeakPolarHBondContact O-CB 3.4Å; I689-Y693 PolarHBondContact O-N 2.77Å; A690-Y693 WeakPolarHBondContact O-CB 3.31Å; A690-Y693 PolarHBondContact O-N 3.05Å; Y691-Y693 VanDerWaalsContact C-N 3.28Å; Y691-Y693 PolarHBondContact O-N 3.08Å; Y693-S696 PolarHBondContact O-OG 3.12Å; Y693-A701 HydrophobicContact CE2-CB 4.23Å; Y693-A701 WeakPolarHBondContact OH-CB 3.32Å; Y693-R704 HydrophobicContact CD2-CB 3.42Å; Y693-R704 VanDerWaalsContact CD2-CB 3.42Å; Y693-R704 HydrophobicContact CE2-CB 3.39Å; Y693-R704 HydrophobicContact CE2-CG 4.23Å; Y693-R704 HydrophobicContact CG-CB 4.33Å; Y693-I705 HydrophobicContact CD2-CG1 3.68Å; Y693-I705 HydrophobicContact CE2-CD1 4.21Å; Y693-I705 HydrophobicContact CE2-CG1 3.73Å; Y693-L764 HydrophobicContact CD1-CD1 4.22Å; Y693-L764 HydrophobicContact CG-CD1 4.24Å
694T85.6Confident85.8Confident17 Ų1731.2 Ų31.210%0.10416%0.159CC..Hα-helixtrans-76.7-31.2179.659.40000114.4I636 Q638 C641 A690 Y691 A692I636-T694 HydrophobicContact CG2-CG2 3.93Å; Q638-T694 HydrophobicContact CB-CG2 3.95Å; Q638-T694 HydrophobicContact CG-CG2 4.03Å; C641-T694 HydrophobicContact CB-CG2 4.01Å; C641-T694 VanDerWaalsContact SG-CG2 3.53Å; A690-T694 WeakPolarHBondContact O-CG2 3.34Å; A690-T694 PolarHBondContact O-N 2.99Å; A690-T694 PolarHBondContact O-OG1 2.88Å; Y691-T694 PolarHBondContact O-N 2.74Å; Y691-T694 PolarHBondContact O-OG1 2.9Å; A692-T694 VanDerWaalsContact C-N 3.33Å; A692-T694 PolarHBondContact O-N 3.37Å
695V84.4Confident86Confident57 Ų5731.2 Ų31.235%0.34516%0.159SC..Hα-helixtrans-77.6-26.5178.2172.30000111.8Y691 E697Y691-V695 HydrophobicContact CD1-CG2 4.25Å; Y691-V695 HydrophobicContact CD2-CG2 4.05Å; Y691-V695 HydrophobicContact CE1-CG2 3.82Å; Y691-V695 HydrophobicContact CE2-CG2 3.6Å; Y691-V695 HydrophobicContact CG-CG2 4.35Å; Y691-V695 VanDerWaalsContact CZ-CG2 3.47Å; Y691-V695 WeakPolarHBondContact O-CG2 3.43Å; Y691-V695 PolarHBondContact O-N 2.72Å; V695-E697 PolarHBondContact O-N 3.09Å
696S82.1Confident86.1Confident7 Ų734.3 Ų34.35%0.04917%0.171CC..  trans-57.7128.6176.467.70000112.1A692 Y693 D698 R704A692-S696 PolarHBondContact O-N 2.75Å; A692-S696 VanDerWaalsContact O-N 3.09Å; Y693-S696 PolarHBondContact O-OG 3.12Å; S696-D698 PolarHBondContact O-N 3.1Å; S696-R704 WeakPolarHBondContact OG-CA 3.43Å; S696-R704 WeakPolarHBondContact OG-CB 3.36Å; S696-R704 WeakPolarHBondContact OG-CG 3.34Å
697E77.5Confident86Confident138 Ų13835.7 Ų35.765%0.64518%0.177SC*.  trans-80.5-4.4-179.3-72.7172.9-156.800113.1K367 V695K367-E697 WeakPolarHBondContact CE-OE2 3Å; K367-E697 IonicContact NZ-OE1 2.86Å; K367-E697 PolarHBondContact NZ-OE1 3.08Å; K367-E697 IonicContact NZ-OE2 3.79Å; K367-E697 PolarHBondContact NZ-OE2 3.38Å; V695-E697 PolarHBondContact O-N 3.09Å
698D78.8Confident86.1Confident17 Ų1735.6 Ų35.69%0.09118%0.176CC..  trans-63.7149.3-175.5-56.4-45.6000111.9F366 S696 D703 R704F366-D698 HydrophobicContact CE2-CB 3.8Å; F366-D698 WeakPolarHBondContact CE2-OD1 3.25Å; F366-D698 WeakPolarHBondContact CE2-OD2 3.47Å; F366-D698 HydrophobicContact CZ-CB 4.37Å; F366-D698 WeakPolarHBondContact CZ-OD2 3.47Å; S696-D698 PolarHBondContact O-N 3.1Å; D698-D703 HydrophobicContact CB-CB 3.99Å; D698-R704 HydrophobicContact CB-CG 3.96Å; D698-R704 VanDerWaalsContact O-CZ 3.26Å; D698-R704 PolarHBondContact O-NE 3.09Å; D698-R704 PolarHBondContact O-NH2 3.4Å
699E76.7Confident86.2Confident152 Ų15235.1 Ų35.171%0.7117%0.174SC*.SBendtrans-82.9-38.7-176.7-64.9-166.3156.200113.3
700N82.8Confident86.1Confident95 Ų9535 Ų3551%0.50817%0.173SC..SBendtrans-88.3138.2-177.7-60.5-44.9000111.1V702 D703 R704N700-V702 PolarHBondContact O-N 2.92Å; N700-D703 HydrophobicContact CB-CB 4.07Å; N700-D703 WeakPolarHBondContact CB-OD2 3.31Å; N700-D703 PolarHBondContact ND2-OD2 3.29Å; N700-D703 WeakPolarHBondContact O-CB 3.28Å; N700-D703 PolarHBondContact O-N 3.38Å; N700-D703 VanDerWaalsContact O-N 3.08Å; N700-R704 WeakPolarHBondContact O-CG 3.44Å; N700-R704 PolarHBondContact O-N 3.37Å
701A83.4Confident85.8Confident4 Ų435.6 Ų35.63%0.03318%0.177CC..Hα-helixtrans-60.1-34.3175.600000113.8Y693 D703 R704 I705 N768Y693-A701 HydrophobicContact CE2-CB 4.23Å; Y693-A701 WeakPolarHBondContact OH-CB 3.32Å; A701-D703 PolarHBondContact O-N 3.36Å; A701-R704 PolarHBondContact O-N 2.81Å; A701-I705 WeakPolarHBondContact O-CB 3.45Å; A701-I705 WeakPolarHBondContact O-CD1 3.38Å; A701-I705 VanDerWaalsContact O-CG1 3.25Å; A701-I705 WeakPolarHBondContact O-CG1 3.39Å; A701-I705 PolarHBondContact O-N 3.17Å; A701-N768 HydrophobicContact CB-CB 4.07Å; A701-N768 WeakPolarHBondContact CB-ND2 3.33Å
702V86.4Confident85.9Confident48 Ų4835.1 Ų35.129%0.29118%0.176SC..Hα-helixtrans-57.6-42.8176.61720000110.5M389 N700 I705 R706M389-V702 HydrophobicContact CB-CG1 4.12Å; M389-V702 HydrophobicContact CB-CG2 4.08Å; M389-V702 HydrophobicContact CG-CB 4.31Å; M389-V702 HydrophobicContact CG-CG1 3.99Å; M389-V702 HydrophobicContact CG-CG2 4.08Å; M389-V702 HydrophobicContact SD-CG2 4.36Å; N700-V702 PolarHBondContact O-N 2.92Å; V702-I705 PolarHBondContact O-N 2.95Å; V702-R706 VanDerWaalsContact O-CG 3.32Å; V702-R706 WeakPolarHBondContact O-CG 3.25Å; V702-R706 PolarHBondContact O-N 3.37Å
703D86.8Confident86.2Confident26 Ų2634.8 Ų34.814%0.13917%0.174CC..Hα-helixtrans-73.4-43.8-176.8-78.7-23000111.5F366 D698 N700 A701 I705 R706 F707F366-D703 HydrophobicContact CD2-CB 4.49Å; F366-D703 HydrophobicContact CE1-CB 4.32Å; F366-D703 HydrophobicContact CE2-CB 3.35Å; F366-D703 HydrophobicContact CZ-CB 3.27Å; F366-D703 WeakPolarHBondContact CZ-O 3.47Å; D698-D703 HydrophobicContact CB-CB 3.99Å; N700-D703 HydrophobicContact CB-CB 4.07Å; N700-D703 WeakPolarHBondContact CB-OD2 3.31Å; N700-D703 PolarHBondContact ND2-OD2 3.29Å; N700-D703 WeakPolarHBondContact O-CB 3.28Å; N700-D703 PolarHBondContact O-N 3.38Å; N700-D703 VanDerWaalsContact O-N 3.08Å; A701-D703 PolarHBondContact O-N 3.36Å; D703-I705 PolarHBondContact O-N 2.73Å; D703-R706 WeakPolarHBondContact O-CB 3.48Å; D703-R706 PolarHBondContact O-N 2.96Å; D703-R706 IonicContact OD1-CZ 2.77Å; D703-R706 IonicContact OD1-NE 3.11Å; D703-R706 IonicContact OD1-NH1 3.37Å; D703-R706 PolarHBondContact OD1-NH1 3Å; D703-F707 PolarHBondContact O-N 2.91Å
704R88.9Confident86.4Confident29 Ų2937.9 Ų37.911%0.10919%0.186CC..Hα-helixtrans-55-40.3169.7-62.4-172.1176-159-15.6112.9Y693 S696 D698 N700 A701 F707 A708Y693-R704 HydrophobicContact CD2-CB 3.42Å; Y693-R704 VanDerWaalsContact CD2-CB 3.42Å; Y693-R704 HydrophobicContact CE2-CB 3.39Å; Y693-R704 HydrophobicContact CE2-CG 4.23Å; Y693-R704 HydrophobicContact CG-CB 4.33Å; S696-R704 WeakPolarHBondContact OG-CA 3.43Å; S696-R704 WeakPolarHBondContact OG-CB 3.36Å; S696-R704 WeakPolarHBondContact OG-CG 3.34Å; D698-R704 HydrophobicContact CB-CG 3.96Å; D698-R704 VanDerWaalsContact O-CZ 3.26Å; D698-R704 PolarHBondContact O-NE 3.09Å; D698-R704 PolarHBondContact O-NH2 3.4Å; N700-R704 WeakPolarHBondContact O-CG 3.44Å; N700-R704 PolarHBondContact O-N 3.37Å; A701-R704 PolarHBondContact O-N 2.81Å; R704-F707 WeakPolarHBondContact O-CB 3.41Å; R704-F707 PolarHBondContact O-N 3.12Å; R704-A708 WeakPolarHBondContact O-CB 3.06Å; R704-A708 PolarHBondContact O-N 3.27Å
705I91.1Very high86.6Confident3 Ų337.4 Ų37.42%0.01518%0.183CC..Hα-helixtrans-71.6-36.1177.9-69.4163.7000111.4A385 M389 Y693 A701 V702 D703 F707 A708 L709 P761 S765A385-I705 HydrophobicContact CB-CG2 4.47Å; M389-I705 HydrophobicContact CE-CB 4.44Å; M389-I705 HydrophobicContact CE-CD1 3.6Å; M389-I705 HydrophobicContact CE-CG2 3.84Å; M389-I705 HydrophobicContact SD-CD1 3.58Å; M389-I705 VanDerWaalsContact SD-CD1 3.58Å; Y693-I705 HydrophobicContact CD2-CG1 3.68Å; Y693-I705 HydrophobicContact CE2-CD1 4.21Å; Y693-I705 HydrophobicContact CE2-CG1 3.73Å; A701-I705 WeakPolarHBondContact O-CB 3.45Å; A701-I705 WeakPolarHBondContact O-CD1 3.38Å; A701-I705 VanDerWaalsContact O-CG1 3.25Å; A701-I705 WeakPolarHBondContact O-CG1 3.39Å; A701-I705 PolarHBondContact O-N 3.17Å; V702-I705 PolarHBondContact O-N 2.95Å; D703-I705 PolarHBondContact O-N 2.73Å; I705-F707 VanDerWaalsContact C-N 3.29Å; I705-F707 PolarHBondContact O-N 3.5Å; I705-A708 PolarHBondContact O-N 2.76Å; I705-L709 HydrophobicContact CG2-CD1 3.57Å; I705-L709 HydrophobicContact CG2-CG 4.04Å; I705-L709 WeakPolarHBondContact O-CB 3.29Å; I705-L709 PolarHBondContact O-N 3.04Å; I705-P761 HydrophobicContact CD1-CB 4.45Å; I705-P761 WeakPolarHBondContact CD1-O 3.34Å; I705-P761 HydrophobicContact CG2-CB 3.91Å; I705-S765 VanDerWaalsContact CD1-CB 3.45Å
706R90.8Very high87Confident76 Ų7635.1 Ų35.129%0.28717%0.168SC..Hα-helixtrans-59.7-42.7171.7-71.9167174.7-178.8-14.3111F366 R381 A385 V702 D703 G710F366-R706 HydrophobicContact CE1-CB 4.47Å; R381-R706 HydrophobicContact CG-CB 4.28Å; A385-R706 HydrophobicContact CB-CB 4.39Å; A385-R706 HydrophobicContact CB-CG 3.84Å; V702-R706 VanDerWaalsContact O-CG 3.32Å; V702-R706 WeakPolarHBondContact O-CG 3.25Å; V702-R706 PolarHBondContact O-N 3.37Å; D703-R706 WeakPolarHBondContact O-CB 3.48Å; D703-R706 PolarHBondContact O-N 2.96Å; D703-R706 IonicContact OD1-CZ 2.77Å; D703-R706 IonicContact OD1-NE 3.11Å; D703-R706 IonicContact OD1-NH1 3.37Å; D703-R706 PolarHBondContact OD1-NH1 3Å; R706-G710 WeakPolarHBondContact O-CA 3.41Å; R706-G710 PolarHBondContact O-N 3.25Å
707F87.8Confident87.6Confident29 Ų2936.8 Ų36.813%0.12718%0.176CC..Hα-helixtrans-63.2-50.9174.9178-92.6000111.9A368 Q371 D703 R704 I705 G710 S711A368-F707 HydrophobicContact CB-CB 4.11Å; A368-F707 HydrophobicContact CB-CD2 4.35Å; Q371-F707 HydrophobicContact CG-CE2 4.47Å; D703-F707 PolarHBondContact O-N 2.91Å; R704-F707 WeakPolarHBondContact O-CB 3.41Å; R704-F707 PolarHBondContact O-N 3.12Å; I705-F707 VanDerWaalsContact C-N 3.29Å; I705-F707 PolarHBondContact O-N 3.5Å; F707-G710 PolarHBondContact O-N 2.85Å; F707-S711 WeakPolarHBondContact O-CB 3.21Å; F707-S711 PolarHBondContact O-N 3.08Å; F707-S711 VanDerWaalsContact O-N 3.07Å; F707-S711 PolarHBondContact O-OG 3.43Å
