A0A023I8J4_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023I8J4, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 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
1M55.2Low72.8Confident202 Ų20298.7 Ų98.7100%0.99554%0.535SS*.  0-34.90-72.3174.9104.800112.8E3 N4M1-E3 PolarHBondContact O-N 3.43Å; M1-N4 PolarHBondContact O-N 3.01Å
2N51.3Low73.6Confident145 Ų14593.9 Ų93.978%0.77551%0.513SS*.Hα-helixtrans-58.9-38.7-178.7-86.119.5000115.4
3E59.7Low74.6Confident155 Ų15592 Ų9272%0.72452%0.517SS*.Hα-helixtrans-77.2-24.5-177.7-66.5-100.9142.100113.2M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.43Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.37Å; E3-F6 PolarHBondContact O-N 3.34Å; E3-A7 PolarHBondContact O-N 3.29Å; E3-A7 VanDerWaalsContact O-N 3.13Å
4N73.5Confident75.3Confident115 Ų11593.4 Ų93.462%0.61552%0.521SS*.Hα-helixtrans-70.6-29.5-172.7-66.88.1000112.4M1M1-N4 PolarHBondContact O-N 3.01Å
5L74.4Confident75.9Confident45 Ų4598.9 Ų98.924%0.23655%0.548CS..Hα-helixtrans-69.3-35.5178.4-67.8176.8000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.37Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.08Å; L5-L173 HydrophobicContact CD1-CD2 4.09Å; L5-L173 HydrophobicContact CD2-CD2 4.33Å
6F80.8Confident76.4Confident116 Ų11697.3 Ų97.351%0.50956%0.561SS.*Hα-helixtrans-92.6-10.2-176.9-66.9-75.6000113.6E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.34Å; F6-S8 PolarHBondContact O-N 2.94Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 HydrophobicContact CD1-CD2 4.01Å; F6-F9 HydrophobicContact CD1-CE2 4.4Å; F6-F9 PolarHBondContact O-N 3.38Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.07Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å
7A78.6Confident76.8Confident55 Ų5599.1 Ų99.146%0.45557%0.568SS.*G310 helixtrans-54.3-33.3179.600000113.1E3 F9 I10E3-A7 PolarHBondContact O-N 3.29Å; E3-A7 VanDerWaalsContact O-N 3.13Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.38Å; A7-I10 PolarHBondContact O-N 3.48Å
8S78.9Confident77.3Confident61 Ų6198.4 Ų98.443%0.42757%0.567SS.*G310 helixtrans-69.3-19.3177590000114.3F6 F92F6-S8 PolarHBondContact O-N 2.94Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 3.41Å
9F81.6Confident77.7Confident23 Ų2394.2 Ų94.210%0.10155%0.545CS..G310 helixtrans-94.5-10178.6-58.7-70.1000112.8F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CD1-CD2 4.01Å; F6-F9 HydrophobicContact CD1-CE2 4.4Å; F6-F9 PolarHBondContact O-N 3.38Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.38Å; F9-A11 PolarHBondContact O-N 2.94Å; F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; F9-Q97 PolarHBondContact O-NE2 2.89Å; F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; F9-L169 HydrophobicContact CE2-CD1 4.43Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.91Å
10I84.2Confident78.1Confident110 Ų11090.5 Ų90.556%0.56453%0.526SS*.SBendtrans-69.2129.6178.1-58.9175.1000108.4A7 P12A7-I10 PolarHBondContact O-N 3.48Å; I10-P12 WeakPolarHBondContact O-CD 3.4Å
11A82.5Confident78.4Confident59 Ų5990.1 Ų90.149%0.48853%0.525SS..PPolyproline II helixtrans-59.1120.9179.600000110F9 A13 F92F9-A11 PolarHBondContact O-N 2.94Å; A11-A13 PolarHBondContact O-N 2.96Å; A11-F92 HydrophobicContact CB-CZ 4.48Å
12P82.7Confident79.9Confident41 Ų4186.5 Ų86.527%0.26651%0.509SS..PPolyproline II helixtrans-71.4127.4-174.826.9-33.1000110.1I10 A19 A20 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-A19 HydrophobicContact CB-CB 4.27Å; P12-A19 HydrophobicContact CG-CB 4.39Å; P12-A19 WeakPolarHBondContact O-CB 3.36Å; P12-A19 PolarHBondContact O-N 2.86Å; P12-A20 PolarHBondContact O-N 3.32Å; P12-I23 HydrophobicContact CG-CD1 3.63Å; P12-F92 HydrophobicContact CG-CB 4.37Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.09Å
13A85.9Confident81.6Confident69 Ų6982 Ų8257%0.5749%0.485SS*.EExtended strand (participates in β ladder)trans-12112217000000108.9A11 L17A11-A13 PolarHBondContact O-N 2.96Å; A13-L17 CarbonylContact C-O 3.54Å; A13-L17 VanDerWaalsContact CA-O 3.24Å; A13-L17 WeakPolarHBondContact CA-O 3.44Å
14I85.6Confident83Confident112 Ų11277.1 Ų77.157%0.57446%0.463SS*.EExtended strand (participates in β ladder)trans-105.8123.7176.2-61171.1000106.5G16 L17 A19I14-G16 PolarHBondContact O-N 3.13Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 3Å; I14-L17 PolarHBondContact O-N 3.19Å; I14-A19 HydrophobicContact CD1-CB 3.94Å; I14-A19 HydrophobicContact CG1-CB 3.98Å
15L83.8Confident83.7Confident175 Ų17577.3 Ų77.392%0.91646%0.463SS*.THydrogen-bonded Turntrans54.931.7178.8-70.6152.3000113.8L17L15-L17 VanDerWaalsContact C-N 3.25Å; L15-L17 PolarHBondContact O-N 3.48Å
16G83Confident84.4Confident74 Ų7479.4 Ų79.476%0.76347%0.471SS*.THydrogen-bonded Turntrans79.5-2.2-177.800000115.1I14I14-G16 PolarHBondContact O-N 3.13Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L84Confident84.7Confident128 Ų12874.1 Ų74.167%0.6745%0.448SS*.EExtended strand (participates in β ladder)trans-92.5137.7172.1-67.3169.4000110.7A13 I14 L15 A19A13-L17 CarbonylContact C-O 3.54Å; A13-L17 VanDerWaalsContact CA-O 3.24Å; A13-L17 WeakPolarHBondContact CA-O 3.44Å; I14-L17 PolarHBondContact N-O 3Å; I14-L17 PolarHBondContact O-N 3.19Å; L15-L17 VanDerWaalsContact C-N 3.25Å; L15-L17 PolarHBondContact O-N 3.48Å; L17-A19 PolarHBondContact O-N 3.07Å
18P84.9Confident85.1Confident86 Ų8674.8 Ų74.856%0.55845%0.448SS*.EExtended strand (participates in β ladder)trans-70.5100.6178.428.8-33.4000110.4A20 V21P18-A20 PolarHBondContact O-N 3.29Å; P18-V21 HydrophobicContact CG-CG2 4.26Å; P18-V21 PolarHBondContact O-N 3.47Å
19A85.4Confident85.5Confident19 Ų1978.3 Ų78.316%0.15746%0.461CS..THydrogen-bonded Turntrans-68.1-17.1177.800000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.27Å; P12-A19 HydrophobicContact CG-CB 4.39Å; P12-A19 WeakPolarHBondContact O-CB 3.36Å; P12-A19 PolarHBondContact O-N 2.86Å; I14-A19 HydrophobicContact CD1-CB 3.94Å; I14-A19 HydrophobicContact CG1-CB 3.98Å; L17-A19 PolarHBondContact O-N 3.07Å; A19-V21 PolarHBondContact O-N 2.93Å; A19-V21 VanDerWaalsContact O-N 3.17Å; A19-L22 PolarHBondContact O-N 2.97Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 3.28Å
20A85.6Confident85.8Confident20 Ų2081 Ų8117%0.16548%0.476CS..Hα-helixtrans-52.9-33.3173.100000113.3P12 P18 L22 I23 I24 F92P12-A20 PolarHBondContact O-N 3.32Å; P18-A20 PolarHBondContact O-N 3.29Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.31Å; A20-I23 PolarHBondContact O-N 3.45Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 2.93Å; A20-I24 PolarHBondContact O-N 3.12Å; A20-F92 HydrophobicContact CB-CE1 4.39Å
21V85.4Confident86Confident82 Ų8278.3 Ų78.350%0.49746%0.462SS..Hα-helixtrans-63.5-42178.7179.80000111.3P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.26Å; P18-V21 PolarHBondContact O-N 3.47Å; A19-V21 PolarHBondContact O-N 2.93Å; A19-V21 VanDerWaalsContact O-N 3.17Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.47Å; V21-I24 PolarHBondContact O-N 3.45Å; V21-L25 HydrophobicContact CG1-CD1 4.16Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 3Å; V21-L25 VanDerWaalsContact O-N 3.1Å
22L86.2Confident86.2Confident127 Ų12778.3 Ų78.367%0.66546%0.457SS*.Hα-helixtrans-65.9-38.8179-163.8152.2000110.8A19 A20 L25 F26A19-L22 PolarHBondContact O-N 2.97Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.31Å; L22-L25 PolarHBondContact O-N 3.01Å; L22-F26 PolarHBondContact O-N 3.45Å
23I87.7Confident86.4Confident51 Ų5182.8 Ų82.826%0.26248%0.484SS..Hα-helixtrans-65.5-41.4177.2-59.1170.9000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.63Å; A19-I23 PolarHBondContact O-N 3.28Å; A20-I23 PolarHBondContact O-N 3.45Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.47Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.21Å; I23-F26 WeakPolarHBondContact O-CB 3.43Å; I23-F26 PolarHBondContact O-N 2.91Å; I23-P27 VanDerWaalsContact O-CD 3.31Å; I23-P27 WeakPolarHBondContact O-CD 3.31Å; I23-F92 HydrophobicContact CD1-CB 4.02Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.45Å; I23-F92 WeakPolarHBondContact CG2-O 3.3Å
24I88.3Confident86.5Confident52 Ų5281.3 Ų81.327%0.26747%0.469SS..Hα-helixtrans-65.4-31.8176.8-68.3163.6000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 2.93Å; A20-I24 PolarHBondContact O-N 3.12Å; V21-I24 PolarHBondContact O-N 3.45Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.43Å; I24-F78 HydrophobicContact CG2-CZ 4.35Å; I24-P94 HydrophobicContact CD1-CB 4.32Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.08Å; I24-M100 HydrophobicContact CG2-CE 4.45Å
25L87.8Confident86.5Confident118 Ų11886.3 Ų86.362%0.61849%0.487SS*.Hα-helixtrans-81.4-10.9178-71.7171.3000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.16Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 3Å; V21-L25 VanDerWaalsContact O-N 3.1Å; L22-L25 PolarHBondContact O-N 3.01Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.21Å; L25-P28 WeakPolarHBondContact O-CD 3.45Å
26F88.8Confident86.7Confident90 Ų9086.7 Ų86.740%0.39548%0.477SS..Hα-helixtrans-69.4-44.3-177.4-168.2-99.2000115L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.45Å; I23-F26 WeakPolarHBondContact O-CB 3.43Å; I23-F26 PolarHBondContact O-N 2.91Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.45Å; F26-L29 PolarHBondContact O-N 3.3Å; F26-L30 HydrophobicContact CE1-CD1 4.29Å; F26-L30 HydrophobicContact CE1-CD2 4.2Å; F26-L30 HydrophobicContact CE1-CG 4.31Å; F26-L30 HydrophobicContact CZ-CD2 4.5Å; F26-L85 HydrophobicContact CD1-CD1 4.19Å; F26-L85 HydrophobicContact CD1-CD2 3.68Å; F26-L85 HydrophobicContact CE1-CD2 3.61Å
27P88.8Confident86.5Confident4 Ų491.6 Ų91.63%0.02649%0.485CS..Hα-helixtrans-57.3-42.3-178.3-11.716.3000115.1I23 I24 L29 L30 T81 T82 L85I23-P27 VanDerWaalsContact O-CD 3.31Å; I23-P27 WeakPolarHBondContact O-CD 3.31Å; I24-P27 WeakPolarHBondContact O-CD 3.43Å; P27-L29 PolarHBondContact O-N 3.27Å; P27-L30 WeakPolarHBondContact O-CB 3.24Å; P27-L30 PolarHBondContact O-N 3.4Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P27-T81 WeakPolarHBondContact CB-OG1 3.45Å; P27-T82 HydrophobicContact CB-CG2 4.23Å; P27-T82 HydrophobicContact CG-CG2 3.46Å; P27-T82 VanDerWaalsContact CG-CG2 3.46Å; P27-L85 HydrophobicContact CB-CD1 3.87Å; P27-L85 HydrophobicContact CG-CD1 3.96Å
28P85.3Confident86.7Confident70 Ų7093 Ų9346%0.45549%0.492SS..Hα-helixtrans-56.1-32.2174.2-27.533.9000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.45Å; P28-L30 PolarHBondContact O-N 3.15Å; P28-I31 PolarHBondContact O-N 3.46Å
29L88.3Confident86.9Confident135 Ų13590 Ų9071%0.70747%0.471SS*.Hα-helixtrans-67.4-24.9179.3-171.565.6000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.45Å; F26-L29 PolarHBondContact O-N 3.3Å; P27-L29 PolarHBondContact O-N 3.27Å; L29-I31 PolarHBondContact O-N 3.07Å
30L87.6Confident87.1Confident79 Ų7994.6 Ų94.641%0.41449%0.493SS..THydrogen-bonded Turntrans-74.4-6.3177.8-63.5177.2000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CE1-CD1 4.29Å; F26-L30 HydrophobicContact CE1-CD2 4.2Å; F26-L30 HydrophobicContact CE1-CG 4.31Å; F26-L30 HydrophobicContact CZ-CD2 4.5Å; P27-L30 WeakPolarHBondContact O-CB 3.24Å; P27-L30 PolarHBondContact O-N 3.4Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P28-L30 PolarHBondContact O-N 3.15Å; L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.27Å; L30-Q46 PolarHBondContact O-NE2 3.25Å; L30-Q46 VanDerWaalsContact O-NE2 3.14Å; L30-L85 HydrophobicContact CD1-CD1 3.53Å; L30-L85 HydrophobicContact CD1-CD2 4.08Å; L30-L85 HydrophobicContact CD1-CG 4.01Å
31I88.4Confident87.3Confident54 Ų54103.7 Ų103.728%0.27752%0.523SS..SBendtrans-11080.6-177.6-53.3162.9000108.6P28 L29 I77P28-I31 PolarHBondContact O-N 3.46Å; L29-I31 PolarHBondContact O-N 3.07Å; I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å
32P87.4Confident87.6Confident58 Ų58103.9 Ų103.938%0.37752%0.521SS..  trans-69.4136.1179.128-34.2000111.1L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.27Å; P32-L42 HydrophobicContact CG-CD2 3.5Å; P32-L42 VanDerWaalsContact CG-CD2 3.5Å; P32-I43 HydrophobicContact CB-CD1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.45Å; P32-I43 HydrophobicContact CG-CG1 4.04Å
33T86.8Confident87.9Confident135 Ų13598.8 Ų98.883%0.82849%0.494SS*.  trans-100135.1171.459.60000110.4
34S87.3Confident88.1Confident38 Ų3899.3 Ų99.327%0.26650%0.5SS..  trans-114.6145.2171.3169.60000110.9Y36 N39S34-Y36 PolarHBondContact OG-N 3.13Å; S34-Y36 VanDerWaalsContact OG-N 3.1Å; S34-N39 WeakPolarHBondContact CB-OD1 3.46Å; S34-N39 PolarHBondContact OG-OD1 3.32Å
35K85.9Confident88.2Confident218 Ų218101 Ų10195%0.94851%0.512SS*.  trans-86.8-13.2174.4-63.3-178.7-179178.40113
36Y87Confident88.4Confident182 Ų18297.4 Ų97.471%0.71449%0.493SS*.SBendtrans-80.2153.7-175.5-61-75000112S34 N39S34-Y36 PolarHBondContact OG-N 3.13Å; S34-Y36 VanDerWaalsContact OG-N 3.1Å; Y36-N39 PolarHBondContact O-ND2 3.42Å; Y36-N39 PolarHBondContact O-OD1 3.43Å
37L79.7Confident88.5Confident178 Ų17897.8 Ų97.893%0.93250%0.496SS*.SBendtrans-71.2-41.4176.3-173.174.8000111.4
38I87.2Confident88.7Confident156 Ų156105.7 Ų105.780%0.853%0.525SS*.SBendtrans-100.1112.5174.7-58.8171.2000107.2
39N90.1Very high88.9Confident24 Ų24107 Ų10713%0.12853%0.528CS..  trans-105.3168.4-174.4-72.1-26.5000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.46Å; S34-N39 PolarHBondContact OG-OD1 3.32Å; Y36-N39 PolarHBondContact O-ND2 3.42Å; Y36-N39 PolarHBondContact O-OD1 3.43Å; N39-I43 HydrophobicContact CB-CB 3.91Å; N39-I43 HydrophobicContact CB-CG2 3.77Å; N39-T44 HydrophobicContact CB-CG2 4.1Å; N39-Q47 PolarHBondContact ND2-NE2 3.04Å
40N90.4Very high89.1Confident115 Ų115103.3 Ų103.362%0.61551%0.508SS*.  trans-63.6153.6171.6-165.3-0.8000111L42 I43 T44N40-L42 PolarHBondContact O-N 2.81Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 PolarHBondContact O-N 3.37Å; N40-T44 PolarHBondContact O-N 2.88Å
