A0A059RND0_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A059RND0, 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
1M56.4Low74.8Confident203 Ų20398.2 Ų98.2100%153%0.529SS*.  0-38.80-74.4176.9111.100112.6E3 N4M1-E3 PolarHBondContact O-N 2.99Å; M1-N4 PolarHBondContact O-N 3.4Å
2N54.9Low75.7Confident139 Ų13993.3 Ų93.374%0.74351%0.506SS*.Hα-helixtrans-58-40.5-177.8-86.218.7000115.5
3E62.1Low76.6Confident161 Ų16193.9 Ų93.975%0.75252%0.515SS*.Hα-helixtrans-80.3-21.3-177.6-60.5-138.1155.200114M1 L5 F6 A7M1-E3 PolarHBondContact O-N 2.99Å; E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-F6 PolarHBondContact O-N 3.45Å; E3-A7 PolarHBondContact O-N 3.17Å; E3-A7 VanDerWaalsContact O-N 3.1Å
4N75.9Confident77.4Confident116 Ų11693.7 Ų93.762%0.6252%0.518SS*.Hα-helixtrans-69-28.6-177.3-65.56.9000112M1 F6M1-N4 PolarHBondContact O-N 3.4Å; N4-F6 VanDerWaalsContact C-N 3.34Å
5L76.5Confident77.9Confident43 Ų4399.2 Ų99.223%0.22555%0.545CS..Hα-helixtrans-68.2-35.3176.7-68.7176.5000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.36Å; L5-H172 VanDerWaalsContact CD2-CE1 3.42Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.26Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.35Å; L5-L173 HydrophobicContact CD1-CD2 4.1Å; L5-L173 HydrophobicContact CD2-CD2 4.31Å
6F82.6Confident78.3Confident116 Ų11697.4 Ų97.451%0.50956%0.556SS.*Hα-helixtrans-93.5-8.9-176.9-66.8-76000113.6E3 N4 S8 F9 L169E3-F6 PolarHBondContact O-N 3.45Å; N4-F6 VanDerWaalsContact C-N 3.34Å; F6-S8 PolarHBondContact O-N 3.33Å; F6-S8 VanDerWaalsContact O-N 3.15Å; F6-F9 AromaticContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CE2 4.35Å; F6-F9 PolarHBondContact O-N 3.39Å; F6-L169 HydrophobicContact CD1-CD2 4.41Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.04Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å
7A81.1Confident78.7Confident54 Ų5499.1 Ų99.145%0.44656%0.562SS.*G310 helixtrans-55.6-32.7-179.600000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 3.17Å; E3-A7 VanDerWaalsContact O-N 3.1Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.36Å; A7-I10 PolarHBondContact O-N 3.33Å
8S80.7Confident79.1Confident54 Ų5497.9 Ų97.938%0.37856%0.559SS.*G310 helixtrans-68.6-20.8176.857.40000114.1F6 F92F6-S8 PolarHBondContact O-N 3.33Å; F6-S8 VanDerWaalsContact O-N 3.15Å; S8-F92 WeakPolarHBondContact O-CD2 3.43Å
9F83.4Confident79.5Confident24 Ų2494.2 Ų94.211%0.10554%0.541CS..G310 helixtrans-93-10.4178.3-57.9-69.6000113F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CE2 4.35Å; F6-F9 PolarHBondContact O-N 3.39Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.36Å; F9-A11 PolarHBondContact O-N 3.05Å; F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; F9-Q97 PolarHBondContact O-NE2 3.27Å; F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.1Å; F9-H168 HydrophobicContact CE1-CB 4.08Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; F9-L169 HydrophobicContact CE2-CD1 4.45Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.93Å
10I85.4Confident79.9Confident117 Ų11790.5 Ų90.560%0.652%0.522SS*.SBendtrans-69.8129.6178.2-59.4175.4000108.5A7 P12A7-I10 PolarHBondContact O-N 3.33Å; I10-P12 WeakPolarHBondContact O-CD 2.92Å
11A84.3Confident80.2Confident53 Ų5390 Ų9044%0.43852%0.521SS..PPolyproline II helixtrans-58.9120.8179.800000110.2F9 T13F9-A11 PolarHBondContact O-N 3.05Å; A11-T13 PolarHBondContact O-N 3.36Å
12P84.9Confident81.7Confident40 Ų4086.4 Ų86.426%0.2651%0.505SS..PPolyproline II helixtrans-70.7127.1-174.626.7-33.2000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 2.92Å; P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.32Å; P12-A19 WeakPolarHBondContact O-CB 3.28Å; P12-A19 PolarHBondContact O-N 3.35Å; P12-I23 HydrophobicContact CG-CD1 3.7Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.19Å; P12-F92 HydrophobicContact CG-CG 4.12Å
13T87.6Confident83.3Confident101 Ų10182.2 Ų82.262%0.6248%0.482SS*.EExtended strand (participates in β ladder)trans-117.3126.7170.354.30000108.6A11 L17A11-T13 PolarHBondContact O-N 3.36Å; T13-L17 CarbonylContact C-O 3.55Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.14Å
14V87.3Confident84.6Confident91 Ų9177 Ų7755%0.55246%0.459SS*.EExtended strand (participates in β ladder)trans-113.6122.3176.31770000106.9G16 L17 A19V14-G16 PolarHBondContact O-N 3.3Å; V14-G16 VanDerWaalsContact O-N 3.15Å; V14-L17 PolarHBondContact N-O 3.35Å; V14-L17 PolarHBondContact O-N 3.01Å; V14-A19 HydrophobicContact CG2-CB 3.99Å
15L85.9Confident85.2Confident176 Ų17677 Ų7792%0.92146%0.458SS*.THydrogen-bonded Turntrans53.933.2-179.3-65.8159.9000113.4L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.86Å
16G84.4Confident85.8Confident70 Ų7079.6 Ų79.672%0.72247%0.468SS*.THydrogen-bonded Turntrans79.5-2.5-177.700000115.4V14V14-G16 PolarHBondContact O-N 3.3Å; V14-G16 VanDerWaalsContact O-N 3.15Å
17L85.3Confident86.1Confident127 Ų12774.2 Ų74.267%0.66545%0.445SS*.EExtended strand (participates in β ladder)trans-93.7140.4173.5-66.3169.6000111.1T13 V14 L15 A19T13-L17 CarbonylContact C-O 3.55Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.14Å; V14-L17 PolarHBondContact N-O 3.35Å; V14-L17 PolarHBondContact O-N 3.01Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.86Å; L17-A19 PolarHBondContact O-N 2.93Å
18P85.9Confident86.3Confident78 Ų7875 Ų7551%0.50645%0.445SS..EExtended strand (participates in β ladder)trans-71.4102.1177.729.1-33.4000110.6A20 V21P18-A20 PolarHBondContact O-N 2.92Å; P18-V21 HydrophobicContact CB-CG2 4.48Å; P18-V21 HydrophobicContact CG-CG2 4.22Å; P18-V21 PolarHBondContact O-N 3.13Å
19A86.9Confident86.7Confident27 Ų2778.9 Ų78.922%0.22346%0.461CS..THydrogen-bonded Turntrans-68.3-17.3176.800000112.3P12 V14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.32Å; P12-A19 WeakPolarHBondContact O-CB 3.28Å; P12-A19 PolarHBondContact O-N 3.35Å; V14-A19 HydrophobicContact CG2-CB 3.99Å; L17-A19 PolarHBondContact O-N 2.93Å; A19-V21 PolarHBondContact O-N 3.45Å; A19-L22 PolarHBondContact O-N 3.43Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 3Å
20A86.6Confident87Confident19 Ų1981.7 Ų81.716%0.15748%0.476CS..Hα-helixtrans-53.6-33.3173.900000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.92Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.26Å; A20-I23 PolarHBondContact O-N 3.1Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.5Å; A20-I24 PolarHBondContact O-N 3.31Å; A20-F92 HydrophobicContact CB-CE1 4.31Å
21V86.1Confident87.1Confident81 Ų8178.5 Ų78.549%0.49146%0.46SS..Hα-helixtrans-63.3-42178.5-1800000111.1P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.48Å; P18-V21 HydrophobicContact CG-CG2 4.22Å; P18-V21 PolarHBondContact O-N 3.13Å; A19-V21 PolarHBondContact O-N 3.45Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 2.97Å; V21-I24 PolarHBondContact O-N 2.96Å; V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.15Å; V21-L25 PolarHBondContact O-N 3.09Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86.9Confident87.2Confident127 Ų12778.5 Ų78.567%0.66546%0.456SS*.Hα-helixtrans-66.2-37.9178.7-168.7143.2000111.2A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.43Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.26Å; L22-L25 PolarHBondContact O-N 3.24Å; L22-F26 PolarHBondContact O-N 2.97Å
23I88.9Confident87.4Confident52 Ų5282.9 Ų82.927%0.26748%0.482SS..Hα-helixtrans-66.4-41.4176.9-58.9172.4000110.8P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.7Å; A19-I23 PolarHBondContact O-N 3Å; A20-I23 PolarHBondContact O-N 3.1Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 2.97Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.05Å; I23-F26 WeakPolarHBondContact O-CB 3.4Å; I23-F26 PolarHBondContact O-N 3.45Å; I23-P27 VanDerWaalsContact O-CD 3.28Å; I23-P27 WeakPolarHBondContact O-CD 3.38Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.32Å; I23-F92 HydrophobicContact CG2-CD1 4.45Å
24I89.2Confident87.4Confident52 Ų5279.9 Ų79.927%0.26747%0.465SS..Hα-helixtrans-65.4-32.6176.9-68.7164000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.5Å; A20-I24 PolarHBondContact O-N 3.31Å; V21-I24 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.39Å; I24-F78 HydrophobicContact CG2-CZ 4.32Å; I24-P94 HydrophobicContact CD1-CB 4.25Å; I24-P94 HydrophobicContact CG1-CB 3.69Å; I24-P94 HydrophobicContact CG1-CG 4.04Å; I24-M100 HydrophobicContact CG2-CE 4.48Å
25L88.6Confident87.3Confident116 Ų11685.6 Ų85.661%0.60748%0.483SS*.Hα-helixtrans-81.3-10.8178.6-71.8172.4000114.1V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.15Å; V21-L25 PolarHBondContact O-N 3.09Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.24Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.05Å; L25-P28 WeakPolarHBondContact O-CD 3.39Å
26F89.8Confident87.4Confident96 Ų9686.2 Ų86.242%0.42147%0.474SS..Hα-helixtrans-71-43.2-177-170.2-98.5000115L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 2.97Å; I23-F26 WeakPolarHBondContact O-CB 3.4Å; I23-F26 PolarHBondContact O-N 3.45Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.15Å; F26-L29 PolarHBondContact O-N 2.73Å; F26-L30 HydrophobicContact CD1-CD1 4.35Å; F26-L30 HydrophobicContact CE1-CD1 4.04Å; F26-L30 HydrophobicContact CE1-CD2 4.19Å; F26-L30 HydrophobicContact CE1-CG 4.19Å; F26-L30 HydrophobicContact CZ-CD2 4.38Å; F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.51Å
27P89.4Confident87.1Confident4 Ų491.1 Ų91.13%0.02648%0.483CS..Hα-helixtrans-56.8-42.4179.9-12.716.8000115.2I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.28Å; I23-P27 WeakPolarHBondContact O-CD 3.38Å; I24-P27 WeakPolarHBondContact O-CD 3.39Å; P27-L29 PolarHBondContact O-N 3.35Å; P27-L30 WeakPolarHBondContact O-CB 3.2Å; P27-L30 PolarHBondContact O-N 3.41Å; P27-L30 VanDerWaalsContact O-N 3.1Å; P27-T81 WeakPolarHBondContact CB-OG1 3.39Å; P27-T82 HydrophobicContact CB-CG2 4.21Å; P27-T82 HydrophobicContact CG-CG2 3.43Å; P27-T82 VanDerWaalsContact CG-CG2 3.43Å
28P85.7Confident87.2Confident71 Ų7192.4 Ų92.446%0.46149%0.489SS..Hα-helixtrans-56.2-32.5173.5-26.933.2000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.39Å; P28-L30 PolarHBondContact O-N 2.85Å; P28-I31 PolarHBondContact O-N 3.44Å
29L88.9Confident87.5Confident135 Ų13590 Ų9071%0.70747%0.471SS*.Hα-helixtrans-67.9-26.2179.4-173.465.1000112.4F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.15Å; F26-L29 PolarHBondContact O-N 2.73Å; P27-L29 PolarHBondContact O-N 3.35Å; L29-I31 PolarHBondContact O-N 3.26Å
30L88.4Confident87.6Confident82 Ų8294.2 Ų94.243%0.42949%0.49SS..THydrogen-bonded Turntrans-74.8-5.8178.8-65.6175.1000113.8F26 P27 P28 P32 L85F26-L30 HydrophobicContact CD1-CD1 4.35Å; F26-L30 HydrophobicContact CE1-CD1 4.04Å; F26-L30 HydrophobicContact CE1-CD2 4.19Å; F26-L30 HydrophobicContact CE1-CG 4.19Å; F26-L30 HydrophobicContact CZ-CD2 4.38Å; P27-L30 WeakPolarHBondContact O-CB 3.2Å; P27-L30 PolarHBondContact O-N 3.41Å; P27-L30 VanDerWaalsContact O-N 3.1Å; P28-L30 PolarHBondContact O-N 2.85Å; L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.38Å; L30-L85 HydrophobicContact CD1-CD1 3.43Å; L30-L85 VanDerWaalsContact CD1-CD1 3.43Å; L30-L85 HydrophobicContact CD1-CD2 3.87Å; L30-L85 HydrophobicContact CD1-CG 4.13Å
31I88.4Confident87.8Confident50 Ų50103.3 Ų103.326%0.25652%0.521SS..SBendtrans-109.579.3-174.4-58170.6000107.9P28 L29 I77P28-I31 PolarHBondContact O-N 3.44Å; L29-I31 PolarHBondContact O-N 3.26Å; I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.48Å
32P87.1Confident88Confident54 Ų54104 Ų10435%0.35152%0.521SS..  trans-68.1140.2-178.928.3-34.8000111L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.38Å; P32-L42 HydrophobicContact CG-CD2 3.73Å; P32-I43 HydrophobicContact CB-CD1 4.47Å; P32-I43 HydrophobicContact CB-CG1 4.49Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.98Å
33T87.2Confident88.2Confident132 Ų13298.7 Ų98.781%0.8149%0.493SS*.  trans-107.6135.2170.660.30000109.9
34S87.6Confident88.4Confident38 Ų3899.2 Ų99.227%0.26650%0.499SS..  trans-118.3151.4171.656.50000111.6N39S34-N39 WeakPolarHBondContact CB-OD1 3.39Å; S34-N39 PolarHBondContact OG-ND2 2.94Å; S34-N39 PolarHBondContact OG-OD1 3.38Å
35K86.4Confident88.5Confident211 Ų211100.8 Ų100.892%0.91751%0.511SS*.  trans-89-11.2177.4-61.9-179.5-178.7178.20113.2
36Y87.3Confident88.6Confident188 Ų18897.1 Ų97.174%0.73749%0.491SS*.SBendtrans-83.5152.5-174.4-60.1-72.9000112N39Y36-N39 VanDerWaalsContact O-CG 3.28Å; Y36-N39 PolarHBondContact O-ND2 3.26Å; Y36-N39 VanDerWaalsContact O-ND2 3.1Å; Y36-N39 PolarHBondContact O-OD1 3.49Å
37L79.6Confident88.7Confident174 Ų17497 Ų9791%0.91149%0.492SS*.SBendtrans-71.9-40.7176.8-17471.7000111.4
38I87.2Confident88.8Confident154 Ų154104.8 Ų104.879%0.7952%0.521SS*.SBendtrans-101.1116174.8-58.2170.4000107.2
39N90.6Very high89.1Confident26 Ų26105.9 Ų105.914%0.13952%0.522CS..  trans-113.4169.5-172.5-69-35000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.39Å; S34-N39 PolarHBondContact OG-ND2 2.94Å; S34-N39 PolarHBondContact OG-OD1 3.38Å; Y36-N39 VanDerWaalsContact O-CG 3.28Å; Y36-N39 PolarHBondContact O-ND2 3.26Å; Y36-N39 VanDerWaalsContact O-ND2 3.1Å; Y36-N39 PolarHBondContact O-OD1 3.49Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.78Å; N39-T44 HydrophobicContact CB-CG2 4.15Å; N39-Q47 PolarHBondContact ND2-NE2 3Å