708A90.6Very high88.3Confident1 Ų130.6 Ų30.61%0.00815%0.147CC..Hα-helixtrans-62.8-49.6-178.400000112.6A692 R704 I705 S711 L712A692-A708 HydrophobicContact CB-CB 3.9Å; R704-A708 WeakPolarHBondContact O-CB 3.06Å; R704-A708 PolarHBondContact O-N 3.27Å; I705-A708 PolarHBondContact O-N 2.76Å; A708-S711 PolarHBondContact O-N 2.75Å; A708-S711 PolarHBondContact O-OG 3Å; A708-L712 WeakPolarHBondContact O-CB 3.16Å; A708-L712 PolarHBondContact O-N 2.99Å
709L92.5Very high88.9Confident1 Ų129.9 Ų29.91%0.00514%0.144CC..Hα-helixtrans-70.2-35.8178.4-70.2176000112.2F384 A385 L388 I689 I705 S711 A713 I757 P761F384-L709 HydrophobicContact CD1-CD1 4.11Å; F384-L709 HydrophobicContact CE1-CD1 4.18Å; A385-L709 HydrophobicContact CB-CB 4.39Å; A385-L709 HydrophobicContact CB-CD1 3.89Å; L388-L709 HydrophobicContact CD2-CD1 4.19Å; I689-L709 HydrophobicContact CD1-CD2 4.13Å; I705-L709 HydrophobicContact CG2-CD1 3.57Å; I705-L709 HydrophobicContact CG2-CG 4.04Å; I705-L709 WeakPolarHBondContact O-CB 3.29Å; I705-L709 PolarHBondContact O-N 3.04Å; L709-S711 VanDerWaalsContact C-N 3.3Å; L709-S711 PolarHBondContact O-N 3.33Å; L709-A713 HydrophobicContact CB-CB 4.41Å; L709-A713 HydrophobicContact CD2-CB 4.12Å; L709-A713 WeakPolarHBondContact O-CB 3.29Å; L709-A713 PolarHBondContact O-N 3.47Å; L709-A713 VanDerWaalsContact O-N 3.14Å; L709-I757 HydrophobicContact CD2-CG2 4.17Å; L709-P761 HydrophobicContact CD1-CB 4.4Å; L709-P761 HydrophobicContact CD1-CG 4.42Å; L709-P761 HydrophobicContact CD2-CG 4.13Å
710G88Confident89.7Confident0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-62.1-37.3177.200000112.9S377 R706 F707S377-G710 WeakPolarHBondContact CA-O 3.46Å; S377-G710 WeakPolarHBondContact CB-O 3.25Å; S377-G710 PolarHBondContact OG-O 3.05Å; R706-G710 WeakPolarHBondContact O-CA 3.41Å; R706-G710 PolarHBondContact O-N 3.25Å; F707-G710 PolarHBondContact O-N 2.85Å
711S84.8Confident90.3Very high13 Ų1322.5 Ų22.59%0.09111%0.11CC..Hα-helixtrans-87.5-37.1-177.251.70000114S222 F707 A708 L709S222-S711 PolarHBondContact OG-O 3.32Å; F707-S711 WeakPolarHBondContact O-CB 3.21Å; F707-S711 PolarHBondContact O-N 3.08Å; F707-S711 VanDerWaalsContact O-N 3.07Å; F707-S711 PolarHBondContact O-OG 3.43Å; A708-S711 PolarHBondContact O-N 2.75Å; A708-S711 PolarHBondContact O-OG 3Å; L709-S711 VanDerWaalsContact C-N 3.3Å; L709-S711 PolarHBondContact O-N 3.33Å
712L90.5Very high90.8Very high16 Ų1622.3 Ų22.38%0.08411%0.108CC..Hα-helixtrans-117.6-18.7-165.6-62.9179.4000115.8L219 H688 I689 A692 A708 W714 P715 I716L219-L712 HydrophobicContact CD1-CD2 3.35Å; H688-L712 HydrophobicContact CB-CD1 4.14Å; H688-L712 WeakPolarHBondContact O-CD1 3.49Å; I689-L712 HydrophobicContact CD1-CB 3.84Å; A692-L712 HydrophobicContact CB-CD1 3.42Å; A692-L712 VanDerWaalsContact CB-CD1 3.42Å; A692-L712 HydrophobicContact CB-CG 4.37Å; A708-L712 WeakPolarHBondContact O-CB 3.16Å; A708-L712 PolarHBondContact O-N 2.99Å; L712-W714 VanDerWaalsContact C-N 3.28Å; L712-W714 PolarHBondContact O-N 2.86Å; L712-P715 WeakPolarHBondContact O-CD 3.16Å; L712-I716 HydrophobicContact CB-CD1 4.28Å; L712-I716 WeakPolarHBondContact O-CB 3.49Å; L712-I716 WeakPolarHBondContact O-CD1 3.29Å; L712-I716 VanDerWaalsContact O-CG1 3.25Å; L712-I716 WeakPolarHBondContact O-CG1 3.47Å; L712-I716 PolarHBondContact O-N 2.64Å
713A92.5Very high91.1Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-62.3-37-177.700000112.4F380 L709 I717 I757F380-A713 HydrophobicContact CB-CB 4.28Å; F380-A713 HydrophobicContact CD1-CB 3.69Å; F380-A713 HydrophobicContact CD2-CB 4.1Å; F380-A713 HydrophobicContact CE1-CB 4.03Å; F380-A713 HydrophobicContact CE2-CB 4.41Å; F380-A713 HydrophobicContact CG-CB 3.75Å; F380-A713 HydrophobicContact CZ-CB 4.39Å; L709-A713 HydrophobicContact CB-CB 4.41Å; L709-A713 HydrophobicContact CD2-CB 4.12Å; L709-A713 WeakPolarHBondContact O-CB 3.29Å; L709-A713 PolarHBondContact O-N 3.47Å; L709-A713 VanDerWaalsContact O-N 3.14Å; A713-I717 WeakPolarHBondContact O-CG1 3.48Å; A713-I717 PolarHBondContact O-N 2.86Å; A713-I717 VanDerWaalsContact O-N 3.08Å; A713-I757 HydrophobicContact CB-CD1 4.22Å; A713-I757 HydrophobicContact CB-CG1 4.45Å
714W91.5Very high91.4Very high67 Ų6720.7 Ų20.725%0.25410%0.099SC..Hα-helixtrans-68.8-50.7178.9178.9-113000113V376 L712 I716 I717 Q718V376-W714 HydrophobicContact CB-CD2 3.96Å; V376-W714 HydrophobicContact CB-CE3 4.08Å; V376-W714 HydrophobicContact CB-CG 4.23Å; V376-W714 HydrophobicContact CG1-CB 4.28Å; V376-W714 HydrophobicContact CG1-CD2 3.7Å; V376-W714 HydrophobicContact CG1-CE3 3.35Å; V376-W714 HydrophobicContact CG1-CG 4.13Å; V376-W714 HydrophobicContact CG1-CZ3 3.89Å; V376-W714 HydrophobicContact CG2-CD2 4.28Å; V376-W714 HydrophobicContact CG2-CE3 4.31Å; V376-W714 HydrophobicContact CG2-CH2 4.34Å; V376-W714 HydrophobicContact CG2-CZ2 4.34Å; V376-W714 HydrophobicContact CG2-CZ3 4.33Å; L712-W714 VanDerWaalsContact C-N 3.28Å; L712-W714 PolarHBondContact O-N 2.86Å; W714-I716 VanDerWaalsContact C-N 3.28Å; W714-I716 PolarHBondContact O-N 2.89Å; W714-I717 HydrophobicContact CZ3-CG2 4.43Å; W714-I717 PolarHBondContact O-N 3.05Å; W714-Q718 HydrophobicContact CD2-CG 4.07Å; W714-Q718 VanDerWaalsContact CE2-CD 3.46Å; W714-Q718 VanDerWaalsContact CE2-NE2 3.33Å; W714-Q718 HydrophobicContact CH2-CG 4.41Å; W714-Q718 HydrophobicContact CZ2-CG 3.92Å; W714-Q718 WeakPolarHBondContact O-CG 3.44Å; W714-Q718 PolarHBondContact O-N 3.21Å
715P91.6Very high91.7Very high7 Ų721.5 Ų21.55%0.04511%0.105CC..Hα-helixtrans-54-41.3171.3-29.835.4000114S222 L712 I717 Q718 G719S222-P715 VanDerWaalsContact CB-CG 3.41Å; S222-P715 WeakPolarHBondContact OG-CG 3.47Å; L712-P715 WeakPolarHBondContact O-CD 3.16Å; P715-I717 PolarHBondContact O-N 3.05Å; P715-Q718 PolarHBondContact O-N 3.13Å; P715-G719 PolarHBondContact O-N 2.91Å
716I92.7Very high91.7Very high9 Ų921.3 Ų21.35%0.04611%0.105CC..Hα-helixtrans-61.5-44.6177.9-72167.5000111F685 H688 I689 L712 W714 G719 G720 V753 I757F685-I716 HydrophobicContact CB-CG2 4.29Å; F685-I716 HydrophobicContact CD1-CB 4.5Å; F685-I716 HydrophobicContact CD1-CG1 4.46Å; F685-I716 HydrophobicContact CD1-CG2 3.63Å; F685-I716 HydrophobicContact CE1-CG2 4.3Å; F685-I716 HydrophobicContact CG-CG2 4.18Å; H688-I716 HydrophobicContact CB-CD1 4.4Å; I689-I716 HydrophobicContact CD1-CD1 3.7Å; I689-I716 HydrophobicContact CG1-CD1 3.61Å; L712-I716 HydrophobicContact CB-CD1 4.28Å; L712-I716 WeakPolarHBondContact O-CB 3.49Å; L712-I716 WeakPolarHBondContact O-CD1 3.29Å; L712-I716 VanDerWaalsContact O-CG1 3.25Å; L712-I716 WeakPolarHBondContact O-CG1 3.47Å; L712-I716 PolarHBondContact O-N 2.64Å; W714-I716 VanDerWaalsContact C-N 3.28Å; W714-I716 PolarHBondContact O-N 2.89Å; I716-G719 PolarHBondContact O-N 3.27Å; I716-G720 PolarHBondContact O-N 3.44Å; I716-V753 HydrophobicContact CG2-CG1 4.33Å; I716-V753 HydrophobicContact CG2-CG2 4.24Å; I716-I757 HydrophobicContact CB-CD1 4.41Å; I716-I757 HydrophobicContact CG2-CD1 3.95Å; I716-I757 HydrophobicContact CG2-CG1 4.24Å
717I93.5Very high91.7Very high41 Ų4117.8 Ų17.821%0.219%0.091CC..Hα-helixtrans-65.8-41.6176.5-70167.5000111F380 A713 W714 P715 G720 L721 V753 I757F380-I717 HydrophobicContact CE1-CD1 4.27Å; F380-I717 HydrophobicContact CE2-CD1 3.94Å; F380-I717 HydrophobicContact CZ-CD1 3.39Å; A713-I717 WeakPolarHBondContact O-CG1 3.48Å; A713-I717 PolarHBondContact O-N 2.86Å; A713-I717 VanDerWaalsContact O-N 3.08Å; W714-I717 HydrophobicContact CZ3-CG2 4.43Å; W714-I717 PolarHBondContact O-N 3.05Å; P715-I717 PolarHBondContact O-N 3.05Å; I717-G720 PolarHBondContact O-N 3.09Å; I717-L721 HydrophobicContact CG2-CD1 3.79Å; I717-L721 HydrophobicContact CG2-CG 4.24Å; I717-L721 VanDerWaalsContact O-CB 3.31Å; I717-L721 WeakPolarHBondContact O-CB 3.12Å; I717-L721 VanDerWaalsContact O-CG 3.27Å; I717-L721 WeakPolarHBondContact O-CG 3.4Å; I717-L721 PolarHBondContact O-N 3.26Å; I717-V753 HydrophobicContact CG1-CG1 4.36Å; I717-I757 HydrophobicContact CD1-CD1 3.86Å; I717-I757 HydrophobicContact CG1-CD1 3.59Å
718Q92.3Very high91.9Very high9 Ų920.6 Ų20.64%0.04211%0.107CC..Hα-helixtrans-62.6-45.1177.4-70.4179.7-51.200111.8C149 F218 W714 P715 A722C149-Q718 PolarHBondContact O-NE2 3.42Å; F218-Q718 HydrophobicContact CB-CB 4.48Å; F218-Q718 HydrophobicContact CD2-CB 3.66Å; F218-Q718 HydrophobicContact CE2-CB 3.9Å; F218-Q718 HydrophobicContact CG-CB 4.02Å; F218-Q718 HydrophobicContact CZ-CB 4.49Å; W714-Q718 HydrophobicContact CD2-CG 4.07Å; W714-Q718 VanDerWaalsContact CE2-CD 3.46Å; W714-Q718 VanDerWaalsContact CE2-NE2 3.33Å; W714-Q718 HydrophobicContact CH2-CG 4.41Å; W714-Q718 HydrophobicContact CZ2-CG 3.92Å; W714-Q718 WeakPolarHBondContact O-CG 3.44Å; W714-Q718 PolarHBondContact O-N 3.21Å; P715-Q718 PolarHBondContact O-N 3.13Å; Q718-A722 WeakPolarHBondContact O-CB 3.43Å; Q718-A722 PolarHBondContact O-N 3.47Å
719G92.4Very high92Very high2 Ų221.3 Ų21.32%0.02111%0.111CC..Hα-helixtrans-62.2-48.3174.600000111.9P715 I716 L721 A722 T723P715-G719 PolarHBondContact O-N 2.91Å; I716-G719 PolarHBondContact O-N 3.27Å; G719-L721 PolarHBondContact O-N 3.49Å; G719-A722 WeakPolarHBondContact O-CB 3.12Å; G719-A722 PolarHBondContact O-N 3.46Å; G719-A722 VanDerWaalsContact O-N 3.16Å; G719-T723 PolarHBondContact O-N 3.39Å; G719-T723 PolarHBondContact O-OG1 3.37Å
720G93.3Very high91.8Very high3 Ų321.2 Ų21.23%0.03111%0.111CC..Hα-helixtrans-59-45.6176.500000112.9I716 I717 A722 T723 V724I716-G720 PolarHBondContact O-N 3.44Å; I717-G720 PolarHBondContact O-N 3.09Å; G720-A722 VanDerWaalsContact C-N 3.33Å; G720-A722 PolarHBondContact O-N 3.01Å; G720-T723 PolarHBondContact O-N 3.18Å; G720-V724 WeakPolarHBondContact O-CG2 3.35Å; G720-V724 PolarHBondContact O-N 2.85Å