41R89.9Confident89.3Confident212 Ų212106.8 Ų106.880%0.852%0.52SS*.Hα-helixtrans-51.8-37.9-178.3-64.7-177.5-179179.90.3113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.25Å; R41-T44 PolarHBondContact O-OG1 3.42Å; R41-T45 WeakPolarHBondContact O-CG2 3.35Å; R41-T45 PolarHBondContact O-N 3.32Å; R41-T45 VanDerWaalsContact O-N 3.08Å; R41-T45 PolarHBondContact O-OG1 3.01Å
42L90.4Very high89.5Confident85 Ų85107.4 Ų107.445%0.44552%0.524SS..Hα-helixtrans-66.5-41.3178-177.9152.2000111.9P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.5Å; P32-L42 VanDerWaalsContact CG-CD2 3.5Å; N40-L42 PolarHBondContact O-N 2.81Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 2.87Å; L42-Q46 VanDerWaalsContact CD2-CD 3.46Å; L42-Q46 HydrophobicContact CD2-CG 4.32Å; L42-Q46 WeakPolarHBondContact O-CB 3.22Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.35Å; L42-Q46 PolarHBondContact O-N 2.96Å
43I91.9Very high89.5Confident20 Ų20105.9 Ų105.910%0.10351%0.513CS..Hα-helixtrans-71.9-36.6179.9-61174.8000109.9P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.45Å; P32-I43 HydrophobicContact CG-CG1 4.04Å; N39-I43 HydrophobicContact CB-CB 3.91Å; N39-I43 HydrophobicContact CB-CG2 3.77Å; N40-I43 PolarHBondContact O-N 3.37Å; I43-Q46 PolarHBondContact O-N 3.17Å; I43-Q47 HydrophobicContact CG2-CG 4.28Å; I43-Q47 WeakPolarHBondContact O-CB 3.21Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.32Å; I43-Q47 PolarHBondContact O-N 3.32Å
44T91.9Very high89.7Confident63 Ų63100.8 Ų100.839%0.38748%0.483SS..Hα-helixtrans-67.3-40.2177.259.30000112.1N39 N40 R41 W48N39-T44 HydrophobicContact CB-CG2 4.1Å; N40-T44 PolarHBondContact O-N 2.88Å; R41-T44 WeakPolarHBondContact CA-OG1 3.25Å; R41-T44 PolarHBondContact O-OG1 3.42Å; T44-W48 WeakPolarHBondContact O-CB 3.43Å; T44-W48 PolarHBondContact O-N 3.27Å
45T91.4Very high89.8Confident86 Ų86106.7 Ų106.753%0.52850%0.504SS..Hα-helixtrans-67.1-40.3174.456.80000111.9R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.35Å; R41-T45 PolarHBondContact O-N 3.32Å; R41-T45 VanDerWaalsContact O-N 3.08Å; R41-T45 PolarHBondContact O-OG1 3.01Å; L42-T45 PolarHBondContact O-OG1 2.87Å; T45-W48 PolarHBondContact O-N 2.85Å; T45-L49 WeakPolarHBondContact O-CB 3.49Å; T45-L49 PolarHBondContact O-N 3.2Å
46Q91.3Very high89.8Confident44 Ų44102.3 Ų102.321%0.20649%0.487CS..Hα-helixtrans-60.6-49.4173.7-76.3177.1-15.200111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.25Å; L30-Q46 VanDerWaalsContact O-NE2 3.14Å; L42-Q46 VanDerWaalsContact CD2-CD 3.46Å; L42-Q46 HydrophobicContact CD2-CG 4.32Å; L42-Q46 WeakPolarHBondContact O-CB 3.22Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.35Å; L42-Q46 PolarHBondContact O-N 2.96Å; I43-Q46 PolarHBondContact O-N 3.17Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.39Å; Q46-L49 PolarHBondContact O-N 3.45Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.35Å; Q46-I50 PolarHBondContact O-N 2.92Å
47Q90.9Very high89.7Confident98 Ų9894.3 Ų94.346%0.45846%0.456SS..Hα-helixtrans-60.9-38.6177.6-74.7176.1-1400112.1N39 I43 K51N39-Q47 PolarHBondContact ND2-NE2 3.04Å; I43-Q47 HydrophobicContact CG2-CG 4.28Å; I43-Q47 WeakPolarHBondContact O-CB 3.21Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.32Å; I43-Q47 PolarHBondContact O-N 3.32Å; Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3.3Å; Q47-K51 PolarHBondContact O-N 3.02Å
48W92.8Very high89.9Confident169 Ų16986.8 Ų86.864%0.6442%0.416SS*.Hα-helixtrans-64.1-44.2175.4-175.281.1000111.9T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.43Å; T44-W48 PolarHBondContact O-N 3.27Å; T45-W48 PolarHBondContact O-N 2.85Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.39Å; W48-K51 PolarHBondContact O-N 3.34Å; W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.34Å; W48-L52 HydrophobicContact CE3-CD1 3.66Å; W48-L52 HydrophobicContact CH2-CD1 3.39Å; W48-L52 HydrophobicContact CZ2-CD1 3.44Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.44Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.5Å; W48-L52 VanDerWaalsContact CZ3-CD1 3.5Å; W48-L52 WeakPolarHBondContact O-CG 3.32Å; W48-L52 PolarHBondContact O-N 3.16Å
49L91.3Very high89.8Confident97 Ų9783 Ų8351%0.50841%0.409SS..Hα-helixtrans-64.1-42.7177.4-167.3145.2000112.1T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.49Å; T45-L49 PolarHBondContact O-N 3.2Å; Q46-L49 PolarHBondContact O-N 3.45Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.15Å; L49-L52 PolarHBondContact O-N 3.41Å; L49-T53 HydrophobicContact CD2-CG2 4.17Å; L49-T53 WeakPolarHBondContact O-CG2 3.4Å; L49-T53 PolarHBondContact O-N 2.94Å; L49-T53 PolarHBondContact O-OG1 3.16Å
50I91.9Very high89.2Confident58 Ų5888.1 Ų88.130%0.29743%0.433SS..Hα-helixtrans-61.9-41.9174.9-66.9170.2000111Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.35Å; Q46-I50 PolarHBondContact O-N 2.92Å; I50-T53 WeakPolarHBondContact CA-OG1 3.41Å; I50-T53 PolarHBondContact O-OG1 2.75Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.36Å; I50-S54 PolarHBondContact O-N 3.42Å; I50-S54 PolarHBondContact O-OG 2.97Å; I50-V73 HydrophobicContact CG2-CG1 3.89Å; I50-I77 HydrophobicContact CD1-CD1 4.06Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å
51K91.6Very high88.8Confident153 Ų15383 Ų8367%0.66541%0.405SS*.Hα-helixtrans-65.8-40.1178.3-174.2176.5-179.8178.50112.3Q47 W48 L49 S54 K55Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3.3Å; Q47-K51 PolarHBondContact O-N 3.02Å; W48-K51 PolarHBondContact O-N 3.34Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.15Å; K51-S54 WeakPolarHBondContact CA-OG 3.41Å; K51-S54 PolarHBondContact O-OG 2.84Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; K51-K55 VanDerWaalsContact O-CB 3.26Å; K51-K55 WeakPolarHBondContact O-CB 3.34Å; K51-K55 PolarHBondContact O-N 3.31Å; K51-K55 VanDerWaalsContact O-N 3.08Å
52L91.8Very high88.4Confident67 Ų6778 Ų7835%0.35140%0.395SS..Hα-helixtrans-67.8-50178.3-74.3177.5000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.34Å; W48-L52 HydrophobicContact CE3-CD1 3.66Å; W48-L52 HydrophobicContact CH2-CD1 3.39Å; W48-L52 HydrophobicContact CZ2-CD1 3.44Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.44Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.5Å; W48-L52 VanDerWaalsContact CZ3-CD1 3.5Å; W48-L52 WeakPolarHBondContact O-CG 3.32Å; W48-L52 PolarHBondContact O-N 3.16Å; L49-L52 PolarHBondContact O-N 3.41Å; L52-K55 PolarHBondContact O-N 3.28Å; L52-Q56 WeakPolarHBondContact O-CG 3.31Å; L52-Q56 PolarHBondContact O-N 3.33Å
53T89Confident87.9Confident25 Ų2579.5 Ų79.515%0.15341%0.408CS..Hα-helixtrans-60.7-47.3-179.849.10000111.4L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.17Å; L49-T53 WeakPolarHBondContact O-CG2 3.4Å; L49-T53 PolarHBondContact O-N 2.94Å; L49-T53 PolarHBondContact O-OG1 3.16Å; I50-T53 WeakPolarHBondContact CA-OG1 3.41Å; I50-T53 PolarHBondContact O-OG1 2.75Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 3.1Å; T53-Q56 PolarHBondContact O-N 2.97Å; T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 3.34Å
54S89.4Confident87.2Confident28 Ų2884.2 Ų84.220%0.19643%0.428CS..Hα-helixtrans-61.2-41.9175.8580000112.7I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.36Å; I50-S54 PolarHBondContact O-N 3.42Å; I50-S54 PolarHBondContact O-OG 2.97Å; K51-S54 WeakPolarHBondContact CA-OG 3.41Å; K51-S54 PolarHBondContact O-OG 2.84Å; K51-S54 VanDerWaalsContact O-OG 3.07Å; S54-Q56 PolarHBondContact O-N 3.29Å; S54-M58 WeakPolarHBondContact O-CB 3.42Å; S54-M58 WeakPolarHBondContact O-CG 3.21Å; S54-M58 PolarHBondContact O-N 3.08Å
55K89.3Confident86.6Confident162 Ų16281.2 Ų81.270%0.70441%0.409SS*.Hα-helixtrans-62.5-43.7177.7-174.2-179.2178.7-174.30111.9K51 L52 T53 A59K51-K55 VanDerWaalsContact O-CB 3.26Å; K51-K55 WeakPolarHBondContact O-CB 3.34Å; K51-K55 PolarHBondContact O-N 3.31Å; K51-K55 VanDerWaalsContact O-N 3.08Å; L52-K55 PolarHBondContact O-N 3.28Å; T53-K55 PolarHBondContact O-N 3.1Å; K55-A59 PolarHBondContact O-N 2.93Å
56Q86.6Confident86.2Confident127 Ų12783.7 Ų83.759%0.59341%0.409SS*.Hα-helixtrans-67.9-47.6-179.5-73.7179.2-20.400111.9L52 T53 S54 A59L52-Q56 WeakPolarHBondContact O-CG 3.31Å; L52-Q56 PolarHBondContact O-N 3.33Å; T53-Q56 PolarHBondContact O-N 2.97Å; S54-Q56 PolarHBondContact O-N 3.29Å; Q56-A59 PolarHBondContact O-N 2.89Å
57M84.4Confident86Confident14 Ų1486.5 Ų86.57%0.06943%0.429CS..Hα-helixtrans-65.6-41.6179.7-70.5-177.1164.700112.4T53 A59 H61 L72 I76 T215T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 3.34Å; M57-A59 VanDerWaalsContact C-N 3.29Å; M57-A59 PolarHBondContact O-N 3.34Å; M57-H61 PolarHBondContact O-CE1 3.1Å; M57-H61 PolarHBondContact O-ND1 3.01Å; M57-L72 HydrophobicContact SD-CB 4.41Å; M57-I76 HydrophobicContact CE-CB 4.38Å; M57-I76 HydrophobicContact CE-CD1 3.62Å; M57-T215 WeakPolarHBondContact CE-OG1 3.29Å
58M85.6Confident85.8Confident19 Ų1984.3 Ų84.39%0.09442%0.417CS..Hα-helixtrans-77.6-12.9-176-64.7-59.6115.300113.9S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.42Å; S54-M58 WeakPolarHBondContact O-CG 3.21Å; S54-M58 PolarHBondContact O-N 3.08Å; M58-M60 PolarHBondContact O-N 3.48Å; M58-H61 PolarHBondContact O-N 2.64Å; M58-R66 HydrophobicContact SD-CB 4.35Å; M58-R66 HydrophobicContact SD-CG 4.06Å; M58-S69 WeakPolarHBondContact SD-CB 3.17Å; M58-L72 HydrophobicContact CE-CD1 3.82Å
59A84.5Confident85.6Confident78 Ų7877.8 Ų77.865%0.64540%0.397SS*.THydrogen-bonded Turntrans-61.2-31176.400000112.3K55 Q56 M57K55-A59 PolarHBondContact O-N 2.93Å; Q56-A59 PolarHBondContact O-N 2.89Å; M57-A59 VanDerWaalsContact C-N 3.29Å; M57-A59 PolarHBondContact O-N 3.34Å
60M76.8Confident85.5Confident131 Ų13180.2 Ų80.265%0.64541%0.409SS*.THydrogen-bonded Turntrans-85.3-7.4-178.5-57.4-177.2115.400113.6M58 H223M58-M60 PolarHBondContact O-N 3.48Å; M60-H223 PolarHBondContact O-CE1 3.16Å; M60-H223 PolarHBondContact O-ND1 3.31Å
61H82.6Confident85.5Confident6 Ų680.6 Ų80.63%0.02841%0.411CS..  trans-111.3140.3-167.7-67.777.9000114M57 M58 R66 S219M57-H61 PolarHBondContact O-CE1 3.1Å; M57-H61 PolarHBondContact O-ND1 3.01Å; M58-H61 PolarHBondContact O-N 2.64Å; H61-R66 HydrophobicContact CB-CG 4.39Å; H61-R66 PolarHBondContact O-NE 3.41Å; H61-S219 PolarHBondContact NE2-O 3.2Å
62N80.2Confident85.5Confident108 Ų10873.3 Ų73.358%0.57838%0.379SS*.  trans-71.3170.1169-79.5-19.3000112.3K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.37Å; N62-G65 PolarHBondContact O-N 3.29Å; N62-R66 PolarHBondContact O-N 2.81Å
63T79.9Confident85.5Confident117 Ų11770.9 Ų70.972%0.71837%0.367SS*.THydrogen-bonded Turntrans-53.8-38.4-175.5530000114R66T63-R66 PolarHBondContact O-N 3.37Å
64K78.7Confident85.6Confident119 Ų11972.8 Ų72.852%0.51738%0.381SS..THydrogen-bonded Turntrans-66.7-45.3174.7-68.9-176.1-178.2177.30112.1N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.37Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.18Å; K64-T67 WeakPolarHBondContact O-CB 3Å; K64-T67 PolarHBondContact O-N 3.14Å; K64-T67 PolarHBondContact O-OG1 3.14Å
65G78.6Confident85.7Confident0 Ų072.2 Ų72.20%038%0.376CS..G310 helixtrans-63.7-31.9177.300000113N62 T67 W68N62-G65 PolarHBondContact O-N 3.29Å; G65-T67 PolarHBondContact O-N 3Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 PolarHBondContact O-N 2.78Å
66R83.6Confident85.8Confident138 Ų13865.2 Ų65.252%0.52135%0.346SS..G310 helixtrans-62.6-20.7176.1-70.6-179.5-173.8-1750.8114.1M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact SD-CB 4.35Å; M58-R66 HydrophobicContact SD-CG 4.06Å; H61-R66 HydrophobicContact CB-CG 4.39Å; H61-R66 PolarHBondContact O-NE 3.41Å; N62-R66 PolarHBondContact O-N 2.81Å; T63-R66 PolarHBondContact O-N 3.37Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.18Å; R66-W68 PolarHBondContact O-N 3.34Å; R66-S69 WeakPolarHBondContact O-CB 3.23Å; R66-S69 PolarHBondContact O-N 3.11Å; R66-S69 VanDerWaalsContact O-N 3.11Å
67T86.4Confident86Confident103 Ų10360.8 Ų60.863%0.63233%0.326SS*.G310 helixtrans-63.9-25.4174.562.80000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3Å; K64-T67 PolarHBondContact O-N 3.14Å; K64-T67 PolarHBondContact O-OG1 3.14Å; G65-T67 PolarHBondContact O-N 3Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.14Å
68W87Confident86.4Confident52 Ų5262.4 Ų62.420%0.19733%0.333CS..G310 helixtrans-85.62177.3-73.253.9000113.5G65 R66 L70 M71 L72 T112 L222G65-W68 PolarHBondContact O-N 2.78Å; R66-W68 PolarHBondContact O-N 3.34Å; W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.19Å; W68-M71 HydrophobicContact CD2-CE 3.94Å; W68-M71 HydrophobicContact CE3-CE 3.04Å; W68-M71 HydrophobicContact CH2-CE 3.82Å; W68-M71 HydrophobicContact CZ3-CE 2.99Å; W68-M71 PolarHBondContact O-N 3.23Å; W68-M71 VanDerWaalsContact O-N 3.08Å; W68-L72 PolarHBondContact O-N 3.15Å; W68-T112 HydrophobicContact CZ3-CG2 3.98Å; W68-L222 HydrophobicContact CB-CD2 3.49Å; W68-L222 VanDerWaalsContact CB-CD2 3.49Å; W68-L222 HydrophobicContact CD2-CD1 3.81Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CD1 4.05Å; W68-L222 HydrophobicContact CE3-CD2 4.36Å; W68-L222 HydrophobicContact CG-CD1 4.03Å; W68-L222 HydrophobicContact CG-CD2 3.69Å
69S87.5Confident86.6Confident31 Ų3161.5 Ų61.522%0.21733%0.328CS..Hα-helixtrans-52.8-47.1-178.5-178.40000112.5M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact SD-CB 3.17Å; R66-S69 WeakPolarHBondContact O-CB 3.23Å; R66-S69 PolarHBondContact O-N 3.11Å; R66-S69 VanDerWaalsContact O-N 3.11Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.14Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.37Å; S69-L72 PolarHBondContact O-N 2.92Å; S69-V73 WeakPolarHBondContact O-CB 3.45Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.24Å; S69-V73 PolarHBondContact O-N 3.19Å
70L91.1Very high86.9Confident148 Ų14859.3 Ų59.378%0.77531%0.31SS*.Hα-helixtrans-58.3-44.1-179.7-173.375.8000111.2W68 S74W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.19Å; L70-S74 WeakPolarHBondContact O-CB 3.28Å; L70-S74 PolarHBondContact O-N 3.37Å; L70-S74 PolarHBondContact O-OG 3Å