40N90.5Very high89.2Confident116 Ų116101.9 Ų101.962%0.6250%0.501SS*.  trans-63.4153.7172.4-164.71.8000111L42 I43 T44N40-L42 PolarHBondContact O-N 3.43Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 PolarHBondContact O-N 3Å; N40-T44 PolarHBondContact O-N 2.89Å
41R90Very high89.4Confident211 Ų211105.2 Ų105.280%0.79651%0.512SS*.Hα-helixtrans-52.1-37.4-177.6-64.3-177.7-179.2-179.40.5113.2T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.28Å; R41-T44 PolarHBondContact O-N 3.15Å; R41-T44 PolarHBondContact O-OG1 3.28Å; R41-T45 WeakPolarHBondContact O-CG2 3.09Å; R41-T45 PolarHBondContact O-N 3.31Å; R41-T45 PolarHBondContact O-OG1 3.46Å
42L90.1Very high89.6Confident94 Ų94106.1 Ų106.149%0.49252%0.517SS..Hα-helixtrans-66-42.7178-171.4156.4000111.8P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.73Å; N40-L42 PolarHBondContact O-N 3.43Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T44 VanDerWaalsContact C-N 3.35Å; L42-T45 PolarHBondContact O-OG1 3.1Å; L42-Q46 VanDerWaalsContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CB 3.26Å; L42-Q46 PolarHBondContact O-N 3.3Å
43I91.9Very high89.7Confident17 Ų17104.6 Ų104.69%0.08751%0.507CS..Hα-helixtrans-70.7-36.1-179.7-63168.9000110P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.47Å; P32-I43 HydrophobicContact CB-CG1 4.49Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.98Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.78Å; N40-I43 PolarHBondContact O-N 3Å; I43-Q46 PolarHBondContact O-N 3.12Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.32Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.31Å; I43-Q47 PolarHBondContact O-N 3.17Å
44T91.6Very high89.8Confident63 Ų6399.8 Ų99.839%0.38748%0.478SS..Hα-helixtrans-68.1-41177.259.90000112.2N39 N40 R41 L42 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.15Å; N40-T44 PolarHBondContact O-N 2.89Å; R41-T44 WeakPolarHBondContact CA-OG1 3.28Å; R41-T44 PolarHBondContact O-N 3.15Å; R41-T44 PolarHBondContact O-OG1 3.28Å; L42-T44 VanDerWaalsContact C-N 3.35Å; T44-Q47 PolarHBondContact O-N 3.33Å; T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.44Å; T44-W48 PolarHBondContact O-N 3.3Å
45T91.6Very high89.9Confident85 Ų85105.1 Ų105.152%0.52150%0.497SS..Hα-helixtrans-66.3-39.7174.456.30000111.7R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.09Å; R41-T45 PolarHBondContact O-N 3.31Å; R41-T45 PolarHBondContact O-OG1 3.46Å; L42-T45 PolarHBondContact O-OG1 3.1Å; T45-W48 PolarHBondContact O-N 3.03Å; T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 PolarHBondContact O-N 3.39Å
46Q91.5Very high89.9Confident39 Ų39100.9 Ų100.918%0.18248%0.48CS..Hα-helixtrans-61.2-49.9174.1-177.3-166.7-47.400111.7L42 I43 W48 L49 I50L42-Q46 VanDerWaalsContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CB 3.26Å; L42-Q46 PolarHBondContact O-N 3.3Å; I43-Q46 PolarHBondContact O-N 3.12Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.13Å; Q46-L49 PolarHBondContact O-N 3.27Å; Q46-I50 HydrophobicContact CG-CD1 3.93Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.41Å; Q46-I50 PolarHBondContact O-N 3.42Å
47Q90.9Very high89.8Confident94 Ų9492.6 Ų92.644%0.43945%0.448SS..Hα-helixtrans-61.1-38.5178-75.3175.5-10.100111.8N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.32Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.31Å; I43-Q47 PolarHBondContact O-N 3.17Å; T44-Q47 PolarHBondContact O-N 3.33Å; Q47-K51 WeakPolarHBondContact O-CB 3.46Å; Q47-K51 PolarHBondContact O-N 2.94Å
48W92.8Very high90.1Very high167 Ų16785.2 Ų85.263%0.63341%0.409SS*.Hα-helixtrans-63.2-45.3174.9179.583.8000112T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.44Å; T44-W48 PolarHBondContact O-N 3.3Å; T45-W48 PolarHBondContact O-N 3.03Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.13Å; W48-K51 PolarHBondContact O-N 3.49Å; W48-L52 HydrophobicContact CD2-CD1 3.75Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 VanDerWaalsContact CE2-CD1 3.45Å; W48-L52 HydrophobicContact CE3-CD1 3.84Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.32Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.68Å; W48-L52 WeakPolarHBondContact O-CG 3.48Å; W48-L52 PolarHBondContact O-N 3.07Å
49L91.4Very high90.1Very high94 Ų9481.8 Ų81.849%0.49240%0.396SS..Hα-helixtrans-64.2-43178-166146000111.9T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 PolarHBondContact O-N 3.39Å; Q46-L49 PolarHBondContact O-N 3.27Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.83Å; L49-L52 PolarHBondContact O-N 3.43Å; L49-T53 HydrophobicContact CD2-CG2 4.12Å; L49-T53 WeakPolarHBondContact O-CG2 3.25Å; L49-T53 PolarHBondContact O-N 3.02Å; L49-T53 PolarHBondContact O-OG1 3.22Å
50I92.1Very high89.5Confident50 Ų5087 Ų8726%0.25642%0.421SS..Hα-helixtrans-61.2-42.6174.7-67.4172.1000111.1Q46 L52 T53 S54 V73 I77Q46-I50 HydrophobicContact CG-CD1 3.93Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.41Å; Q46-I50 PolarHBondContact O-N 3.42Å; I50-L52 PolarHBondContact O-N 3.18Å; I50-T53 WeakPolarHBondContact CA-OG1 3.17Å; I50-T53 PolarHBondContact O-OG1 3.41Å; I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.2Å; I50-S54 PolarHBondContact O-N 3.44Å; I50-S54 PolarHBondContact O-OG 3.25Å; I50-V73 HydrophobicContact CG2-CG1 3.89Å; I50-I77 HydrophobicContact CD1-CD1 3.99Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å
51K91.8Very high89.2Confident153 Ų15381.7 Ų81.767%0.66539%0.392SS*.Hα-helixtrans-64.8-40.1178.3-174.7176.6-179.9178.40112.1Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.46Å; Q47-K51 PolarHBondContact O-N 2.94Å; W48-K51 PolarHBondContact O-N 3.49Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.83Å; K51-S54 PolarHBondContact O-OG 2.79Å; K51-S54 VanDerWaalsContact O-OG 3.1Å; K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.49Å; K51-K55 PolarHBondContact O-N 2.86Å
52L92.1Very high88.8Confident68 Ų6876.8 Ų76.836%0.35638%0.382SS..Hα-helixtrans-67.1-51178-75.2178.3000112.3W48 L49 I50 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.75Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 VanDerWaalsContact CE2-CD1 3.45Å; W48-L52 HydrophobicContact CE3-CD1 3.84Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.32Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.68Å; W48-L52 WeakPolarHBondContact O-CG 3.48Å; W48-L52 PolarHBondContact O-N 3.07Å; L49-L52 PolarHBondContact O-N 3.43Å; I50-L52 PolarHBondContact O-N 3.18Å; L52-K55 PolarHBondContact O-N 2.95Å; L52-Q56 WeakPolarHBondContact O-CG 3Å; L52-Q56 PolarHBondContact O-N 3.1Å
53T89Confident88.3Confident23 Ų2377.9 Ų77.914%0.14139%0.393CS..Hα-helixtrans-60.8-46.9-179.850.40000111.7L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.12Å; L49-T53 WeakPolarHBondContact O-CG2 3.25Å; L49-T53 PolarHBondContact O-N 3.02Å; L49-T53 PolarHBondContact O-OG1 3.22Å; I50-T53 WeakPolarHBondContact CA-OG1 3.17Å; I50-T53 PolarHBondContact O-OG1 3.41Å; T53-K55 PolarHBondContact O-N 3.47Å; T53-Q56 PolarHBondContact O-N 3.37Å; T53-M57 WeakPolarHBondContact O-CG 3.45Å; T53-M57 PolarHBondContact O-N 3.13Å
54S89.9Confident87.8Confident30 Ų3083.1 Ų83.121%0.2142%0.415CS..Hα-helixtrans-61.5-43.6176.259.20000111.8I50 K51 Q56 M57 M58I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.2Å; I50-S54 PolarHBondContact O-N 3.44Å; I50-S54 PolarHBondContact O-OG 3.25Å; K51-S54 PolarHBondContact O-OG 2.79Å; K51-S54 VanDerWaalsContact O-OG 3.1Å; S54-Q56 PolarHBondContact O-N 3.13Å; S54-M57 PolarHBondContact O-N 3.26Å; S54-M58 WeakPolarHBondContact O-CB 3.41Å; S54-M58 PolarHBondContact O-N 3.35Å
55K89.4Confident87.2Confident151 Ų15180.1 Ų80.166%0.65740%0.396SS*.Hα-helixtrans-60.5-44.8176.7-174.2179.4178.7-1750111.8K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.49Å; K51-K55 PolarHBondContact O-N 2.86Å; L52-K55 PolarHBondContact O-N 2.95Å; T53-K55 PolarHBondContact O-N 3.47Å; K55-T59 WeakPolarHBondContact O-CG2 3.21Å; K55-T59 PolarHBondContact O-N 3.12Å
56Q87.2Confident86.8Confident122 Ų12282.6 Ų82.657%0.5740%0.396SS*.Hα-helixtrans-69.1-40.6-178.5-74.6-179.6-28.100112.9L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3Å; L52-Q56 PolarHBondContact O-N 3.1Å; T53-Q56 PolarHBondContact O-N 3.37Å; S54-Q56 PolarHBondContact O-N 3.13Å; Q56-T59 PolarHBondContact O-OG1 2.73Å
57M85.4Confident86.6Confident13 Ų1385.6 Ų85.66%0.06442%0.417CS..Hα-helixtrans-72.8-36.7179.3-70.9-171.2167.600112.7T53 S54 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.45Å; T53-M57 PolarHBondContact O-N 3.13Å; S54-M57 PolarHBondContact O-N 3.26Å; M57-T59 PolarHBondContact O-N 2.92Å; M57-H61 PolarHBondContact O-ND1 3.24Å; M57-L72 HydrophobicContact SD-CB 4.44Å; M57-I76 HydrophobicContact CE-CD1 3.72Å; M57-Y212 HydrophobicContact CE-CD2 4.28Å; M57-Y212 HydrophobicContact CE-CE2 4.41Å; M57-T215 WeakPolarHBondContact CE-OG1 3.38Å
58M85.9Confident86.4Confident19 Ų1983.3 Ų83.39%0.09440%0.404CS..Hα-helixtrans-83.4-8-174.7-115.265.457.400115.1S54 M60 H61 R66 S69S54-M58 WeakPolarHBondContact O-CB 3.41Å; S54-M58 PolarHBondContact O-N 3.35Å; M58-M60 PolarHBondContact O-N 3.16Å; M58-H61 PolarHBondContact O-N 3.2Å; M58-R66 HydrophobicContact CG-CB 4.31Å; M58-R66 HydrophobicContact CG-CG 3.61Å; M58-S69 WeakPolarHBondContact CE-OG 3.38Å
59T85.4Confident86.2Confident83 Ų8377.1 Ų77.151%0.50939%0.387SS..THydrogen-bonded Turntrans-62-33.9174.952.60000111.9K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.21Å; K55-T59 PolarHBondContact O-N 3.12Å; Q56-T59 PolarHBondContact O-OG1 2.73Å; M57-T59 PolarHBondContact O-N 2.92Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.37Å
60M78.5Confident86.2Confident134 Ų13479.5 Ų79.566%0.6640%0.399SS*.THydrogen-bonded Turntrans-79.4-10.9-179.1-58.9-63.9142.300113.3M58 H223M58-M60 PolarHBondContact O-N 3.16Å; M60-H223 PolarHBondContact O-CE1 2.97Å; M60-H223 PolarHBondContact O-ND1 3.41Å
61H83.6Confident86.2Confident5 Ų580.3 Ų80.32%0.02340%0.403CS..  trans-108.2138.8-168-70.479000113.9M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.24Å; M58-H61 PolarHBondContact O-N 3.2Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.37Å; H61-R66 PolarHBondContact O-NE 2.95Å; H61-S219 PolarHBondContact NE2-O 2.82Å
62N81.5Confident86.2Confident109 Ų10973 Ų7358%0.58337%0.371SS*.  trans-71170.8168.6-84-19.6000112.5K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.26Å; N62-K64 PolarHBondContact O-N 3.37Å; N62-K64 VanDerWaalsContact O-N 3.17Å; N62-G65 PolarHBondContact O-N 3.15Å; N62-R66 WeakPolarHBondContact O-CG 3.31Å; N62-R66 PolarHBondContact O-N 2.95Å
63T81.2Confident86.2Confident117 Ų11770.5 Ų70.572%0.71836%0.359SS*.THydrogen-bonded Turntrans-54-36.8-176.253.70000114.1
64K79.8Confident86.3Confident126 Ų12672.5 Ų72.555%0.54837%0.374SS..THydrogen-bonded Turntrans-68.5-45.1174.4-68.9-176.5-177.8176.60112.2N62 R66 T67 M115N62-K64 VanDerWaalsContact C-N 3.26Å; N62-K64 PolarHBondContact O-N 3.37Å; N62-K64 VanDerWaalsContact O-N 3.17Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.05Å; K64-T67 WeakPolarHBondContact O-CB 3.37Å; K64-T67 PolarHBondContact O-N 2.91Å; K64-T67 PolarHBondContact O-OG1 3.2Å; K64-M115 HydrophobicContact CB-CE 4.43Å
65G79.3Confident86.4Confident0 Ų071.9 Ų71.90%037%0.368CS..G310 helixtrans-63.7-31.8176.700000113N62 T67 W68N62-G65 PolarHBondContact O-N 3.15Å; G65-T67 PolarHBondContact O-N 3.38Å; G65-T67 VanDerWaalsContact O-N 3.13Å; G65-W68 WeakPolarHBondContact O-CB 3.42Å; G65-W68 PolarHBondContact O-N 3.47Å
66R84.4Confident86.5Confident138 Ų13865.5 Ų65.552%0.52134%0.341SS..G310 helixtrans-59.7-23.1174.9-74.1178.5-179.6-165.80.9114M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CG-CB 4.31Å; M58-R66 HydrophobicContact CG-CG 3.61Å; H61-R66 PolarHBondContact O-NE 2.95Å; N62-R66 WeakPolarHBondContact O-CG 3.31Å; N62-R66 PolarHBondContact O-N 2.95Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.05Å; R66-W68 PolarHBondContact O-N 3.11Å; R66-S69 WeakPolarHBondContact O-CB 3.33Å; R66-S69 PolarHBondContact O-N 3.39Å; R66-S69 VanDerWaalsContact O-N 3.12Å
67T87Confident86.7Confident101 Ų10161.3 Ų61.362%0.6232%0.322SS*.G310 helixtrans-64.3-25.517663.20000112.6K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.37Å; K64-T67 PolarHBondContact O-N 2.91Å; K64-T67 PolarHBondContact O-OG1 3.2Å; G65-T67 PolarHBondContact O-N 3.38Å; G65-T67 VanDerWaalsContact O-N 3.13Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.25Å
68W87.7Confident87Confident46 Ų4662.9 Ų62.917%0.17433%0.328CS..G310 helixtrans-84.70.9177.2-75.154000113.6G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.42Å; G65-W68 PolarHBondContact O-N 3.47Å; R66-W68 PolarHBondContact O-N 3.11Å; W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.46Å; W68-M71 HydrophobicContact CD2-CE 3.66Å; W68-M71 HydrophobicContact CE3-CE 2.95Å; W68-M71 HydrophobicContact CH2-CE 3.59Å; W68-M71 HydrophobicContact CZ2-CE 4.24Å; W68-M71 HydrophobicContact CZ3-CE 2.93Å; W68-M71 PolarHBondContact O-N 3.07Å; W68-L72 PolarHBondContact O-N 3.32Å; W68-M115 HydrophobicContact CZ2-SD 4.09Å; W68-M115 PolarHBondContact NE1-SD 3.44Å; W68-L222 HydrophobicContact CB-CD2 3.46Å; W68-L222 VanDerWaalsContact CB-CD2 3.46Å; W68-L222 HydrophobicContact CD2-CD1 3.76Å; W68-L222 HydrophobicContact CD2-CD2 4.01Å; W68-L222 HydrophobicContact CE3-CD1 3.96Å; W68-L222 HydrophobicContact CE3-CD2 4.24Å; W68-L222 HydrophobicContact CG-CD1 4.05Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CZ3-CD1 4.45Å