721L94.5Very high91.8Very high89 Ų8923.1 Ų23.147%0.46613%0.127SC..Hα-helixtrans-65.6-35.2176.1-73.9174.7000112.6F145 I717 G719 V724 L725F145-L721 HydrophobicContact CE1-CB 4.45Å; F145-L721 HydrophobicContact CE2-CB 4.12Å; F145-L721 HydrophobicContact CZ-CB 3.59Å; F145-L721 HydrophobicContact CZ-CD1 4.46Å; I717-L721 HydrophobicContact CG2-CD1 3.79Å; I717-L721 HydrophobicContact CG2-CG 4.24Å; I717-L721 VanDerWaalsContact O-CB 3.31Å; I717-L721 WeakPolarHBondContact O-CB 3.12Å; I717-L721 VanDerWaalsContact O-CG 3.27Å; I717-L721 WeakPolarHBondContact O-CG 3.4Å; I717-L721 PolarHBondContact O-N 3.26Å; G719-L721 PolarHBondContact O-N 3.49Å; L721-V724 PolarHBondContact O-N 3.22Å; L721-L725 VanDerWaalsContact O-CB 3.3Å; L721-L725 WeakPolarHBondContact O-CB 3.49Å; L721-L725 PolarHBondContact O-N 3.23Å
722A94.2Very high91.9Very high0 Ų025.4 Ų25.40%014%0.142CC..Hα-helixtrans-63.5-45.6173.300000111.6L142 F145 L214 F218 Q718 G719 G720 V724 L725 G726L142-A722 HydrophobicContact CD2-CB 4.35Å; L142-A722 VanDerWaalsContact CD2-O 3.27Å; L142-A722 WeakPolarHBondContact CD2-O 3.31Å; F145-A722 HydrophobicContact CD1-CB 4.21Å; F145-A722 HydrophobicContact CE1-CB 3.82Å; L214-A722 HydrophobicContact CD2-CB 3.49Å; L214-A722 VanDerWaalsContact CD2-CB 3.49Å; F218-A722 HydrophobicContact CE2-CB 4.28Å; Q718-A722 WeakPolarHBondContact O-CB 3.43Å; Q718-A722 PolarHBondContact O-N 3.47Å; G719-A722 WeakPolarHBondContact O-CB 3.12Å; G719-A722 PolarHBondContact O-N 3.46Å; G719-A722 VanDerWaalsContact O-N 3.16Å; G720-A722 VanDerWaalsContact C-N 3.33Å; G720-A722 PolarHBondContact O-N 3.01Å; A722-V724 PolarHBondContact O-N 3.21Å; A722-L725 PolarHBondContact O-N 2.93Å; A722-G726 PolarHBondContact O-N 2.93Å
723T92.8Very high91.7Very high4 Ų425 Ų253%0.02514%0.141CC..Hα-helixtrans-60.9-45.5175.7-55.20000111.2V212 G719 G720 L725 G726 V727 V745 I749V212-T723 HydrophobicContact CG2-CG2 4.03Å; G719-T723 PolarHBondContact O-N 3.39Å; G719-T723 PolarHBondContact O-OG1 3.37Å; G720-T723 PolarHBondContact O-N 3.18Å; T723-L725 PolarHBondContact O-N 2.77Å; T723-G726 PolarHBondContact O-N 3.47Å; T723-V727 HydrophobicContact CG2-CG2 4.43Å; T723-V727 WeakPolarHBondContact O-CB 3.49Å; T723-V727 VanDerWaalsContact O-CG2 3.26Å; T723-V727 WeakPolarHBondContact O-CG2 3.5Å; T723-V727 PolarHBondContact O-N 2.68Å; T723-V745 HydrophobicContact CG2-CG1 4.01Å; T723-I749 HydrophobicContact CG2-CD1 3.78Å; T723-I749 HydrophobicContact CG2-CG1 3.93Å
724V93.9Very high91.4Very high36 Ų3630.8 Ų30.822%0.21817%0.172CC..Hα-helixtrans-60.1-45.1175171.30000111.3G720 L721 A722 G726 V727 L728 L746 I749G720-V724 WeakPolarHBondContact O-CG2 3.35Å; G720-V724 PolarHBondContact O-N 2.85Å; L721-V724 PolarHBondContact O-N 3.22Å; A722-V724 PolarHBondContact O-N 3.21Å; V724-G726 PolarHBondContact O-N 3.48Å; V724-V727 PolarHBondContact O-N 3.35Å; V724-L728 WeakPolarHBondContact O-CA 3.5Å; V724-L728 WeakPolarHBondContact O-CB 3.37Å; V724-L728 PolarHBondContact O-N 3.44Å; V724-L746 HydrophobicContact CG1-CD1 4Å; V724-L746 HydrophobicContact CG2-CD1 3.89Å; V724-I749 HydrophobicContact CG2-CB 4.12Å; V724-I749 HydrophobicContact CG2-CG1 4.45Å; V724-I749 HydrophobicContact CG2-CG2 3.83Å
725L93.7Very high91.1Very high45 Ų4527.8 Ų27.824%0.23616%0.161CC..Hα-helixtrans-65.1-39.6179.3-177.264.3000112.3A141 L142 F145 L721 A722 T723 L728A141-L725 HydrophobicContact CB-CD1 4.48Å; A141-L725 HydrophobicContact CB-CD2 4.32Å; A141-L725 HydrophobicContact CB-CG 4.29Å; L142-L725 HydrophobicContact CD2-CB 4.42Å; L142-L725 HydrophobicContact CD2-CD2 4.47Å; F145-L725 HydrophobicContact CB-CD2 3.34Å; F145-L725 HydrophobicContact CD1-CD2 4.37Å; F145-L725 HydrophobicContact CD2-CD2 4.12Å; F145-L725 HydrophobicContact CG-CD2 3.7Å; L721-L725 VanDerWaalsContact O-CB 3.3Å; L721-L725 WeakPolarHBondContact O-CB 3.49Å; L721-L725 PolarHBondContact O-N 3.23Å; A722-L725 PolarHBondContact O-N 2.93Å; T723-L725 PolarHBondContact O-N 2.77Å; L725-L728 HydrophobicContact CD1-CD2 4.46Å; L725-L728 PolarHBondContact O-N 2.89Å
726G91.6Very high90.9Very high0 Ų029.8 Ų29.80%017%0.168CC..Hα-helixtrans-63-44.8178.200000111.8A722 T723 V724A722-G726 PolarHBondContact O-N 2.93Å; T723-G726 PolarHBondContact O-N 3.47Å; V724-G726 PolarHBondContact O-N 3.48Å
727V91.5Very high90.5Very high2 Ų229.4 Ų29.41%0.01217%0.166CC..Hα-helixtrans-80.2-24.4-179.9-1750000111.7L208 T723 V724 V729 L730 F742 V745L208-V727 HydrophobicContact CD2-CG2 3.57Å; T723-V727 HydrophobicContact CG2-CG2 4.43Å; T723-V727 WeakPolarHBondContact O-CB 3.49Å; T723-V727 VanDerWaalsContact O-CG2 3.26Å; T723-V727 WeakPolarHBondContact O-CG2 3.5Å; T723-V727 PolarHBondContact O-N 2.68Å; V724-V727 PolarHBondContact O-N 3.35Å; V727-V729 PolarHBondContact O-N 3.26Å; V727-V729 VanDerWaalsContact O-N 3.14Å; V727-L730 HydrophobicContact CG1-CD1 3.95Å; V727-L730 WeakPolarHBondContact O-CA 3.08Å; V727-L730 WeakPolarHBondContact O-CB 3.39Å; V727-L730 PolarHBondContact O-N 3.36Å; V727-F742 HydrophobicContact CG1-CB 4.08Å; V727-F742 HydrophobicContact CG1-CD2 3.83Å; V727-F742 HydrophobicContact CG1-CG 4.45Å; V727-F742 WeakPolarHBondContact O-CD2 3.46Å; V727-V745 HydrophobicContact CG1-CB 4.21Å; V727-V745 HydrophobicContact CG1-CG1 4.41Å; V727-V745 HydrophobicContact CG2-CG1 3.93Å
728L92.6Very high90.2Very high88 Ų8827.4 Ų27.446%0.46116%0.156SC..Hα-helixtrans-58.1-30.4175.8-179.364.5000112.3V724 L725 L730 A731 F742V724-L728 WeakPolarHBondContact O-CA 3.5Å; V724-L728 WeakPolarHBondContact O-CB 3.37Å; V724-L728 PolarHBondContact O-N 3.44Å; L725-L728 HydrophobicContact CD1-CD2 4.46Å; L725-L728 PolarHBondContact O-N 2.89Å; L728-L730 PolarHBondContact O-N 3.14Å; L728-A731 HydrophobicContact CD1-CB 4.34Å; L728-A731 VanDerWaalsContact O-CB 3.28Å; L728-A731 WeakPolarHBondContact O-CB 3.33Å; L728-A731 PolarHBondContact O-N 3.4Å; L728-A731 VanDerWaalsContact O-N 3.09Å; L728-F742 HydrophobicContact CB-CE2 4.43Å; L728-F742 HydrophobicContact CD1-CE2 3.98Å; L728-F742 HydrophobicContact CD1-CZ 4.09Å
729V91Very high90.1Very high15 Ų1529.8 Ų29.89%0.09117%0.169CC..THydrogen-bonded Turntrans-60.5-33.7174.5-173.40000111.3K134 V137 M138 F207 V727 A731 S732K134-V729 HydrophobicContact CB-CG1 3.86Å; K134-V729 HydrophobicContact CD-CG1 4.14Å; V137-V729 HydrophobicContact CB-CG1 4Å; V137-V729 HydrophobicContact CG1-CG1 3.94Å; V137-V729 HydrophobicContact CG1-CG2 4.32Å; M138-V729 HydrophobicContact CB-CB 4.49Å; M138-V729 HydrophobicContact CB-CG2 4.09Å; F207-V729 HydrophobicContact CE1-CG1 4.49Å; V727-V729 PolarHBondContact O-N 3.26Å; V727-V729 VanDerWaalsContact O-N 3.14Å; V729-A731 VanDerWaalsContact C-N 3.31Å; V729-A731 PolarHBondContact O-N 2.93Å; V729-S732 PolarHBondContact O-N 2.96Å; V729-S732 PolarHBondContact O-OG 3.38Å
730L88.4Confident90Very high0 Ų029.9 Ų29.90%017%0.169CC..G310 helixtrans-67.3-29.6176.8-58.5-179.1000112.5L131 V204 F207 V727 L728 S732 V733 V738L131-L730 HydrophobicContact CD2-CD2 3.56Å; V204-L730 HydrophobicContact CG1-CD1 3.78Å; F207-L730 HydrophobicContact CB-CD1 4.26Å; F207-L730 HydrophobicContact CD1-CD2 3.75Å; F207-L730 HydrophobicContact CD1-CG 4.18Å; F207-L730 HydrophobicContact CD2-CD2 3.84Å; F207-L730 HydrophobicContact CE1-CD2 3.77Å; F207-L730 HydrophobicContact CE2-CD2 3.83Å; F207-L730 HydrophobicContact CG-CD1 4.38Å; F207-L730 HydrophobicContact CG-CD2 3.79Å; F207-L730 HydrophobicContact CG-CG 4.27Å; F207-L730 HydrophobicContact CZ-CD2 3.81Å; V727-L730 HydrophobicContact CG1-CD1 3.95Å; V727-L730 WeakPolarHBondContact O-CA 3.08Å; V727-L730 WeakPolarHBondContact O-CB 3.39Å; V727-L730 PolarHBondContact O-N 3.36Å; L728-L730 PolarHBondContact O-N 3.14Å; L730-S732 PolarHBondContact O-N 3.19Å; L730-V733 WeakPolarHBondContact O-CB 3.16Å; L730-V733 PolarHBondContact O-N 2.98Å; L730-V738 HydrophobicContact CB-CG1 3.56Å; L730-V738 HydrophobicContact CD2-CG1 4.1Å; L730-V738 HydrophobicContact CG-CG1 4.3Å; L730-V738 WeakPolarHBondContact O-CG1 3.47Å
731A88.9Confident89.8Confident40 Ų4029.8 Ų29.833%0.33117%0.168SC..G310 helixtrans-61.1-1917700000113.3L728 V729 V733 F742L728-A731 HydrophobicContact CD1-CB 4.34Å; L728-A731 VanDerWaalsContact O-CB 3.28Å; L728-A731 WeakPolarHBondContact O-CB 3.33Å; L728-A731 PolarHBondContact O-N 3.4Å; L728-A731 VanDerWaalsContact O-N 3.09Å; V729-A731 VanDerWaalsContact C-N 3.31Å; V729-A731 PolarHBondContact O-N 2.93Å; A731-V733 VanDerWaalsContact C-N 3.31Å; A731-F742 HydrophobicContact CB-CD1 3.78Å; A731-F742 HydrophobicContact CB-CD2 3.99Å; A731-F742 HydrophobicContact CB-CE1 3.81Å; A731-F742 HydrophobicContact CB-CE2 4.02Å; A731-F742 HydrophobicContact CB-CG 3.87Å; A731-F742 HydrophobicContact CB-CZ 3.93Å
732S87.1Confident89.7Confident60 Ų6027 Ų2742%0.4215%0.152SC..G310 helixtrans-80.4-7.9175.274.10000114.3K134 V729 L730K134-S732 WeakPolarHBondContact CE-OG 3.5Å; K134-S732 PolarHBondContact NZ-OG 2.74Å; V729-S732 PolarHBondContact O-N 2.96Å; V729-S732 PolarHBondContact O-OG 3.38Å; L730-S732 PolarHBondContact O-N 3.19Å
733V86.2Confident89.6Confident9 Ų929.6 Ų29.66%0.05516%0.164CC..SBendtrans-91.2119.5178.7-178.40000108.8K134 L730 A731 S735 V738K134-V733 HydrophobicContact CG-CG2 4.13Å; L730-V733 WeakPolarHBondContact O-CB 3.16Å; L730-V733 PolarHBondContact O-N 2.98Å; A731-V733 VanDerWaalsContact C-N 3.31Å; V733-S735 PolarHBondContact O-N 3.42Å; V733-V738 HydrophobicContact CB-CB 4.18Å; V733-V738 HydrophobicContact CB-CG1 3.83Å; V733-V738 HydrophobicContact CB-CG2 4.47Å; V733-V738 HydrophobicContact CG1-CB 4.18Å; V733-V738 HydrophobicContact CG1-CG1 4.29Å; V733-V738 HydrophobicContact CG1-CG2 4.02Å; V733-V738 HydrophobicContact CG2-CG1 4.28Å
734N85.1Confident89.6Confident120 Ų12029.5 Ų29.564%0.64216%0.163SC*.  trans-80.267.9-179.7-62.7-34.1000111V426 S427V426-N734 WeakPolarHBondContact CG1-O 3.12Å; S427-N734 WeakPolarHBondContact CB-O 3.36Å; S427-N734 PolarHBondContact N-O 3.35Å; S427-N734 WeakPolarHBondContact OG-CB 3.22Å; S427-N734 PolarHBondContact OG-O 3.36Å