71M91.4Very high87.6Confident66 Ų6654.6 Ų54.633%0.32529%0.289SS..Hα-helixtrans-67.1-47.8-178.1-169.5165.269.200111.3W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.94Å; W68-M71 HydrophobicContact CE3-CE 3.04Å; W68-M71 HydrophobicContact CH2-CE 3.82Å; W68-M71 HydrophobicContact CZ3-CE 2.99Å; W68-M71 PolarHBondContact O-N 3.23Å; W68-M71 VanDerWaalsContact O-N 3.08Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.37Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 2.98Å; M71-S74 PolarHBondContact O-N 2.96Å; M71-S74 PolarHBondContact O-OG 3Å; M71-L75 VanDerWaalsContact O-CB 3.27Å; M71-L75 WeakPolarHBondContact O-CB 3.41Å; M71-L75 PolarHBondContact O-N 3.24Å; M71-L108 HydrophobicContact CE-CD2 3.36Å; M71-L108 HydrophobicContact CG-CD2 4.14Å; M71-L108 HydrophobicContact SD-CD2 3.6Å
72L90.7Very high88Confident1 Ų154.5 Ų54.51%0.00529%0.288CS..Hα-helixtrans-61.5-40.8179.3-69.9170.6000112.3M57 M58 W68 S69 L75 I76 V218 L222M57-L72 HydrophobicContact SD-CB 4.41Å; M58-L72 HydrophobicContact CE-CD1 3.82Å; W68-L72 PolarHBondContact O-N 3.15Å; S69-L72 PolarHBondContact O-N 2.92Å; L72-L75 PolarHBondContact O-N 3.36Å; L72-I76 PolarHBondContact O-N 3.47Å; L72-I76 VanDerWaalsContact O-N 3.08Å; L72-V218 HydrophobicContact CD2-CB 4.2Å; L72-V218 HydrophobicContact CD2-CG1 3.86Å; L72-L222 HydrophobicContact CD1-CD2 4.47Å
73V91.6Very high88.5Confident15 Ų1549.4 Ų49.49%0.09126%0.261CS..Hα-helixtrans-67.9-42.8176.8172.90000111.1I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.89Å; S69-V73 WeakPolarHBondContact O-CB 3.45Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.24Å; S69-V73 PolarHBondContact O-N 3.19Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 2.98Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.78Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.33Å; V73-I77 HydrophobicContact CG1-CD1 3.75Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.34Å; V73-I77 WeakPolarHBondContact O-CG1 3.3Å; V73-I77 PolarHBondContact O-N 3.13Å
74S91.8Very high89Confident65 Ų6548.8 Ų48.846%0.45525%0.253SS..Hα-helixtrans-62.9-38176.2700000112.1L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.28Å; L70-S74 PolarHBondContact O-N 3.37Å; L70-S74 PolarHBondContact O-OG 3Å; M71-S74 PolarHBondContact O-N 2.96Å; M71-S74 PolarHBondContact O-OG 3Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.5Å; S74-F78 PolarHBondContact O-N 3.14Å
75L91.1Very high89.5Confident16 Ų1644.8 Ų44.88%0.08424%0.237CC..Hα-helixtrans-66.4-48.1-179.4-176.178000112.1M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.27Å; M71-L75 WeakPolarHBondContact O-CB 3.41Å; M71-L75 PolarHBondContact O-N 3.24Å; L72-L75 PolarHBondContact O-N 3.36Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.78Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.2Å; L75-F78 PolarHBondContact O-N 2.91Å; L75-I79 HydrophobicContact CD1-CD1 4.03Å; L75-I79 HydrophobicContact CG-CD1 3.91Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 3.45Å; L75-L108 HydrophobicContact CD1-CD1 3.51Å; L75-L108 HydrophobicContact CD2-CD1 3.73Å; L75-L108 HydrophobicContact CG-CD1 4.27Å; L75-F214 HydrophobicContact CD1-CE1 4.09Å; L75-F214 HydrophobicContact CD2-CD1 3.87Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CD1 4.32Å; L75-F214 HydrophobicContact CG-CE1 4.2Å; L75-T215 HydrophobicContact CB-CG2 4.11Å; L75-T215 HydrophobicContact CD2-CG2 3.51Å; L75-T215 HydrophobicContact CG-CG2 3.76Å
76I91.7Very high89.8Confident16 Ų1644.8 Ų44.88%0.08224%0.238CC..Hα-helixtrans-63.7-40.9-179.8-169.3169.5000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.38Å; M57-I76 HydrophobicContact CE-CD1 3.62Å; L72-I76 PolarHBondContact O-N 3.47Å; L72-I76 VanDerWaalsContact O-N 3.08Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.33Å; I76-A80 WeakPolarHBondContact O-CB 3.01Å; I76-A80 PolarHBondContact O-N 3.08Å; I76-A211 HydrophobicContact CG1-CB 4.45Å; I76-Y212 HydrophobicContact CD1-CD2 4.22Å; I76-T215 VanDerWaalsContact CA-CG2 3.49Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.14Å
77I91.7Very high90Very high34 Ų3440.1 Ų40.117%0.17422%0.223CC..Hα-helixtrans-66.9-43178.7-63.4165.1000110.4I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å; I50-I77 HydrophobicContact CD1-CD1 4.06Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å; V73-I77 HydrophobicContact CG1-CD1 3.75Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.34Å; V73-I77 WeakPolarHBondContact O-CG1 3.3Å; V73-I77 PolarHBondContact O-N 3.13Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.2Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.18Å; I77-T81 PolarHBondContact O-N 3.48Å; I77-T81 PolarHBondContact O-OG1 3.11Å
78F91.1Very high90Very high48 Ų4839.7 Ų39.721%0.21122%0.216CC..Hα-helixtrans-60.3-54177.8179.9-103.9000111.6I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.35Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.5Å; S74-F78 PolarHBondContact O-N 3.14Å; L75-F78 PolarHBondContact O-N 2.91Å; F78-A80 PolarHBondContact O-N 3.37Å; F78-T81 PolarHBondContact O-N 3.4Å; F78-T81 PolarHBondContact O-OG1 3.28Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.17Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CG2 3.22Å; F78-T82 PolarHBondContact O-N 3.06Å; F78-T82 PolarHBondContact O-OG1 3.28Å; F78-T82 VanDerWaalsContact O-OG1 3.09Å; F78-M100 HydrophobicContact CE1-CE 3.79Å; F78-M100 HydrophobicContact CZ-CE 3.81Å; F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.4Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å
79I91.1Very high89.8Confident0 Ų042.7 Ų42.70%024%0.242CC..Hα-helixtrans-65-41.9-177.7-60.1168.3000111L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.03Å; L75-I79 HydrophobicContact CG-CD1 3.91Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 3.45Å; I79-T82 WeakPolarHBondContact CA-OG1 3.24Å; I79-T82 PolarHBondContact O-OG1 3.15Å; I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 3.2Å; I79-N83 PolarHBondContact O-ND2 2.9Å; I79-N83 PolarHBondContact O-OD1 2.83Å; I79-L160 HydrophobicContact CG2-CD1 4.02Å; I79-L160 HydrophobicContact CG2-CD2 4.23Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.38Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.75Å; I79-F214 HydrophobicContact CD1-CZ 4.36Å
80A90.8Very high89.5Confident31 Ų3150.8 Ų50.826%0.25628%0.276SS..Hα-helixtrans-63.2-43.9179.100000111.7I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.01Å; I76-A80 PolarHBondContact O-N 3.08Å; F78-A80 PolarHBondContact O-N 3.37Å; A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.31Å; A80-L84 PolarHBondContact O-N 3.36Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T91.1Very high89.2Confident32 Ų3245.5 Ų45.520%0.19625%0.251CS..Hα-helixtrans-68.8-44.4179.352.70000111.8P27 I77 F78 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.45Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.18Å; I77-T81 PolarHBondContact O-N 3.48Å; I77-T81 PolarHBondContact O-OG1 3.11Å; F78-T81 PolarHBondContact O-N 3.4Å; F78-T81 PolarHBondContact O-OG1 3.28Å; T81-N83 VanDerWaalsContact C-N 3.34Å; T81-N83 PolarHBondContact O-N 3.33Å; T81-L84 PolarHBondContact O-N 3.47Å; T81-L85 VanDerWaalsContact O-CB 3.31Å; T81-L85 WeakPolarHBondContact O-CB 3.47Å; T81-L85 VanDerWaalsContact O-CD1 3.29Å; T81-L85 WeakPolarHBondContact O-CD1 3.16Å; T81-L85 PolarHBondContact O-N 2.96Å
82T90.8Very high88.8Confident4 Ų443.7 Ų43.73%0.02524%0.242CC..Hα-helixtrans-61.4-40.8177.252.80000112.6P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.23Å; P27-T82 HydrophobicContact CG-CG2 3.46Å; P27-T82 VanDerWaalsContact CG-CG2 3.46Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.17Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CG2 3.22Å; F78-T82 PolarHBondContact O-N 3.06Å; F78-T82 PolarHBondContact O-OG1 3.28Å; F78-T82 VanDerWaalsContact O-OG1 3.09Å; I79-T82 WeakPolarHBondContact CA-OG1 3.24Å; I79-T82 PolarHBondContact O-OG1 3.15Å; T82-G86 PolarHBondContact O-N 3.06Å; T82-G86 VanDerWaalsContact O-N 3.08Å
83N90.9Very high88.4Confident2 Ų243.8 Ų43.81%0.01124%0.243CC..Hα-helixtrans-70.5-40.1-179.6-67.2-8.6000111.3I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 3.2Å; I79-N83 PolarHBondContact O-ND2 2.9Å; I79-N83 PolarHBondContact O-OD1 2.83Å; T81-N83 VanDerWaalsContact C-N 3.34Å; T81-N83 PolarHBondContact O-N 3.33Å; N83-G86 WeakPolarHBondContact O-CA 3.43Å; N83-G86 PolarHBondContact O-N 3.32Å; N83-G86 VanDerWaalsContact O-N 3.11Å; N83-L87 PolarHBondContact O-N 3.4Å; N83-T95 WeakPolarHBondContact OD1-CB 3.1Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.38Å; N83-T95 PolarHBondContact OD1-OG1 3.07Å; N83-I164 HydrophobicContact CB-CD1 4.33Å; N83-I164 VanDerWaalsContact CG-CD1 3.46Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.48Å; N83-A207 HydrophobicContact CB-CB 3.91Å; N83-A207 PolarHBondContact ND2-O 3.4Å
84L89.9Confident88Confident104 Ų10443.6 Ų43.655%0.54524%0.241SC..Hα-helixtrans-72-40.2-178.9-166.5137.8000112.5A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.31Å; A80-L84 PolarHBondContact O-N 3.36Å; T81-L84 PolarHBondContact O-N 3.47Å; L84-G86 PolarHBondContact O-N 3.48Å; L84-L87 PolarHBondContact O-N 3.42Å
85L89.8Confident87.7Confident34 Ų3440.5 Ų40.518%0.17822%0.22CC..Hα-helixtrans-57.3-31.5167.1-88.6149.3000112.1F26 P27 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.19Å; F26-L85 HydrophobicContact CD1-CD2 3.68Å; F26-L85 HydrophobicContact CE1-CD2 3.61Å; P27-L85 HydrophobicContact CB-CD1 3.87Å; P27-L85 HydrophobicContact CG-CD1 3.96Å; L30-L85 HydrophobicContact CD1-CD1 3.53Å; L30-L85 HydrophobicContact CD1-CD2 4.08Å; L30-L85 HydrophobicContact CD1-CG 4.01Å; T81-L85 VanDerWaalsContact O-CB 3.31Å; T81-L85 WeakPolarHBondContact O-CB 3.47Å; T81-L85 VanDerWaalsContact O-CD1 3.29Å; T81-L85 WeakPolarHBondContact O-CD1 3.16Å; T81-L85 PolarHBondContact O-N 2.96Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.11Å; L85-L88 HydrophobicContact CD2-CD1 4.21Å; L85-L88 WeakPolarHBondContact O-CB 3.13Å; L85-L88 WeakPolarHBondContact O-CG 3.39Å; L85-L88 PolarHBondContact O-N 2.91Å; L85-S91 PolarHBondContact O-OG 2.98Å
86G85.8Confident87.4Confident1 Ų140.1 Ų40.11%0.0122%0.218CC..Hα-helixtrans-63.8-32.3179.100000116.5T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.06Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.43Å; N83-G86 PolarHBondContact O-N 3.32Å; N83-G86 VanDerWaalsContact O-N 3.11Å; L84-G86 PolarHBondContact O-N 3.48Å; G86-L88 PolarHBondContact O-N 3.13Å; G86-S91 PolarHBondContact O-OG 3.5Å; G86-H168 PolarHBondContact O-CE1 3.24Å; G86-H168 PolarHBondContact O-NE2 3.28Å; G86-H168 VanDerWaalsContact O-NE2 3.07Å
87L86.8Confident87.3Confident40 Ų4042.5 Ų42.521%0.20923%0.229CC..THydrogen-bonded Turntrans-78.6-4.7-178.7-61.3174.5000112.9N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.4Å; L84-L87 PolarHBondContact O-N 3.42Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.11Å; L87-M171 HydrophobicContact CD2-CE 3.98Å; L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.64Å; L87-A207 HydrophobicContact CD1-CB 4.07Å
88L87.6Confident87Confident94 Ų9444.3 Ų44.349%0.49224%0.239SC..SBendtrans-66.2146.1174.8-65.6173.9000110.8L85 G86 H90 S91L85-L88 HydrophobicContact CD2-CD1 4.21Å; L85-L88 WeakPolarHBondContact O-CB 3.13Å; L85-L88 WeakPolarHBondContact O-CG 3.39Å; L85-L88 PolarHBondContact O-N 2.91Å; G86-L88 PolarHBondContact O-N 3.13Å; L88-H90 PolarHBondContact O-N 3.39Å; L88-S91 PolarHBondContact O-N 3.43Å; L88-S91 PolarHBondContact O-OG 3Å; L88-S91 VanDerWaalsContact O-OG 3.05Å
89P82Confident86.9Confident114 Ų11446 Ų4674%0.7426%0.256SS*.THydrogen-bonded Turntrans-59.8132.8178.924.9-33.6000110.6S91P89-S91 PolarHBondContact O-N 3.03Å; P89-S91 VanDerWaalsContact O-N 3.16Å
90H81.9Confident86.7Confident202 Ų20248 Ų4894%0.93527%0.266SS*.THydrogen-bonded Turntrans5917.1-179.8-56.5-68.7000115.9L88L88-H90 PolarHBondContact O-N 3.39Å
91S84Confident86.6Confident36 Ų3646.5 Ų46.525%0.25225%0.254SS..  trans-82143.2170.870.70000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.98Å; G86-S91 PolarHBondContact O-OG 3.5Å; L88-S91 PolarHBondContact O-N 3.43Å; L88-S91 PolarHBondContact O-OG 3Å; L88-S91 VanDerWaalsContact O-OG 3.05Å; P89-S91 PolarHBondContact O-N 3.03Å; P89-S91 VanDerWaalsContact O-N 3.16Å
92F82.1Confident86.4Confident28 Ų2847 Ų4712%0.12326%0.255CS..  trans-89124.1171.5171.4-94.9000109.2S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.41Å; A11-F92 HydrophobicContact CB-CZ 4.48Å; P12-F92 HydrophobicContact CG-CB 4.37Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.09Å; A20-F92 HydrophobicContact CB-CE1 4.39Å; I23-F92 HydrophobicContact CD1-CB 4.02Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.45Å; I23-F92 WeakPolarHBondContact CG2-O 3.3Å; F92-P94 HydrophobicContact CE1-CB 4.43Å; F92-P94 WeakPolarHBondContact O-CD 3.31Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å
93T83.8Confident86.3Confident4 Ų449.8 Ų49.83%0.02528%0.278CS..  trans-92.2111.3177.628.50000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 2.96Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 3.34Å; T93-T96 PolarHBondContact O-OG1 2.94Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.37Å; T93-I164 HydrophobicContact CG2-CG2 4.3Å
94P82.6Confident86.1Confident10 Ų1050.8 Ų50.87%0.06528%0.284CS..G310 helixtrans-63.7-23.3176.526-33.5000112.7I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.32Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.08Å; F92-P94 HydrophobicContact CE1-CB 4.43Å; F92-P94 WeakPolarHBondContact O-CD 3.31Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.49Å; P94-Q97 PolarHBondContact O-N 2.97Å; P94-M100 WeakPolarHBondContact O-CB 3.49Å