69S88.5Confident87.3Confident37 Ų3762 Ų6226%0.25932%0.324SS..Hα-helixtrans-49.5-49-179.7168.60000112.6M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact CE-OG 3.38Å; R66-S69 WeakPolarHBondContact O-CB 3.33Å; R66-S69 PolarHBondContact O-N 3.39Å; R66-S69 VanDerWaalsContact O-N 3.12Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.25Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.38Å; S69-L72 PolarHBondContact O-N 3.35Å; S69-V73 WeakPolarHBondContact O-CB 3.4Å; S69-V73 VanDerWaalsContact O-CG2 3.26Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.05Å
70L91.3Very high87.6Confident145 Ų14559.4 Ų59.476%0.75931%0.311SS*.Hα-helixtrans-58.6-43.8-178.8-169.296.3000111.2W68 S74W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.46Å; L70-S74 WeakPolarHBondContact O-CB 3.41Å; L70-S74 PolarHBondContact O-N 2.64Å; L70-S74 PolarHBondContact O-OG 3.43Å
71M91.6Very high88.2Confident66 Ų6654.5 Ų54.533%0.32529%0.289SS..Hα-helixtrans-67.5-47.9-178-173.815864.100111.5W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.66Å; W68-M71 HydrophobicContact CE3-CE 2.95Å; W68-M71 HydrophobicContact CH2-CE 3.59Å; W68-M71 HydrophobicContact CZ2-CE 4.24Å; W68-M71 HydrophobicContact CZ3-CE 2.93Å; W68-M71 PolarHBondContact O-N 3.07Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.38Å; M71-V73 VanDerWaalsContact C-N 3.31Å; M71-V73 PolarHBondContact O-N 3.45Å; M71-S74 WeakPolarHBondContact CA-OG 3.33Å; M71-S74 PolarHBondContact O-N 3.13Å; M71-S74 PolarHBondContact O-OG 2.92Å; M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.21Å; M71-L75 PolarHBondContact O-N 2.89Å; M71-L108 HydrophobicContact CE-CD2 3.68Å; M71-L108 HydrophobicContact CG-CD2 3.98Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å
72L91.1Very high88.6Confident0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-59.9-41.9178.7-67.9173.9000112M57 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.44Å; W68-L72 PolarHBondContact O-N 3.32Å; S69-L72 PolarHBondContact O-N 3.35Å; L72-L75 PolarHBondContact O-N 3.37Å; L72-I76 PolarHBondContact O-N 3.3Å; L72-I76 VanDerWaalsContact O-N 3.07Å; L72-V218 HydrophobicContact CD2-CB 4.3Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å
73V91.9Very high89Confident16 Ų1649.3 Ų49.310%0.09726%0.261CS..Hα-helixtrans-67.9-42.7177.6172.80000111.2I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.89Å; S69-V73 WeakPolarHBondContact O-CB 3.4Å; S69-V73 VanDerWaalsContact O-CG2 3.26Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.05Å; M71-V73 VanDerWaalsContact C-N 3.31Å; M71-V73 PolarHBondContact O-N 3.45Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 2.95Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.34Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 VanDerWaalsContact O-CD1 3.31Å; V73-I77 WeakPolarHBondContact O-CD1 3.4Å; V73-I77 WeakPolarHBondContact O-CG1 3.41Å; V73-I77 PolarHBondContact O-N 2.79Å
74S91.9Very high89.5Confident65 Ų6548.2 Ų48.246%0.45525%0.251SS..Hα-helixtrans-63.1-38.2176.569.90000112.1L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.41Å; L70-S74 PolarHBondContact O-N 2.64Å; L70-S74 PolarHBondContact O-OG 3.43Å; M71-S74 WeakPolarHBondContact CA-OG 3.33Å; M71-S74 PolarHBondContact O-N 3.13Å; M71-S74 PolarHBondContact O-OG 2.92Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.26Å; S74-F78 PolarHBondContact O-N 3.19Å
75L91.3Very high90Very high17 Ų1744 Ų449%0.08923%0.234CC..Hα-helixtrans-66-48.2-179.5-175.277.8000111.9M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.21Å; M71-L75 PolarHBondContact O-N 2.89Å; L72-L75 PolarHBondContact O-N 3.37Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 2.95Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.01Å; L75-F78 PolarHBondContact O-N 3.17Å; L75-I79 HydrophobicContact CD1-CD1 4.05Å; L75-I79 HydrophobicContact CG-CD1 3.92Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 2.94Å; L75-L108 HydrophobicContact CD1-CD1 3.47Å; L75-L108 VanDerWaalsContact CD1-CD1 3.47Å; L75-L108 HydrophobicContact CD2-CD1 3.75Å; L75-L108 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CD1-CE1 4.07Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CG-CE1 4.18Å; L75-T215 HydrophobicContact CB-CG2 4.07Å; L75-T215 HydrophobicContact CD2-CG2 3.5Å; L75-T215 HydrophobicContact CG-CG2 3.74Å
76I91.8Very high90.3Very high17 Ų1744 Ų449%0.08723%0.234CC..Hα-helixtrans-63.7-41.2-179.8-168.7168.9000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 3.72Å; L72-I76 PolarHBondContact O-N 3.3Å; L72-I76 VanDerWaalsContact O-N 3.07Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.34Å; I76-A80 WeakPolarHBondContact O-CB 3.39Å; I76-A80 PolarHBondContact O-N 3.14Å; I76-A211 HydrophobicContact CG1-CB 4.44Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; I76-T215 VanDerWaalsContact CA-CG2 3.49Å; I76-T215 HydrophobicContact CB-CG2 3.51Å; I76-T215 HydrophobicContact CG1-CG2 4.15Å
77I92.1Very high90.5Very high34 Ų3439.2 Ų39.217%0.17422%0.219CC..Hα-helixtrans-66.8-42.5178.9-63.2165.7000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.48Å; I50-I77 HydrophobicContact CD1-CD1 3.99Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 VanDerWaalsContact O-CD1 3.31Å; V73-I77 WeakPolarHBondContact O-CD1 3.4Å; V73-I77 WeakPolarHBondContact O-CG1 3.41Å; V73-I77 PolarHBondContact O-N 2.79Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.01Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.32Å; I77-T81 PolarHBondContact O-N 3.31Å; I77-T81 PolarHBondContact O-OG1 3.22Å
78F91.6Very high90.5Very high45 Ų4539.2 Ų39.220%0.19721%0.214CC..Hα-helixtrans-63.1-49178.7179.8-102.9000112.4I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.32Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.26Å; S74-F78 PolarHBondContact O-N 3.19Å; L75-F78 PolarHBondContact O-N 3.17Å; F78-T81 PolarHBondContact O-OG1 3.34Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; F78-T82 HydrophobicContact CD2-CG2 4.29Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 3.89Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CB 3.23Å; F78-T82 WeakPolarHBondContact O-CG2 3.32Å; F78-T82 PolarHBondContact O-N 3.18Å; F78-T82 PolarHBondContact O-OG1 3.42Å; F78-M100 HydrophobicContact CE1-CE 3.8Å; F78-M100 HydrophobicContact CZ-CE 3.85Å; F78-M104 HydrophobicContact CD1-SD 3.94Å; F78-M104 HydrophobicContact CE1-CE 4.46Å; F78-M104 HydrophobicContact CE1-SD 3.63Å
79I91.6Very high90.3Very high0 Ų042.3 Ų42.30%024%0.241CC..Hα-helixtrans-68-42.1-179.6-60.2169.4000110.5L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.05Å; L75-I79 HydrophobicContact CG-CD1 3.92Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 2.94Å; I79-T81 PolarHBondContact O-N 3.23Å; I79-T82 WeakPolarHBondContact CA-OG1 3.5Å; I79-T82 PolarHBondContact O-OG1 2.96Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.29Å; I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.47Å; I79-N83 PolarHBondContact O-N 3.18Å; I79-N83 PolarHBondContact O-ND2 3.37Å; I79-N83 PolarHBondContact O-OD1 2.89Å; I79-L160 HydrophobicContact CG2-CD1 4.05Å; I79-L160 HydrophobicContact CG2-CD2 4.13Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.31Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.72Å; I79-F214 HydrophobicContact CD1-CZ 4.32Å
80A91.3Very high90Very high30 Ų3050.2 Ų50.225%0.24827%0.273CS..Hα-helixtrans-63.2-44.317900000112I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.39Å; I76-A80 PolarHBondContact O-N 3.14Å; A80-L84 VanDerWaalsContact O-CB 3.22Å; A80-L84 WeakPolarHBondContact O-CB 3.38Å; A80-L84 PolarHBondContact O-N 3.09Å; A80-A211 HydrophobicContact CB-CB 3.94Å
81T91.8Very high89.7Confident31 Ų3144.8 Ų44.819%0.1925%0.247CC..Hα-helixtrans-68.9-46.1179.651.70000111.9P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.39Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.32Å; I77-T81 PolarHBondContact O-N 3.31Å; I77-T81 PolarHBondContact O-OG1 3.22Å; F78-T81 PolarHBondContact O-OG1 3.34Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; I79-T81 PolarHBondContact O-N 3.23Å; T81-N83 PolarHBondContact O-N 2.99Å; T81-L84 PolarHBondContact O-N 3.04Å; T81-L85 WeakPolarHBondContact O-CB 3.04Å; T81-L85 WeakPolarHBondContact O-CD1 3.1Å; T81-L85 PolarHBondContact O-N 3.34Å
82T91.5Very high89.4Confident4 Ų442.9 Ų42.93%0.02524%0.237CC..Hα-helixtrans-59.7-43.1177480000112.6P27 F78 I79 G86 P94P27-T82 HydrophobicContact CB-CG2 4.21Å; P27-T82 HydrophobicContact CG-CG2 3.43Å; P27-T82 VanDerWaalsContact CG-CG2 3.43Å; F78-T82 HydrophobicContact CD2-CG2 4.29Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 3.89Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CB 3.23Å; F78-T82 WeakPolarHBondContact O-CG2 3.32Å; F78-T82 PolarHBondContact O-N 3.18Å; F78-T82 PolarHBondContact O-OG1 3.42Å; I79-T82 WeakPolarHBondContact CA-OG1 3.5Å; I79-T82 PolarHBondContact O-OG1 2.96Å; T82-G86 PolarHBondContact O-N 3.26Å; T82-P94 HydrophobicContact CG2-CG 4.47Å
83N91.5Very high89.1Confident1 Ų143 Ų431%0.00524%0.238CC..Hα-helixtrans-67.7-42.1178.3-66.7-11.6000112.1I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.29Å; I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.47Å; I79-N83 PolarHBondContact O-N 3.18Å; I79-N83 PolarHBondContact O-ND2 3.37Å; I79-N83 PolarHBondContact O-OD1 2.89Å; T81-N83 PolarHBondContact O-N 2.99Å; N83-G86 WeakPolarHBondContact O-CA 3.23Å; N83-G86 PolarHBondContact O-N 3.38Å; N83-G86 VanDerWaalsContact O-N 3.11Å; N83-L87 PolarHBondContact O-N 2.92Å; N83-T95 WeakPolarHBondContact OD1-CB 3.38Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.27Å; N83-T95 PolarHBondContact OD1-OG1 3.47Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.46Å; N83-I164 HydrophobicContact CB-CD1 4.24Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.5Å; N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 3.39Å
84L90.4Very high88.7Confident94 Ų9442.7 Ų42.749%0.49224%0.236SC..Hα-helixtrans-71.3-39.4-177.2-164.6141000111.9A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.22Å; A80-L84 WeakPolarHBondContact O-CB 3.38Å; A80-L84 PolarHBondContact O-N 3.09Å; T81-L84 PolarHBondContact O-N 3.04Å; L84-G86 PolarHBondContact O-N 3.02Å; L84-L87 PolarHBondContact O-N 3.33Å
85L90.3Very high88.5Confident36 Ų3639.7 Ų39.719%0.18822%0.215CC..Hα-helixtrans-60.4-34168.6-92.886000111.8F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.51Å; L30-L85 HydrophobicContact CD1-CD1 3.43Å; L30-L85 VanDerWaalsContact CD1-CD1 3.43Å; L30-L85 HydrophobicContact CD1-CD2 3.87Å; L30-L85 HydrophobicContact CD1-CG 4.13Å; T81-L85 WeakPolarHBondContact O-CB 3.04Å; T81-L85 WeakPolarHBondContact O-CD1 3.1Å; T81-L85 PolarHBondContact O-N 3.34Å; L85-L87 PolarHBondContact O-N 3.01Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.44Å; L85-L88 PolarHBondContact O-N 3.17Å; L85-L88 VanDerWaalsContact O-N 3.11Å; L85-S91 PolarHBondContact O-OG 3.08Å; L85-S91 VanDerWaalsContact O-OG 3.05Å
86G86.3Confident88.2Confident1 Ų139.3 Ų39.31%0.0121%0.213CC..Hα-helixtrans-60.1-24.5177.600000116.7T82 N83 L84 S91 H168T82-G86 PolarHBondContact O-N 3.26Å; N83-G86 WeakPolarHBondContact O-CA 3.23Å; N83-G86 PolarHBondContact O-N 3.38Å; N83-G86 VanDerWaalsContact O-N 3.11Å; L84-G86 PolarHBondContact O-N 3.02Å; G86-S91 VanDerWaalsContact C-OG 3.3Å; G86-S91 PolarHBondContact O-OG 3.42Å; G86-H168 PolarHBondContact O-CE1 3Å; G86-H168 VanDerWaalsContact O-CE1 3.25Å; G86-H168 PolarHBondContact O-NE2 3.05Å
87L87.2Confident88.1Confident38 Ų3841.7 Ų41.720%0.19922%0.224CC..THydrogen-bonded Turntrans-83.2-4.6178.7-61.4174.8000112.3N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 2.92Å; L84-L87 PolarHBondContact O-N 3.33Å; L85-L87 PolarHBondContact O-N 3.01Å; L87-M171 HydrophobicContact CD2-CE 3.97Å; L87-E203 HydrophobicContact CD1-CG 4.38Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; L87-I204 HydrophobicContact CD1-CB 4.23Å; L87-I204 HydrophobicContact CD1-CG1 3.65Å; L87-A207 HydrophobicContact CD1-CB 4.07Å
88L88.1Confident87.9Confident100 Ų10043.2 Ų43.252%0.52423%0.232SC..SBendtrans-67.6144174.7-65.2172.8000110.5L85 H90 S91L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.44Å; L85-L88 PolarHBondContact O-N 3.17Å; L85-L88 VanDerWaalsContact O-N 3.11Å; L88-H90 PolarHBondContact O-N 3.3Å; L88-S91 WeakPolarHBondContact O-CB 3.38Å; L88-S91 PolarHBondContact O-N 3.08Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.33Å
89P83Confident87.7Confident112 Ų11245.1 Ų45.173%0.72725%0.251SS*.THydrogen-bonded Turntrans-58.9134.9-179.624.9-33.9000110.7S91P89-S91 PolarHBondContact O-N 3.33Å; P89-S91 VanDerWaalsContact O-N 3.12Å
90H83.3Confident87.6Confident202 Ų20247 Ų4794%0.93526%0.26SS*.THydrogen-bonded Turntrans57.817.8-178.8-56.7-66.6000115.8L88L88-H90 PolarHBondContact O-N 3.3Å
91S85.1Confident87.5Confident32 Ų3245.6 Ų45.622%0.22425%0.249CC..  trans-81.7139.4172.468.90000111.3L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.08Å; L85-S91 VanDerWaalsContact O-OG 3.05Å; G86-S91 VanDerWaalsContact C-OG 3.3Å; G86-S91 PolarHBondContact O-OG 3.42Å; L88-S91 WeakPolarHBondContact O-CB 3.38Å; L88-S91 PolarHBondContact O-N 3.08Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.33Å; P89-S91 PolarHBondContact O-N 3.33Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92F83.8Confident87.2Confident26 Ų2646.1 Ų46.111%0.11425%0.25CS..  trans-86.4126170171.7-94.9000109.4S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.43Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.19Å; P12-F92 HydrophobicContact CG-CG 4.12Å; A20-F92 HydrophobicContact CB-CE1 4.31Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.32Å; I23-F92 HydrophobicContact CG2-CD1 4.45Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å