735S86Confident89.5Confident5 Ų527.9 Ų27.94%0.03515%0.153CC..BIsolated β-bridgetrans-136.8136.5176.2173.90000108.9N127 V733 M737 V738 N739N127-S735 VanDerWaalsContact OD1-CB 3.27Å; N127-S735 WeakPolarHBondContact OD1-CB 3.37Å; N127-S735 PolarHBondContact OD1-OG 2.91Å; V733-S735 PolarHBondContact O-N 3.42Å; S735-M737 VanDerWaalsContact C-N 3.31Å; S735-M737 PolarHBondContact O-N 3.39Å; S735-V738 PolarHBondContact O-N 3.21Å; S735-N739 VanDerWaalsContact O-CB 3.28Å; S735-N739 WeakPolarHBondContact O-CB 3.46Å; S735-N739 PolarHBondContact O-N 2.86Å
736Y86.6Confident89.5Confident49 Ų4927.6 Ų27.619%0.19215%0.151CC..Hα-helixtrans-59.6-46176.8163.9-85.4000110.4L419 N423 L665 P666 D668 V738 N739 A740L419-Y736 HydrophobicContact CD1-CE1 4.17Å; N423-Y736 HydrophobicContact CB-CD1 3.57Å; N423-Y736 HydrophobicContact CB-CD2 4.44Å; N423-Y736 HydrophobicContact CB-CE1 3.88Å; N423-Y736 HydrophobicContact CB-CG 3.88Å; N423-Y736 WeakPolarHBondContact O-CB 3.21Å; N423-Y736 WeakPolarHBondContact O-CD1 3.46Å; L665-Y736 HydrophobicContact CD2-CE2 4.3Å; P666-Y736 WeakPolarHBondContact CD-OH 3.3Å; P666-Y736 VanDerWaalsContact CG-OH 3.22Å; P666-Y736 WeakPolarHBondContact CG-OH 3.29Å; D668-Y736 VanDerWaalsContact OD2-CE1 3.3Å; D668-Y736 WeakPolarHBondContact OD2-CE1 3.39Å; D668-Y736 PolarHBondContact OD2-OH 3.34Å; Y736-V738 VanDerWaalsContact C-N 3.31Å; Y736-V738 PolarHBondContact O-N 3.41Å; Y736-N739 PolarHBondContact O-N 3.47Å; Y736-A740 HydrophobicContact CE1-CB 4.26Å; Y736-A740 WeakPolarHBondContact O-CB 3.49Å; Y736-A740 PolarHBondContact O-N 2.85Å
737M85.4Confident89.6Confident0 Ų028.2 Ų28.20%016%0.155CC..Hα-helixtrans-52-52179.1174.7-178.973.300110.9N127 V201 I670 S735 A740 F741N127-M737 HydrophobicContact CB-CE 3.7Å; V201-M737 HydrophobicContact CG2-SD 4.18Å; I670-M737 HydrophobicContact CD1-CB 3.79Å; I670-M737 HydrophobicContact CD1-CG 3.65Å; I670-M737 HydrophobicContact CD1-SD 4.48Å; I670-M737 HydrophobicContact CG1-CG 4.08Å; I670-M737 HydrophobicContact CG2-CG 4.31Å; S735-M737 VanDerWaalsContact C-N 3.31Å; S735-M737 PolarHBondContact O-N 3.39Å; M737-A740 PolarHBondContact O-N 3.16Å; M737-F741 HydrophobicContact CG-CD2 4.15Å; M737-F741 HydrophobicContact CG-CE2 4.15Å; M737-F741 VanDerWaalsContact O-CD2 3.27Å; M737-F741 WeakPolarHBondContact O-CD2 3.16Å; M737-F741 PolarHBondContact O-N 3.41Å; M737-F741 VanDerWaalsContact O-N 3.09Å
738V87.7Confident89.8Confident0 Ų028.2 Ų28.20%016%0.155CC..Hα-helixtrans-70.3-36.9-176.3-175.50000111.7L131 L730 V733 S735 Y736 F741 F742L131-V738 HydrophobicContact CD1-CG2 4.49Å; L131-V738 HydrophobicContact CD2-CG1 4.39Å; L131-V738 HydrophobicContact CD2-CG2 4.24Å; L730-V738 HydrophobicContact CB-CG1 3.56Å; L730-V738 HydrophobicContact CD2-CG1 4.1Å; L730-V738 HydrophobicContact CG-CG1 4.3Å; L730-V738 WeakPolarHBondContact O-CG1 3.47Å; V733-V738 HydrophobicContact CB-CB 4.18Å; V733-V738 HydrophobicContact CB-CG1 3.83Å; V733-V738 HydrophobicContact CB-CG2 4.47Å; V733-V738 HydrophobicContact CG1-CB 4.18Å; V733-V738 HydrophobicContact CG1-CG1 4.29Å; V733-V738 HydrophobicContact CG1-CG2 4.02Å; V733-V738 HydrophobicContact CG2-CG1 4.28Å; S735-V738 PolarHBondContact O-N 3.21Å; Y736-V738 VanDerWaalsContact C-N 3.31Å; Y736-V738 PolarHBondContact O-N 3.41Å; V738-F741 WeakPolarHBondContact O-CB 3.39Å; V738-F741 PolarHBondContact O-N 3.32Å; V738-F742 PolarHBondContact O-N 3.44Å
739N89.2Confident89.8Confident59 Ų5924.3 Ų24.332%0.31613%0.134SC..Hα-helixtrans-69-37.6176.2-170.520.7000112.4S735 Y736 F742 K743S735-N739 VanDerWaalsContact O-CB 3.28Å; S735-N739 WeakPolarHBondContact O-CB 3.46Å; S735-N739 PolarHBondContact O-N 2.86Å; Y736-N739 PolarHBondContact O-N 3.47Å; N739-F742 PolarHBondContact O-N 2.93Å; N739-K743 WeakPolarHBondContact O-CB 3.2Å; N739-K743 VanDerWaalsContact O-CG 3.3Å; N739-K743 WeakPolarHBondContact O-CG 3.36Å; N739-K743 PolarHBondContact O-N 3.46Å; N739-K743 WeakPolarHBondContact OD1-CE 3.44Å
740A89.4Confident90Very high3 Ų328 Ų283%0.02515%0.153CC..Hα-helixtrans-60.8-49.7173.600000109.9L665 I670 Y736 M737 F742 K743 T744L665-A740 HydrophobicContact CD2-CB 4.29Å; I670-A740 HydrophobicContact CG2-CB 4.35Å; Y736-A740 HydrophobicContact CE1-CB 4.26Å; Y736-A740 WeakPolarHBondContact O-CB 3.49Å; Y736-A740 PolarHBondContact O-N 2.85Å; M737-A740 PolarHBondContact O-N 3.16Å; A740-F742 PolarHBondContact O-N 3.34Å; A740-K743 PolarHBondContact O-N 2.96Å; A740-T744 WeakPolarHBondContact O-CG2 3.41Å; A740-T744 PolarHBondContact O-N 3.41Å; A740-T744 PolarHBondContact O-OG1 2.78Å
741F89.7Confident90.3Very high1 Ų128.6 Ų28.60%0.00416%0.156CC..Hα-helixtrans-53-49.1172.2-91.4-73.2000112.8V201 V204 I670 I673 T674 M677 M737 V738 K743 T744 V745V201-F741 HydrophobicContact CG1-CE2 4.28Å; V201-F741 HydrophobicContact CG1-CZ 4.2Å; V204-F741 HydrophobicContact CG1-CB 4.42Å; V204-F741 HydrophobicContact CG1-CD1 4.04Å; V204-F741 HydrophobicContact CG1-CD2 4.35Å; V204-F741 HydrophobicContact CG1-CE1 4.42Å; V204-F741 HydrophobicContact CG1-CG 4.05Å; V204-F741 HydrophobicContact CG2-CD2 4.2Å; V204-F741 HydrophobicContact CG2-CE2 4.29Å; I670-F741 HydrophobicContact CG2-CD2 3.6Å; I670-F741 HydrophobicContact CG2-CE2 3.43Å; I670-F741 VanDerWaalsContact CG2-CE2 3.43Å; I670-F741 HydrophobicContact CG2-CG 4.34Å; I670-F741 HydrophobicContact CG2-CZ 4.04Å; I673-F741 HydrophobicContact CB-CE1 4.31Å; I673-F741 HydrophobicContact CB-CZ 4.17Å; I673-F741 HydrophobicContact CD1-CZ 4.37Å; I673-F741 HydrophobicContact CG2-CE1 3.83Å; I673-F741 HydrophobicContact CG2-CZ 3.92Å; T674-F741 HydrophobicContact CG2-CD1 3.16Å; T674-F741 HydrophobicContact CG2-CE1 3.38Å; T674-F741 HydrophobicContact CG2-CG 3.96Å; T674-F741 HydrophobicContact CG2-CZ 4.34Å; M677-F741 HydrophobicContact SD-CE1 4.35Å; M737-F741 HydrophobicContact CG-CD2 4.15Å; M737-F741 HydrophobicContact CG-CE2 4.15Å; M737-F741 VanDerWaalsContact O-CD2 3.27Å; M737-F741 WeakPolarHBondContact O-CD2 3.16Å; M737-F741 PolarHBondContact O-N 3.41Å; M737-F741 VanDerWaalsContact O-N 3.09Å; V738-F741 WeakPolarHBondContact O-CB 3.39Å; V738-F741 PolarHBondContact O-N 3.32Å; F741-K743 PolarHBondContact O-N 2.72Å; F741-T744 PolarHBondContact O-OG1 3.3Å; F741-V745 WeakPolarHBondContact O-CB 3.37Å; F741-V745 VanDerWaalsContact O-CG2 3.23Å; F741-V745 WeakPolarHBondContact O-CG2 3.45Å; F741-V745 PolarHBondContact O-N 2.7Å; F741-V745 VanDerWaalsContact O-N 3.08Å
742F92.3Very high90.5Very high30 Ų3026.7 Ų26.713%0.13214%0.141CC..Hα-helixtrans-60.1-49.3179.7164.3-106.7000112.3V727 L728 A731 V738 N739 A740 L746V727-F742 HydrophobicContact CG1-CB 4.08Å; V727-F742 HydrophobicContact CG1-CD2 3.83Å; V727-F742 HydrophobicContact CG1-CG 4.45Å; V727-F742 WeakPolarHBondContact O-CD2 3.46Å; L728-F742 HydrophobicContact CB-CE2 4.43Å; L728-F742 HydrophobicContact CD1-CE2 3.98Å; L728-F742 HydrophobicContact CD1-CZ 4.09Å; A731-F742 HydrophobicContact CB-CD1 3.78Å; A731-F742 HydrophobicContact CB-CD2 3.99Å; A731-F742 HydrophobicContact CB-CE1 3.81Å; A731-F742 HydrophobicContact CB-CE2 4.02Å; A731-F742 HydrophobicContact CB-CG 3.87Å; A731-F742 HydrophobicContact CB-CZ 3.93Å; V738-F742 PolarHBondContact O-N 3.44Å; N739-F742 PolarHBondContact O-N 2.93Å; A740-F742 PolarHBondContact O-N 3.34Å; F742-L746 HydrophobicContact CE1-CD2 4.39Å; F742-L746 HydrophobicContact CZ-CD2 3.97Å; F742-L746 VanDerWaalsContact O-CB 3.25Å; F742-L746 WeakPolarHBondContact O-CB 2.87Å; F742-L746 PolarHBondContact O-N 3.39Å
743K92.4Very high90.9Very high56 Ų5625 Ų2524%0.24313%0.128CC..Hα-helixtrans-62.8-47.1-177.7-79.4176.7178.3-178.40112.3W663 L665 N739 A740 F741 L746 L747W663-K743 HydrophobicContact CE3-CB 3.72Å; W663-K743 HydrophobicContact CE3-CD 4.12Å; W663-K743 HydrophobicContact CE3-CG 3.94Å; W663-K743 HydrophobicContact CZ3-CB 3.59Å; W663-K743 HydrophobicContact CZ3-CD 4.47Å; W663-K743 HydrophobicContact CZ3-CG 3.81Å; W663-K743 WeakPolarHBondContact CZ3-O 3.46Å; L665-K743 HydrophobicContact CD1-CB 3.85Å; L665-K743 HydrophobicContact CD1-CD 4.06Å; L665-K743 HydrophobicContact CD2-CD 4.14Å; L665-K743 HydrophobicContact CG-CD 4.44Å; N739-K743 WeakPolarHBondContact O-CB 3.2Å; N739-K743 VanDerWaalsContact O-CG 3.3Å; N739-K743 WeakPolarHBondContact O-CG 3.36Å; N739-K743 PolarHBondContact O-N 3.46Å; N739-K743 WeakPolarHBondContact OD1-CE 3.44Å; A740-K743 PolarHBondContact O-N 2.96Å; F741-K743 PolarHBondContact O-N 2.72Å; K743-L746 PolarHBondContact O-N 3.05Å; K743-L747 WeakPolarHBondContact O-CB 3.45Å; K743-L747 PolarHBondContact O-N 2.94Å
744T92.5Very high91.3Very high1 Ų126.5 Ų26.51%0.00614%0.139CC..Hα-helixtrans-67.9-43.1-178.155.10000111.3M660 L665 T674 A740 F741 L746 L747 V748M660-T744 HydrophobicContact CE-CG2 3.56Å; M660-T744 HydrophobicContact CG-CG2 3.82Å; M660-T744 HydrophobicContact SD-CG2 3.6Å; L665-T744 HydrophobicContact CD1-CG2 3.98Å; T674-T744 WeakPolarHBondContact CB-OG1 3.29Å; T674-T744 WeakPolarHBondContact CG2-OG1 3.4Å; T674-T744 WeakPolarHBondContact OG1-CB 3.5Å; T674-T744 PolarHBondContact OG1-OG1 3.34Å; T674-T744 VanDerWaalsContact OG1-OG1 3.09Å; A740-T744 WeakPolarHBondContact O-CG2 3.41Å; A740-T744 PolarHBondContact O-N 3.41Å; A740-T744 PolarHBondContact O-OG1 2.78Å; F741-T744 PolarHBondContact O-OG1 3.3Å; T744-L746 PolarHBondContact O-N 3.44Å; T744-L747 WeakPolarHBondContact O-CB 3.43Å; T744-L747 PolarHBondContact O-N 2.89Å; T744-V748 VanDerWaalsContact O-CG2 3.29Å; T744-V748 WeakPolarHBondContact O-CG2 3.42Å; T744-V748 PolarHBondContact O-N 3.08Å