95T84.9Confident86Confident1 Ų146 Ų461%0.00626%0.258CS..G310 helixtrans-76.4-717950.50000114.5N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.1Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.38Å; N83-T95 PolarHBondContact OD1-OG1 3.07Å; T93-T95 PolarHBondContact O-N 2.96Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.17Å; T95-N101 PolarHBondContact O-OD1 3.47Å; T95-L160 HydrophobicContact CG2-CD2 4.48Å; T95-I164 VanDerWaalsContact OG1-CD1 3.26Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.41Å
96T85.6Confident85.9Confident8 Ų848.2 Ų48.25%0.04927%0.27CS..G310 helixtrans-74.4-26.8169.456.20000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; T93-T96 PolarHBondContact O-N 3.34Å; T93-T96 PolarHBondContact O-OG1 2.94Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.37Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.49Å; T96-L98 PolarHBondContact O-N 2.89Å; T96-T161 WeakPolarHBondContact O-CG2 3.5Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.68Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å
97Q88.6Confident86.1Confident66 Ų6652 Ų5231%0.30829%0.294SS..SBendtrans-78.4121.1178.5-66.3-63.5-2900109.9F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 2.89Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å; P94-Q97 PolarHBondContact O-N 2.97Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 2.96Å; Q97-M100 PolarHBondContact O-N 3.18Å; Q97-M100 VanDerWaalsContact O-N 3.13Å; Q97-N101 PolarHBondContact O-N 2.84Å
98L86.5Confident86.2Confident72 Ų7250.9 Ų50.938%0.37729%0.288SS..Hα-helixtrans-58.1-33178.5-177.463.8000112.1T96 M100 N101 L102 A157 V158 T161T96-L98 PolarHBondContact O-N 2.89Å; L98-M100 VanDerWaalsContact C-N 3.34Å; L98-M100 PolarHBondContact O-N 3.35Å; L98-N101 PolarHBondContact O-N 3.32Å; L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 PolarHBondContact O-N 3.32Å; L98-A157 HydrophobicContact CD1-CB 4.35Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å
99S88Confident86.1Confident83 Ų8348.3 Ų48.358%0.5827%0.272SS*.Hα-helixtrans-56.6-44.6176.755.90000112.6Q97 A103Q97-S99 PolarHBondContact O-N 2.96Å; S99-A103 WeakPolarHBondContact O-CB 3.35Å; S99-A103 PolarHBondContact O-N 3.1Å
100M87.4Confident86.3Confident41 Ų4144.2 Ų44.220%0.20225%0.248CC..Hα-helixtrans-67.3-45.8-179.1-176.156.9-170.300111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CG2-CE 4.45Å; F78-M100 HydrophobicContact CE1-CE 3.79Å; F78-M100 HydrophobicContact CZ-CE 3.81Å; P94-M100 WeakPolarHBondContact O-CB 3.49Å; Q97-M100 PolarHBondContact O-N 3.18Å; Q97-M100 VanDerWaalsContact O-N 3.13Å; L98-M100 VanDerWaalsContact C-N 3.34Å; L98-M100 PolarHBondContact O-N 3.35Å; M100-L102 PolarHBondContact O-N 3.47Å; M100-A103 PolarHBondContact O-N 3.48Å; M100-M104 HydrophobicContact CE-CE 3.98Å; M100-M104 HydrophobicContact CE-CG 4.27Å; M100-M104 HydrophobicContact CE-SD 3.96Å; M100-M104 HydrophobicContact CG-CE 3.89Å; M100-M104 PolarHBondContact O-N 2.96Å; M100-M104 VanDerWaalsContact O-N 3.08Å
101N88.4Confident86.5Confident0 Ų035.6 Ų35.60%021%0.214CC..Hα-helixtrans-67.6-37.9-179.1-66.1-7.5000111.9T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.17Å; T95-N101 PolarHBondContact O-OD1 3.47Å; Q97-N101 PolarHBondContact O-N 2.84Å; L98-N101 PolarHBondContact O-N 3.32Å; N101-M104 PolarHBondContact O-N 3.29Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.39Å; N101-A105 PolarHBondContact O-N 3.36Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.09Å; N101-L160 HydrophobicContact CB-CD2 4.27Å; N101-L160 WeakPolarHBondContact ND2-CB 3.41Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.26Å; N101-L160 VanDerWaalsContact ND2-CG 3.31Å; N101-L160 WeakPolarHBondContact ND2-CG 3.42Å; N101-L160 VanDerWaalsContact OD1-CD2 3.31Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.49Å; N101-T161 HydrophobicContact CB-CG2 4.27Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.34Å; N101-T161 PolarHBondContact ND2-N 2.91Å
102L86.6Confident86.5Confident42 Ų4233.9 Ų33.922%0.2220%0.202CC..Hα-helixtrans-69.3-38.9176.4-165.168.5000111.4L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 PolarHBondContact O-N 3.32Å; M100-L102 PolarHBondContact O-N 3.47Å; L102-M104 PolarHBondContact O-N 3.4Å; L102-A105 PolarHBondContact O-N 3.13Å; L102-I106 HydrophobicContact CD1-CD1 3.71Å; L102-I106 HydrophobicContact CD1-CG1 3.8Å; L102-I106 HydrophobicContact CD2-CD1 3.95Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.93Å; L102-I106 WeakPolarHBondContact O-CG1 3.28Å; L102-I106 PolarHBondContact O-N 3.31Å; L102-M154 HydrophobicContact CD1-SD 3.98Å; L102-A157 HydrophobicContact CB-CB 4.49Å; L102-A157 HydrophobicContact CD1-CB 4.22Å
103A89.3Confident86.6Confident63 Ų6333.4 Ų33.452%0.52120%0.201SC..Hα-helixtrans-62.9-28.6174.100000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.35Å; S99-A103 PolarHBondContact O-N 3.1Å; M100-A103 PolarHBondContact O-N 3.48Å; A103-P107 WeakPolarHBondContact O-CD 3.31Å; A103-P107 WeakPolarHBondContact O-CG 2.97Å
104M86.8Confident86.6Confident24 Ų2437.9 Ų37.912%0.11822%0.224CC..Hα-helixtrans-80.8-44.9171-70.3-176.1-77.300112.4F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.4Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å; M100-M104 HydrophobicContact CE-CE 3.98Å; M100-M104 HydrophobicContact CE-CG 4.27Å; M100-M104 HydrophobicContact CE-SD 3.96Å; M100-M104 HydrophobicContact CG-CE 3.89Å; M100-M104 PolarHBondContact O-N 2.96Å; M100-M104 VanDerWaalsContact O-N 3.08Å; N101-M104 PolarHBondContact O-N 3.29Å; L102-M104 PolarHBondContact O-N 3.4Å; M104-L108 VanDerWaalsContact O-CD1 3.24Å; M104-L108 WeakPolarHBondContact O-CD1 3.31Å; M104-L108 VanDerWaalsContact O-CG 3.28Å; M104-L108 WeakPolarHBondContact O-CG 3.47Å
105A87.1Confident86.6Confident2 Ų240 Ų402%0.01723%0.233CC..Hα-helixtrans-70.6-44.7-172.200000113.5N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.39Å; N101-A105 PolarHBondContact O-N 3.36Å; L102-A105 PolarHBondContact O-N 3.13Å; A105-L108 PolarHBondContact O-N 3.36Å; A105-W109 WeakPolarHBondContact O-CB 3.45Å; A105-W109 PolarHBondContact O-N 3.35Å; A105-L156 HydrophobicContact CB-CD2 4.47Å; A105-A157 HydrophobicContact CB-CB 4.21Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.18Å
106I88.4Confident86.3Confident82 Ų8240 Ų4042%0.42123%0.234SC..Hα-helixtrans-62.3-50.2-175.6-66.3177.7000111.7L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.71Å; L102-I106 HydrophobicContact CD1-CG1 3.8Å; L102-I106 HydrophobicContact CD2-CD1 3.95Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.93Å; L102-I106 WeakPolarHBondContact O-CG1 3.28Å; L102-I106 PolarHBondContact O-N 3.31Å; I106-L108 PolarHBondContact O-N 3.13Å; I106-W109 PolarHBondContact O-N 2.91Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.4Å
107P89.7Confident85.9Confident79 Ų7943.6 Ų43.651%0.51325%0.249SC..Hα-helixtrans-65.1-37.6-178.6-24.236.8000113.1A103 G111A103-P107 WeakPolarHBondContact O-CD 3.31Å; A103-P107 WeakPolarHBondContact O-CG 2.97Å; P107-G111 PolarHBondContact O-N 3.32Å
108L88.4Confident85.3Confident17 Ų1750.3 Ų50.39%0.08927%0.272CS..Hα-helixtrans-64.3-47.5177.7-72.4169.1000111.4M71 L75 M104 A105 I106 G111 T112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.36Å; M71-L108 HydrophobicContact CG-CD2 4.14Å; M71-L108 HydrophobicContact SD-CD2 3.6Å; L75-L108 HydrophobicContact CD1-CD1 3.51Å; L75-L108 HydrophobicContact CD2-CD1 3.73Å; L75-L108 HydrophobicContact CG-CD1 4.27Å; M104-L108 VanDerWaalsContact O-CD1 3.24Å; M104-L108 WeakPolarHBondContact O-CD1 3.31Å; M104-L108 VanDerWaalsContact O-CG 3.28Å; M104-L108 WeakPolarHBondContact O-CG 3.47Å; A105-L108 PolarHBondContact O-N 3.36Å; I106-L108 PolarHBondContact O-N 3.13Å; L108-G111 PolarHBondContact O-N 3.39Å; L108-T112 PolarHBondContact O-N 3.26Å; L108-T112 VanDerWaalsContact O-N 3.1Å; L108-F214 HydrophobicContact CD1-CE1 4.06Å; L108-V218 HydrophobicContact CB-CG1 4.36Å
109W86.9Confident84.5Confident40 Ų4048.7 Ų48.715%0.15227%0.266CS..Hα-helixtrans-65.2-44.3176.3172.492.1000112.1A105 I106 G111 T112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.45Å; A105-W109 PolarHBondContact O-N 3.35Å; I106-W109 PolarHBondContact O-N 2.91Å; W109-G111 PolarHBondContact O-N 2.92Å; W109-T112 PolarHBondContact O-N 2.69Å; W109-T112 PolarHBondContact O-OG1 3.17Å; W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CH2-CG2 4.33Å; W109-V113 HydrophobicContact CZ2-CG2 3.88Å; W109-V113 WeakPolarHBondContact O-CG2 3.08Å; W109-V113 PolarHBondContact O-N 3.17Å; W109-L149 HydrophobicContact CH2-CD2 4.19Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.96Å; W109-L149 WeakPolarHBondContact CZ2-O 3.36Å; W109-L149 PolarHBondContact NE1-O 2.97Å; W109-L149 VanDerWaalsContact NE1-O 3.16Å; W109-L150 HydrophobicContact CH2-CD2 3.69Å; W109-L150 HydrophobicContact CZ2-CD2 4.15Å; W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.33Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.38Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.77Å
110A85.9Confident83.6Confident28 Ų2849 Ų4923%0.23126%0.258CS..Hα-helixtrans-61.2-39.4177.500000110.4I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.4Å; A110-V113 PolarHBondContact O-N 3.37Å; A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.41Å; A110-I114 WeakPolarHBondContact O-CD1 3.27Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 3.45Å
111G86Confident82.6Confident22 Ų2252.3 Ų52.323%0.22728%0.275CS..Hα-helixtrans-60.5-44.617500000113.5P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.32Å; L108-G111 PolarHBondContact O-N 3.39Å; W109-G111 PolarHBondContact O-N 2.92Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.26Å; G111-M115 PolarHBondContact O-N 2.75Å
112T84.5Confident81.3Confident0 Ų061.1 Ų61.10%031%0.313CS..Hα-helixtrans-66.7-42.9177.756.80000111.7W68 L108 W109 M115 G116 L222W68-T112 HydrophobicContact CZ3-CG2 3.98Å; L108-T112 PolarHBondContact O-N 3.26Å; L108-T112 VanDerWaalsContact O-N 3.1Å; W109-T112 PolarHBondContact O-N 2.69Å; W109-T112 PolarHBondContact O-OG1 3.17Å; T112-M115 PolarHBondContact O-N 3.26Å; T112-G116 PolarHBondContact O-N 2.92Å; T112-L222 HydrophobicContact CG2-CB 4.12Å; T112-L222 HydrophobicContact CG2-CD1 4.16Å
113V83.3Confident80.3Confident17 Ų1764 Ų6410%0.10333%0.328CS..Hα-helixtrans-64.6-46.8178.5172.90000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CH2-CG2 4.33Å; W109-V113 HydrophobicContact CZ2-CG2 3.88Å; W109-V113 WeakPolarHBondContact O-CG2 3.08Å; W109-V113 PolarHBondContact O-N 3.17Å; A110-V113 PolarHBondContact O-N 3.37Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 3.49Å; V113-G116 PolarHBondContact O-N 2.88Å; V113-F117 HydrophobicContact CG1-CD2 3.65Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 HydrophobicContact CG1-CZ 4.49Å; V113-F117 WeakPolarHBondContact O-CD2 3.35Å; V113-F117 PolarHBondContact O-N 3.27Å
114I84.6Confident79.1Confident98 Ų9861.9 Ų61.950%0.50331%0.311SS..Hα-helixtrans-61.5-39.7176.6-68.2164.2000110.5A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.41Å; A110-I114 WeakPolarHBondContact O-CD1 3.27Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 3.45Å; I114-F117 PolarHBondContact O-N 2.87Å; I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 3.47Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.29Å; I114-R118 PolarHBondContact O-N 3.43Å
115M81.9Confident77.9Confident54 Ų5465.1 Ų65.127%0.26633%0.329SS..Hα-helixtrans-65.5-38.7176.2-172.961.7-178.100112.2G111 T112 V113 R118 S119G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.26Å; G111-M115 PolarHBondContact O-N 2.75Å; T112-M115 PolarHBondContact O-N 3.26Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 3.49Å; M115-R118 PolarHBondContact O-N 2.92Å; M115-S119 WeakPolarHBondContact O-CB 3.24Å; M115-S119 PolarHBondContact O-N 3.4Å; M115-S119 PolarHBondContact O-OG 3.08Å
116G77.4Confident76.7Confident2 Ų267.7 Ų67.72%0.02135%0.349CS..Hα-helixtrans-60.7-50.6173.700000112.4T112 V113 R118 S119 K120 N225T112-G116 PolarHBondContact O-N 2.92Å; V113-G116 PolarHBondContact O-N 2.88Å; G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 3.41Å; G116-S119 PolarHBondContact O-N 2.97Å; G116-S119 PolarHBondContact O-OG 3.43Å; G116-K120 CarbonylContact O-C 3.57Å; G116-K120 PolarHBondContact O-N 2.98Å; G116-N225 WeakPolarHBondContact CA-O 3.29Å
117F78.3Confident75.5Confident83 Ų8369.2 Ų69.236%0.36436%0.355SS..Hα-helixtrans-60.9-39.9175.7-75.6-60.6000112.3V113 I114 I121 A124 L125V113-F117 HydrophobicContact CG1-CD2 3.65Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 HydrophobicContact CG1-CZ 4.49Å; V113-F117 WeakPolarHBondContact O-CD2 3.35Å; V113-F117 PolarHBondContact O-N 3.27Å; I114-F117 PolarHBondContact O-N 2.87Å; F117-I121 WeakPolarHBondContact O-CG1 3.4Å; F117-A124 HydrophobicContact CD1-CB 4.32Å; F117-A124 HydrophobicContact CE1-CB 4.43Å; F117-L125 HydrophobicContact CD1-CD1 4.16Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å
118R76.6Confident74.2Confident207 Ų20767.2 Ų67.278%0.78134%0.338SS*.Hα-helixtrans-70.6-35.4178.9-73.8-179.569.3-165.91.9113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 3.47Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.29Å; I114-R118 PolarHBondContact O-N 3.43Å; M115-R118 PolarHBondContact O-N 2.92Å; G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 3.41Å
119S68.6Low72.9Confident38 Ų3869.6 Ų69.627%0.26635%0.35SS..Hα-helixtrans-88.2-38.7-172.571.10000113.5M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.24Å; M115-S119 PolarHBondContact O-N 3.4Å; M115-S119 PolarHBondContact O-OG 3.08Å; G116-S119 PolarHBondContact O-N 2.97Å; G116-S119 PolarHBondContact O-OG 3.43Å; S119-N225 PolarHBondContact OG-O 3.5Å