93T84.9Confident87.2Confident3 Ų349 Ų492%0.01827%0.274CS..  trans-96.3112.7178.729.30000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 2.94Å; T93-T96 PolarHBondContact O-N 3.28Å; T93-T96 PolarHBondContact O-OG1 3.46Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.46Å; T93-I164 HydrophobicContact CG2-CG2 4.27Å
94P84.3Confident86.9Confident9 Ų950.1 Ų50.16%0.05828%0.279CS..G310 helixtrans-64.4-23.7176.826.1-33.2000112.6I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.25Å; I24-P94 HydrophobicContact CG1-CB 3.69Å; I24-P94 HydrophobicContact CG1-CG 4.04Å; T82-P94 HydrophobicContact CG2-CG 4.47Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.21Å; P94-Q97 PolarHBondContact O-N 3.41Å; P94-M100 WeakPolarHBondContact O-CB 3.42Å
95T86.5Confident86.8Confident1 Ų145.7 Ų45.71%0.00626%0.257CS..G310 helixtrans-76.4-7.3179.651.60000114.4N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.38Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.27Å; N83-T95 PolarHBondContact OD1-OG1 3.47Å; T93-T95 PolarHBondContact O-N 2.94Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 3.22Å; T95-L160 HydrophobicContact CG2-CD2 4.46Å; T95-I164 VanDerWaalsContact OG1-CD1 3.26Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.37Å
96T86.3Confident86.7Confident9 Ų948 Ų486%0.05527%0.268CS..G310 helixtrans-74.9-26.9169.656.50000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; T93-T96 PolarHBondContact O-N 3.28Å; T93-T96 PolarHBondContact O-OG1 3.46Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.46Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.21Å; T96-L98 PolarHBondContact O-N 3.36Å; T96-T161 WeakPolarHBondContact O-CG2 3.47Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å
97Q89.6Confident86.9Confident68 Ų6851.7 Ų51.732%0.31829%0.292SS..SBendtrans-77.7120.5178.3-65.6-63.5-30.500109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.27Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å; P94-Q97 PolarHBondContact O-N 3.41Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.15Å; Q97-M100 PolarHBondContact O-N 3.34Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; Q97-N101 PolarHBondContact O-N 2.76Å
98L87.3Confident87Confident66 Ų6650.7 Ų50.735%0.34629%0.287SS..Hα-helixtrans-58.1-33178.5-17763.7000112.2T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.36Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 2.93Å; L98-N101 PolarHBondContact O-N 2.7Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 3.38Å; L98-M154 HydrophobicContact CD2-CE 4.37Å; L98-A157 HydrophobicContact CD1-CB 4.36Å; L98-V158 HydrophobicContact CD1-CG2 3.93Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4Å
99S88.6Confident86.9Confident84 Ų8447.9 Ų47.959%0.58727%0.269SS*.Hα-helixtrans-56.4-43.8176.456.30000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.15Å; S99-A103 WeakPolarHBondContact O-CB 3.34Å; S99-A103 PolarHBondContact O-N 3.31Å
100M88.3Confident87Confident40 Ų4043.9 Ų43.920%0.19725%0.246CC..Hα-helixtrans-68-46.7-178.7-176.256.5-170.100111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CG2-CE 4.48Å; F78-M100 HydrophobicContact CE1-CE 3.8Å; F78-M100 HydrophobicContact CZ-CE 3.85Å; P94-M100 WeakPolarHBondContact O-CB 3.42Å; Q97-M100 PolarHBondContact O-N 3.34Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 2.93Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 2.8Å; M100-A103 PolarHBondContact O-N 3.43Å; M100-M104 HydrophobicContact CE-CE 3.99Å; M100-M104 HydrophobicContact CE-CG 4.25Å; M100-M104 HydrophobicContact CE-SD 3.94Å; M100-M104 HydrophobicContact CG-CE 3.87Å; M100-M104 PolarHBondContact O-N 3.32Å; M100-M104 VanDerWaalsContact O-N 3.07Å
101N89Confident87.2Confident0 Ų035.3 Ų35.30%021%0.212CC..Hα-helixtrans-67.3-37.5-179.1-66.1-9.2000111.9T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.22Å; Q97-N101 PolarHBondContact O-N 2.76Å; L98-N101 PolarHBondContact O-N 2.7Å; N101-M104 PolarHBondContact O-N 2.97Å; N101-M104 WeakPolarHBondContact OD1-CE 3.5Å; N101-A105 VanDerWaalsContact O-CB 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.35Å; N101-A105 PolarHBondContact O-N 3.43Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 3.49Å; N101-L160 HydrophobicContact CB-CD2 4.35Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.39Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.27Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.47Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.35Å; N101-T161 HydrophobicContact CB-CG2 4.28Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.33Å; N101-T161 PolarHBondContact ND2-N 3.3Å
102L86.9Confident87.1Confident43 Ų4333.9 Ų33.923%0.22520%0.202CC..Hα-helixtrans-69.8-38.6177-162.366.6000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 3.38Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 2.8Å; L102-M104 PolarHBondContact O-N 2.93Å; L102-A105 PolarHBondContact O-N 3.19Å; L102-I106 HydrophobicContact CD1-CD1 3.79Å; L102-I106 HydrophobicContact CD1-CG1 3.89Å; L102-I106 HydrophobicContact CD2-CD1 3.99Å; L102-I106 HydrophobicContact CG-CD1 3.51Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.02Å; L102-I106 PolarHBondContact O-N 2.91Å; L102-M154 HydrophobicContact CD1-SD 3.41Å; L102-M154 WeakPolarHBondContact CD1-SD 3.5Å; L102-M154 HydrophobicContact CD2-SD 4.21Å; L102-M154 HydrophobicContact CG-SD 4.46Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 4.03Å
103A89.8Confident87.1Confident63 Ų6333.2 Ų33.252%0.52120%0.2SC..Hα-helixtrans-63-28.6173.200000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.34Å; S99-A103 PolarHBondContact O-N 3.31Å; M100-A103 PolarHBondContact O-N 3.43Å; A103-P107 WeakPolarHBondContact O-CD 3.26Å; A103-P107 WeakPolarHBondContact O-CG 3.41Å
104M86.9Confident87.1Confident25 Ų2537.8 Ų37.812%0.12322%0.223CC..Hα-helixtrans-80.2-45.2171.2-70.4-176.3-7700112.4F78 M100 N101 L102 L108 F214F78-M104 HydrophobicContact CD1-SD 3.94Å; F78-M104 HydrophobicContact CE1-CE 4.46Å; F78-M104 HydrophobicContact CE1-SD 3.63Å; M100-M104 HydrophobicContact CE-CE 3.99Å; M100-M104 HydrophobicContact CE-CG 4.25Å; M100-M104 HydrophobicContact CE-SD 3.94Å; M100-M104 HydrophobicContact CG-CE 3.87Å; M100-M104 PolarHBondContact O-N 3.32Å; M100-M104 VanDerWaalsContact O-N 3.07Å; N101-M104 PolarHBondContact O-N 2.97Å; N101-M104 WeakPolarHBondContact OD1-CE 3.5Å; L102-M104 PolarHBondContact O-N 2.93Å; M104-L108 VanDerWaalsContact O-CD1 3.23Å; M104-L108 WeakPolarHBondContact O-CD1 3.06Å; M104-L108 WeakPolarHBondContact O-CG 3.43Å; M104-F214 HydrophobicContact CB-CZ 4.47Å
105A87.7Confident86.9Confident2 Ų239.5 Ų39.52%0.01723%0.231CC..Hα-helixtrans-70.9-45-171.800000113.4N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.35Å; N101-A105 PolarHBondContact O-N 3.43Å; L102-A105 PolarHBondContact O-N 3.19Å; A105-L108 PolarHBondContact O-N 3.24Å; A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.26Å; A105-W109 PolarHBondContact O-N 3.38Å; A105-A157 HydrophobicContact CB-CB 4.21Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.16Å
106I88.8Confident86.5Confident83 Ų8339.5 Ų39.543%0.42623%0.231SC..Hα-helixtrans-62.7-49.8-175.2-65.4176.8000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.79Å; L102-I106 HydrophobicContact CD1-CG1 3.89Å; L102-I106 HydrophobicContact CD2-CD1 3.99Å; L102-I106 HydrophobicContact CG-CD1 3.51Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.02Å; L102-I106 PolarHBondContact O-N 2.91Å; I106-L108 PolarHBondContact O-N 2.91Å; I106-W109 PolarHBondContact O-N 3Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.37Å
107P89.9Confident86.1Confident80 Ų8042.9 Ų42.952%0.51925%0.245SC..Hα-helixtrans-65.5-37.4-178.6-24.136.8000113.3A103 G111A103-P107 WeakPolarHBondContact O-CD 3.26Å; A103-P107 WeakPolarHBondContact O-CG 3.41Å; P107-G111 PolarHBondContact O-N 3.42Å
108L88.4Confident85.5Confident17 Ų1749.9 Ų49.99%0.08927%0.268CS..Hα-helixtrans-65.1-46.5177.8-73.2167.7000111.5M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.68Å; M71-L108 HydrophobicContact CG-CD2 3.98Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å; L75-L108 HydrophobicContact CD1-CD1 3.47Å; L75-L108 VanDerWaalsContact CD1-CD1 3.47Å; L75-L108 HydrophobicContact CD2-CD1 3.75Å; L75-L108 HydrophobicContact CG-CD1 4.26Å; M104-L108 VanDerWaalsContact O-CD1 3.23Å; M104-L108 WeakPolarHBondContact O-CD1 3.06Å; M104-L108 WeakPolarHBondContact O-CG 3.43Å; A105-L108 PolarHBondContact O-N 3.24Å; I106-L108 PolarHBondContact O-N 2.91Å; L108-G111 PolarHBondContact O-N 3.04Å; L108-A112 PolarHBondContact O-N 3.12Å; L108-F214 HydrophobicContact CD1-CE1 4.12Å; L108-V218 HydrophobicContact CB-CG1 4.33Å
109W86.9Confident84.7Confident40 Ų4048.9 Ų48.915%0.15227%0.267CS..Hα-helixtrans-64.5-46.4176.2173.691.1000111.6A105 I106 G111 A112 M113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.26Å; A105-W109 PolarHBondContact O-N 3.38Å; I106-W109 PolarHBondContact O-N 3Å; W109-G111 VanDerWaalsContact C-N 3.29Å; W109-G111 PolarHBondContact O-N 3.25Å; W109-A112 PolarHBondContact O-N 2.66Å; W109-M113 HydrophobicContact CD2-CG 4.06Å; W109-M113 HydrophobicContact CE3-CG 4.45Å; W109-M113 HydrophobicContact CH2-CG 4.2Å; W109-M113 HydrophobicContact CZ2-CG 3.84Å; W109-M113 HydrophobicContact CZ3-CG 4.49Å; W109-M113 WeakPolarHBondContact O-CG 3.08Å; W109-M113 PolarHBondContact O-N 3.18Å; W109-L149 HydrophobicContact CH2-CD2 4.08Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.91Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.23Å; W109-L149 PolarHBondContact NE1-O 3.07Å; W109-L150 HydrophobicContact CH2-CD2 3.79Å; W109-L150 HydrophobicContact CZ2-CD2 4.33Å; W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.85Å; W109-P153 HydrophobicContact CE3-CG 4.38Å; W109-P153 HydrophobicContact CG-CB 3.87Å; W109-P153 HydrophobicContact CG-CG 3.83Å
110A85.9Confident83.9Confident29 Ų2949.3 Ų49.324%0.2426%0.258CS..Hα-helixtrans-61.6-40.8178.700000111I106 M113 I114I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.37Å; A110-M113 PolarHBondContact O-N 3.06Å; A110-I114 WeakPolarHBondContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CD1 3.47Å; A110-I114 WeakPolarHBondContact O-CG1 3.32Å; A110-I114 PolarHBondContact O-N 3.34Å
111G86.1Confident82.8Confident22 Ų2252.6 Ų52.623%0.22728%0.275CS..Hα-helixtrans-61.1-43.8175.100000112.9P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.42Å; L108-G111 PolarHBondContact O-N 3.04Å; W109-G111 VanDerWaalsContact C-N 3.29Å; W109-G111 PolarHBondContact O-N 3.25Å; G111-M115 WeakPolarHBondContact O-CB 3.47Å; G111-M115 PolarHBondContact O-N 3.44Å
112A84.1Confident81.7Confident1 Ų161.6 Ų61.61%0.00832%0.315CS..Hα-helixtrans-63-44.8175.600000111.8L108 W109 M115 G116L108-A112 PolarHBondContact O-N 3.12Å; W109-A112 PolarHBondContact O-N 2.66Å; A112-M115 PolarHBondContact O-N 3.45Å; A112-G116 PolarHBondContact O-N 3.33Å
113M82.8Confident80.7Confident13 Ų1364.3 Ų64.36%0.06433%0.33CS..Hα-helixtrans-63.9-46.5177.7-69.9-62.4149.800112.3W109 A110 M115 G116 F117 L149 N225W109-M113 HydrophobicContact CD2-CG 4.06Å; W109-M113 HydrophobicContact CE3-CG 4.45Å; W109-M113 HydrophobicContact CH2-CG 4.2Å; W109-M113 HydrophobicContact CZ2-CG 3.84Å; W109-M113 HydrophobicContact CZ3-CG 4.49Å; W109-M113 WeakPolarHBondContact O-CG 3.08Å; W109-M113 PolarHBondContact O-N 3.18Å; A110-M113 PolarHBondContact O-N 3.06Å; M113-M115 VanDerWaalsContact C-N 3.27Å; M113-M115 PolarHBondContact O-N 3.13Å; M113-G116 PolarHBondContact O-N 2.88Å; M113-G116 VanDerWaalsContact O-N 3.13Å; M113-F117 HydrophobicContact CB-CE2 4.34Å; M113-F117 WeakPolarHBondContact O-CD2 3.16Å; M113-F117 PolarHBondContact O-N 3.39Å; M113-L149 HydrophobicContact CE-CD1 3.75Å; M113-L149 HydrophobicContact CE-CG 4.11Å; M113-L149 HydrophobicContact SD-CD1 3.89Å; M113-L149 HydrophobicContact SD-CD2 4.12Å; M113-L149 HydrophobicContact SD-CG 4.3Å; M113-N225 WeakPolarHBondContact CE-ND2 3.27Å
114I84.5Confident79.6Confident98 Ų9862.1 Ų62.150%0.50331%0.311SS..Hα-helixtrans-60.9-38.7177.1-67.8163.1000110.5A110 R118A110-I114 WeakPolarHBondContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CD1 3.47Å; A110-I114 WeakPolarHBondContact O-CG1 3.32Å; A110-I114 PolarHBondContact O-N 3.34Å; I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.32Å; I114-R118 VanDerWaalsContact O-CG 3.28Å; I114-R118 WeakPolarHBondContact O-CG 3.48Å; I114-R118 PolarHBondContact O-N 2.9Å
115M81.6Confident78.4Confident45 Ų4565.5 Ų65.522%0.22233%0.33CS..Hα-helixtrans-66.2-38.3176-171168.5-179.600112.2K64 W68 G111 A112 M113 R118 S119 L222 T226K64-M115 HydrophobicContact CB-CE 4.43Å; W68-M115 HydrophobicContact CZ2-SD 4.09Å; W68-M115 PolarHBondContact NE1-SD 3.44Å; G111-M115 WeakPolarHBondContact O-CB 3.47Å; G111-M115 PolarHBondContact O-N 3.44Å; A112-M115 PolarHBondContact O-N 3.45Å; M113-M115 VanDerWaalsContact C-N 3.27Å; M113-M115 PolarHBondContact O-N 3.13Å; M115-R118 PolarHBondContact O-N 3.34Å; M115-S119 VanDerWaalsContact O-CB 3.32Å; M115-S119 WeakPolarHBondContact O-CB 3.44Å; M115-S119 PolarHBondContact O-N 3.26Å; M115-S119 PolarHBondContact O-OG 3.37Å; M115-S119 VanDerWaalsContact O-OG 3.1Å; M115-L222 HydrophobicContact SD-CD1 4.11Å; M115-T226 HydrophobicContact CE-CG2 4.34Å