745V92.4Very high91.8Very high3 Ų320.8 Ų20.82%0.01811%0.108CC..Hα-helixtrans-65.8-39.6177.4177.20000111.4L208 M677 T723 V727 F741 L747 V748 I749L208-V745 HydrophobicContact CD2-CG1 4.22Å; L208-V745 HydrophobicContact CD2-CG2 3.96Å; M677-V745 HydrophobicContact CE-CG2 3.59Å; T723-V745 HydrophobicContact CG2-CG1 4.01Å; V727-V745 HydrophobicContact CG1-CB 4.21Å; V727-V745 HydrophobicContact CG1-CG1 4.41Å; V727-V745 HydrophobicContact CG2-CG1 3.93Å; F741-V745 WeakPolarHBondContact O-CB 3.37Å; F741-V745 VanDerWaalsContact O-CG2 3.23Å; F741-V745 WeakPolarHBondContact O-CG2 3.45Å; F741-V745 PolarHBondContact O-N 2.7Å; F741-V745 VanDerWaalsContact O-N 3.08Å; V745-L747 VanDerWaalsContact C-N 3.28Å; V745-L747 PolarHBondContact O-N 2.9Å; V745-V748 PolarHBondContact O-N 3.31Å; V745-I749 HydrophobicContact CG1-CG1 4.35Å; V745-I749 WeakPolarHBondContact O-CG1 3.21Å; V745-I749 PolarHBondContact O-N 2.93Å
746L94.1Very high92.1Very high38 Ų3820.6 Ų20.620%0.19911%0.106CC..Hα-helixtrans-57.4-44.1173.5179.163000111.5W663 V724 F742 K743 T744 I749 I750W663-L746 HydrophobicContact CH2-CD2 4.33Å; V724-L746 HydrophobicContact CG1-CD1 4Å; V724-L746 HydrophobicContact CG2-CD1 3.89Å; F742-L746 HydrophobicContact CE1-CD2 4.39Å; F742-L746 HydrophobicContact CZ-CD2 3.97Å; F742-L746 VanDerWaalsContact O-CB 3.25Å; F742-L746 WeakPolarHBondContact O-CB 2.87Å; F742-L746 PolarHBondContact O-N 3.39Å; K743-L746 PolarHBondContact O-N 3.05Å; T744-L746 PolarHBondContact O-N 3.44Å; L746-I749 PolarHBondContact O-N 3.31Å; L746-I750 HydrophobicContact CD1-CD1 3.85Å; L746-I750 HydrophobicContact CD1-CG1 4.3Å; L746-I750 HydrophobicContact CG-CD1 3.85Å; L746-I750 VanDerWaalsContact O-CG1 3.27Å; L746-I750 WeakPolarHBondContact O-CG1 3.42Å; L746-I750 PolarHBondContact O-N 3.04Å
747L93.8Very high92.5Very high13 Ų1318.7 Ų18.77%0.06810%0.099CC..Hα-helixtrans-63.3-45.9176.9179.164.2000111.8V656 Y659 M660 K743 T744 V745 I749 I750 V751V656-L747 HydrophobicContact CB-CD2 4.38Å; V656-L747 HydrophobicContact CG1-CD2 4.17Å; V656-L747 HydrophobicContact CG2-CG 4.33Å; V656-L747 WeakPolarHBondContact O-CD2 3Å; Y659-L747 HydrophobicContact CD2-CD1 4.12Å; Y659-L747 HydrophobicContact CG-CD1 4.04Å; M660-L747 HydrophobicContact CG-CD2 4.14Å; K743-L747 WeakPolarHBondContact O-CB 3.45Å; K743-L747 PolarHBondContact O-N 2.94Å; T744-L747 WeakPolarHBondContact O-CB 3.43Å; T744-L747 PolarHBondContact O-N 2.89Å; V745-L747 VanDerWaalsContact C-N 3.28Å; V745-L747 PolarHBondContact O-N 2.9Å; L747-I749 VanDerWaalsContact C-N 3.32Å; L747-I749 PolarHBondContact O-N 3.04Å; L747-I750 PolarHBondContact O-N 3.46Å; L747-V751 HydrophobicContact CD1-CG2 3.83Å; L747-V751 HydrophobicContact CG-CG2 4.4Å; L747-V751 VanDerWaalsContact O-CB 3.3Å; L747-V751 WeakPolarHBondContact O-CB 3.18Å; L747-V751 VanDerWaalsContact O-CG2 3.24Å; L747-V751 WeakPolarHBondContact O-CG2 3.25Å; L747-V751 PolarHBondContact O-N 3.14Å
748V93.9Very high93Very high2 Ų221 Ų211%0.01211%0.112CC..Hα-helixtrans-55.9-46175.51710000111.1V656 F681 T744 V745 G752V656-V748 HydrophobicContact CG1-CG2 4Å; V656-V748 HydrophobicContact CG2-CB 4.5Å; V656-V748 HydrophobicContact CG2-CG2 3.74Å; F681-V748 HydrophobicContact CB-CG1 4.46Å; T744-V748 VanDerWaalsContact O-CG2 3.29Å; T744-V748 WeakPolarHBondContact O-CG2 3.42Å; T744-V748 PolarHBondContact O-N 3.08Å; V745-V748 PolarHBondContact O-N 3.31Å; V748-G752 WeakPolarHBondContact O-CA 3.26Å; V748-G752 PolarHBondContact O-N 3.02Å
749I94Very high93.3Very high6 Ų621.7 Ų21.73%0.03111%0.114CC..Hα-helixtrans-69.2-45.3-178.7-62.4-61.7000111.5F685 T723 V724 V745 L746 L747 V751 G752 V753F685-I749 HydrophobicContact CE2-CD1 3.99Å; F685-I749 HydrophobicContact CZ-CD1 3.77Å; T723-I749 HydrophobicContact CG2-CD1 3.78Å; T723-I749 HydrophobicContact CG2-CG1 3.93Å; V724-I749 HydrophobicContact CG2-CB 4.12Å; V724-I749 HydrophobicContact CG2-CG1 4.45Å; V724-I749 HydrophobicContact CG2-CG2 3.83Å; V745-I749 HydrophobicContact CG1-CG1 4.35Å; V745-I749 WeakPolarHBondContact O-CG1 3.21Å; V745-I749 PolarHBondContact O-N 2.93Å; L746-I749 PolarHBondContact O-N 3.31Å; L747-I749 VanDerWaalsContact C-N 3.32Å; L747-I749 PolarHBondContact O-N 3.04Å; I749-V751 PolarHBondContact O-N 2.91Å; I749-G752 PolarHBondContact O-N 3.29Å; I749-V753 HydrophobicContact CG2-CG2 4.04Å; I749-V753 VanDerWaalsContact O-CB 3.3Å; I749-V753 WeakPolarHBondContact O-CB 3.24Å; I749-V753 VanDerWaalsContact O-CG2 3.27Å; I749-V753 WeakPolarHBondContact O-CG2 3.16Å; I749-V753 PolarHBondContact O-N 3.24Å
750I94.1Very high93.5Very high94 Ų9418.9 Ų18.948%0.48210%0.099SC..Hα-helixtrans-61.2-48.8179.6-69.5168.9000110.2L746 L747 S754L746-I750 HydrophobicContact CD1-CD1 3.85Å; L746-I750 HydrophobicContact CD1-CG1 4.3Å; L746-I750 HydrophobicContact CG-CD1 3.85Å; L746-I750 VanDerWaalsContact O-CG1 3.27Å; L746-I750 WeakPolarHBondContact O-CG1 3.42Å; L746-I750 PolarHBondContact O-N 3.04Å; L747-I750 PolarHBondContact O-N 3.46Å; I750-S754 VanDerWaalsContact O-CB 3.29Å; I750-S754 WeakPolarHBondContact O-CB 3.43Å; I750-S754 PolarHBondContact O-N 3.03Å; I750-S754 PolarHBondContact O-OG 3.5Å
751V95.2Very high93.7Very high12 Ų1218.8 Ų18.87%0.07310%0.098CC..Hα-helixtrans-68.7-45.6-179.1176.80000110.2Y404 I652 L747 I749 S754 H755Y404-V751 HydrophobicContact CE2-CG1 3.98Å; Y404-V751 HydrophobicContact CE2-CG2 4.37Å; Y404-V751 WeakPolarHBondContact OH-CG1 3.45Å; I652-V751 HydrophobicContact CB-CG1 4.21Å; I652-V751 HydrophobicContact CG1-CG1 4.08Å; I652-V751 HydrophobicContact CG2-CG1 3.93Å; L747-V751 HydrophobicContact CD1-CG2 3.83Å; L747-V751 HydrophobicContact CG-CG2 4.4Å; L747-V751 VanDerWaalsContact O-CB 3.3Å; L747-V751 WeakPolarHBondContact O-CB 3.18Å; L747-V751 VanDerWaalsContact O-CG2 3.24Å; L747-V751 WeakPolarHBondContact O-CG2 3.25Å; L747-V751 PolarHBondContact O-N 3.14Å; I749-V751 PolarHBondContact O-N 2.91Å; V751-S754 WeakPolarHBondContact O-CB 3.29Å; V751-S754 PolarHBondContact O-N 3Å; V751-H755 PolarHBondContact O-N 3.24Å; V751-H755 PolarHBondContact O-ND1 2.98Å
752G94.1Very high93.8Very high0 Ų018.8 Ų18.80%010%0.098CC..Hα-helixtrans-63.9-47.4-178.400000113.8V748 I749 S754 H755 G756V748-G752 WeakPolarHBondContact O-CA 3.26Å; V748-G752 PolarHBondContact O-N 3.02Å; I749-G752 PolarHBondContact O-N 3.29Å; G752-S754 VanDerWaalsContact C-N 3.31Å; G752-S754 PolarHBondContact O-N 2.91Å; G752-H755 PolarHBondContact O-N 3.49Å; G752-G756 PolarHBondContact O-N 3.1Å
753V94.9Very high93.7Very high25 Ų2518.6 Ų18.615%0.15210%0.099CC..Hα-helixtrans-63.8-39.1176.1172.70000110.7F685 I716 I717 I749 H755 G756 I757F685-V753 HydrophobicContact CD2-CG2 4.29Å; F685-V753 HydrophobicContact CE1-CG2 4.35Å; F685-V753 HydrophobicContact CE2-CG2 4.11Å; F685-V753 HydrophobicContact CG-CG2 4.47Å; F685-V753 HydrophobicContact CZ-CG2 4.14Å; I716-V753 HydrophobicContact CG2-CG1 4.33Å; I716-V753 HydrophobicContact CG2-CG2 4.24Å; I717-V753 HydrophobicContact CG1-CG1 4.36Å; I749-V753 HydrophobicContact CG2-CG2 4.04Å; I749-V753 VanDerWaalsContact O-CB 3.3Å; I749-V753 WeakPolarHBondContact O-CB 3.24Å; I749-V753 VanDerWaalsContact O-CG2 3.27Å; I749-V753 WeakPolarHBondContact O-CG2 3.16Å; I749-V753 PolarHBondContact O-N 3.24Å; V753-H755 VanDerWaalsContact C-N 3.34Å; V753-H755 PolarHBondContact O-N 3.46Å; V753-G756 PolarHBondContact O-N 3.45Å; V753-I757 HydrophobicContact CG1-CD1 3.78Å; V753-I757 HydrophobicContact CG1-CG1 4.44Å; V753-I757 WeakPolarHBondContact O-CB 3.4Å; V753-I757 PolarHBondContact O-N 2.88Å
754S94.8Very high93.5Very high40 Ų4016.2 Ų16.228%0.289%0.089SC..Hα-helixtrans-62.5-41.3175.1-59.50000111.7I750 V751 G752 I758 F759I750-S754 VanDerWaalsContact O-CB 3.29Å; I750-S754 WeakPolarHBondContact O-CB 3.43Å; I750-S754 PolarHBondContact O-N 3.03Å; I750-S754 PolarHBondContact O-OG 3.5Å; V751-S754 WeakPolarHBondContact O-CB 3.29Å; V751-S754 PolarHBondContact O-N 3Å; G752-S754 VanDerWaalsContact C-N 3.31Å; G752-S754 PolarHBondContact O-N 2.91Å; S754-I758 WeakPolarHBondContact O-CA 3.38Å; S754-I758 VanDerWaalsContact O-CB 3.24Å; S754-I758 WeakPolarHBondContact O-CB 3.06Å; S754-I758 PolarHBondContact O-N 3.12Å; S754-F759 PolarHBondContact O-N 3.14Å
755H95.1Very high93.2Very high0 Ų016.6 Ų16.60%09%0.091CC..Iπ-helixtrans-65.6-47.1175.5-78.172.9000112.4Y401 Y404 S651 I652 V751 G752 V753 I757 F759 L760Y401-H755 AromaticContact CE2-NE2 3.79Å; Y404-H755 AromaticContact CE1-CE1 3.65Å; Y404-H755 AromaticContact CE1-NE2 3.71Å; Y404-H755 AromaticContact CZ-CE1 3.55Å; S651-H755 PolarHBondContact OG-NE2 3.03Å; I652-H755 HydrophobicContact CD1-CB 3.66Å; I652-H755 HydrophobicContact CG1-CB 3.87Å; I652-H755 VanDerWaalsContact CG1-CG 3.45Å; V751-H755 PolarHBondContact O-N 3.24Å; V751-H755 PolarHBondContact O-ND1 2.98Å; G752-H755 PolarHBondContact O-N 3.49Å; V753-H755 VanDerWaalsContact C-N 3.34Å; V753-H755 PolarHBondContact O-N 3.46Å; H755-I757 PolarHBondContact O-N 2.88Å; H755-F759 HydrophobicContact CB-CD2 4.41Å; H755-F759 AromaticContact CD2-CD2 3.93Å; H755-F759 AromaticContact CE1-CD2 3.82Å; H755-F759 AromaticContact CE1-CE2 3.99Å; H755-F759 AromaticContact CG-CD2 3.79Å; H755-F759 AromaticContact ND1-CD2 3.72Å; H755-F759 AromaticContact NE2-CD2 3.94Å; H755-F759 PolarHBondContact O-N 3.18Å; H755-L760 WeakPolarHBondContact O-CB 3.03Å; H755-L760 PolarHBondContact O-N 3.34Å
756G93.1Very high92.8Very high0 Ų020.9 Ų20.90%011%0.113CC..Iπ-helixtrans-62.9-42.1179.600000113.7G752 V753 P761G752-G756 PolarHBondContact O-N 3.1Å; V753-G756 PolarHBondContact O-N 3.45Å; G756-P761 WeakPolarHBondContact O-CD 3.31Å
757I95Very high91.9Very high9 Ų920.9 Ų20.95%0.04612%0.118CC..Iπ-helixtrans-95.1-27.3-171.4-63-179.6000113.3F380 F384 L709 A713 I716 I717 V753 H755 P761F380-I757 HydrophobicContact CE1-CG2 4.39Å; F384-I757 HydrophobicContact CE1-CG2 3.63Å; F384-I757 HydrophobicContact CZ-CG2 3.92Å; L709-I757 HydrophobicContact CD2-CG2 4.17Å; A713-I757 HydrophobicContact CB-CD1 4.22Å; A713-I757 HydrophobicContact CB-CG1 4.45Å; I716-I757 HydrophobicContact CB-CD1 4.41Å; I716-I757 HydrophobicContact CG2-CD1 3.95Å; I716-I757 HydrophobicContact CG2-CG1 4.24Å; I717-I757 HydrophobicContact CD1-CD1 3.86Å; I717-I757 HydrophobicContact CG1-CD1 3.59Å; V753-I757 HydrophobicContact CG1-CD1 3.78Å; V753-I757 HydrophobicContact CG1-CG1 4.44Å; V753-I757 WeakPolarHBondContact O-CB 3.4Å; V753-I757 PolarHBondContact O-N 2.88Å; H755-I757 PolarHBondContact O-N 2.88Å; I757-P761 WeakPolarHBondContact O-CG 3.42Å