120K69.7Low71.6Confident91 Ų9170.9 Ų70.940%0.39636%0.364SS..  trans-148.573.6-177.5-67.5175.3-178.5157.70111.5G116 K122 N123 A124 T226G116-K120 CarbonylContact O-C 3.57Å; G116-K120 PolarHBondContact O-N 2.98Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.35Å; K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.21Å; K120-N123 PolarHBondContact O-N 3.22Å; K120-N123 VanDerWaalsContact O-N 3.13Å; K120-A124 WeakPolarHBondContact O-CB 3.34Å; K120-A124 PolarHBondContact O-N 2.66Å; K120-T226 WeakPolarHBondContact CE-O 3.24Å; K120-T226 VanDerWaalsContact NZ-C 3.31Å; K120-T226 PolarHBondContact NZ-O 3.44Å; K120-T226 PolarHBondContact NZ-OXT 3.22Å; K120-T226 VanDerWaalsContact NZ-OXT 3.16Å
121I65.6Low70.4Confident109 Ų10979.3 Ų79.356%0.55940%0.398SS*.Hα-helixtrans-47.8-49.2176.6-60.2171.6000111.6F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.4Å; I121-N123 PolarHBondContact O-N 2.93Å; I121-L125 HydrophobicContact CG2-CD1 3.85Å; I121-L125 WeakPolarHBondContact O-CD1 3.3Å; I121-L125 PolarHBondContact O-N 3.45Å
122K62.2Low69.3Low186 Ų18682.2 Ų82.281%0.80943%0.428SS*.Hα-helixtrans-66.4-37.2-175.9-64.9-175.2-179.8-177.20113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.35Å; K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.06Å; K122-A126 PolarHBondContact O-N 2.86Å
123N66.2Low68.6Low101 Ų10183.9 Ų83.954%0.5444%0.439SS..Hα-helixtrans-79.4-35.9-177.9-146.258.5000111.4K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.21Å; K120-N123 PolarHBondContact O-N 3.22Å; K120-N123 VanDerWaalsContact O-N 3.13Å; I121-N123 PolarHBondContact O-N 2.93Å; N123-A126 PolarHBondContact O-N 2.96Å; N123-H127 PolarHBondContact O-N 2.88Å; N123-H127 VanDerWaalsContact O-N 3.1Å
124A62.7Low68.1Low19 Ų1986.6 Ų86.616%0.15746%0.457CS..Hα-helixtrans-63.3-42.8172.800000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.32Å; F117-A124 HydrophobicContact CE1-CB 4.43Å; K120-A124 WeakPolarHBondContact O-CB 3.34Å; K120-A124 PolarHBondContact O-N 2.66Å; A124-H127 PolarHBondContact O-N 3.45Å
125L62.5Low67.7Low93 Ų9387.6 Ų87.649%0.48747%0.467SS..Hα-helixtrans-70.7-32174.6-87.681.2000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.16Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å; I121-L125 HydrophobicContact CG2-CD1 3.85Å; I121-L125 WeakPolarHBondContact O-CD1 3.3Å; I121-L125 PolarHBondContact O-N 3.45Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 3.5Å; L125-F128 PolarHBondContact O-N 2.98Å
126A61.3Low67.7Low55 Ų5589.9 Ų89.946%0.45549%0.486SS..Hα-helixtrans-68-28.2176.600000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.06Å; K122-A126 PolarHBondContact O-N 2.86Å; N123-A126 PolarHBondContact O-N 2.96Å; A126-F128 PolarHBondContact O-N 2.95Å; A126-L129 PolarHBondContact O-N 3.3Å; A126-L129 VanDerWaalsContact O-N 3.07Å
127H63.3Low67.8Low115 Ų11594.9 Ų94.953%0.53251%0.512SS..THydrogen-bonded Turntrans-64.5-21.3175.3-162.7-64.2000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 2.88Å; N123-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 3.45Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 3.5Å; H127-L129 PolarHBondContact O-N 3.23Å
128F61.8Low67.8Low37 Ų3793.2 Ų93.216%0.16251%0.506CS..THydrogen-bonded Turntrans-69-15.4173.8-67.2-57.1000113.5L125 A126 L141 E145 T146 L149L125-F128 PolarHBondContact O-N 2.98Å; A126-F128 PolarHBondContact O-N 2.95Å; F128-L141 WeakPolarHBondContact O-CD2 3.12Å; F128-E145 HydrophobicContact CD1-CB 4.26Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; F128-T146 HydrophobicContact CD1-CG2 4.15Å; F128-T146 HydrophobicContact CE1-CG2 3.9Å; F128-T146 HydrophobicContact CZ-CG2 4.38Å; F128-L149 HydrophobicContact CE1-CD1 4.5Å
129L62Low67.9Low66 Ų6687.4 Ų87.435%0.34650%0.496SS..SBendtrans-122.7114.2176.2-98.778.3000111.2A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.3Å; A126-L129 VanDerWaalsContact O-N 3.07Å; H127-L129 PolarHBondContact O-N 3.23Å; L129-Q131 PolarHBondContact O-N 3.49Å; L129-I138 HydrophobicContact CD1-CG2 4.03Å; L129-I138 HydrophobicContact CD2-CD1 4.19Å; L129-I138 HydrophobicContact CD2-CG1 4.29Å; L129-I138 HydrophobicContact CD2-CG2 3.78Å; L129-I138 HydrophobicContact CG-CG2 4.16Å; L129-V142 HydrophobicContact CD1-CG2 3.35Å
130P60.2Low68.5Low68 Ų6891 Ų9144%0.44251%0.51SS..  trans-62.9137.6163.919.4-19.7000109.6G132 T133 L141P130-G132 PolarHBondContact O-N 3.25Å; P130-T133 HydrophobicContact CB-CG2 4.48Å; P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 PolarHBondContact O-OG1 3.36Å; P130-L141 HydrophobicContact CG-CD1 3.91Å; P130-L141 HydrophobicContact CG-CD2 4.02Å
131Q60.3Low69.2Low204 Ų20489 Ų8995%0.95350%0.503SS*.THydrogen-bonded Turntrans-65.1130.8-179-62.3-155.7-0.800110.4L129L129-Q131 PolarHBondContact O-N 3.49Å
132G62Low69.9Low83 Ų8386 Ų8686%0.85649%0.49SS*.THydrogen-bonded Turntrans95.914.7177.900000115.8P130P130-G132 PolarHBondContact O-N 3.25Å
133T70.6Confident71Confident36 Ų3681.5 Ų81.522%0.22147%0.474CS..  trans-73.8134.1174.744.60000112P130 L141P130-T133 HydrophobicContact CB-CG2 4.48Å; P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 PolarHBondContact O-OG1 3.36Å; T133-L141 HydrophobicContact CG2-CD1 3.99Å
134P73.2Confident71.9Confident73 Ų7381 Ų8147%0.47447%0.47SS..  trans-68139.5178.228.9-34.6000110.4P136 L137P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.39Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P134-L137 HydrophobicContact CG-CB 4.39Å; P134-L137 HydrophobicContact CG-CD1 3.7Å; P134-L137 HydrophobicContact CG-CG 4.19Å; P134-L137 PolarHBondContact O-N 3.4Å
135T75.6Confident72.9Confident119 Ų11983 Ų8373%0.7348%0.476SS*.THydrogen-bonded Turntrans-48.3-35.4-171.349.90000117I138T135-I138 HydrophobicContact CG2-CD1 4.5Å
136P81.3Confident73.7Confident102 Ų10281 Ų8166%0.66247%0.468SS*.THydrogen-bonded Turntrans-75.5-22.3178.727-34.4000114.7P134P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.39Å; P134-P136 VanDerWaalsContact O-N 3.09Å
137L79.2Confident74.9Confident107 Ų10782.4 Ų82.456%0.5647%0.467SS*.THydrogen-bonded Turntrans-87.7-11.6-177.5-66.5176.8000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.39Å; P134-L137 HydrophobicContact CG-CD1 3.7Å; P134-L137 HydrophobicContact CG-CG 4.19Å; P134-L137 PolarHBondContact O-N 3.4Å; L137-M140 PolarHBondContact O-N 3.3Å; L137-L141 PolarHBondContact O-N 3.5Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I78.3Confident75.8Confident48 Ų4879.4 Ų79.425%0.24646%0.459CS..Hα-helixtrans-56.3-48.9-175.9-64.2176.4000112.6L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.03Å; L129-I138 HydrophobicContact CD2-CD1 4.19Å; L129-I138 HydrophobicContact CD2-CG1 4.29Å; L129-I138 HydrophobicContact CD2-CG2 3.78Å; L129-I138 HydrophobicContact CG-CG2 4.16Å; T135-I138 HydrophobicContact CG2-CD1 4.5Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.27Å; I138-L141 PolarHBondContact O-N 2.96Å; I138-V142 HydrophobicContact CG2-CG2 4.45Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 3.07Å; I138-V142 VanDerWaalsContact O-N 3.15Å
139P78.6Confident76.8Confident86 Ų8679.9 Ų79.956%0.55846%0.463SS*.Hα-helixtrans-64.3-37-175.6-21.233.8000112.8I143P139-I143 WeakPolarHBondContact O-CG1 3.44Å; P139-I143 PolarHBondContact O-N 3.23Å
140M82.5Confident77.8Confident114 Ų11482 Ų8256%0.56247%0.474SS*.Hα-helixtrans-69.3-41.3178.8-173.664.2-170.800111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.3Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.27Å; M140-I143 PolarHBondContact O-N 2.68Å; M140-I144 HydrophobicContact CE-CD1 3.94Å; M140-I144 HydrophobicContact CE-CG1 4.16Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.15Å; M140-I144 PolarHBondContact O-N 2.86Å; M140-I144 VanDerWaalsContact O-N 3.12Å
141L84Confident78.9Confident48 Ų4883.5 Ų83.525%0.25148%0.477SS..Hα-helixtrans-66.9-39.3-178.1-170.2146.4000112.2F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.12Å; P130-L141 HydrophobicContact CG-CD1 3.91Å; P130-L141 HydrophobicContact CG-CD2 4.02Å; T133-L141 HydrophobicContact CG2-CD1 3.99Å; L137-L141 PolarHBondContact O-N 3.5Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 2.96Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.47Å; L141-I144 PolarHBondContact O-N 3.39Å; L141-E145 WeakPolarHBondContact O-CB 3.29Å; L141-E145 PolarHBondContact O-N 3.17Å
142V80.8Confident80Confident46 Ų4677 Ų7728%0.27945%0.447SS..Hα-helixtrans-60.4-41.1175.3174.50000111.4L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.35Å; I138-V142 HydrophobicContact CG2-CG2 4.45Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 3.07Å; I138-V142 VanDerWaalsContact O-N 3.15Å; V142-E145 PolarHBondContact O-N 3.19Å; V142-T146 HydrophobicContact CG1-CG2 4.37Å; V142-T146 WeakPolarHBondContact O-CB 3.19Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.49Å; V142-T146 PolarHBondContact O-N 3.28Å; V142-T146 PolarHBondContact O-OG1 3.24Å
143I84.5Confident80.8Confident92 Ų9273.6 Ų73.647%0.47241%0.41SS..Hα-helixtrans-63.5-44.1177.1-66167.3000110.5P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.44Å; P139-I143 PolarHBondContact O-N 3.23Å; M140-I143 PolarHBondContact O-N 2.68Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.47Å; I143-T146 WeakPolarHBondContact CA-OG1 3.3Å; I143-T146 PolarHBondContact O-OG1 3.06Å; I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 WeakPolarHBondContact O-CD1 3.39Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.31Å; I143-I147 PolarHBondContact O-N 3.22Å
144I85.1Confident81.5Confident91 Ų9176.3 Ų76.347%0.46742%0.421SS..Hα-helixtrans-65.2-43.3179.2-64.2166000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.94Å; M140-I144 HydrophobicContact CE-CG1 4.16Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.15Å; M140-I144 PolarHBondContact O-N 2.86Å; M140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 3.39Å; I144-I147 PolarHBondContact O-N 3.24Å; I144-S148 WeakPolarHBondContact O-CB 3.4Å; I144-S148 PolarHBondContact O-N 3.07Å
145E83.6Confident82Confident59 Ų5974.7 Ų74.728%0.27641%0.414SS..Hα-helixtrans-67.3-39.6-178.9-167.561.8-160.700111.8F128 L141 V142 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.26Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; L141-E145 WeakPolarHBondContact O-CB 3.29Å; L141-E145 PolarHBondContact O-N 3.17Å; V142-E145 PolarHBondContact O-N 3.19Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.33Å; E145-S148 WeakPolarHBondContact O-CB 3.49Å; E145-S148 PolarHBondContact O-N 3.33Å; E145-L149 WeakPolarHBondContact O-CB 3.31Å; E145-L149 PolarHBondContact O-N 3.08Å
146T80.8Confident82.2Confident52 Ų5269.4 Ų69.432%0.31938%0.381SS..Hα-helixtrans-63.7-38.6174.152.50000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.15Å; F128-T146 HydrophobicContact CE1-CG2 3.9Å; F128-T146 HydrophobicContact CZ-CG2 4.38Å; V142-T146 HydrophobicContact CG1-CG2 4.37Å; V142-T146 WeakPolarHBondContact O-CB 3.19Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.49Å; V142-T146 PolarHBondContact O-N 3.28Å; V142-T146 PolarHBondContact O-OG1 3.24Å; I143-T146 WeakPolarHBondContact CA-OG1 3.3Å; I143-T146 PolarHBondContact O-OG1 3.06Å; T146-L150 WeakPolarHBondContact O-CG 3.39Å; T146-L150 PolarHBondContact O-N 2.96Å
147I85.1Confident82.3Confident85 Ų8564.5 Ų64.544%0.43635%0.349SS..Hα-helixtrans-66.6-43.9173.5-68.2166.7000111I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 WeakPolarHBondContact O-CD1 3.39Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.31Å; I143-I147 PolarHBondContact O-N 3.22Å; I144-I147 PolarHBondContact O-N 3.24Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.33Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.09Å; I147-L150 PolarHBondContact O-N 2.98Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.15Å; I147-I151 WeakPolarHBondContact O-CG1 3.26Å; I147-I151 PolarHBondContact O-N 3.35Å
148S83.1Confident82.7Confident52 Ų5262.4 Ų62.436%0.36434%0.341SS..Hα-helixtrans-57.5-45.8178.4-1770000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.4Å; I144-S148 PolarHBondContact O-N 3.07Å; E145-S148 WeakPolarHBondContact O-CB 3.49Å; E145-S148 PolarHBondContact O-N 3.33Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.74Å; S148-I151 PolarHBondContact O-N 3.44Å; S148-Q152 PolarHBondContact O-N 3.32Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L82.4Confident83.1Confident46 Ų4664.8 Ų64.824%0.24135%0.347CS..Hα-helixtrans-61-35.5177.5-175123.1000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.19Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.96Å; W109-L149 WeakPolarHBondContact CZ2-O 3.36Å; W109-L149 PolarHBondContact NE1-O 2.97Å; W109-L149 VanDerWaalsContact NE1-O 3.16Å; F128-L149 HydrophobicContact CE1-CD1 4.5Å; E145-L149 WeakPolarHBondContact O-CB 3.31Å; E145-L149 PolarHBondContact O-N 3.08Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.09Å; L149-P153 WeakPolarHBondContact O-CD 3.41Å
150L82.2Confident83.2Confident112 Ų11260.7 Ų60.759%0.58632%0.32SS*.Hα-helixtrans-78.3-34.7176.9-71.4173.6000113.6W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.69Å; W109-L150 HydrophobicContact CZ2-CD2 4.15Å; T146-L150 WeakPolarHBondContact O-CG 3.39Å; T146-L150 PolarHBondContact O-N 2.96Å; I147-L150 PolarHBondContact O-N 2.98Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.74Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-P153 WeakPolarHBondContact O-CD 3.43Å; L150-P153 WeakPolarHBondContact O-CG 3.22Å
151I84.6Confident83.4Confident98 Ų9855.9 Ų55.950%0.50330%0.297SS..Hα-helixtrans-72.4-30.5-179.5-69.2173.1000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.15Å; I147-I151 WeakPolarHBondContact O-CG1 3.26Å; I147-I151 PolarHBondContact O-N 3.35Å; S148-I151 PolarHBondContact O-N 3.44Å; I151-M154 WeakPolarHBondContact O-CB 3.4Å; I151-M154 PolarHBondContact O-N 3.42Å; I151-M154 VanDerWaalsContact O-N 3.14Å; I151-A155 HydrophobicContact CG2-CB 4.46Å; I151-A155 WeakPolarHBondContact O-CB 3.36Å; I151-A155 PolarHBondContact O-N 3.44Å