116G77.2Confident77.2Confident1 Ų168 Ų681%0.0135%0.35CS..Hα-helixtrans-61.6-51.2173.100000112.8A112 M113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.33Å; M113-G116 PolarHBondContact O-N 2.88Å; M113-G116 VanDerWaalsContact O-N 3.13Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.33Å; G116-S119 PolarHBondContact O-N 3.48Å; G116-S119 PolarHBondContact O-OG 2.86Å; G116-K120 PolarHBondContact O-N 3.23Å; G116-N225 VanDerWaalsContact CA-O 3.26Å; G116-N225 WeakPolarHBondContact CA-O 3.37Å
117F78.7Confident76.1Confident81 Ų8169.4 Ų69.436%0.35535%0.354SS..Hα-helixtrans-60.3-39.6176-71-58.7000112.1M113 I121 A124 L125M113-F117 HydrophobicContact CB-CE2 4.34Å; M113-F117 WeakPolarHBondContact O-CD2 3.16Å; M113-F117 PolarHBondContact O-N 3.39Å; F117-I121 WeakPolarHBondContact O-CG1 3.32Å; F117-A124 HydrophobicContact CD1-CB 4.13Å; F117-A124 HydrophobicContact CE1-CB 4.24Å; F117-L125 HydrophobicContact CD1-CD1 4.19Å; F117-L125 HydrophobicContact CE1-CD1 3.95Å
118R77.3Confident74.7Confident214 Ų21467.4 Ų67.481%0.80834%0.338SS*.Hα-helixtrans-71.2-34178.8-74.1179.570.4-167.82113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.32Å; I114-R118 VanDerWaalsContact O-CG 3.28Å; I114-R118 WeakPolarHBondContact O-CG 3.48Å; I114-R118 PolarHBondContact O-N 2.9Å; M115-R118 PolarHBondContact O-N 3.34Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.33Å
119S69.4Low73.5Confident45 Ų4569.4 Ų69.432%0.31535%0.348SS..Hα-helixtrans-88.6-39.8-172.672.90000113.4M115 G116 N225M115-S119 VanDerWaalsContact O-CB 3.32Å; M115-S119 WeakPolarHBondContact O-CB 3.44Å; M115-S119 PolarHBondContact O-N 3.26Å; M115-S119 PolarHBondContact O-OG 3.37Å; M115-S119 VanDerWaalsContact O-OG 3.1Å; G116-S119 PolarHBondContact O-N 3.48Å; G116-S119 PolarHBondContact O-OG 2.86Å; S119-N225 PolarHBondContact OG-O 2.84Å
120K71.3Confident72.2Confident94 Ų9470.7 Ų70.741%0.40936%0.361SS..  trans-148.272.5-176.6-67.1175.7-178.41580111.4G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.23Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.48Å; K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.22Å; K120-N123 VanDerWaalsContact O-N 3.09Å; K120-A124 WeakPolarHBondContact O-CB 3.45Å; K120-A124 PolarHBondContact O-N 2.97Å; K120-T226 WeakPolarHBondContact CE-O 3.23Å; K120-T226 PolarHBondContact NZ-O 2.97Å; K120-T226 PolarHBondContact NZ-OXT 3.24Å
121I65.9Low71Confident108 Ų10878.9 Ų78.955%0.55440%0.395SS*.Hα-helixtrans-47.4-48.4177.2-59.5170.4000111.8F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.32Å; I121-N123 PolarHBondContact O-N 3.42Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CB 3.41Å; I121-L125 WeakPolarHBondContact O-CD1 3.4Å; I121-L125 PolarHBondContact O-N 3.28Å
122K65.1Low69.9Low190 Ų19081.8 Ų81.883%0.82643%0.425SS*.Hα-helixtrans-66.1-37.3-176.4-64-175.2-179.2-1770113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.48Å; K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.29Å; K122-A126 PolarHBondContact O-N 3.37Å
123N67.6Low69.2Low100 Ų10083.5 Ų83.554%0.53544%0.435SS..Hα-helixtrans-79.2-36.8-178.2-150.558.7000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.22Å; K120-N123 VanDerWaalsContact O-N 3.09Å; I121-N123 PolarHBondContact O-N 3.42Å; N123-A126 PolarHBondContact O-N 3.21Å; N123-H127 PolarHBondContact O-N 3.5Å; N123-H127 VanDerWaalsContact O-N 3.1Å
124A64.6Low68.6Low17 Ų1786.4 Ų86.414%0.1446%0.455CS..Hα-helixtrans-62.5-42.7172.900000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.13Å; F117-A124 HydrophobicContact CE1-CB 4.24Å; K120-A124 WeakPolarHBondContact O-CB 3.45Å; K120-A124 PolarHBondContact O-N 2.97Å; A124-H127 PolarHBondContact O-N 3.42Å
125L63.7Low68.2Low96 Ų9687.4 Ų87.450%0.50347%0.466SS..Hα-helixtrans-71.5-31.7175.3-88.777.9000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.19Å; F117-L125 HydrophobicContact CE1-CD1 3.95Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CB 3.41Å; I121-L125 WeakPolarHBondContact O-CD1 3.4Å; I121-L125 PolarHBondContact O-N 3.28Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.5Å; L125-F128 PolarHBondContact O-N 2.84Å
126A62.2Low68.2Low54 Ų5490.3 Ų90.345%0.44649%0.488SS..Hα-helixtrans-67.8-27.5175.800000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.29Å; K122-A126 PolarHBondContact O-N 3.37Å; N123-A126 PolarHBondContact O-N 3.21Å; A126-F128 PolarHBondContact O-N 2.69Å; A126-L129 PolarHBondContact O-N 3.14Å
127H64Low68.2Low112 Ų11295.3 Ų95.352%0.51951%0.514SS..THydrogen-bonded Turntrans-66.8-19.8176.2-155.8-59.4000113.1N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.5Å; N123-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 3.42Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.5Å; H127-L129 PolarHBondContact O-N 3.04Å
128F62.4Low68.2Low39 Ų3993.9 Ų93.917%0.17151%0.51CS..THydrogen-bonded Turntrans-68.8-12171.4-69.2-59.5000113.2L125 A126 E145 T146 L149L125-F128 PolarHBondContact O-N 2.84Å; A126-F128 PolarHBondContact O-N 2.69Å; F128-E145 HydrophobicContact CD1-CB 4.37Å; F128-E145 HydrophobicContact CD1-CG 4.03Å; F128-T146 HydrophobicContact CD1-CG2 4.06Å; F128-T146 HydrophobicContact CE1-CG2 3.92Å; F128-L149 HydrophobicContact CE1-CD1 4.33Å
129L61.5Low68.3Low59 Ų5987.7 Ų87.731%0.30950%0.497SS..SBendtrans-128.5109.8-178.5-137.677.1000111.8A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.14Å; H127-L129 PolarHBondContact O-N 3.04Å; L129-Q131 PolarHBondContact O-N 2.91Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.29Å; L129-I138 HydrophobicContact CD2-CG1 4.35Å; L129-I138 HydrophobicContact CD2-CG2 4.15Å; L129-V142 HydrophobicContact CD1-CG2 3.37Å
130P60.4Low68.9Low66 Ų6691 Ų9143%0.42951%0.509SS..  trans-63.3134.7170.319-19.3000109.3G132 T133 L141P130-G132 PolarHBondContact O-N 2.86Å; P130-T133 HydrophobicContact CB-CG2 4.45Å; P130-T133 HydrophobicContact CG-CG2 3.79Å; P130-T133 WeakPolarHBondContact O-CG2 3.45Å; P130-T133 PolarHBondContact O-OG1 2.95Å; P130-L141 HydrophobicContact CG-CD1 3.74Å; P130-L141 HydrophobicContact CG-CD2 3.78Å; P130-L141 HydrophobicContact CG-CG 4.42Å
131Q60.8Low69.6Low202 Ų20288.8 Ų88.894%0.94450%0.501SS*.THydrogen-bonded Turntrans-63.4131.4-178-62.7-169-1.900110.2L129L129-Q131 PolarHBondContact O-N 2.91Å
132G62.6Low70.3Confident83 Ų8386 Ų8686%0.85649%0.489SS*.THydrogen-bonded Turntrans94.814.8177.100000115.9P130P130-G132 PolarHBondContact O-N 2.86Å
133T69.3Low71.2Confident36 Ų3681.4 Ų81.422%0.22147%0.473CS..  trans-75.7135.8175.944.70000112.4P130 L141P130-T133 HydrophobicContact CB-CG2 4.45Å; P130-T133 HydrophobicContact CG-CG2 3.79Å; P130-T133 WeakPolarHBondContact O-CG2 3.45Å; P130-T133 PolarHBondContact O-OG1 2.95Å; T133-L141 HydrophobicContact CG2-CD1 3.85Å
134P71.6Confident72.1Confident75 Ų7581.1 Ų81.149%0.48747%0.47SS..  trans-69.1141.4178.329.3-34.7000110.7P136 L137P134-P136 WeakPolarHBondContact O-CD 3.28Å; P134-P136 VanDerWaalsContact O-N 3.1Å; P134-L137 HydrophobicContact CG-CB 4.45Å; P134-L137 HydrophobicContact CG-CD1 3.82Å; P134-L137 HydrophobicContact CG-CG 4.33Å; P134-L137 PolarHBondContact O-N 2.98Å
135T74.8Confident73Confident119 Ų11983.1 Ų83.173%0.7348%0.476SS*.THydrogen-bonded Turntrans-50.5-33.7-169.749.40000117.2I138T135-I138 HydrophobicContact CG2-CD1 4.48Å
136P81.2Confident73.9Confident105 Ų10581 Ų8168%0.68247%0.468SS*.THydrogen-bonded Turntrans-79.1-20179.629.5-34000114.3P134P134-P136 WeakPolarHBondContact O-CD 3.28Å; P134-P136 VanDerWaalsContact O-N 3.1Å
137L78.7Confident75Confident107 Ų10782.4 Ų82.456%0.5647%0.467SS*.THydrogen-bonded Turntrans-88.5-11.4-178.7-68.1176.3000113.4P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.45Å; P134-L137 HydrophobicContact CG-CD1 3.82Å; P134-L137 HydrophobicContact CG-CG 4.33Å; P134-L137 PolarHBondContact O-N 2.98Å; L137-M140 PolarHBondContact O-N 3.27Å; L137-L141 PolarHBondContact O-N 2.84Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I78.5Confident76Confident51 Ų5179.6 Ų79.626%0.26246%0.46SS..Hα-helixtrans-53.6-49.4-177.5-67.3178.5000112.5L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.29Å; L129-I138 HydrophobicContact CD2-CG1 4.35Å; L129-I138 HydrophobicContact CD2-CG2 4.15Å; T135-I138 HydrophobicContact CG2-CD1 4.48Å; I138-M140 PolarHBondContact O-N 3.1Å; I138-L141 PolarHBondContact O-N 3.48Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 3.28Å; I138-V142 VanDerWaalsContact O-N 3.15Å
139P78.9Confident76.9Confident83 Ų8379.4 Ų79.454%0.53946%0.46SS..Hα-helixtrans-65.8-37.6-175.1-20.433.7000112.9I143P139-I143 WeakPolarHBondContact O-CG1 3.43Å; P139-I143 PolarHBondContact O-N 3.1Å
140M82.7Confident77.9Confident116 Ų11681.8 Ų81.857%0.57147%0.473SS*.Hα-helixtrans-68.6-41.2179.1-174.264.5-171.500111.3L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.27Å; I138-M140 PolarHBondContact O-N 3.1Å; M140-I143 PolarHBondContact O-N 3.28Å; M140-I144 HydrophobicContact CE-CD1 3.94Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.43Å; M140-I144 PolarHBondContact O-N 2.71Å; M140-I144 VanDerWaalsContact O-N 3.12Å
141L84.6Confident79.2Confident46 Ų4683.3 Ų83.324%0.24148%0.476CS..Hα-helixtrans-67.6-41.2-177.7-166.7152.3000111.9P130 T133 L137 I138 I143 I144 E145P130-L141 HydrophobicContact CG-CD1 3.74Å; P130-L141 HydrophobicContact CG-CD2 3.78Å; P130-L141 HydrophobicContact CG-CG 4.42Å; T133-L141 HydrophobicContact CG2-CD1 3.85Å; L137-L141 PolarHBondContact O-N 2.84Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 3.48Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.37Å; L141-I144 PolarHBondContact O-N 3.33Å; L141-E145 PolarHBondContact O-N 3.1Å
142V81.3Confident80.3Confident50 Ų5077 Ų7730%0.30345%0.447SS..Hα-helixtrans-58.5-42.7175.5174.10000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.37Å; I138-V142 WeakPolarHBondContact O-CG2 3.38Å; I138-V142 PolarHBondContact O-N 3.28Å; I138-V142 VanDerWaalsContact O-N 3.15Å; V142-I144 PolarHBondContact O-N 3.23Å; V142-E145 PolarHBondContact O-N 3.04Å; V142-T146 HydrophobicContact CG1-CG2 4.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.31Å; V142-T146 PolarHBondContact O-N 2.9Å; V142-T146 PolarHBondContact O-OG1 3.01Å
143I84.9Confident81.1Confident94 Ų9473.4 Ų73.448%0.48241%0.409SS..Hα-helixtrans-61-47.7177-66.1167.1000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.43Å; P139-I143 PolarHBondContact O-N 3.1Å; M140-I143 PolarHBondContact O-N 3.28Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.37Å; I143-E145 PolarHBondContact O-N 3.37Å; I143-T146 PolarHBondContact O-N 2.99Å; I143-T146 PolarHBondContact O-OG1 3.09Å; I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 2.97Å; I143-I147 PolarHBondContact O-N 3.04Å
144I85.8Confident81.8Confident93 Ų9375.6 Ų75.648%0.47742%0.417SS..Hα-helixtrans-62.1-43.5179.8-64.3165.9000111.2M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 3.94Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.43Å; M140-I144 PolarHBondContact O-N 2.71Å; M140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 3.33Å; V142-I144 PolarHBondContact O-N 3.23Å; I144-I147 PolarHBondContact O-N 2.77Å; I144-S148 WeakPolarHBondContact O-CB 3.33Å; I144-S148 PolarHBondContact O-N 3.32Å
145E84.1Confident82.5Confident59 Ų5974 Ų7428%0.27641%0.411SS..Hα-helixtrans-66.3-39.8-179.6-166.260.2-15600111.6F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.37Å; F128-E145 HydrophobicContact CD1-CG 4.03Å; L141-E145 PolarHBondContact O-N 3.1Å; V142-E145 PolarHBondContact O-N 3.04Å; I143-E145 PolarHBondContact O-N 3.37Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 2.93Å; E145-S148 WeakPolarHBondContact O-CB 3.4Å; E145-S148 PolarHBondContact O-N 3.23Å; E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 PolarHBondContact O-N 3.32Å
146T81.3Confident82.8Confident52 Ų5268.6 Ų68.632%0.31938%0.377SS..Hα-helixtrans-62.6-38174.562.30000112.1F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.06Å; F128-T146 HydrophobicContact CE1-CG2 3.92Å; V142-T146 HydrophobicContact CG1-CG2 4.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.31Å; V142-T146 PolarHBondContact O-N 2.9Å; V142-T146 PolarHBondContact O-OG1 3.01Å; I143-T146 PolarHBondContact O-N 2.99Å; I143-T146 PolarHBondContact O-OG1 3.09Å; T146-L150 WeakPolarHBondContact O-CG 3.01Å; T146-L150 PolarHBondContact O-N 3.47Å
147I85.6Confident83Confident84 Ų8463.6 Ų63.643%0.43135%0.345SS..Hα-helixtrans-69.1-43.5175.4-67.4166.5000110.6I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 2.97Å; I143-I147 PolarHBondContact O-N 3.04Å; I144-I147 PolarHBondContact O-N 2.77Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 2.93Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.49Å; I147-L150 PolarHBondContact O-N 2.96Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.41Å; I147-I151 PolarHBondContact O-N 3.1Å
148S84.2Confident83.4Confident52 Ų5261.5 Ų61.536%0.36434%0.336SS..Hα-helixtrans-56.9-46.1177.5-1770000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.33Å; I144-S148 PolarHBondContact O-N 3.32Å; E145-S148 WeakPolarHBondContact O-CB 3.4Å; E145-S148 PolarHBondContact O-N 3.23Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.26Å; S148-I151 PolarHBondContact O-N 2.74Å; S148-Q152 PolarHBondContact O-N 2.98Å; S148-Q152 VanDerWaalsContact O-N 3.13Å