758I95.1Very high90.3Very high50 Ų5022.8 Ų22.826%0.25613%0.129SC..Iπ-helixtrans-114.7-62-171.7-52.1175.4000111.4F384 L388 V397 S754 V762F384-I758 HydrophobicContact CZ-CG1 4.3Å; L388-I758 HydrophobicContact CD1-CG2 4.15Å; V397-I758 HydrophobicContact CG1-CG2 3.9Å; V397-I758 HydrophobicContact CG2-CG2 3.84Å; S754-I758 WeakPolarHBondContact O-CA 3.38Å; S754-I758 VanDerWaalsContact O-CB 3.24Å; S754-I758 WeakPolarHBondContact O-CB 3.06Å; S754-I758 PolarHBondContact O-N 3.12Å; I758-V762 WeakPolarHBondContact O-CG2 3.49Å; I758-V762 PolarHBondContact O-N 3.09Å
759F94.6Very high88.5Confident13 Ų1324.8 Ų24.86%0.05714%0.139CC..Iπ-helixtrans-70.8-50-170.8-62.9-60.7000112.3V397 L400 Y401 M648 S754 H755 V762 L763V397-F759 HydrophobicContact CG1-CD1 3.6Å; V397-F759 HydrophobicContact CG1-CE1 4.02Å; L400-F759 HydrophobicContact CB-CE1 4.36Å; L400-F759 HydrophobicContact CD2-CE1 3.8Å; L400-F759 HydrophobicContact CD2-CZ 3.64Å; L400-F759 HydrophobicContact CG-CE1 4.32Å; L400-F759 HydrophobicContact CG-CZ 4.25Å; Y401-F759 HydrophobicContact CD2-CB 4.34Å; Y401-F759 AromaticContact CD2-CD1 3.72Å; Y401-F759 HydrophobicContact CD2-CD1 3.72Å; Y401-F759 HydrophobicContact CD2-CD2 4.34Å; Y401-F759 HydrophobicContact CD2-CE1 4.03Å; Y401-F759 AromaticContact CD2-CG 3.9Å; Y401-F759 HydrophobicContact CD2-CG 3.9Å; Y401-F759 HydrophobicContact CD2-CZ 4.46Å; Y401-F759 HydrophobicContact CG-CD1 4.13Å; Y401-F759 HydrophobicContact CG-CE1 4.36Å; M648-F759 HydrophobicContact SD-CB 4.25Å; S754-F759 PolarHBondContact O-N 3.14Å; H755-F759 HydrophobicContact CB-CD2 4.41Å; H755-F759 AromaticContact CD2-CD2 3.93Å; H755-F759 AromaticContact CE1-CD2 3.82Å; H755-F759 AromaticContact CE1-CE2 3.99Å; H755-F759 AromaticContact CG-CD2 3.79Å; H755-F759 AromaticContact ND1-CD2 3.72Å; H755-F759 AromaticContact NE2-CD2 3.94Å; H755-F759 PolarHBondContact O-N 3.18Å; F759-V762 PolarHBondContact O-N 3.05Å; F759-L763 WeakPolarHBondContact O-CG 3.5Å; F759-L763 PolarHBondContact O-N 2.7Å
760L93.3Very high86.2Confident0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-61.5-48-177.5177.567.4000112.6W644 M648 S686 I689 A690 H755 V762 L763 L764W644-L760 HydrophobicContact CB-CD1 4.24Å; M648-L760 HydrophobicContact CG-CB 4.09Å; M648-L760 HydrophobicContact CG-CD1 3.82Å; M648-L760 HydrophobicContact CG-CG 4.45Å; M648-L760 HydrophobicContact SD-CB 4.36Å; S686-L760 WeakPolarHBondContact O-CD2 3.29Å; I689-L760 HydrophobicContact CB-CD2 4.42Å; I689-L760 HydrophobicContact CG2-CD2 4.43Å; A690-L760 HydrophobicContact CB-CD2 4.39Å; H755-L760 WeakPolarHBondContact O-CB 3.03Å; H755-L760 PolarHBondContact O-N 3.34Å; L760-V762 VanDerWaalsContact C-N 3.3Å; L760-V762 PolarHBondContact O-N 3.12Å; L760-L763 PolarHBondContact O-N 2.95Å; L760-L764 HydrophobicContact CD1-CD1 3.97Å; L760-L764 HydrophobicContact CD1-CD2 4.28Å; L760-L764 HydrophobicContact CD1-CG 3.86Å; L760-L764 HydrophobicContact CD2-CD1 4.48Å; L760-L764 HydrophobicContact CG-CD1 3.88Å; L760-L764 HydrophobicContact CG-CG 4.18Å; L760-L764 WeakPolarHBondContact O-CB 3.44Å; L760-L764 WeakPolarHBondContact O-CG 3.49Å; L760-L764 PolarHBondContact O-N 3.28Å
761P93Very high83.8Confident1 Ų131.2 Ų31.21%0.00618%0.18CC..Hα-helixtrans-60.4-39178.6-26.536.9000113L388 M389 I689 I705 L709 G756 I757 S765L388-P761 HydrophobicContact CD2-CB 4.01Å; M389-P761 HydrophobicContact CE-CB 4.47Å; I689-P761 HydrophobicContact CG2-CG 4.08Å; I705-P761 HydrophobicContact CD1-CB 4.45Å; I705-P761 WeakPolarHBondContact CD1-O 3.34Å; I705-P761 HydrophobicContact CG2-CB 3.91Å; L709-P761 HydrophobicContact CD1-CB 4.4Å; L709-P761 HydrophobicContact CD1-CG 4.42Å; L709-P761 HydrophobicContact CD2-CG 4.13Å; G756-P761 WeakPolarHBondContact O-CD 3.31Å; I757-P761 WeakPolarHBondContact O-CG 3.42Å; P761-S765 VanDerWaalsContact O-CB 3.3Å; P761-S765 WeakPolarHBondContact O-CB 3.35Å; P761-S765 PolarHBondContact O-N 2.88Å
762V92.2Very high81.4Confident1 Ų134 Ų341%0.00620%0.195CC..Hα-helixtrans-64.3-47.3176.51700000110.6L388 K394 V397 V398 I758 F759 L760 S765 I766L388-V762 HydrophobicContact CD1-CG2 3.54Å; L388-V762 HydrophobicContact CD2-CG2 4Å; L388-V762 HydrophobicContact CG-CG2 3.54Å; K394-V762 HydrophobicContact CB-CG1 4.13Å; K394-V762 HydrophobicContact CG-CG1 4.1Å; V397-V762 HydrophobicContact CB-CG1 4.35Å; V397-V762 HydrophobicContact CB-CG2 4.18Å; V397-V762 HydrophobicContact CG1-CB 4.11Å; V397-V762 HydrophobicContact CG1-CG1 4.22Å; V397-V762 HydrophobicContact CG1-CG2 3.98Å; V397-V762 HydrophobicContact CG2-CG2 4.27Å; V398-V762 HydrophobicContact CG2-CG1 4.39Å; I758-V762 WeakPolarHBondContact O-CG2 3.49Å; I758-V762 PolarHBondContact O-N 3.09Å; F759-V762 PolarHBondContact O-N 3.05Å; L760-V762 VanDerWaalsContact C-N 3.3Å; L760-V762 PolarHBondContact O-N 3.12Å; V762-S765 WeakPolarHBondContact O-CB 3.49Å; V762-S765 PolarHBondContact O-N 3.1Å; V762-S765 VanDerWaalsContact O-N 3.15Å; V762-S765 PolarHBondContact O-OG 3.49Å; V762-I766 HydrophobicContact CG1-CD1 3.67Å; V762-I766 HydrophobicContact CG1-CG1 4.42Å; V762-I766 VanDerWaalsContact O-CG1 3.31Å; V762-I766 WeakPolarHBondContact O-CG1 3.41Å; V762-I766 PolarHBondContact O-N 2.62Å
763L89.4Confident79Confident26 Ų2640.2 Ų40.214%0.13622%0.218CC..Hα-helixtrans-62.6-44.6178.6-70.5172.2000112.1W644 M648 F759 L760 S765 I766 A767W644-L763 HydrophobicContact CE3-CB 4.3Å; W644-L763 HydrophobicContact CE3-CD1 4.3Å; W644-L763 HydrophobicContact CZ3-CB 4.41Å; W644-L763 HydrophobicContact CZ3-CD1 4.23Å; W644-L763 HydrophobicContact CZ3-CD2 4.23Å; M648-L763 HydrophobicContact CE-CD1 3.23Å; M648-L763 HydrophobicContact SD-CD1 3.75Å; F759-L763 WeakPolarHBondContact O-CG 3.5Å; F759-L763 PolarHBondContact O-N 2.7Å; L760-L763 PolarHBondContact O-N 2.95Å; L763-S765 VanDerWaalsContact C-N 3.27Å; L763-S765 PolarHBondContact O-N 2.92Å; L763-I766 PolarHBondContact O-N 2.71Å; L763-A767 WeakPolarHBondContact O-CB 3.31Å; L763-A767 PolarHBondContact O-N 2.79Å
764L88.6Confident76.6Confident6 Ų642.5 Ų42.53%0.03123%0.232CC..Hα-helixtrans-60.3-37.5173.8-68.7177.1000111.8W644 Y693 L760 N768W644-L764 HydrophobicContact CB-CD2 4.15Å; W644-L764 HydrophobicContact CG-CD2 4.28Å; Y693-L764 HydrophobicContact CD1-CD1 4.22Å; Y693-L764 HydrophobicContact CG-CD1 4.24Å; L760-L764 HydrophobicContact CD1-CD1 3.97Å; L760-L764 HydrophobicContact CD1-CD2 4.28Å; L760-L764 HydrophobicContact CD1-CG 3.86Å; L760-L764 HydrophobicContact CD2-CD1 4.48Å; L760-L764 HydrophobicContact CG-CD1 3.88Å; L760-L764 HydrophobicContact CG-CG 4.18Å; L760-L764 WeakPolarHBondContact O-CB 3.44Å; L760-L764 WeakPolarHBondContact O-CG 3.49Å; L760-L764 PolarHBondContact O-N 3.28Å; L764-N768 PolarHBondContact O-N 2.65Å
765S86.8Confident74.2Confident9 Ų945.4 Ų45.46%0.06324%0.244CC..Hα-helixtrans-70.3-29.1177.5860000114M389 K394 I705 P761 V762 L763 N768M389-S765 WeakPolarHBondContact SD-CB 3.41Å; K394-S765 WeakPolarHBondContact CE-OG 3.44Å; K394-S765 PolarHBondContact NZ-OG 3.43Å; I705-S765 VanDerWaalsContact CD1-CB 3.45Å; P761-S765 VanDerWaalsContact O-CB 3.3Å; P761-S765 WeakPolarHBondContact O-CB 3.35Å; P761-S765 PolarHBondContact O-N 2.88Å; V762-S765 WeakPolarHBondContact O-CB 3.49Å; V762-S765 PolarHBondContact O-N 3.1Å; V762-S765 VanDerWaalsContact O-N 3.15Å; V762-S765 PolarHBondContact O-OG 3.49Å; L763-S765 VanDerWaalsContact C-N 3.27Å; L763-S765 PolarHBondContact O-N 2.92Å; S765-N768 WeakPolarHBondContact O-CB 3.49Å
766I83Confident71.8Confident94 Ų9452.8 Ų52.848%0.48227%0.273SS..Hα-helixtrans-84.7-42.7178.7-66.7166.6000109.5K394 V398 V762 L763 N768K394-I766 HydrophobicContact CD-CG1 4.17Å; V398-I766 HydrophobicContact CG2-CD1 3.83Å; V762-I766 HydrophobicContact CG1-CD1 3.67Å; V762-I766 HydrophobicContact CG1-CG1 4.42Å; V762-I766 VanDerWaalsContact O-CG1 3.31Å; V762-I766 WeakPolarHBondContact O-CG1 3.41Å; V762-I766 PolarHBondContact O-N 2.62Å; L763-I766 PolarHBondContact O-N 2.71Å; I766-N768 PolarHBondContact O-N 2.85Å
767A76Confident69.5Low37 Ų3756.4 Ų56.431%0.30630%0.297SS..SBendtrans-67.60.6176.600000113.4W644 L763 L769W644-A767 HydrophobicContact CZ2-CB 3.76Å; L763-A767 WeakPolarHBondContact O-CB 3.31Å; L763-A767 PolarHBondContact O-N 2.79Å; A767-L769 VanDerWaalsContact C-N 3.32Å; A767-L769 PolarHBondContact O-N 2.68Å
768N60Low67.2Low54 Ų5461.7 Ų61.729%0.28932%0.322SS..  trans-56.586.9-174.4-164.930.2000112.5A701 L764 S765 I766 Q770A701-N768 HydrophobicContact CB-CB 4.07Å; A701-N768 WeakPolarHBondContact CB-ND2 3.33Å; L764-N768 PolarHBondContact O-N 2.65Å; S765-N768 WeakPolarHBondContact O-CB 3.49Å; I766-N768 PolarHBondContact O-N 2.85Å; N768-Q770 PolarHBondContact O-N 3.27Å
769L56.5Low65.1Low44 Ų4463 Ų6323%0.2333%0.333CS..  44.5-1.5108.9-80.5143.7000120.2L640 A767 A771 L772 R773L640-L769 HydrophobicContact CD1-CD2 4.12Å; A767-L769 VanDerWaalsContact C-N 3.32Å; A767-L769 PolarHBondContact O-N 2.68Å; L769-A771 VanDerWaalsContact C-N 3.26Å; L769-A771 PolarHBondContact O-N 3.09Å; L769-L772 HydrophobicContact CD2-CB 3.98Å; L769-L772 PolarHBondContact O-N 2.99Å; L769-R773 WeakPolarHBondContact O-CB 3.48Å; L769-R773 PolarHBondContact O-N 2.72Å
770Q46Very low62.8Low158 Ų15867.2 Ų67.274%0.73836%0.355SS*.Hα-helixtrans-61.9-38.5164.9-95.8179.2-25.300110.9N768 L772 T774N768-Q770 PolarHBondContact O-N 3.27Å; Q770-L772 VanDerWaalsContact C-N 3.32Å; Q770-L772 PolarHBondContact O-N 3.1Å; Q770-T774 PolarHBondContact O-N 3.47Å; Q770-T774 PolarHBondContact O-OG1 3.16Å
771A43.8Very low60.7Low77 Ų7770.3 Ų70.364%0.63638%0.377SS*.Hα-helixtrans-70.3-23.9178.100000114.1L769 T774L769-A771 VanDerWaalsContact C-N 3.26Å; L769-A771 PolarHBondContact O-N 3.09Å; A771-T774 VanDerWaalsContact C-OG1 3.29Å; A771-T774 PolarHBondContact O-OG1 3.01Å