152Q83.1Confident83.4Confident69 Ų6955.6 Ų55.632%0.32230%0.301SS..Hα-helixtrans-50.8-53.9-178.2-108.7175.5-11.700116.2S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.32Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.01Å; Q152-A155 PolarHBondContact O-N 2.96Å; Q152-L156 WeakPolarHBondContact O-CB 3.29Å; Q152-L156 PolarHBondContact O-N 2.96Å; Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.36Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.26Å; Q152-Y221 PolarHBondContact NE2-OH 2.81Å; Q152-Y221 PolarHBondContact OE1-OH 3.32Å
153P78.9Confident83.7Confident11 Ų1156.3 Ų56.37%0.07130%0.304CS..Hα-helixtrans-64.4-34.2178.724.2-34.7000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.33Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.38Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.77Å; L149-P153 WeakPolarHBondContact O-CD 3.41Å; L150-P153 WeakPolarHBondContact O-CD 3.43Å; L150-P153 WeakPolarHBondContact O-CG 3.22Å; P153-A157 PolarHBondContact O-N 3.33Å; P153-A157 VanDerWaalsContact O-N 3.16Å
154M83.9Confident83.8Confident92 Ų9252.2 Ų52.245%0.45328%0.283SS..Hα-helixtrans-64.6-47.7174.7-162.394.8-171.600110.8L102 I151 Q152 L156 A157 V158L102-M154 HydrophobicContact CD1-SD 3.98Å; I151-M154 WeakPolarHBondContact O-CB 3.4Å; I151-M154 PolarHBondContact O-N 3.42Å; I151-M154 VanDerWaalsContact O-N 3.14Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.01Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 3.37Å; M154-A157 PolarHBondContact O-N 2.84Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.12Å; M154-V158 PolarHBondContact O-N 3.34Å
155A84.8Confident83.9Confident40 Ų4049.6 Ų49.633%0.33127%0.271SS..Hα-helixtrans-62.5-37.1179.800000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.46Å; I151-A155 WeakPolarHBondContact O-CB 3.36Å; I151-A155 PolarHBondContact O-N 3.44Å; Q152-A155 PolarHBondContact O-N 2.96Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.49Å; A155-R159 PolarHBondContact O-N 2.86Å
156L80.3Confident84.1Confident7 Ų749.4 Ų49.44%0.03728%0.28CS..Hα-helixtrans-61.9-48.5174.9-165.983.7000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.47Å; Q152-L156 WeakPolarHBondContact O-CB 3.29Å; Q152-L156 PolarHBondContact O-N 2.96Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 3.37Å; L156-R159 PolarHBondContact O-N 3.27Å; L156-L160 PolarHBondContact O-N 3.05Å; L156-F214 HydrophobicContact CD1-CD2 4.16Å; L156-F214 HydrophobicContact CD2-CD1 4.22Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 4.06Å; L156-F214 HydrophobicContact CD2-CE2 3.15Å; L156-F214 HydrophobicContact CD2-CG 3.87Å; L156-F214 HydrophobicContact CD2-CZ 3.54Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.18Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; L156-L217 HydrophobicContact CD1-CB 3.96Å; L156-L217 HydrophobicContact CD1-CD1 3.38Å; L156-L217 HydrophobicContact CD1-CG 4.3Å; L156-V218 HydrophobicContact CD2-CG2 4.33Å
157A83.5Confident84.4Confident0 Ų047.2 Ų47.20%027%0.267CS..Hα-helixtrans-64.3-44.6179.800000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.35Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.09Å; L102-A157 HydrophobicContact CB-CB 4.49Å; L102-A157 HydrophobicContact CD1-CB 4.22Å; A105-A157 HydrophobicContact CB-CB 4.21Å; P153-A157 PolarHBondContact O-N 3.33Å; P153-A157 VanDerWaalsContact O-N 3.16Å; M154-A157 PolarHBondContact O-N 2.84Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.72Å; A157-L160 PolarHBondContact O-N 3.07Å; A157-T161 PolarHBondContact O-N 3.01Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.37Å
158V86.7Confident84.5Confident63 Ų6344.7 Ų44.738%0.38225%0.254SS..Hα-helixtrans-64-38.5177.7172.70000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.12Å; M154-V158 PolarHBondContact O-N 3.34Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.99Å; V158-T161 WeakPolarHBondContact CA-OG1 3.29Å; V158-T161 PolarHBondContact O-N 3.47Å; V158-T161 PolarHBondContact O-OG1 2.87Å; V158-A162 WeakPolarHBondContact O-CB 3.12Å; V158-A162 PolarHBondContact O-N 3.07Å
159R86.9Confident84.8Confident98 Ų9844.3 Ų44.337%0.3725%0.247SC..Hα-helixtrans-61-42.6177.4-168.7-173.6-60.4152.72.7111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.49Å; A155-R159 PolarHBondContact O-N 2.86Å; L156-R159 PolarHBondContact O-N 3.27Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.72Å; R159-N163 WeakPolarHBondContact O-CB 3.34Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.38Å; R159-N163 PolarHBondContact O-ND2 2.9Å; R159-Q210 VanDerWaalsContact C-NE2 3.29Å
160L81.7Confident85.1Confident0 Ų045.9 Ų45.90%026%0.255CS..Hα-helixtrans-67.1-44.1179.3-179.669.8000110.7I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.02Å; I79-L160 HydrophobicContact CG2-CD2 4.23Å; T95-L160 HydrophobicContact CG2-CD2 4.48Å; N101-L160 HydrophobicContact CB-CD2 4.27Å; N101-L160 WeakPolarHBondContact ND2-CB 3.41Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.26Å; N101-L160 VanDerWaalsContact ND2-CG 3.31Å; N101-L160 WeakPolarHBondContact ND2-CG 3.42Å; N101-L160 VanDerWaalsContact OD1-CD2 3.31Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.49Å; L156-L160 PolarHBondContact O-N 3.05Å; A157-L160 PolarHBondContact O-N 3.07Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.99Å; L160-I164 HydrophobicContact CD1-CD1 3.87Å; L160-I164 HydrophobicContact CG-CD1 4.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.11Å; L160-I164 PolarHBondContact O-N 3.31Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.25Å; L160-Q210 HydrophobicContact CD1-CB 4.33Å; L160-Q210 HydrophobicContact CD1-CG 3.37Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; L160-F214 HydrophobicContact CD2-CD2 4.49Å
161T85.1Confident85.5Confident13 Ų1342 Ų428%0.0824%0.235CC..Hα-helixtrans-66.3-46.1177.449.30000112.3T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.5Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å; N101-T161 HydrophobicContact CB-CG2 4.27Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.34Å; N101-T161 PolarHBondContact ND2-N 2.91Å; A157-T161 PolarHBondContact O-N 3.01Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.37Å; V158-T161 WeakPolarHBondContact CA-OG1 3.29Å; V158-T161 PolarHBondContact O-N 3.47Å; V158-T161 PolarHBondContact O-OG1 2.87Å; T161-N163 PolarHBondContact O-N 3.35Å; T161-I164 PolarHBondContact O-N 3.46Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.27Å; T161-T165 VanDerWaalsContact O-CG2 3.24Å; T161-T165 WeakPolarHBondContact O-CG2 3.38Å; T161-T165 PolarHBondContact O-N 3.47Å; T161-T165 PolarHBondContact O-OG1 3.17Å
162A84.6Confident85.8Confident41 Ų4141.5 Ų41.534%0.33923%0.23SC..Hα-helixtrans-63.5-43.6-172.700000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.12Å; V158-A162 PolarHBondContact O-N 3.07Å; A162-T165 PolarHBondContact O-OG1 2.99Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 3.17Å
163N88.1Confident86.1Confident62 Ų6242.6 Ų42.633%0.33224%0.237SC..Hα-helixtrans-64.5-48.6-179.3-69.9-6.1000111.3R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.34Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.38Å; R159-N163 PolarHBondContact O-ND2 2.9Å; T161-N163 PolarHBondContact O-N 3.35Å; N163-G167 PolarHBondContact O-N 3.33Å; N163-V206 HydrophobicContact CB-CG1 4.05Å
164I84.9Confident86.7Confident6 Ų643.7 Ų43.73%0.03124%0.242CC..Hα-helixtrans-71.1-40.3-176.8-57175000111.4N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.33Å; N83-I164 VanDerWaalsContact CG-CD1 3.46Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.48Å; T93-I164 HydrophobicContact CG2-CG2 4.3Å; T95-I164 VanDerWaalsContact OG1-CD1 3.26Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.41Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.68Å; L160-I164 HydrophobicContact CD1-CD1 3.87Å; L160-I164 HydrophobicContact CG-CD1 4.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.11Å; L160-I164 PolarHBondContact O-N 3.31Å; T161-I164 PolarHBondContact O-N 3.46Å; I164-H168 WeakPolarHBondContact O-CB 3.26Å; I164-H168 PolarHBondContact O-CD2 3.47Å; I164-H168 PolarHBondContact O-N 3Å; I164-H168 VanDerWaalsContact O-N 3.07Å
165T87.6Confident87Confident36 Ų3640.4 Ų40.422%0.22123%0.233CC..Hα-helixtrans-66.4-46.4177.552.50000111.6F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.27Å; T161-T165 VanDerWaalsContact O-CG2 3.24Å; T161-T165 WeakPolarHBondContact O-CG2 3.38Å; T161-T165 PolarHBondContact O-N 3.47Å; T161-T165 PolarHBondContact O-OG1 3.17Å; A162-T165 PolarHBondContact O-OG1 2.99Å; T165-H168 PolarHBondContact O-N 3.44Å; T165-L169 WeakPolarHBondContact O-CB 3.18Å; T165-L169 WeakPolarHBondContact O-CG 3.44Å; T165-L169 PolarHBondContact O-N 3.3Å
166A87.2Confident87.2Confident55 Ų5541.3 Ų41.346%0.45524%0.236SC..Hα-helixtrans-64.1-43177.900000111.6A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 3.17Å; A166-L169 PolarHBondContact O-N 3.14Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 PolarHBondContact O-N 3.48Å
167G88.1Confident87.6Confident6 Ų642.7 Ų42.76%0.06225%0.249CC..Hα-helixtrans-58.7-48.7176.800000112.4N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.33Å; G167-L170 PolarHBondContact O-N 3.3Å; G167-M171 WeakPolarHBondContact O-CG 3.38Å; G167-M171 PolarHBondContact O-N 3.05Å; G167-E203 WeakPolarHBondContact CA-OE2 3.41Å
168H87.8Confident87.9Confident32 Ų3243.6 Ų43.615%0.14825%0.254CS..Hα-helixtrans-62.4-43.3176-90.8-89.2000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; G86-H168 PolarHBondContact O-CE1 3.24Å; G86-H168 PolarHBondContact O-NE2 3.28Å; G86-H168 VanDerWaalsContact O-NE2 3.07Å; I164-H168 WeakPolarHBondContact O-CB 3.26Å; I164-H168 PolarHBondContact O-CD2 3.47Å; I164-H168 PolarHBondContact O-N 3Å; I164-H168 VanDerWaalsContact O-N 3.07Å; T165-H168 PolarHBondContact O-N 3.44Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.26Å; H168-M171 PolarHBondContact O-N 3.26Å; H168-H172 WeakPolarHBondContact O-CB 3.03Å; H168-H172 PolarHBondContact O-N 2.83Å
169L88.1Confident88.1Confident43 Ų4346.6 Ų46.623%0.22527%0.268CS..Hα-helixtrans-61.6-42.9175.6-78169.8000111.4F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.07Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å; F9-L169 HydrophobicContact CE2-CD1 4.43Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.91Å; T165-L169 WeakPolarHBondContact O-CB 3.18Å; T165-L169 WeakPolarHBondContact O-CG 3.44Å; T165-L169 PolarHBondContact O-N 3.3Å; A166-L169 PolarHBondContact O-N 3.14Å; L169-H172 PolarHBondContact O-N 2.94Å; L169-L173 WeakPolarHBondContact O-CB 3.35Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.32Å
170L89.9Confident88.2Confident80 Ų8044.2 Ų44.242%0.41927%0.269SS..Hα-helixtrans-68-41.4-178.9-157.1152.1000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 PolarHBondContact O-N 3.48Å; G167-L170 PolarHBondContact O-N 3.3Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.26Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.81Å; L170-L173 PolarHBondContact O-N 3.36Å; L170-I174 HydrophobicContact CD2-CD1 3.48Å; L170-I174 VanDerWaalsContact CD2-CD1 3.48Å; L170-I174 HydrophobicContact CD2-CG1 4.11Å; L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 3.31Å; L170-L199 HydrophobicContact CB-CD2 4.41Å; L170-L199 HydrophobicContact CD2-CD1 3.65Å; L170-L199 HydrophobicContact CD2-CD2 3.2Å; L170-L199 HydrophobicContact CD2-CG 4.03Å; L170-L199 HydrophobicContact CG-CD2 4.38Å
171M90.6Very high88.5Confident30 Ų3047.1 Ų47.115%0.14828%0.283CS..Hα-helixtrans-59.1-43.3171.6-74.8-172.3-67.800111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.98Å; G167-M171 WeakPolarHBondContact O-CG 3.38Å; G167-M171 PolarHBondContact O-N 3.05Å; H168-M171 PolarHBondContact O-N 3.26Å; M171-G175 PolarHBondContact O-N 3.27Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.12Å; M171-T200 HydrophobicContact SD-CG2 3.96Å; M171-E203 HydrophobicContact CE-CG 4.17Å
172H89.2Confident88.6Confident88 Ų8849.6 Ų49.641%0.40730%0.301SS..Hα-helixtrans-67.8-41.8178.7-169.8-61.3000112.2L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.08Å; H168-H172 WeakPolarHBondContact O-CB 3.03Å; H168-H172 PolarHBondContact O-N 2.83Å; L169-H172 PolarHBondContact O-N 2.94Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.81Å; H172-G175 PolarHBondContact O-N 3.16Å; H172-S176 WeakPolarHBondContact O-CB 3.29Å; H172-S176 PolarHBondContact O-N 3.23Å; H172-S176 PolarHBondContact O-OG 3.36Å
173L90.1Very high88.8Confident91 Ų9153.3 Ų53.348%0.47632%0.32SS..Hα-helixtrans-63.5-48.2178.3-73.9172.1000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.09Å; L5-L173 HydrophobicContact CD2-CD2 4.33Å; L169-L173 WeakPolarHBondContact O-CB 3.35Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.32Å; L170-L173 PolarHBondContact O-N 3.36Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.11Å; L173-S176 PolarHBondContact O-N 3.29Å; L173-S176 PolarHBondContact O-OG 3.2Å; L173-A177 PolarHBondContact O-N 2.93Å
174I91.4Very high88.8Confident34 Ų3455.4 Ų55.417%0.17433%0.33CS..Hα-helixtrans-64.6-40.3176.7-64.4-174.2000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.48Å; L170-I174 VanDerWaalsContact CD2-CD1 3.48Å; L170-I174 HydrophobicContact CD2-CG1 4.11Å; L170-I174 WeakPolarHBondContact O-CG1 3.44Å; L170-I174 PolarHBondContact O-N 3.31Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.36Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.25Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.38Å; I174-T178 PolarHBondContact O-N 3.07Å; I174-T178 PolarHBondContact O-OG1 2.99Å; I174-I192 HydrophobicContact CG2-CG2 3.82Å; I174-I195 HydrophobicContact CD1-CG2 4.11Å; I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L196 HydrophobicContact CG2-CG 4.5Å; I174-L199 HydrophobicContact CD1-CD2 4.13Å
175G90.3Very high88.9Confident24 Ų2459.6 Ų59.625%0.24735%0.352CS..Hα-helixtrans-61.4-37174.700000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.27Å; H172-G175 PolarHBondContact O-N 3.16Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.11Å; G175-T178 WeakPolarHBondContact CA-OG1 3.31Å; G175-T178 PolarHBondContact O-OG1 3.47Å; G175-L179 PolarHBondContact O-N 2.95Å