149L82.8Confident83.8Confident35 Ų3563.8 Ų63.818%0.18334%0.341CS..Hα-helixtrans-61.1-36178-171.2123000112.3W109 M113 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.08Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.91Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.23Å; W109-L149 PolarHBondContact NE1-O 3.07Å; M113-L149 HydrophobicContact CE-CD1 3.75Å; M113-L149 HydrophobicContact CE-CG 4.11Å; M113-L149 HydrophobicContact SD-CD1 3.89Å; M113-L149 HydrophobicContact SD-CD2 4.12Å; M113-L149 HydrophobicContact SD-CG 4.3Å; F128-L149 HydrophobicContact CE1-CD1 4.33Å; E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 PolarHBondContact O-N 3.32Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.49Å; L149-P153 WeakPolarHBondContact O-CD 3.22Å
150L82.8Confident84Confident109 Ų10959.8 Ų59.857%0.57132%0.316SS*.Hα-helixtrans-78.1-34.1176.5-71.2173.9000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.79Å; W109-L150 HydrophobicContact CZ2-CD2 4.33Å; T146-L150 WeakPolarHBondContact O-CG 3.01Å; T146-L150 PolarHBondContact O-N 3.47Å; I147-L150 PolarHBondContact O-N 2.96Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.26Å; L150-P153 WeakPolarHBondContact O-CD 3.29Å; L150-P153 WeakPolarHBondContact O-CG 3.12Å
151I85.8Confident84.2Confident99 Ų9955 Ų5551%0.50829%0.292SS..Hα-helixtrans-72.4-31.4-179.7-69.9172.8000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.41Å; I147-I151 PolarHBondContact O-N 3.1Å; S148-I151 PolarHBondContact O-N 2.74Å; I151-M154 WeakPolarHBondContact O-CB 3.27Å; I151-M154 PolarHBondContact O-N 3.45Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.39Å; I151-A155 WeakPolarHBondContact O-CB 3.32Å; I151-A155 PolarHBondContact O-N 3.46Å
152Q84.1Confident84.2Confident68 Ų6854.7 Ų54.732%0.31830%0.297SS..Hα-helixtrans-50.5-53.6-178-107.2176.8-13.300116.2S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 2.98Å; S148-Q152 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 3.11Å; Q152-A155 PolarHBondContact O-N 3.32Å; Q152-L156 PolarHBondContact O-N 2.99Å; Q152-Y221 HydrophobicContact CG-CE1 4.31Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.42Å; Q152-Y221 PolarHBondContact NE2-OH 3.36Å; Q152-Y221 PolarHBondContact OE1-OH 3.37Å
153P80.4Confident84.6Confident9 Ų955.1 Ų55.16%0.05830%0.297CS..Hα-helixtrans-64.5-34.4178.824-34.4000112.2W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.39Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.85Å; W109-P153 HydrophobicContact CE3-CG 4.38Å; W109-P153 HydrophobicContact CG-CB 3.87Å; W109-P153 HydrophobicContact CG-CG 3.83Å; L149-P153 WeakPolarHBondContact O-CD 3.22Å; L150-P153 WeakPolarHBondContact O-CD 3.29Å; L150-P153 WeakPolarHBondContact O-CG 3.12Å; P153-A157 PolarHBondContact O-N 3.48Å; P153-A157 VanDerWaalsContact O-N 3.14Å
154M84.7Confident84.6Confident82 Ų8250.9 Ų50.940%0.40428%0.276SS..Hα-helixtrans-66.7-46.1175.4-168.666.4175.500111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.37Å; L102-M154 HydrophobicContact CD1-SD 3.41Å; L102-M154 WeakPolarHBondContact CD1-SD 3.5Å; L102-M154 HydrophobicContact CD2-SD 4.21Å; L102-M154 HydrophobicContact CG-SD 4.46Å; I151-M154 WeakPolarHBondContact O-CB 3.27Å; I151-M154 PolarHBondContact O-N 3.45Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 3.11Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.43Å; M154-A157 PolarHBondContact O-N 3.46Å; M154-V158 HydrophobicContact CE-CG2 4.47Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 WeakPolarHBondContact O-CB 3.37Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.45Å; M154-V158 PolarHBondContact O-N 2.96Å
155A85.7Confident84.7Confident42 Ų4248.2 Ų48.235%0.34726%0.264SS..Hα-helixtrans-62-37.2178.400000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.39Å; I151-A155 WeakPolarHBondContact O-CB 3.32Å; I151-A155 PolarHBondContact O-N 3.46Å; Q152-A155 PolarHBondContact O-N 3.32Å; A155-R159 VanDerWaalsContact O-CB 3.32Å; A155-R159 WeakPolarHBondContact O-CB 3.49Å; A155-R159 PolarHBondContact O-N 3.18Å
156L81Confident84.9Confident5 Ų548 Ų483%0.02627%0.272CS..Hα-helixtrans-62.7-48.4174.7-167.878.9000111.8Q152 M154 R159 L160 F214 L217 V218Q152-L156 PolarHBondContact O-N 2.99Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.43Å; L156-R159 PolarHBondContact O-N 3.17Å; L156-L160 PolarHBondContact O-N 2.96Å; L156-F214 HydrophobicContact CD1-CB 4.43Å; L156-F214 HydrophobicContact CD1-CD2 4.03Å; L156-F214 HydrophobicContact CD1-CG 4.37Å; L156-F214 HydrophobicContact CD2-CD1 4.09Å; L156-F214 HydrophobicContact CD2-CD2 3.28Å; L156-F214 HydrophobicContact CD2-CE1 4Å; L156-F214 HydrophobicContact CD2-CE2 3.17Å; L156-F214 HydrophobicContact CD2-CG 3.75Å; L156-F214 HydrophobicContact CD2-CZ 3.55Å; L156-F214 HydrophobicContact CG-CD2 3.38Å; L156-F214 HydrophobicContact CG-CE2 3.58Å; L156-F214 HydrophobicContact CG-CG 4.09Å; L156-F214 HydrophobicContact CG-CZ 4.44Å; L156-L217 HydrophobicContact CD1-CB 4.11Å; L156-L217 HydrophobicContact CD1-CD1 3.43Å; L156-L217 VanDerWaalsContact CD1-CD1 3.43Å; L156-L217 HydrophobicContact CD1-CG 4.39Å; L156-V218 HydrophobicContact CD2-CG2 4.29Å
157A84.4Confident85.2Confident0 Ų045.8 Ų45.80%026%0.26CS..Hα-helixtrans-63.2-44.9179.500000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.36Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 3.49Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 4.03Å; A105-A157 HydrophobicContact CB-CB 4.21Å; P153-A157 PolarHBondContact O-N 3.48Å; P153-A157 VanDerWaalsContact O-N 3.14Å; M154-A157 PolarHBondContact O-N 3.46Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.4Å; A157-L160 PolarHBondContact O-N 2.83Å; A157-T161 PolarHBondContact O-N 3.45Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 2.84Å
158V87.6Confident85.4Confident62 Ų6243.3 Ų43.338%0.37625%0.246SC..Hα-helixtrans-63.9-38.7177.8172.70000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.93Å; M154-V158 HydrophobicContact CE-CG2 4.47Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 WeakPolarHBondContact O-CB 3.37Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.45Å; M154-V158 PolarHBondContact O-N 2.96Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.45Å; V158-T161 WeakPolarHBondContact CA-OG1 3.04Å; V158-T161 PolarHBondContact O-N 3.41Å; V158-T161 PolarHBondContact O-OG1 3.41Å; V158-A162 WeakPolarHBondContact O-CB 3.06Å; V158-A162 PolarHBondContact O-N 3.49Å
159R87.9Confident85.6Confident99 Ų9942.9 Ų42.937%0.37424%0.24SC..Hα-helixtrans-61.1-42.7177.9-168.1-172.8-61.9153.62.2111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.32Å; A155-R159 WeakPolarHBondContact O-CB 3.49Å; A155-R159 PolarHBondContact O-N 3.18Å; L156-R159 PolarHBondContact O-N 3.17Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.4Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3Å; R159-N163 PolarHBondContact O-ND2 3.5Å; R159-Q210 VanDerWaalsContact CG-NE2 3.29Å
160L82.3Confident85.9Confident0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-67.4-44.2179.4178.966.8000111I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.05Å; I79-L160 HydrophobicContact CG2-CD2 4.13Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.46Å; T95-L160 HydrophobicContact CG2-CD2 4.46Å; N101-L160 HydrophobicContact CB-CD2 4.35Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.39Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.27Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.47Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.35Å; L156-L160 PolarHBondContact O-N 2.96Å; A157-L160 PolarHBondContact O-N 2.83Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.45Å; L160-I164 HydrophobicContact CD1-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 3.39Å; L160-Q210 VanDerWaalsContact CA-NE2 3.28Å; L160-Q210 HydrophobicContact CB-CG 4.23Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.42Å; L160-Q210 VanDerWaalsContact CD1-CG 3.42Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; L160-F214 HydrophobicContact CD2-CD2 4.46Å
161T86.1Confident86.3Confident14 Ų1441.2 Ų41.29%0.08623%0.231CC..Hα-helixtrans-65.4-46177.4490000112.1T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.47Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4Å; N101-T161 HydrophobicContact CB-CG2 4.28Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.33Å; N101-T161 PolarHBondContact ND2-N 3.3Å; A157-T161 PolarHBondContact O-N 3.45Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 2.84Å; V158-T161 WeakPolarHBondContact CA-OG1 3.04Å; V158-T161 PolarHBondContact O-N 3.41Å; V158-T161 PolarHBondContact O-OG1 3.41Å; T161-N163 PolarHBondContact O-N 2.92Å; T161-I164 PolarHBondContact O-N 2.9Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.18Å; T161-T165 VanDerWaalsContact O-CG2 3.23Å; T161-T165 WeakPolarHBondContact O-CG2 3.38Å; T161-T165 PolarHBondContact O-N 2.87Å; T161-T165 PolarHBondContact O-OG1 3.15Å
162A85.5Confident86.5Confident40 Ų4040.6 Ų40.633%0.33123%0.225SC..Hα-helixtrans-63.5-44.3-172.800000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.06Å; V158-A162 PolarHBondContact O-N 3.49Å; A162-T165 PolarHBondContact O-OG1 3.38Å; A162-A166 WeakPolarHBondContact O-CB 3.24Å; A162-A166 PolarHBondContact O-N 2.74Å
163N88.6Confident86.8Confident59 Ų5941.6 Ų41.632%0.31623%0.233SC..Hα-helixtrans-63.6-48.8-179.5-69.5-6.3000111.3R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3Å; R159-N163 PolarHBondContact O-ND2 3.5Å; T161-N163 PolarHBondContact O-N 2.92Å; N163-G167 PolarHBondContact O-N 2.9Å; N163-V206 HydrophobicContact CB-CG1 4.02Å
164I85.6Confident87.3Confident5 Ų542.7 Ų42.73%0.02624%0.238CC..Hα-helixtrans-71.5-39-176-59.3173.2000111.7N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.24Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.5Å; T93-I164 HydrophobicContact CG2-CG2 4.27Å; T95-I164 VanDerWaalsContact OG1-CD1 3.26Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.37Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; L160-I164 HydrophobicContact CD1-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 3.39Å; T161-I164 PolarHBondContact O-N 2.9Å; I164-H168 WeakPolarHBondContact O-CB 3.18Å; I164-H168 PolarHBondContact O-N 3.28Å; I164-H168 VanDerWaalsContact O-N 3.11Å
165T88.4Confident87.6Confident38 Ų3840 Ų4023%0.23323%0.23CC..Hα-helixtrans-67.5-46.4176.752.60000111.7F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.1Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.18Å; T161-T165 VanDerWaalsContact O-CG2 3.23Å; T161-T165 WeakPolarHBondContact O-CG2 3.38Å; T161-T165 PolarHBondContact O-N 2.87Å; T161-T165 PolarHBondContact O-OG1 3.15Å; A162-T165 PolarHBondContact O-OG1 3.38Å; T165-H168 PolarHBondContact O-N 3.41Å; T165-L169 WeakPolarHBondContact O-CB 3.01Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 3.12Å
166A87.8Confident87.7Confident54 Ų5440.8 Ų40.845%0.44623%0.233SC..Hα-helixtrans-64.2-43178.400000111.2A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.24Å; A162-A166 PolarHBondContact O-N 2.74Å; A166-L169 PolarHBondContact O-N 3.11Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.25Å; A166-L170 PolarHBondContact O-N 3.33Å
167G88.5Confident88.1Confident6 Ų642.4 Ų42.46%0.06225%0.247CC..Hα-helixtrans-58.3-48.2176.400000112.6N163 L170 M171 E203N163-G167 PolarHBondContact O-N 2.9Å; G167-L170 PolarHBondContact O-N 3.11Å; G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.26Å; G167-E203 WeakPolarHBondContact CA-OE2 3.35Å
168H88.3Confident88.4Confident32 Ų3243.3 Ų43.315%0.14825%0.253CS..Hα-helixtrans-62.5-44.2176-101.6-86.3000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.08Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; G86-H168 PolarHBondContact O-CE1 3Å; G86-H168 VanDerWaalsContact O-CE1 3.25Å; G86-H168 PolarHBondContact O-NE2 3.05Å; I164-H168 WeakPolarHBondContact O-CB 3.18Å; I164-H168 PolarHBondContact O-N 3.28Å; I164-H168 VanDerWaalsContact O-N 3.11Å; T165-H168 PolarHBondContact O-N 3.41Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.04Å; H168-M171 PolarHBondContact O-N 2.93Å; H168-H172 WeakPolarHBondContact O-CB 3.03Å; H168-H172 PolarHBondContact O-N 3.33Å
169L88.7Confident88.5Confident43 Ų4346.4 Ų46.423%0.22527%0.267CS..Hα-helixtrans-61-42.8175.7-77.4170.3000111.4F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.41Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.04Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å; F9-L169 HydrophobicContact CE2-CD1 4.45Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.93Å; T165-L169 WeakPolarHBondContact O-CB 3.01Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 3.12Å; A166-L169 PolarHBondContact O-N 3.11Å; L169-H172 PolarHBondContact O-N 3.42Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.4Å; L169-L173 PolarHBondContact O-N 3.21Å
170L90.4Very high88.5Confident80 Ų8044 Ų4442%0.41927%0.268SS..Hα-helixtrans-67.5-42.7-179.2-152.8156.7000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.25Å; A166-L170 PolarHBondContact O-N 3.33Å; G167-L170 PolarHBondContact O-N 3.11Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.04Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.37Å; L170-L173 PolarHBondContact O-N 2.93Å; L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 3.97Å; L170-I174 WeakPolarHBondContact O-CG1 3.45Å; L170-I174 PolarHBondContact O-N 2.95Å; L170-L199 HydrophobicContact CB-CD2 4.28Å; L170-L199 HydrophobicContact CD2-CD1 3.73Å; L170-L199 HydrophobicContact CD2-CD2 3.26Å; L170-L199 HydrophobicContact CD2-CG 4.11Å; L170-L199 HydrophobicContact CG-CD2 4.34Å