772L45.2Very low58.8Low71 Ų7176.3 Ų76.337%0.37240%0.403SS..Hα-helixtrans-102.4-28.1-178.8-132.7106.3000113L640 L769 Q770 T774 L775 Y776L640-L772 HydrophobicContact CD1-CD1 4.3Å; L640-L772 HydrophobicContact CD1-CD2 3.99Å; L769-L772 HydrophobicContact CD2-CB 3.98Å; L769-L772 PolarHBondContact O-N 2.99Å; Q770-L772 VanDerWaalsContact C-N 3.32Å; Q770-L772 PolarHBondContact O-N 3.1Å; L772-T774 VanDerWaalsContact C-N 3.28Å; L772-L775 HydrophobicContact CG-CB 4.46Å; L772-L775 CarbonylContact O-C 3.32Å; L772-L775 WeakPolarHBondContact O-CA 3.41Å; L772-L775 PolarHBondContact O-N 2.79Å; L772-L775 VanDerWaalsContact O-N 3.08Å; L772-Y776 HydrophobicContact CD2-CD2 4.41Å; L772-Y776 WeakPolarHBondContact O-CB 3.39Å; L772-Y776 PolarHBondContact O-N 2.77Å
773R43.3Very low56.7Low129 Ų12978.8 Ų78.849%0.48742%0.424SS..Hα-helixtrans-68.5-33.1171.4-155.7-179.6-162.9-172.13.4110.1L769 C777L769-R773 WeakPolarHBondContact O-CB 3.48Å; L769-R773 PolarHBondContact O-N 2.72Å; R773-C777 WeakPolarHBondContact O-CA 3.14Å; R773-C777 WeakPolarHBondContact O-CB 3.31Å; R773-C777 PolarHBondContact O-N 2.7Å
774T44.5Very low54.6Low74 Ų7485.9 Ų85.945%0.45445%0.448SS..Hα-helixtrans-62.3-43.4164.344.80000110.9Q770 A771 L772 E778Q770-T774 PolarHBondContact O-N 3.47Å; Q770-T774 PolarHBondContact O-OG1 3.16Å; A771-T774 VanDerWaalsContact C-OG1 3.29Å; A771-T774 PolarHBondContact O-OG1 3.01Å; L772-T774 VanDerWaalsContact C-N 3.28Å; T774-E778 WeakPolarHBondContact O-CA 2.93Å; T774-E778 WeakPolarHBondContact O-CB 3.33Å; T774-E778 WeakPolarHBondContact O-CG 3.08Å; T774-E778 PolarHBondContact O-N 2.78Å
775L44.1Very low52.8Low101 Ų10188 Ų8853%0.52946%0.464SS..Hα-helixtrans-68.6-38.3-179.8-141.2122.8000114L772 T779L772-L775 HydrophobicContact CG-CB 4.46Å; L772-L775 CarbonylContact O-C 3.32Å; L772-L775 WeakPolarHBondContact O-CA 3.41Å; L772-L775 PolarHBondContact O-N 2.79Å; L772-L775 VanDerWaalsContact O-N 3.08Å; L775-T779 PolarHBondContact O-N 3.45Å; L775-T779 PolarHBondContact O-OG1 3.12Å
776Y44.9Very low51.2Low154 Ų15491 Ų9160%0.60448%0.482SS*.Hα-helixtrans-77.4-41.9177-126-91.3000110.8L772 E778 T779 L780L772-Y776 HydrophobicContact CD2-CD2 4.41Å; L772-Y776 WeakPolarHBondContact O-CB 3.39Å; L772-Y776 PolarHBondContact O-N 2.77Å; Y776-E778 VanDerWaalsContact C-N 3.29Å; Y776-E778 PolarHBondContact O-N 3.27Å; Y776-T779 VanDerWaalsContact CA-OG1 3.31Å; Y776-T779 WeakPolarHBondContact CA-OG1 3.04Å; Y776-T779 PolarHBondContact O-N 3.49Å; Y776-T779 PolarHBondContact O-OG1 3.32Å; Y776-L780 WeakPolarHBondContact O-CB 2.94Å; Y776-L780 PolarHBondContact O-N 3.47Å
777C44.8Very low49.4Very low76 Ų7694 Ų9451%0.51449%0.491SS..Hα-helixtrans-66.3-31.6169.1-81.60000111.3R773 S781R773-C777 WeakPolarHBondContact O-CA 3.14Å; R773-C777 WeakPolarHBondContact O-CB 3.31Å; R773-C777 PolarHBondContact O-N 2.7Å; C777-S781 WeakPolarHBondContact O-CA 3.4Å; C777-S781 WeakPolarHBondContact O-CB 3.45Å; C777-S781 PolarHBondContact O-N 3.29Å; C777-S781 PolarHBondContact O-OG 3.49Å
778E47Very low48Very low121 Ų12197 Ų9757%0.56550%0.499SS*.Hα-helixtrans-70.2-44.5173.8-83.6175.1-173.700110.6T774 Y776 S781 F782T774-E778 WeakPolarHBondContact O-CA 2.93Å; T774-E778 WeakPolarHBondContact O-CB 3.33Å; T774-E778 WeakPolarHBondContact O-CG 3.08Å; T774-E778 PolarHBondContact O-N 2.78Å; Y776-E778 VanDerWaalsContact C-N 3.29Å; Y776-E778 PolarHBondContact O-N 3.27Å; E778-S781 WeakPolarHBondContact CA-OG 3.39Å; E778-S781 PolarHBondContact O-OG 3.42Å; E778-F782 WeakPolarHBondContact O-CA 3.39Å; E778-F782 WeakPolarHBondContact O-CB 3.12Å; E778-F782 PolarHBondContact O-N 3.38Å
779T49.7Very low47.4Very low78 Ų78100.4 Ų100.448%0.47951%0.513SS..Hα-helixtrans-67.9-37.4175.230.30000112.3L775 Y776 A783L775-T779 PolarHBondContact O-N 3.45Å; L775-T779 PolarHBondContact O-OG1 3.12Å; Y776-T779 VanDerWaalsContact CA-OG1 3.31Å; Y776-T779 WeakPolarHBondContact CA-OG1 3.04Å; Y776-T779 PolarHBondContact O-N 3.49Å; Y776-T779 PolarHBondContact O-OG1 3.32Å; T779-A783 WeakPolarHBondContact O-CB 3.27Å; T779-A783 PolarHBondContact O-N 2.71Å
780L46.9Very low46.7Very low100 Ų100101 Ų10152%0.52452%0.521SS..Hα-helixtrans-79.1-32.9179.2-142.8117.6000112.1Y776 R784Y776-L780 WeakPolarHBondContact O-CB 2.94Å; Y776-L780 PolarHBondContact O-N 3.47Å; L780-R784 VanDerWaalsContact O-CB 3.27Å; L780-R784 WeakPolarHBondContact O-CB 3.14Å; L780-R784 PolarHBondContact O-N 3.48Å
781S48.8Very low46.2Very low66 Ų6697 Ų9746%0.46251%0.509SS..Hα-helixtrans-76.3-30.8171690000111.9C777 E778 S785C777-S781 WeakPolarHBondContact O-CA 3.4Å; C777-S781 WeakPolarHBondContact O-CB 3.45Å; C777-S781 PolarHBondContact O-N 3.29Å; C777-S781 PolarHBondContact O-OG 3.49Å; E778-S781 WeakPolarHBondContact CA-OG 3.39Å; E778-S781 PolarHBondContact O-OG 3.42Å; S781-S785 WeakPolarHBondContact O-CA 3.47Å; S781-S785 WeakPolarHBondContact O-CB 3.17Å; S781-S785 PolarHBondContact O-N 3.23Å; S781-S785 PolarHBondContact O-OG 3.07Å
782F52.7Low45.9Very low127 Ų12799.8 Ų99.856%0.55751%0.507SS*.Hα-helixtrans-69.5-44168.6-177.1-99.6000110.1E778 R784 S785 V786E778-F782 WeakPolarHBondContact O-CA 3.39Å; E778-F782 WeakPolarHBondContact O-CB 3.12Å; E778-F782 PolarHBondContact O-N 3.38Å; F782-R784 PolarHBondContact O-N 3.24Å; F782-S785 PolarHBondContact O-N 3.07Å; F782-S785 PolarHBondContact O-OG 3.29Å; F782-V786 HydrophobicContact CD1-CG2 4.07Å; F782-V786 HydrophobicContact CD2-CG2 4.45Å; F782-V786 HydrophobicContact CE1-CG2 3.78Å; F782-V786 HydrophobicContact CE2-CG2 4.18Å; F782-V786 HydrophobicContact CG-CG2 4.4Å; F782-V786 HydrophobicContact CZ-CG2 3.84Å; F782-V786 VanDerWaalsContact O-CB 3.27Å; F782-V786 WeakPolarHBondContact O-CB 3.27Å; F782-V786 WeakPolarHBondContact O-CG2 3.15Å; F782-V786 PolarHBondContact O-N 3.19Å
783A49.3Very low45.4Very low53 Ų53104.7 Ų104.744%0.43853%0.53SS..Hα-helixtrans-60.7-45.8172.900000110.8T779 V786 F787T779-A783 WeakPolarHBondContact O-CB 3.27Å; T779-A783 PolarHBondContact O-N 2.71Å; A783-V786 PolarHBondContact O-N 3.32Å; A783-F787 WeakPolarHBondContact O-CB 3.23Å; A783-F787 PolarHBondContact O-N 2.85Å
784R45.4Very low44.9Very low174 Ų174105 Ų10566%0.65754%0.535SS*.Hα-helixtrans-63.8-40.4173.4-102.7-177172.7169.2-1.9112.6L780 F782 F787 E788L780-R784 VanDerWaalsContact O-CB 3.27Å; L780-R784 WeakPolarHBondContact O-CB 3.14Å; L780-R784 PolarHBondContact O-N 3.48Å; F782-R784 PolarHBondContact O-N 3.24Å; R784-F787 CarbonylContact O-C 3.57Å; R784-F787 PolarHBondContact O-N 3.47Å; R784-E788 VanDerWaalsContact O-CB 3.23Å; R784-E788 WeakPolarHBondContact O-CB 3.38Å; R784-E788 WeakPolarHBondContact O-CG 3.33Å; R784-E788 PolarHBondContact O-N 3.46Å
785S50.4Low44.4Very low50 Ų50105 Ų10535%0.3554%0.543SS..Hα-helixtrans-73.1-32.6-179.886.80000111.5S781 F782 H789S781-S785 WeakPolarHBondContact O-CA 3.47Å; S781-S785 WeakPolarHBondContact O-CB 3.17Å; S781-S785 PolarHBondContact O-N 3.23Å; S781-S785 PolarHBondContact O-OG 3.07Å; F782-S785 PolarHBondContact O-N 3.07Å; F782-S785 PolarHBondContact O-OG 3.29Å; S785-H789 WeakPolarHBondContact O-CB 3.36Å; S785-H789 PolarHBondContact O-N 3.48Å
786V53.7Low43.7Very low74 Ų74110.4 Ų110.445%0.44856%0.562SS.*Hα-helixtrans-67.8-41.8170.2170.50000110.1F782 A783 S790F782-V786 HydrophobicContact CD1-CG2 4.07Å; F782-V786 HydrophobicContact CD2-CG2 4.45Å; F782-V786 HydrophobicContact CE1-CG2 3.78Å; F782-V786 HydrophobicContact CE2-CG2 4.18Å; F782-V786 HydrophobicContact CG-CG2 4.4Å; F782-V786 HydrophobicContact CZ-CG2 3.84Å; F782-V786 VanDerWaalsContact O-CB 3.27Å; F782-V786 WeakPolarHBondContact O-CB 3.27Å; F782-V786 WeakPolarHBondContact O-CG2 3.15Å; F782-V786 PolarHBondContact O-N 3.19Å; A783-V786 PolarHBondContact O-N 3.32Å; V786-S790 VanDerWaalsContact O-CB 3.26Å; V786-S790 WeakPolarHBondContact O-CB 3.47Å; V786-S790 PolarHBondContact O-N 3.3Å
787F44.8Very low42.9Very low156 Ų156106 Ų10668%0.68456%0.564SS**Hα-helixtrans-65.7-44.5174.7-129.7-90.6000111.6A783 R784 S790 C791A783-F787 WeakPolarHBondContact O-CB 3.23Å; A783-F787 PolarHBondContact O-N 2.85Å; R784-F787 CarbonylContact O-C 3.57Å; R784-F787 PolarHBondContact O-N 3.47Å; F787-S790 CarbonylContact O-C 3.54Å; F787-S790 WeakPolarHBondContact O-CB 3.26Å; F787-S790 PolarHBondContact O-N 3.27Å; F787-C791 WeakPolarHBondContact O-CB 3.2Å; F787-C791 PolarHBondContact O-N 2.73Å
788E47.2Very low42.1Very low100 Ų100109.9 Ų109.947%0.46758%0.578SS.*Hα-helixtrans-69.7-36.4177.4-81-173.7-17000112.1R784 S790 C791 K792R784-E788 VanDerWaalsContact O-CB 3.23Å; R784-E788 WeakPolarHBondContact O-CB 3.38Å; R784-E788 WeakPolarHBondContact O-CG 3.33Å; R784-E788 PolarHBondContact O-N 3.46Å; E788-S790 VanDerWaalsContact C-N 3.34Å; E788-C791 CarbonylContact O-C 3.43Å; E788-C791 PolarHBondContact O-N 3.5Å; E788-K792 WeakPolarHBondContact O-CB 3.24Å; E788-K792 VanDerWaalsContact O-CG 3.24Å; E788-K792 WeakPolarHBondContact O-CG 3.2Å; E788-K792 PolarHBondContact O-N 3.35Å; E788-K792 IonicContact OE2-NZ 3.83Å
789H45.8Very low40.9Very low125 Ų125113.6 Ų113.658%0.57960%0.595SS**Hα-helixtrans-67.9-37.4171.1-100.1-72.8000111.1S785 C791 M793S785-H789 WeakPolarHBondContact O-CB 3.36Å; S785-H789 PolarHBondContact O-N 3.48Å; H789-C791 VanDerWaalsContact C-N 3.28Å; H789-C791 PolarHBondContact O-N 2.88Å; H789-M793 PolarHBondContact O-N 2.7Å
790S42.7Very low39.7Very low57 Ų57119.2 Ų119.240%0.39961%0.613SS.*Hα-helixtrans-65.8-32172.7-172.10000112V786 F787 E788V786-S790 VanDerWaalsContact O-CB 3.26Å; V786-S790 WeakPolarHBondContact O-CB 3.47Å; V786-S790 PolarHBondContact O-N 3.3Å; F787-S790 CarbonylContact O-C 3.54Å; F787-S790 WeakPolarHBondContact O-CB 3.26Å; F787-S790 PolarHBondContact O-N 3.27Å; E788-S790 VanDerWaalsContact C-N 3.34Å