176S89Confident88.9Confident58 Ų5864.9 Ų64.941%0.40638%0.378SS..Hα-helixtrans-70.4-35.2173.672.20000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.29Å; H172-S176 PolarHBondContact O-N 3.23Å; H172-S176 PolarHBondContact O-OG 3.36Å; L173-S176 PolarHBondContact O-N 3.29Å; L173-S176 PolarHBondContact O-OG 3.2Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.36Å; S176-L179 PolarHBondContact O-N 3.42Å; S176-A180 WeakPolarHBondContact O-CB 3.24Å; S176-A180 PolarHBondContact O-N 2.95Å
177A88.6Confident89Confident37 Ų3766.6 Ų66.631%0.30639%0.385SS..Hα-helixtrans-69.5-40.9176.100000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.93Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.25Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.49Å; A177-A180 PolarHBondContact O-N 3.05Å; A177-M181 WeakPolarHBondContact O-CB 3.32Å; A177-M181 WeakPolarHBondContact O-CG 3.41Å; A177-M181 PolarHBondContact O-N 3.47Å
178T90.8Very high89Confident19 Ų1968.2 Ų68.212%0.11740%0.395CS..Hα-helixtrans-60.9-42.6174.156.10000110.8I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.38Å; I174-T178 PolarHBondContact O-N 3.07Å; I174-T178 PolarHBondContact O-OG1 2.99Å; G175-T178 WeakPolarHBondContact CA-OG1 3.31Å; G175-T178 PolarHBondContact O-OG1 3.47Å; T178-M181 PolarHBondContact O-N 3.27Å; T178-S182 WeakPolarHBondContact O-CB 3.36Å; T178-S182 PolarHBondContact O-N 3.08Å; T178-I192 HydrophobicContact CG2-CB 3.91Å; T178-I192 HydrophobicContact CG2-CG2 3.39Å
179L90Very high89.2Confident126 Ų12667.8 Ų67.866%0.6640%0.395SS*.Hα-helixtrans-65.7-42.4178.7-165.1139.1000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 2.95Å; S176-L179 PolarHBondContact O-N 3.42Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.49Å; L179-S182 PolarHBondContact O-N 2.98Å; L179-S182 PolarHBondContact O-OG 3.38Å
180A89.1Confident89.4Confident47 Ų4771.4 Ų71.439%0.38841%0.413SS..Hα-helixtrans-63.8-45.4174.900000112.3S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.24Å; S176-A180 PolarHBondContact O-N 2.95Å; A177-A180 PolarHBondContact O-N 3.05Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.36Å; A180-T183 PolarHBondContact O-N 2.98Å; A180-T183 PolarHBondContact O-OG1 3.38Å
181M87.9Confident89.5Confident62 Ų6272.6 Ų72.631%0.30542%0.419SS..Hα-helixtrans-69.3-25.1-178.8-68.1-64.7110.800113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.32Å; A177-M181 WeakPolarHBondContact O-CG 3.41Å; A177-M181 PolarHBondContact O-N 3.47Å; T178-M181 PolarHBondContact O-N 3.27Å; M181-T183 PolarHBondContact O-N 3.47Å; M181-T183 VanDerWaalsContact O-N 3.15Å; M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 2.88Å; M181-I184 HydrophobicContact SD-CD1 4.22Å; M181-N185 PolarHBondContact O-N 2.87Å; M181-N185 VanDerWaalsContact O-N 3.11Å; M181-T189 PolarHBondContact O-OG1 3.01Å; M181-T189 VanDerWaalsContact O-OG1 3.08Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.66Å
182S87.9Confident89.7Confident65 Ų6573.2 Ų73.246%0.45542%0.423SS..Hα-helixtrans-57.2-29.5177.176.40000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.36Å; T178-S182 PolarHBondContact O-N 3.08Å; L179-S182 PolarHBondContact O-N 2.98Å; L179-S182 PolarHBondContact O-OG 3.38Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.36Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.36Å; S182-T189 PolarHBondContact N-OG1 2.74Å
183T87.8Confident89.8Confident119 Ų11974.1 Ų74.173%0.7343%0.426SS*.THydrogen-bonded Turntrans-81.3-20179.166.20000113.6A180 M181A180-T183 PolarHBondContact O-N 2.98Å; A180-T183 PolarHBondContact O-OG1 3.38Å; M181-T183 PolarHBondContact O-N 3.47Å; M181-T183 VanDerWaalsContact O-N 3.15Å
184I88.3Confident90Very high106 Ų10673.4 Ų73.454%0.54443%0.425SS..THydrogen-bonded Turntrans-97.2-61.2-173.2-56175.6000110.2M181M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 2.88Å; M181-I184 HydrophobicContact SD-CD1 4.22Å
185N87.8Confident90.2Very high94 Ų9475.8 Ų75.850%0.50344%0.437SS..  trans-146.4125.8-172.5-81.5-23.7000111.3M181 S188 T189M181-N185 PolarHBondContact O-N 2.87Å; M181-N185 VanDerWaalsContact O-N 3.11Å; N185-S188 VanDerWaalsContact CB-OG 3.29Å; N185-S188 WeakPolarHBondContact CB-OG 3.47Å; N185-S188 PolarHBondContact O-OG 3.39Å; N185-T189 PolarHBondContact O-N 3.46Å; N185-T189 PolarHBondContact O-OG1 2.87Å
186L87.8Confident90.3Very high146 Ų14676.1 Ų76.176%0.76443%0.433SS*.Hα-helixtrans-62.6-45.3177.3-162.980.1000114.4S188 T189 L190L186-S188 PolarHBondContact O-N 3.27Å; L186-T189 WeakPolarHBondContact O-CB 3.29Å; L186-T189 PolarHBondContact O-N 2.99Å; L186-L190 PolarHBondContact O-N 3.43Å; L186-L190 VanDerWaalsContact O-N 3.14Å
187P89.4Confident90.5Very high92 Ų9277.1 Ų77.160%0.59743%0.433SS*.Hα-helixtrans-68.6-37.3-174.724.7-33000113.1T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 2.85Å; P187-L190 PolarHBondContact O-N 2.97Å; P187-I191 PolarHBondContact O-N 2.9Å
188S87.4Confident90.8Very high39 Ų3981.1 Ų81.127%0.27345%0.449SS..Hα-helixtrans-66.4-35.2174.250.60000112.1N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.29Å; N185-S188 WeakPolarHBondContact CB-OG 3.47Å; N185-S188 PolarHBondContact O-OG 3.39Å; L186-S188 PolarHBondContact O-N 3.27Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.31Å; S188-I191 PolarHBondContact O-N 3.29Å; S188-I192 WeakPolarHBondContact O-CG1 3.49Å; S188-I192 PolarHBondContact O-N 2.94Å; S188-I192 VanDerWaalsContact O-N 3.11Å
189T92.2Very high90.9Very high23 Ų2381.3 Ų81.314%0.14145%0.449CS..Hα-helixtrans-62.5-41.8176-58.30000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.01Å; M181-T189 VanDerWaalsContact O-OG1 3.08Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.36Å; S182-T189 PolarHBondContact N-OG1 2.74Å; N185-T189 PolarHBondContact O-N 3.46Å; N185-T189 PolarHBondContact O-OG1 2.87Å; L186-T189 WeakPolarHBondContact O-CB 3.29Å; L186-T189 PolarHBondContact O-N 2.99Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 2.85Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 3.45Å; T189-I192 PolarHBondContact O-N 3.31Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.41Å; T189-F193 PolarHBondContact O-N 3.03Å
190L91.6Very high91Very high119 Ų11977.8 Ų77.862%0.62343%0.433SS*.Hα-helixtrans-59.5-42.3177-158.788.9000111.6L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.43Å; L186-L190 VanDerWaalsContact O-N 3.14Å; P187-L190 PolarHBondContact O-N 2.97Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.31Å; L190-F193 PolarHBondContact O-N 3.43Å; L190-T194 WeakPolarHBondContact O-CG2 3.43Å; L190-T194 PolarHBondContact O-N 3.35Å; L190-T194 PolarHBondContact O-OG1 2.61Å
191I93.2Very high91.2Very high106 Ų10680.4 Ų80.454%0.54444%0.439SS..Hα-helixtrans-64.8-44.3178.8-63.7164000111.4P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.9Å; S188-I191 PolarHBondContact O-N 3.29Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 3.45Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-N 3.1Å; I191-T194 PolarHBondContact O-OG1 2.8Å; I191-I195 HydrophobicContact CG2-CD1 4.36Å; I191-I195 WeakPolarHBondContact O-CG1 3.26Å; I191-I195 PolarHBondContact O-N 3.37Å
192I93.2Very high91.4Very high42 Ų4282.3 Ų82.322%0.21545%0.45CS..Hα-helixtrans-70.7-33.4179.7-57.4166.3000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.82Å; T178-I192 HydrophobicContact CG2-CB 3.91Å; T178-I192 HydrophobicContact CG2-CG2 3.39Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.66Å; S188-I192 WeakPolarHBondContact O-CG1 3.49Å; S188-I192 PolarHBondContact O-N 2.94Å; S188-I192 VanDerWaalsContact O-N 3.11Å; T189-I192 PolarHBondContact O-N 3.31Å; I192-I195 WeakPolarHBondContact O-CB 3.31Å; I192-I195 PolarHBondContact O-N 3Å; I192-L196 PolarHBondContact O-N 2.96Å
193F92.9Very high91.5Very high107 Ų10779.8 Ų79.847%0.46943%0.431SS..Hα-helixtrans-66.1-39175.3-174-106.1000112.7T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.41Å; T189-F193 PolarHBondContact O-N 3.03Å; L190-F193 PolarHBondContact O-N 3.43Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.95Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.22Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.38Å; F193-L196 PolarHBondContact O-N 2.87Å; F193-I197 HydrophobicContact CD1-CD1 3.88Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.11Å; F193-I197 HydrophobicContact CZ-CG1 4.45Å; F193-I197 PolarHBondContact O-N 3.19Å
194T93.8Very high91.7Very high76 Ų7678.3 Ų78.347%0.46642%0.418SS..Hα-helixtrans-64.9-37.1173.456.90000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.43Å; L190-T194 PolarHBondContact O-N 3.35Å; L190-T194 PolarHBondContact O-OG1 2.61Å; I191-T194 PolarHBondContact O-N 3.1Å; I191-T194 PolarHBondContact O-OG1 2.8Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 3.14Å; T194-L198 PolarHBondContact O-N 2.95Å
195I94.4Very high91.9Very high84 Ų8475.4 Ų75.443%0.43141%0.41SS..Hα-helixtrans-62.1-42.4172.7-65.4166.9000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.11Å; I191-I195 HydrophobicContact CG2-CD1 4.36Å; I191-I195 WeakPolarHBondContact O-CG1 3.26Å; I191-I195 PolarHBondContact O-N 3.37Å; I192-I195 WeakPolarHBondContact O-CB 3.31Å; I192-I195 PolarHBondContact O-N 3Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.22Å; I195-I197 PolarHBondContact O-N 2.97Å; I195-L198 PolarHBondContact O-N 3.35Å; I195-L199 WeakPolarHBondContact O-CB 3.27Å; I195-L199 PolarHBondContact O-N 3.41Å
196L93.5Very high92.1Very high31 Ų3172.7 Ų72.716%0.16240%0.397CS..Hα-helixtrans-59.4-45.6176.3-177.865.9000111.4I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L196 HydrophobicContact CG2-CG 4.5Å; I192-L196 PolarHBondContact O-N 2.96Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.38Å; F193-L196 PolarHBondContact O-N 2.87Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.08Å; L196-L199 WeakPolarHBondContact O-CB 3.48Å; L196-L199 PolarHBondContact O-N 2.82Å; L196-T200 WeakPolarHBondContact O-CG2 3.48Å; L196-T200 PolarHBondContact O-N 2.88Å
197I93.1Very high92.1Very high79 Ų7966 Ų6641%0.40536%0.363SS..Hα-helixtrans-60.1-47.2176.4-67.4166.7000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.88Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.11Å; F193-I197 HydrophobicContact CZ-CG1 4.45Å; F193-I197 PolarHBondContact O-N 3.19Å; T194-I197 PolarHBondContact O-N 3.14Å; I195-I197 PolarHBondContact O-N 2.97Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.97Å; I197-T200 PolarHBondContact O-N 3.48Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 2.83Å; I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.3Å; I197-I201 PolarHBondContact O-N 3.38Å; I197-I201 VanDerWaalsContact O-N 3.14Å
198L94.9Very high92.1Very high121 Ų12167 Ų6763%0.63436%0.362SS*.Hα-helixtrans-59.9-40.5179.2-175.564.6000111.8T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 2.95Å; I195-L198 PolarHBondContact O-N 3.35Å; L196-L198 PolarHBondContact O-N 3.08Å; L198-I201 PolarHBondContact O-N 3.14Å; L198-L202 PolarHBondContact O-N 3.46Å
199L93.6Very high92.3Very high23 Ų2369.8 Ų69.812%0.1237%0.373CS..Hα-helixtrans-62.9-42.7175.6-179.471.9000112.2L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.41Å; L170-L199 HydrophobicContact CD2-CD1 3.65Å; L170-L199 HydrophobicContact CD2-CD2 3.2Å; L170-L199 HydrophobicContact CD2-CG 4.03Å; L170-L199 HydrophobicContact CG-CD2 4.38Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.12Å; I174-L199 HydrophobicContact CD1-CD2 4.13Å; I195-L199 WeakPolarHBondContact O-CB 3.27Å; I195-L199 PolarHBondContact O-N 3.41Å; L196-L199 WeakPolarHBondContact O-CB 3.48Å; L196-L199 PolarHBondContact O-N 2.82Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.97Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.34Å; L199-L202 HydrophobicContact CD1-CD2 4.44Å; L199-L202 WeakPolarHBondContact O-CB 3.49Å; L199-L202 PolarHBondContact O-N 3.24Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L199-E203 PolarHBondContact O-N 3.48Å
200T91.3Very high92.2Very high52 Ų5269.2 Ų69.232%0.31937%0.368SS..Hα-helixtrans-61.5-38.8177.7610000111.9M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.96Å; L196-T200 WeakPolarHBondContact O-CG2 3.48Å; L196-T200 PolarHBondContact O-N 2.88Å; I197-T200 PolarHBondContact O-N 3.48Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 2.83Å; T200-E203 PolarHBondContact O-N 3.15Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.11Å; T200-I204 PolarHBondContact O-N 2.88Å
201I92.9Very high92.1Very high102 Ų10263.6 Ų63.652%0.52334%0.339SS..Hα-helixtrans-64.4-43.4175.5-64.3167.5000110.5I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.3Å; I197-I201 PolarHBondContact O-N 3.38Å; I197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 PolarHBondContact O-N 3.14Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.34Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3Å; I201-I204 PolarHBondContact O-N 3.16Å; I201-A205 PolarHBondContact O-N 3.44Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L92.1Very high91.9Very high102 Ų10263.5 Ų63.553%0.53433%0.333SS..Hα-helixtrans-59.5-45.5175.7179.667000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.46Å; L199-L202 HydrophobicContact CD1-CD2 4.44Å; L199-L202 WeakPolarHBondContact O-CB 3.49Å; L199-L202 PolarHBondContact O-N 3.24Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L202-I204 PolarHBondContact O-N 3.11Å; L202-A205 WeakPolarHBondContact O-CB 3.35Å; L202-A205 PolarHBondContact O-N 3.04Å; L202-A205 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.33Å; L202-V206 PolarHBondContact O-N 3.46Å