171M90.8Very high88.7Confident29 Ų2946.9 Ų46.914%0.14328%0.282CS..Hα-helixtrans-59-43.2172.6-74.8-172.8-67.600111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.97Å; G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.26Å; H168-M171 PolarHBondContact O-N 2.93Å; M171-G175 PolarHBondContact O-N 3.26Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.56Å; M171-L199 HydrophobicContact CG-CG 4.17Å; M171-T200 HydrophobicContact SD-CG2 3.89Å; M171-E203 HydrophobicContact CE-CG 4.22Å
172H89.4Confident88.8Confident86 Ų8649.3 Ų49.340%0.39830%0.3SS..Hα-helixtrans-68-41.6178.5-169.1-60.7000112.3L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.42Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.26Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.35Å; H168-H172 WeakPolarHBondContact O-CB 3.03Å; H168-H172 PolarHBondContact O-N 3.33Å; L169-H172 PolarHBondContact O-N 3.42Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.37Å; H172-G175 PolarHBondContact O-N 3.37Å; H172-S176 WeakPolarHBondContact O-CB 3.13Å; H172-S176 PolarHBondContact O-N 3Å; H172-S176 PolarHBondContact O-OG 3.06Å
173L90.2Very high88.9Confident89 Ų8953.1 Ų53.147%0.46632%0.319SS..Hα-helixtrans-63.9-48.1178.4-74.1171.7000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.1Å; L5-L173 HydrophobicContact CD2-CD2 4.31Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.4Å; L169-L173 PolarHBondContact O-N 3.21Å; L170-L173 PolarHBondContact O-N 2.93Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.03Å; L173-S176 PolarHBondContact O-N 3.32Å; L173-S176 PolarHBondContact O-OG 3.26Å; L173-A177 PolarHBondContact O-N 2.99Å
174I91.4Very high88.8Confident32 Ų3255.3 Ų55.316%0.16433%0.33CS..Hα-helixtrans-64.4-40.2176.2-65-172.2000110.7L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 3.97Å; L170-I174 WeakPolarHBondContact O-CG1 3.45Å; L170-I174 PolarHBondContact O-N 2.95Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.46Å; I174-A177 CarbonylContact O-C 3.58Å; I174-A177 WeakPolarHBondContact O-CB 3.27Å; I174-A177 PolarHBondContact O-N 2.88Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.33Å; I174-T178 PolarHBondContact O-N 2.72Å; I174-T178 PolarHBondContact O-OG1 3.25Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 3.99Å; I174-L196 HydrophobicContact CB-CD1 4.22Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD2 4.17Å
175G90.1Very high89Confident24 Ų2459.6 Ų59.625%0.24735%0.353CS..Hα-helixtrans-61.8-37175.100000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.26Å; H172-G175 PolarHBondContact O-N 3.37Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.03Å; G175-T178 WeakPolarHBondContact CA-OG1 3.42Å; G175-T178 PolarHBondContact O-OG1 2.9Å; G175-L179 PolarHBondContact O-N 3.02Å
176S89Confident88.9Confident59 Ų5964.8 Ų64.841%0.41338%0.378SS..Hα-helixtrans-70.2-35.2173.471.30000112.1H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.13Å; H172-S176 PolarHBondContact O-N 3Å; H172-S176 PolarHBondContact O-OG 3.06Å; L173-S176 PolarHBondContact O-N 3.32Å; L173-S176 PolarHBondContact O-OG 3.26Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.46Å; S176-L179 PolarHBondContact O-N 3.49Å; S176-A180 WeakPolarHBondContact O-CB 3.34Å; S176-A180 PolarHBondContact O-N 2.99Å
177A88.7Confident89Confident39 Ų3966.7 Ų66.732%0.32239%0.386SS..Hα-helixtrans-69.4-41.1176.400000111.9L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.99Å; I174-A177 CarbonylContact O-C 3.58Å; I174-A177 WeakPolarHBondContact O-CB 3.27Å; I174-A177 PolarHBondContact O-N 2.88Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.3Å; A177-A180 PolarHBondContact O-N 3.42Å; A177-M181 WeakPolarHBondContact O-CB 3.22Å; A177-M181 WeakPolarHBondContact O-CG 3.45Å; A177-M181 PolarHBondContact O-N 2.91Å
178T90.5Very high88.9Confident19 Ų1968.1 Ų68.112%0.11740%0.395CS..Hα-helixtrans-60.6-42.3174560000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.33Å; I174-T178 PolarHBondContact O-N 2.72Å; I174-T178 PolarHBondContact O-OG1 3.25Å; G175-T178 WeakPolarHBondContact CA-OG1 3.42Å; G175-T178 PolarHBondContact O-OG1 2.9Å; T178-M181 PolarHBondContact O-N 3.46Å; T178-S182 WeakPolarHBondContact O-CB 3.23Å; T178-S182 PolarHBondContact O-N 3.36Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L89.7Confident89.1Confident128 Ų12867.8 Ų67.867%0.6740%0.395SS*.Hα-helixtrans-66-42.1179-163.8141.2000111.7G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.02Å; S176-L179 PolarHBondContact O-N 3.49Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.3Å; L179-S182 WeakPolarHBondContact O-CB 3.36Å; L179-S182 PolarHBondContact O-N 3.44Å; L179-S182 PolarHBondContact O-OG 2.96Å
180A88.8Confident89.2Confident48 Ų4871.2 Ų71.240%0.39741%0.413SS..Hα-helixtrans-67.9-34.6175.500000113.4S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.34Å; S176-A180 PolarHBondContact O-N 2.99Å; A177-A180 PolarHBondContact O-N 3.42Å; A180-S182 VanDerWaalsContact C-N 3.35Å; A180-T183 PolarHBondContact O-OG1 3.35Å
181M87.1Confident89.3Confident61 Ų6172.6 Ų72.630%0.342%0.42SS..Hα-helixtrans-76.6-24.5178.1-68.5-65.6111.900112.5A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.22Å; A177-M181 WeakPolarHBondContact O-CG 3.45Å; A177-M181 PolarHBondContact O-N 2.91Å; T178-M181 PolarHBondContact O-N 3.46Å; M181-T183 PolarHBondContact O-N 2.87Å; M181-I184 HydrophobicContact CE-CD1 3.63Å; M181-I184 PolarHBondContact O-N 2.85Å; M181-I184 HydrophobicContact SD-CD1 4.29Å; M181-N185 PolarHBondContact O-N 3.45Å; M181-T189 PolarHBondContact O-OG1 3.31Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.63Å
182S87.5Confident89.4Confident64 Ų6473.1 Ų73.145%0.44842%0.423SS..Hα-helixtrans-58.9-30.517976.80000113T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.23Å; T178-S182 PolarHBondContact O-N 3.36Å; L179-S182 WeakPolarHBondContact O-CB 3.36Å; L179-S182 PolarHBondContact O-N 3.44Å; L179-S182 PolarHBondContact O-OG 2.96Å; A180-S182 VanDerWaalsContact C-N 3.35Å; S182-T189 VanDerWaalsContact CA-OG1 3.3Å; S182-T189 WeakPolarHBondContact CA-OG1 3.46Å; S182-T189 PolarHBondContact N-OG1 2.94Å
183T87.3Confident89.6Confident120 Ų12073.9 Ų73.974%0.73643%0.425SS*.THydrogen-bonded Turntrans-82.3-16.5178.158.10000113.5A180 M181A180-T183 PolarHBondContact O-OG1 3.35Å; M181-T183 PolarHBondContact O-N 2.87Å
184I87.3Confident89.8Confident106 Ų10673.2 Ų73.254%0.54443%0.425SS..THydrogen-bonded Turntrans-98.7-60.5-174.5-56.9174.6000110.2M181M181-I184 HydrophobicContact CE-CD1 3.63Å; M181-I184 PolarHBondContact O-N 2.85Å; M181-I184 HydrophobicContact SD-CD1 4.29Å
185N88.5Confident89.9Confident95 Ų9575.6 Ų75.651%0.50844%0.437SS..  trans-146.7124.6-173.3-83.6-21.4000111.2M181 S188 T189M181-N185 PolarHBondContact O-N 3.45Å; N185-S188 VanDerWaalsContact CB-OG 3.23Å; N185-S188 WeakPolarHBondContact CB-OG 3.48Å; N185-S188 PolarHBondContact O-OG 3.43Å; N185-T189 PolarHBondContact O-N 3.32Å; N185-T189 PolarHBondContact O-OG1 3.26Å
186L87.6Confident90.1Very high146 Ų14676 Ų7676%0.76443%0.434SS*.Hα-helixtrans-62.5-45177.1-15783.7000114.3S188 T189 L190L186-S188 PolarHBondContact O-N 3.38Å; L186-T189 WeakPolarHBondContact O-CB 3.29Å; L186-T189 PolarHBondContact O-N 2.98Å; L186-L190 PolarHBondContact O-N 2.88Å
187P88.9Confident90.3Very high94 Ų9476.9 Ų76.961%0.6143%0.433SS*.Hα-helixtrans-68.9-36.6-175.225.1-33.2000112.9T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-L190 PolarHBondContact O-N 2.6Å; P187-I191 PolarHBondContact O-N 2.95Å
188S87.2Confident90.6Very high37 Ų3780.8 Ų80.826%0.25945%0.447SS..Hα-helixtrans-67.1-34.5174.2510000112.2N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.23Å; N185-S188 WeakPolarHBondContact CB-OG 3.48Å; N185-S188 PolarHBondContact O-OG 3.43Å; L186-S188 PolarHBondContact O-N 3.38Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.82Å; S188-I191 PolarHBondContact O-N 3.37Å; S188-I192 WeakPolarHBondContact O-CG1 3.3Å; S188-I192 PolarHBondContact O-N 3.35Å; S188-I192 VanDerWaalsContact O-N 3.13Å
189T91.8Very high90.7Very high24 Ų2481 Ų8115%0.14745%0.448CS..Hα-helixtrans-62.1-41.6175.7-590000111.4M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.31Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; S182-T189 VanDerWaalsContact CA-OG1 3.3Å; S182-T189 WeakPolarHBondContact CA-OG1 3.46Å; S182-T189 PolarHBondContact N-OG1 2.94Å; N185-T189 PolarHBondContact O-N 3.32Å; N185-T189 PolarHBondContact O-OG1 3.26Å; L186-T189 WeakPolarHBondContact O-CB 3.29Å; L186-T189 PolarHBondContact O-N 2.98Å; P187-T189 VanDerWaalsContact C-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.32Å; T189-I192 PolarHBondContact O-N 3.37Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.47Å; T189-F193 PolarHBondContact O-N 2.87Å
190L91.3Very high90.8Very high116 Ų11677.3 Ų77.361%0.60743%0.431SS*.Hα-helixtrans-60.7-41.3177.5-167.972.6000111.6L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.88Å; P187-L190 PolarHBondContact O-N 2.6Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.82Å; L190-F193 PolarHBondContact O-N 3.45Å; L190-T194 WeakPolarHBondContact O-CG2 3.37Å; L190-T194 PolarHBondContact O-N 2.98Å; L190-T194 PolarHBondContact O-OG1 3.1Å
191I92.8Very high91Very high108 Ų10879.9 Ų79.955%0.55444%0.437SS*.Hα-helixtrans-64.6-44.4178.4-62.9165.4000111.3P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.95Å; S188-I191 PolarHBondContact O-N 3.37Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.32Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.94Å; I191-T194 PolarHBondContact O-N 2.99Å; I191-T194 PolarHBondContact O-OG1 2.93Å; I191-I195 HydrophobicContact CG2-CD1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 3.48Å
192I93.1Very high91.3Very high41 Ų4181.9 Ų81.921%0.2145%0.448CS..Hα-helixtrans-71.1-33.2179.8-57.3166.9000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.63Å; S188-I192 WeakPolarHBondContact O-CG1 3.3Å; S188-I192 PolarHBondContact O-N 3.35Å; S188-I192 VanDerWaalsContact O-N 3.13Å; T189-I192 PolarHBondContact O-N 3.37Å; I192-I195 WeakPolarHBondContact O-CB 3.5Å; I192-I195 PolarHBondContact O-N 3.49Å; I192-L196 PolarHBondContact O-N 3.03Å
193F92.6Very high91.4Very high101 Ų10179.4 Ų79.444%0.44343%0.43SS..Hα-helixtrans-66-39175.1-173.6-105.6000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.47Å; T189-F193 PolarHBondContact O-N 2.87Å; L190-F193 PolarHBondContact O-N 3.45Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.94Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.38Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.35Å; F193-L196 PolarHBondContact O-N 2.96Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.13Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 PolarHBondContact O-N 2.99Å
194T93.7Very high91.6Very high76 Ų7677.8 Ų77.847%0.46642%0.416SS..Hα-helixtrans-65.1-37173.3570000111.8L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.37Å; L190-T194 PolarHBondContact O-N 2.98Å; L190-T194 PolarHBondContact O-OG1 3.1Å; I191-T194 PolarHBondContact O-N 2.99Å; I191-T194 PolarHBondContact O-OG1 2.93Å; T194-I197 PolarHBondContact O-N 3.44Å; T194-L198 PolarHBondContact O-N 2.87Å
195I94.4Very high91.9Very high82 Ų8275 Ų7542%0.42141%0.408SS..Hα-helixtrans-62-42.4172.6-65.2166.8000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 3.99Å; I191-I195 HydrophobicContact CG2-CD1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 3.48Å; I192-I195 WeakPolarHBondContact O-CB 3.5Å; I192-I195 PolarHBondContact O-N 3.49Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.38Å; I195-I197 PolarHBondContact O-N 3.42Å; I195-L198 PolarHBondContact O-N 3.14Å; I195-L199 WeakPolarHBondContact O-CB 3.31Å; I195-L199 PolarHBondContact O-N 2.98Å
196L93.6Very high92.1Very high32 Ų3272.2 Ų72.217%0.16840%0.395CS..Hα-helixtrans-59.4-45.5176.1-177.767.2000111.4I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.22Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 PolarHBondContact O-N 3.03Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.35Å; F193-L196 PolarHBondContact O-N 2.96Å; L196-L198 PolarHBondContact O-N 2.75Å; L196-L199 WeakPolarHBondContact O-CB 3.27Å; L196-L199 PolarHBondContact O-N 3.45Å; L196-T200 WeakPolarHBondContact O-CG2 3.45Å; L196-T200 PolarHBondContact O-N 3.39Å
197I93.3Very high92.2Very high78 Ų7865.4 Ų65.440%0.436%0.359SS..Hα-helixtrans-60.2-47.4176.3-67.4165.3000110.4F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.13Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 PolarHBondContact O-N 2.99Å; T194-I197 PolarHBondContact O-N 3.44Å; I195-I197 PolarHBondContact O-N 3.42Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.26Å; I197-T200 PolarHBondContact O-N 2.87Å; I197-T200 VanDerWaalsContact O-N 3.16Å; I197-T200 PolarHBondContact O-OG1 3.48Å; I197-I201 HydrophobicContact CG2-CD1 4.1Å; I197-I201 WeakPolarHBondContact O-CG1 3.49Å; I197-I201 PolarHBondContact O-N 2.82Å; I197-I201 VanDerWaalsContact O-N 3.13Å
198L95.1Very high92.2Very high120 Ų12066.2 Ų66.263%0.62836%0.358SS*.Hα-helixtrans-59.5-41179.2-174.864.6000111.8T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 2.87Å; I195-L198 PolarHBondContact O-N 3.14Å; L196-L198 PolarHBondContact O-N 2.75Å; L198-I201 PolarHBondContact O-N 2.97Å; L198-L202 PolarHBondContact O-N 3.16Å