791C36.5Very low38.6Very low73 Ų73126 Ų12649%0.49363%0.632SS.*Hα-helixtrans-82.7-34.8175.8-820000113F787 E788 H789 M793 K794 A795F787-C791 WeakPolarHBondContact O-CB 3.2Å; F787-C791 PolarHBondContact O-N 2.73Å; E788-C791 CarbonylContact O-C 3.43Å; E788-C791 PolarHBondContact O-N 3.5Å; H789-C791 VanDerWaalsContact C-N 3.28Å; H789-C791 PolarHBondContact O-N 2.88Å; C791-M793 PolarHBondContact O-N 2.83Å; C791-K794 PolarHBondContact O-N 3.41Å; C791-A795 PolarHBondContact O-N 3.25Å
792K37.1Very low37.4Very low137 Ų137128.7 Ų128.760%0.59665%0.65SS**Hα-helixtrans-66.5-22.7176.3-81.4173.1179.5164.70112.5E788 K794E788-K792 WeakPolarHBondContact O-CB 3.24Å; E788-K792 VanDerWaalsContact O-CG 3.24Å; E788-K792 WeakPolarHBondContact O-CG 3.2Å; E788-K792 PolarHBondContact O-N 3.35Å; E788-K792 IonicContact OE2-NZ 3.83Å; K792-K794 VanDerWaalsContact C-N 3.28Å
793M34.3Very low36.1Very low173 Ų173127.1 Ų127.185%0.85266%0.661SS**THydrogen-bonded Turntrans-71.7-20168-77.9-159-178.400113.7H789 C791H789-M793 PolarHBondContact O-N 2.7Å; C791-M793 PolarHBondContact O-N 2.83Å
794K32.9Very low34.9Very low135 Ų135130.9 Ų130.959%0.58768%0.682SS**THydrogen-bonded Turntrans-104.6-8.1-178.7-84.1-165.7171.8-164.60115.3C791 K792 Q835C791-K794 PolarHBondContact O-N 3.41Å; K792-K794 VanDerWaalsContact C-N 3.28Å; K794-Q835 PolarHBondContact NZ-O 3.4Å; K794-Q835 VanDerWaalsContact NZ-O 3.14Å
795A33.8Very low33.8Very low75 Ų75128.2 Ų128.262%0.6269%0.69SS**  trans-131.183.2179.800000111C791 G797C791-A795 PolarHBondContact O-N 3.25Å; A795-G797 PolarHBondContact O-N 3.32Å
796K29.5Very low32.5Very low215 Ų215131.8 Ų131.894%0.93571%0.714SS**  trans-69.5118.8161.7-85-177.2176.1177.90108.2
797G27.4Very low31.1Very low62 Ų62133.4 Ų133.464%0.63973%0.726SS**  trans107.393.6164.600000113.4A795A795-G797 PolarHBondContact O-N 3.32Å
798I28.4Very low30.2Very low156 Ų156132.3 Ų132.380%0.873%0.733SS**  170.5118.7129.8-82.3152.1000106.9F800I798-F800 HydrophobicContact CG2-CD2 4.22Å; I798-F800 HydrophobicContact CG2-CE2 4.5Å; I798-F800 PolarHBondContact O-N 3.21Å
799Q22.2Very low29.1Very low199 Ų199136 Ų13693%0.9375%0.749SS**  trans-65.1118.9173.7-84.9166.3-55.400109.9
800F24.9Very low28Very low196 Ų196141.5 Ų141.586%0.8677%0.765SS**  trans-108.5125.4158.1-108.2-92.2000109.5I798I798-F800 HydrophobicContact CG2-CD2 4.22Å; I798-F800 HydrophobicContact CG2-CE2 4.5Å; I798-F800 PolarHBondContact O-N 3.21Å
801R22.6Very low27.2Very low244 Ų244143.7 Ų143.792%0.92178%0.78SS**  trans-61.7131.6-179.7-86.6177.2168.3177.4-3.7110.9
802S25.2Very low26.8Very low121 Ų121148.2 Ų148.285%0.84680%0.798SS**  trans-64.9126168.452.30000111.9
803A24.5Very low26.2Very low94 Ų94147 Ų14778%0.77781%0.807SS**  trans-147.780.1160.200000109.4
804C23.7Very low25.9Very low132 Ų132150.1 Ų150.189%0.89281%0.81SS**  trans-140.782.4158.4-91.40000106.9C806C804-C806 PolarHBondContact O-N 3.31Å
805S22.3Very low25.9Very low118 Ų118150 Ų15083%0.82582%0.823SS**  trans-79.59116941.30000108.6
806C23.6Very low25.7Very low125 Ų125153.2 Ų153.285%0.84583%0.828SS**  trans-90.9115.3158.9-89.30000108.3C804C804-C806 PolarHBondContact O-N 3.31Å
807P24.6Very low26.1Very low108 Ų108151.4 Ų151.470%0.70182%0.821SS**  trans-78.8149.9172.430.8-28.5000109.8
808T25.1Very low26.5Very low134 Ų134153.9 Ų153.982%0.82283%0.825SS**  trans8476.9171.3680000118.7
809H25.5Very low26.9Very low176 Ų176155.5 Ų155.582%0.81583%0.826SS**  trans-159.597.5132.3-130-95.7000110.9
810R22.7Very low27.5Very low242 Ų242153.2 Ų153.291%0.91382%0.82SS**  trans-107.7136.8159.3-102.4-176.2179.9-178.30.6106.8
811S25.1Very low27.9Very low102 Ų102147.7 Ų147.771%0.71380%0.799SS**SBendtrans71.696.3175.378.10000117.6
812L27.1Very low28.5Very low168 Ų168142 Ų14288%0.8878%0.783SS**  179.379.4128.8-93.4152.6000108.4
813S24.8Very low29.1Very low112 Ų112144.7 Ų144.778%0.78378%0.775SS**  trans-105.3107.4175.254.60000109.7
814R27.5Very low29.8Very low239 Ų239147.1 Ų147.190%0.90277%0.765SS**  trans-145.8111.9151-77.5-161.5177.2-177.5-0.5109.5
815P32.9Very low30.4Very low133 Ų133145.6 Ų145.686%0.86474%0.743SS**  trans-86.2134.4-179.732.9-29.8000110.5
816I31.1Very low30.9Very low141 Ų141147.1 Ų147.172%0.72374%0.737SS**  trans-108.7135.8173-53.2177.1000106.9
817F36.8Very low31.5Very low178 Ų178147.7 Ų147.778%0.78173%0.727SS**  trans95.478.3175.1-56.2-71.8000118.5
818P35.7Very low32.1Very low113 Ų113147 Ų14773%0.73472%0.717SS**  trans-78.7-11.6171.729-31.5000115.4
819K36.7Very low32.6Very low190 Ų190151.3 Ų151.383%0.82672%0.718SS**THydrogen-bonded Turntrans-82.2-15.4-168.6-81.8-173.4174.4-178.80116.6
820L35.1Very low32.7Very low151 Ų151154.6 Ų154.679%0.79172%0.724SS**Hα-helixtrans-80.8-22.6178.7-133.488.4000113.3
821N32.7Very low33.3Very low80 Ų80147.4 Ų147.443%0.42871%0.71SS.*Hα-helixtrans-79.5-25.3-171.2-157.55.2000113.5K825N821-K825 WeakPolarHBondContact O-CG 3.42Å; N821-K825 PolarHBondContact O-N 3.06Å
822E35.2Very low33.6Very low126 Ų126150.3 Ų150.359%0.58971%0.71SS**Hα-helixtrans-73.9-38.7177.4-81.4-64.9129.900112.1Y824 K825E822-Y824 PolarHBondContact O-N 2.91Å; E822-K825 PolarHBondContact O-N 3.14Å
823W38.2Very low33.6Very low177 Ų177147.7 Ų147.767%0.6771%0.706SS**Hα-helixtrans-65.8-40.5-179.3-171.982.8000112.3
824Y38.9Very low33.8Very low144 Ų144152.6 Ų152.657%0.56571%0.709SS**Hα-helixtrans-69.9-33.1179.9-169.3-106.2000113.2E822 Q826 H827 L828E822-Y824 PolarHBondContact O-N 2.91Å; Y824-Q826 PolarHBondContact O-N 3.47Å; Y824-H827 PolarHBondContact O-N 3.4Å; Y824-L828 HydrophobicContact CD1-CD1 4.12Å; Y824-L828 HydrophobicContact CE1-CD1 3.49Å; Y824-L828 VanDerWaalsContact CE1-CD1 3.49Å
825K36.7Very low33.9Very low101 Ų101149.2 Ų149.244%0.43970%0.703SS.*Hα-helixtrans-70.5-27.2-179.9-78.3177.8-175.21740113.9N821 E822N821-K825 WeakPolarHBondContact O-CG 3.42Å; N821-K825 PolarHBondContact O-N 3.06Å; E822-K825 PolarHBondContact O-N 3.14Å
826Q32.9Very low33.6Very low149 Ų149150.8 Ų150.870%0.69670%0.699SS**Hα-helixtrans-70.7-30.6178.3-84.5-175.8-1500112.9Y824Y824-Q826 PolarHBondContact O-N 3.47Å
827H36.3Very low33.5Very low137 Ų137151.6 Ų151.663%0.63470%0.704SS**Hα-helixtrans-79-25-176-84.165.3000114.1Y824Y824-H827 PolarHBondContact O-N 3.4Å
828L37.6Very low33.1Very low95 Ų95152.2 Ų152.250%0.49771%0.71SS.*G310 helixtrans-88-8.3-175.2-88.9154.4000115.3Y824 R830Y824-L828 HydrophobicContact CD1-CD1 4.12Å; Y824-L828 HydrophobicContact CE1-CD1 3.49Å; Y824-L828 VanDerWaalsContact CE1-CD1 3.49Å; L828-R830 VanDerWaalsContact C-N 3.32Å; L828-R830 PolarHBondContact O-N 3.41Å
829R34.1Very low32.8Very low224 Ų224156 Ų15685%0.84572%0.718SS**G310 helixtrans-78.5-7.8-178.2-77.6-172.5-178.3-179.81.9115
830R29.4Very low32.5Very low245 Ų245155 Ų15593%0.92572%0.721SS**G310 helixtrans-93.9-9.7-176-90.2-176.7171174.5-2.6116.5L828L828-R830 VanDerWaalsContact C-N 3.32Å; L828-R830 PolarHBondContact O-N 3.41Å
831S33.8Very low32Very low90 Ų90151.3 Ų151.363%0.62972%0.72SS**SBendtrans-115.517.9-165.476.70000119.2
832K31Very low31.7Very low164 Ų164157.2 Ų157.271%0.71374%0.742SS**  trans-133.240.2-175.8-76.1-171.2177177.90117.5
833S29.1Very low31.7Very low113 Ų113156.9 Ų156.979%0.7975%0.751SS**SBendtrans-92.88170.1101.10000115.6
834Y27.3Very low31Very low215 Ų215154.9 Ų154.984%0.84376%0.758SS**SBendtrans-135102.6180-104.5-96.7000109.3
835Q29.9Very low30.2Very low168 Ų168154.6 Ų154.679%0.78577%0.771SS**  trans160.972.1159.1-93.7176.2-6.600109.3K794K794-Q835 PolarHBondContact NZ-O 3.4Å; K794-Q835 VanDerWaalsContact NZ-O 3.14Å
836H27.5Very low29.6Very low166 Ų166159.5 Ų159.577%0.76979%0.792SS**  trans-131.73.6170.7-138.2-59.6000115.4
837D29.5Very low29Very low158 Ų158157.5 Ų157.585%0.84580%0.795SS**  trans-117.8141.6175.3-76.3-38.1000111.4
838Q27.7Very low28.4Very low191 Ų191158.6 Ų158.689%0.89380%0.804SS**  trans95.658.8178.1-56.6-173.7-18.500117.2
839Q28.5Very low27.8Very low192 Ų192162.2 Ų162.290%0.89782%0.818SS**  trans-99.492.6139.2-80.7179.8-28.300107.9
840N30.5Very low27.4Very low168 Ų168156.4 Ų156.490%0.89881%0.812SS**  trans-162.6125.8159.2-95.8-21.6000109.7
841G25.3Very low27.2Very low74 Ų74153 Ų15376%0.76381%0.811SS**  trans-76.5153.7-167.500000116
842K26.3Very low26.9Very low205 Ų205153.4 Ų153.489%0.89181%0.812SS**  trans-171.9144.6142.2-101.5172.1-173.2-175.40108.4
843P35Very low26.7Very low119 Ų119152.8 Ų152.877%0.77382%0.816SS**  trans-98.9131.5-174.335-26.8000111.4
844T23.2Very low26.6Very low134 Ų134152.9 Ų152.982%0.82281%0.812SS**  trans-165.4118.1158.729.20000111.5
845V23.1Very low26.5Very low138 Ų138153.1 Ų153.184%0.83681%0.813SS**  trans33.6126.1130.9-169.20000119
846F23.2Very low26.4Very low204 Ų204160.4 Ų160.490%0.89583%0.833SS**  trans-42.3130167.2-77-98.2000114.2
847S21.2Very low26.3Very low107 Ų107160.1 Ų160.175%0.74884%0.836SS**  trans-155.1132.9139.5-167.30000110.5
848I24Very low26.2Very low160 Ų160160.2 Ų160.282%0.82184%0.836SS**  trans-86.6114.9171.9-67.3164.3000105.6
849E24.5Very low26.1Very low172 Ų172158.5 Ų158.580%0.80483%0.832SS**  trans-154.4120.4159-118.1167.5-156.400112.9
850S26.3Very low25.9Very low101 Ų101156.5 Ų156.571%0.70683%0.829SS**  trans71.8103.6146.865.90000119.8
851L24.7Very low25.7Very low173 Ų173155.8 Ų155.891%0.90682%0.824SS**  trans-53.3138132.9-82.889.2000109.4
852P27.4Very low25.7Very low100 Ų100161.3 Ų161.365%0.64983%0.828SS**  -140.4140.8116.334-19.8000113.3
853N26.9Very low25.6Very low150 Ų150158.1 Ų158.180%0.80282%0.824SS**  trans56.5131.5136.7-67.4-14.8000118.6
854V26.8Very low24.9Very low115 Ų115161.2 Ų161.270%0.69783%0.828SS**  cis-178.2150.329.6119.90000108.5R856V854-R856 PolarHBondContact O-N 2.91Å
855Y24Very low25.1Very low221 Ų221163.4 Ų163.487%0.86783%0.828SS**  trans-7.4112.4148.8-84.8-101.2000116.8
856R28.4Very low25.2Very low320 Ų320165.7 Ų165.7100%1.20883%0.827SS**  -146.70130-96.7-172.3-172.71763.1106.7V854V854-R856 PolarHBondContact O-N 2.91Å

Retrieved 856 of 856 residues in 371.6 ms (Link to these results)

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