203E90.9Very high91.8Very high13 Ų1363.4 Ų63.46%0.06133%0.334CS..Hα-helixtrans-67.5-36.6-176.8-162.464.2-160.100112L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.41Å; M171-E203 HydrophobicContact CE-CG 4.17Å; L199-E203 PolarHBondContact O-N 3.48Å; T200-E203 PolarHBondContact O-N 3.15Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.17Å; E203-V206 PolarHBondContact O-N 3.48Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 3.02Å
204I91.1Very high91.5Very high88 Ų8858.3 Ų58.345%0.45131%0.312SS..Hα-helixtrans-59.4-43.1171.3-67.4164.9000110.7L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.64Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.11Å; T200-I204 PolarHBondContact O-N 2.88Å; I201-I204 PolarHBondContact O-N 3.16Å; L202-I204 PolarHBondContact O-N 3.11Å; I204-L208 PolarHBondContact O-N 2.92Å
205A92.1Very high91.3Very high44 Ų4454.7 Ų54.736%0.36429%0.289SS..Hα-helixtrans-65.6-45.6177.200000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.44Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.35Å; L202-A205 PolarHBondContact O-N 3.04Å; L202-A205 VanDerWaalsContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.17Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.13Å; A205-L208 PolarHBondContact O-N 2.65Å; A205-I209 WeakPolarHBondContact O-CB 3.24Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.46Å; A205-I209 PolarHBondContact O-N 2.77Å
206V91.8Very high91Very high38 Ų3853.2 Ų53.223%0.2328%0.282CS..Hα-helixtrans-61-42.5178172.70000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.05Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.33Å; L202-V206 PolarHBondContact O-N 3.46Å; E203-V206 PolarHBondContact O-N 3.48Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.33Å; V206-I209 PolarHBondContact O-N 2.91Å; V206-Q210 WeakPolarHBondContact O-CB 3.47Å; V206-Q210 PolarHBondContact O-N 2.9Å
207A89.6Confident90.7Very high6 Ų653.5 Ų53.55%0.0528%0.284CS..Hα-helixtrans-57.6-41.8178.200000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.91Å; N83-A207 PolarHBondContact ND2-O 3.4Å; L87-A207 HydrophobicContact CD1-CB 4.07Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 3.02Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.13Å; A207-A211 PolarHBondContact O-N 3.21Å
208L89.4Confident90.3Very high112 Ų11250 Ų5059%0.58627%0.266SS*.Hα-helixtrans-75-45.5178.8-169.3152.2000111.8I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.92Å; A205-L208 PolarHBondContact O-N 2.65Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.33Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.38Å; L208-A211 PolarHBondContact O-N 3.37Å; L208-Y212 PolarHBondContact O-N 3.47Å
209I91Very high89.9Confident98 Ų9844.5 Ų44.550%0.50324%0.238SC..Hα-helixtrans-60.3-40.6178.4-69166.8000110.4A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.24Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.46Å; A205-I209 PolarHBondContact O-N 2.77Å; V206-I209 PolarHBondContact O-N 2.91Å; I209-A211 PolarHBondContact O-N 3.46Å; I209-Y212 WeakPolarHBondContact O-CB 3.49Å; I209-Y212 PolarHBondContact O-N 2.88Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 3.42Å
210Q89.3Confident89.5Confident10 Ų1047 Ų475%0.04725%0.251CS..Hα-helixtrans-66.9-37.7-177.8-173.163.49.200112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.29Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.25Å; L160-Q210 HydrophobicContact CD1-CB 4.33Å; L160-Q210 HydrophobicContact CD1-CG 3.37Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; V206-Q210 WeakPolarHBondContact O-CB 3.47Å; V206-Q210 PolarHBondContact O-N 2.9Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.38Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.37Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 2.96Å
211A89.8Confident89Confident1 Ų145.5 Ų45.51%0.00824%0.24CC..Hα-helixtrans-62.4-40.9172.200000111.8I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.45Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 3.21Å; L208-A211 PolarHBondContact O-N 3.37Å; I209-A211 PolarHBondContact O-N 3.46Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.47Å; A211-T215 PolarHBondContact O-OG1 3.27Å
212Y89.9Confident88.5Confident104 Ų10440.7 Ų40.741%0.40822%0.215SC..Hα-helixtrans-65.6-49.8176.1176.1-100.9000112.6I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.22Å; L208-Y212 PolarHBondContact O-N 3.47Å; I209-Y212 WeakPolarHBondContact O-CB 3.49Å; I209-Y212 PolarHBondContact O-N 2.88Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.37Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.36Å; Y212-T215 PolarHBondContact O-N 3.34Å; Y212-T215 PolarHBondContact O-OG1 3.23Å; Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.39Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 2.95Å; Y212-L216 VanDerWaalsContact OH-CD1 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.46Å
213V90Very high88Confident40 Ų4039.6 Ų39.624%0.24221%0.207CC..Hα-helixtrans-62.3-38.5179.5172.40000111.2I209 L217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 3.42Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 HydrophobicContact CG1-CG 4.5Å; V213-L217 WeakPolarHBondContact O-CB 3.42Å; V213-L217 WeakPolarHBondContact O-CG 3.36Å; V213-L217 PolarHBondContact O-N 3.48Å
214F87.7Confident87.4Confident0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-57.9-52.6176.6-173.1-81.1000111.4L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.09Å; L75-F214 HydrophobicContact CD2-CD1 3.87Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CD1 4.32Å; L75-F214 HydrophobicContact CG-CE1 4.2Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.38Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.75Å; I79-F214 HydrophobicContact CD1-CZ 4.36Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.18Å; L108-F214 HydrophobicContact CD1-CE1 4.06Å; L156-F214 HydrophobicContact CD1-CD2 4.16Å; L156-F214 HydrophobicContact CD2-CD1 4.22Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 4.06Å; L156-F214 HydrophobicContact CD2-CE2 3.15Å; L156-F214 HydrophobicContact CD2-CG 3.87Å; L156-F214 HydrophobicContact CD2-CZ 3.54Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.18Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; L160-F214 HydrophobicContact CD2-CD2 4.49Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 2.96Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.36Å; F214-L217 PolarHBondContact O-N 3.48Å; F214-V218 HydrophobicContact CD1-CG2 4.44Å; F214-V218 HydrophobicContact CE1-CG2 4.23Å; F214-V218 WeakPolarHBondContact O-CG2 3.35Å; F214-V218 PolarHBondContact O-N 3.06Å
215T88.9Confident86.7Confident0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-71.8-35.9-176.852.90000112.9M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.29Å; L75-T215 HydrophobicContact CB-CG2 4.11Å; L75-T215 HydrophobicContact CD2-CG2 3.51Å; L75-T215 HydrophobicContact CG-CG2 3.76Å; I76-T215 VanDerWaalsContact CA-CG2 3.49Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.14Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.47Å; A211-T215 PolarHBondContact O-OG1 3.27Å; Y212-T215 PolarHBondContact O-N 3.34Å; Y212-T215 PolarHBondContact O-OG1 3.23Å; T215-V218 PolarHBondContact O-N 3.48Å; T215-S219 WeakPolarHBondContact O-CB 3.19Å; T215-S219 PolarHBondContact O-N 3.11Å
216L88.3Confident85.6Confident53 Ų5339.3 Ų39.328%0.27720%0.202SC..Hα-helixtrans-61.6-45.1174.7-175.6147.9000111.5Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.39Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 2.95Å; Y212-L216 VanDerWaalsContact OH-CD1 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.46Å; L216-V218 PolarHBondContact O-N 2.68Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.46Å; L216-S219 PolarHBondContact O-N 2.8Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.26Å; L216-L220 PolarHBondContact O-N 3Å
217L86.6Confident85.3Confident37 Ų3739.4 Ų39.419%0.19420%0.2CC..Hα-helixtrans-63.5-42.8178.5-76.4167.7000111.7L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.96Å; L156-L217 HydrophobicContact CD1-CD1 3.38Å; L156-L217 HydrophobicContact CD1-CG 4.3Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 HydrophobicContact CG1-CG 4.5Å; V213-L217 WeakPolarHBondContact O-CB 3.42Å; V213-L217 WeakPolarHBondContact O-CG 3.36Å; V213-L217 PolarHBondContact O-N 3.48Å; F214-L217 PolarHBondContact O-N 3.48Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.42Å; L217-L220 PolarHBondContact O-N 3.11Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.4Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 3.15Å
218V85.9Confident85Confident5 Ų541.2 Ų41.23%0.0321%0.208CC..Hα-helixtrans-59.7-40.6173178.20000111.3L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.2Å; L72-V218 HydrophobicContact CD2-CG1 3.86Å; L108-V218 HydrophobicContact CB-CG1 4.36Å; L156-V218 HydrophobicContact CD2-CG2 4.33Å; F214-V218 HydrophobicContact CD1-CG2 4.44Å; F214-V218 HydrophobicContact CE1-CG2 4.23Å; F214-V218 WeakPolarHBondContact O-CG2 3.35Å; F214-V218 PolarHBondContact O-N 3.06Å; T215-V218 PolarHBondContact O-N 3.48Å; L216-V218 PolarHBondContact O-N 2.68Å; V218-Y221 PolarHBondContact O-N 3.34Å; V218-L222 PolarHBondContact O-N 3.3Å
219S86.4Confident84.8Confident6 Ų637.2 Ų37.24%0.04219%0.187CC..Hα-helixtrans-65.8-37.8176.686.40000112.5H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.2Å; T215-S219 WeakPolarHBondContact O-CB 3.19Å; T215-S219 PolarHBondContact O-N 3.11Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.46Å; L216-S219 PolarHBondContact O-N 2.8Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.26Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.42Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.02Å; S219-H223 PolarHBondContact O-N 3.36Å
220L84.4Confident84.4Confident77 Ų7733.6 Ų33.640%0.40317%0.169SC..Hα-helixtrans-66.6-42.2176.9-171.5150.9000110.9L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3Å; L217-L220 PolarHBondContact O-N 3.11Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.14Å; L220-H223 WeakPolarHBondContact O-CA 3.44Å; L220-H223 WeakPolarHBondContact O-CB 3.49Å; L220-H223 PolarHBondContact O-N 2.99Å; L220-H223 VanDerWaalsContact O-N 3.07Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.43Å; L220-D224 PolarHBondContact O-N 3.49Å
221Y81.4Confident84.1Confident20 Ų2035.1 Ų35.18%0.07818%0.176CC..Hα-helixtrans-61.1-37.4172.3-60.7-46.4000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.36Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.36Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.26Å; Q152-Y221 PolarHBondContact NE2-OH 2.81Å; Q152-Y221 PolarHBondContact OE1-OH 3.32Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.4Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 3.15Å; V218-Y221 PolarHBondContact O-N 3.34Å; Y221-H223 VanDerWaalsContact C-N 3.33Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.27Å; Y221-N225 PolarHBondContact O-N 3.08Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 2.98Å
222L82.8Confident83.7Confident0 Ų037.4 Ų37.40%019%0.187CC..Hα-helixtrans-65-41.9174.7-174.970.4000110.7W68 L72 T112 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.49Å; W68-L222 VanDerWaalsContact CB-CD2 3.49Å; W68-L222 HydrophobicContact CD2-CD1 3.81Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CD1 4.05Å; W68-L222 HydrophobicContact CE3-CD2 4.36Å; W68-L222 HydrophobicContact CG-CD1 4.03Å; W68-L222 HydrophobicContact CG-CD2 3.69Å; L72-L222 HydrophobicContact CD1-CD2 4.47Å; T112-L222 HydrophobicContact CG2-CB 4.12Å; T112-L222 HydrophobicContact CG2-CD1 4.16Å; V218-L222 PolarHBondContact O-N 3.3Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.02Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.14Å; L222-N225 PolarHBondContact O-N 3.28Å; L222-T226 HydrophobicContact CD1-CG2 4.09Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.31Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.24Å; L222-T226 VanDerWaalsContact O-N 3.14Å; L222-T226 PolarHBondContact O-OG1 3.48Å
223H81.8Confident83.3Confident80 Ų8032.6 Ų32.637%0.3717%0.172SC..Hα-helixtrans-59.2-51.4176.4-173.885.9000111.6M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.16Å; M60-H223 PolarHBondContact O-ND1 3.31Å; S219-H223 PolarHBondContact O-N 3.36Å; L220-H223 WeakPolarHBondContact O-CA 3.44Å; L220-H223 WeakPolarHBondContact O-CB 3.49Å; L220-H223 PolarHBondContact O-N 2.99Å; L220-H223 VanDerWaalsContact O-N 3.07Å; Y221-H223 VanDerWaalsContact C-N 3.33Å; H223-N225 PolarHBondContact O-N 3.36Å; H223-T226 PolarHBondContact O-N 3.47Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.39Å
224D78.3Confident82.8Confident76 Ų7632.1 Ų32.141%0.40617%0.166SC..Hα-helixtrans-60.9-31.7-179.4-65.3-15.8000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.43Å; L220-D224 PolarHBondContact O-N 3.49Å
225N74.4Confident82.4Confident34 Ų3434.8 Ų34.818%0.18218%0.18CC..THydrogen-bonded Turntrans-91.40.7-179.8-73.9-68.3000114.4G116 S119 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.29Å; S119-N225 PolarHBondContact OG-O 3.5Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.27Å; Y221-N225 PolarHBondContact O-N 3.08Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 2.98Å; L222-N225 PolarHBondContact O-N 3.28Å; H223-N225 PolarHBondContact O-N 3.36Å
226T69.3Low81.8Confident29 Ų2937.9 Ų37.918%0.17820%0.197CC..  trans-110.40-179.155.30000114.8K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.24Å; K120-T226 VanDerWaalsContact NZ-C 3.31Å; K120-T226 PolarHBondContact NZ-O 3.44Å; K120-T226 PolarHBondContact NZ-OXT 3.22Å; K120-T226 VanDerWaalsContact NZ-OXT 3.16Å; L222-T226 HydrophobicContact CD1-CG2 4.09Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.31Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.24Å; L222-T226 VanDerWaalsContact O-N 3.14Å; L222-T226 PolarHBondContact O-OG1 3.48Å; H223-T226 PolarHBondContact O-N 3.47Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.39Å

Retrieved 226 of 226 residues in 291.9 ms (Link to these results)