199L93.7Very high92.4Very high23 Ų2369 Ų6912%0.1237%0.369CS..Hα-helixtrans-62.9-42.9176-178.172.7000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.28Å; L170-L199 HydrophobicContact CD2-CD1 3.73Å; L170-L199 HydrophobicContact CD2-CD2 3.26Å; L170-L199 HydrophobicContact CD2-CG 4.11Å; L170-L199 HydrophobicContact CG-CD2 4.34Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.56Å; M171-L199 HydrophobicContact CG-CG 4.17Å; I174-L199 HydrophobicContact CD1-CD2 4.17Å; I195-L199 WeakPolarHBondContact O-CB 3.31Å; I195-L199 PolarHBondContact O-N 2.98Å; L196-L199 WeakPolarHBondContact O-CB 3.27Å; L196-L199 PolarHBondContact O-N 3.45Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.26Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 2.81Å; L199-L202 HydrophobicContact CD1-CD2 4.5Å; L199-L202 WeakPolarHBondContact O-CB 3.36Å; L199-L202 PolarHBondContact O-N 3.2Å; L199-E203 PolarHBondContact O-N 3.48Å
200T91.7Very high92.3Very high52 Ų5268.2 Ų68.232%0.31936%0.364SS..Hα-helixtrans-62.1-39.1178.1610000111.8M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.89Å; L196-T200 WeakPolarHBondContact O-CG2 3.45Å; L196-T200 PolarHBondContact O-N 3.39Å; I197-T200 PolarHBondContact O-N 2.87Å; I197-T200 VanDerWaalsContact O-N 3.16Å; I197-T200 PolarHBondContact O-OG1 3.48Å; T200-E203 PolarHBondContact O-N 2.99Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 3.16Å
201I93.3Very high92.2Very high102 Ų10262.8 Ų62.852%0.52334%0.335SS..Hα-helixtrans-63.8-43.7175.2-64.4167.5000110.5I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.1Å; I197-I201 WeakPolarHBondContact O-CG1 3.49Å; I197-I201 PolarHBondContact O-N 2.82Å; I197-I201 VanDerWaalsContact O-N 3.13Å; L198-I201 PolarHBondContact O-N 2.97Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 2.81Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.39Å; I201-I204 PolarHBondContact O-N 3.12Å; I201-A205 PolarHBondContact O-N 3.02Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L92.3Very high92.1Very high102 Ų10262.4 Ų62.453%0.53433%0.328SS..Hα-helixtrans-59.4-45.4175.7179.167.1000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.16Å; L199-L202 HydrophobicContact CD1-CD2 4.5Å; L199-L202 WeakPolarHBondContact O-CB 3.36Å; L199-L202 PolarHBondContact O-N 3.2Å; L202-I204 PolarHBondContact O-N 3.43Å; L202-A205 WeakPolarHBondContact O-CB 3.31Å; L202-A205 PolarHBondContact O-N 3.46Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.48Å
203E91.2Very high92Very high13 Ų1362.4 Ų62.46%0.06133%0.329CS..Hα-helixtrans-67.5-36.6-176.8-162.964-160.400112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.38Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; G167-E203 WeakPolarHBondContact CA-OE2 3.35Å; M171-E203 HydrophobicContact CE-CG 4.22Å; L199-E203 PolarHBondContact O-N 3.48Å; T200-E203 PolarHBondContact O-N 2.99Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.39Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.18Å; E203-V206 PolarHBondContact O-N 2.87Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.5Å; E203-A207 PolarHBondContact O-N 3.32Å
204I91.4Very high91.8Very high86 Ų8657.6 Ų57.644%0.44131%0.308SS..Hα-helixtrans-59.5-43171.4-67.4164.5000110.6L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.23Å; L87-I204 HydrophobicContact CD1-CG1 3.65Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 3.16Å; I201-I204 PolarHBondContact O-N 3.12Å; L202-I204 PolarHBondContact O-N 3.43Å; I204-L208 PolarHBondContact O-N 3.13Å
205A92.4Very high91.6Very high46 Ų4654 Ų5438%0.3829%0.286SS..Hα-helixtrans-65.6-45.9177.200000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.02Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.31Å; L202-A205 PolarHBondContact O-N 3.46Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.18Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.02Å; A205-L208 PolarHBondContact O-N 3.21Å; A205-I209 WeakPolarHBondContact O-CB 3.5Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 2.66Å
206V92.1Very high91.3Very high38 Ų3852.8 Ų52.823%0.2328%0.28CS..Hα-helixtrans-61.1-42.4178.21730000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.02Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.48Å; E203-V206 PolarHBondContact O-N 2.87Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.07Å; V206-I209 PolarHBondContact O-N 3.41Å; V206-Q210 WeakPolarHBondContact O-CB 3.39Å; V206-Q210 PolarHBondContact O-N 3.37Å
207A89.9Confident91Very high3 Ų353 Ų533%0.02528%0.281CS..Hα-helixtrans-57.5-41.6178.400000113N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 3.39Å; L87-A207 HydrophobicContact CD1-CB 4.07Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.5Å; E203-A207 PolarHBondContact O-N 3.32Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.02Å; A207-A211 PolarHBondContact O-N 2.97Å
208L89.8Confident90.6Very high110 Ų11049.6 Ų49.658%0.57626%0.264SS*.Hα-helixtrans-76.1-44.8179.2-169.3149.9000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.13Å; A205-L208 PolarHBondContact O-N 3.21Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.07Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.91Å; L208-A211 PolarHBondContact O-N 3.05Å; L208-Y212 PolarHBondContact O-N 3.47Å
209I91.3Very high90.3Very high95 Ų9544.5 Ų44.549%0.48724%0.238SC..Hα-helixtrans-60.4-40.3177.7-68.8167000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.5Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 2.66Å; V206-I209 PolarHBondContact O-N 3.41Å; I209-A211 PolarHBondContact O-N 3.33Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 3.29Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; I209-V213 HydrophobicContact CG2-CG2 4.05Å; I209-V213 WeakPolarHBondContact O-CG2 3.47Å; I209-V213 PolarHBondContact O-N 2.96Å
210Q89.6Confident89.8Confident9 Ų947 Ų474%0.04225%0.251CS..Hα-helixtrans-66.7-38-178-173.363.57.600112.3R159 L160 V206 L208 Y212 V213 F214R159-Q210 VanDerWaalsContact CG-NE2 3.29Å; L160-Q210 VanDerWaalsContact CA-NE2 3.28Å; L160-Q210 HydrophobicContact CB-CG 4.23Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.42Å; L160-Q210 VanDerWaalsContact CD1-CG 3.42Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; V206-Q210 WeakPolarHBondContact O-CB 3.39Å; V206-Q210 PolarHBondContact O-N 3.37Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.91Å; Q210-Y212 VanDerWaalsContact C-N 3.31Å; Q210-Y212 PolarHBondContact O-N 2.9Å; Q210-V213 PolarHBondContact O-N 3.36Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.45Å; Q210-F214 PolarHBondContact O-N 3.44Å
211A90.1Very high89.3Confident1 Ų145.1 Ų45.11%0.00824%0.239CC..Hα-helixtrans-62.3-40.2172.500000111.8I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.44Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; A80-A211 HydrophobicContact CB-CB 3.94Å; A207-A211 PolarHBondContact O-N 2.97Å; L208-A211 PolarHBondContact O-N 3.05Å; I209-A211 PolarHBondContact O-N 3.33Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.13Å; A211-T215 PolarHBondContact O-OG1 2.69Å
212Y90.3Very high88.8Confident101 Ų10140.3 Ų40.340%0.39621%0.214SC..Hα-helixtrans-66.9-47.4176.3176.7-100.7000112.6M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.28Å; M57-Y212 HydrophobicContact CE-CE2 4.41Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; L208-Y212 PolarHBondContact O-N 3.47Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 3.29Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; Q210-Y212 VanDerWaalsContact C-N 3.31Å; Q210-Y212 PolarHBondContact O-N 2.9Å; Y212-F214 VanDerWaalsContact C-N 3.32Å; Y212-F214 PolarHBondContact O-N 3.48Å; Y212-T215 PolarHBondContact O-N 3.36Å; Y212-T215 PolarHBondContact O-OG1 3.34Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 VanDerWaalsContact O-CB 3.24Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 2.95Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.44Å
213V90.3Very high88.3Confident40 Ų4039.4 Ų39.424%0.24221%0.207CC..Hα-helixtrans-64.2-38.6179.5172.30000111.3I209 Q210 L217I209-V213 HydrophobicContact CG2-CG2 4.05Å; I209-V213 WeakPolarHBondContact O-CG2 3.47Å; I209-V213 PolarHBondContact O-N 2.96Å; Q210-V213 PolarHBondContact O-N 3.36Å; V213-L217 HydrophobicContact CG1-CD1 3.9Å; V213-L217 WeakPolarHBondContact O-CB 3.49Å; V213-L217 WeakPolarHBondContact O-CG 3.28Å; V213-L217 PolarHBondContact O-N 3.29Å
214F88.2Confident87.7Confident0 Ų042.2 Ų42.20%022%0.222CC..Hα-helixtrans-57.9-52175.9-172.8-79.3000111.5L75 I79 M104 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.07Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CG-CE1 4.18Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.31Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.72Å; I79-F214 HydrophobicContact CD1-CZ 4.32Å; M104-F214 HydrophobicContact CB-CZ 4.47Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.16Å; L108-F214 HydrophobicContact CD1-CE1 4.12Å; L156-F214 HydrophobicContact CD1-CB 4.43Å; L156-F214 HydrophobicContact CD1-CD2 4.03Å; L156-F214 HydrophobicContact CD1-CG 4.37Å; L156-F214 HydrophobicContact CD2-CD1 4.09Å; L156-F214 HydrophobicContact CD2-CD2 3.28Å; L156-F214 HydrophobicContact CD2-CE1 4Å; L156-F214 HydrophobicContact CD2-CE2 3.17Å; L156-F214 HydrophobicContact CD2-CG 3.75Å; L156-F214 HydrophobicContact CD2-CZ 3.55Å; L156-F214 HydrophobicContact CG-CD2 3.38Å; L156-F214 HydrophobicContact CG-CE2 3.58Å; L156-F214 HydrophobicContact CG-CG 4.09Å; L156-F214 HydrophobicContact CG-CZ 4.44Å; L160-F214 HydrophobicContact CD2-CD2 4.46Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.45Å; Q210-F214 PolarHBondContact O-N 3.44Å; Y212-F214 VanDerWaalsContact C-N 3.32Å; Y212-F214 PolarHBondContact O-N 3.48Å; F214-L217 PolarHBondContact O-N 2.9Å; F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CE1-CG2 4.21Å; F214-V218 WeakPolarHBondContact O-CG2 3.19Å; F214-V218 PolarHBondContact O-N 2.99Å
215T89.3Confident86.9Confident0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-71.8-36.2-176.649.80000112.4M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.38Å; L75-T215 HydrophobicContact CB-CG2 4.07Å; L75-T215 HydrophobicContact CD2-CG2 3.5Å; L75-T215 HydrophobicContact CG-CG2 3.74Å; I76-T215 VanDerWaalsContact CA-CG2 3.49Å; I76-T215 HydrophobicContact CB-CG2 3.51Å; I76-T215 HydrophobicContact CG1-CG2 4.15Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.13Å; A211-T215 PolarHBondContact O-OG1 2.69Å; Y212-T215 PolarHBondContact O-N 3.36Å; Y212-T215 PolarHBondContact O-OG1 3.34Å; T215-V218 PolarHBondContact O-N 3.05Å; T215-S219 WeakPolarHBondContact O-CB 3.37Å; T215-S219 PolarHBondContact O-N 3.2Å
216L88.7Confident85.8Confident58 Ų5838.3 Ų38.330%0.30420%0.197SC..Hα-helixtrans-62.3-45.4174.5-175.5148.8000111.7Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 VanDerWaalsContact O-CB 3.24Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 2.95Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.44Å; L216-V218 PolarHBondContact O-N 2.99Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 3.1Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.21Å; L216-L220 PolarHBondContact O-N 3.29Å
217L86.8Confident85.5Confident36 Ų3638.3 Ų38.319%0.18820%0.195CC..Hα-helixtrans-63.3-42.7178-77167.7000111.7L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.11Å; L156-L217 HydrophobicContact CD1-CD1 3.43Å; L156-L217 VanDerWaalsContact CD1-CD1 3.43Å; L156-L217 HydrophobicContact CD1-CG 4.39Å; V213-L217 HydrophobicContact CG1-CD1 3.9Å; V213-L217 WeakPolarHBondContact O-CB 3.49Å; V213-L217 WeakPolarHBondContact O-CG 3.28Å; V213-L217 PolarHBondContact O-N 3.29Å; F214-L217 PolarHBondContact O-N 2.9Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.26Å; L217-L220 PolarHBondContact O-N 3.2Å; L217-Y221 HydrophobicContact CB-CE2 4.13Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 2.99Å
218V86.1Confident85.3Confident7 Ų740.2 Ų40.24%0.04220%0.204CC..Hα-helixtrans-59.7-40.5173176.50000111.2L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.3Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L108-V218 HydrophobicContact CB-CG1 4.33Å; L156-V218 HydrophobicContact CD2-CG2 4.29Å; F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CE1-CG2 4.21Å; F214-V218 WeakPolarHBondContact O-CG2 3.19Å; F214-V218 PolarHBondContact O-N 2.99Å; T215-V218 PolarHBondContact O-N 3.05Å; L216-V218 PolarHBondContact O-N 2.99Å; V218-Y221 PolarHBondContact O-N 2.88Å; V218-L222 PolarHBondContact O-N 3.18Å
219S87.1Confident85Confident12 Ų1236.3 Ų36.38%0.08418%0.183CC..Hα-helixtrans-66.2-37.8176.886.80000112.2H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 2.82Å; T215-S219 WeakPolarHBondContact O-CB 3.37Å; T215-S219 PolarHBondContact O-N 3.2Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 3.1Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.21Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.26Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.47Å; S219-H223 PolarHBondContact O-N 3.48Å
220L84.8Confident84.7Confident76 Ų7632.8 Ų32.840%0.39817%0.166SC..Hα-helixtrans-66.4-41.9176.5-172.2146.1000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.29Å; L217-L220 PolarHBondContact O-N 3.2Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.31Å; L220-H223 WeakPolarHBondContact O-CB 3.49Å; L220-H223 PolarHBondContact O-N 3.13Å; L220-H223 VanDerWaalsContact O-N 3.09Å; L220-D224 VanDerWaalsContact CD2-OD2 3.23Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.3Å; L220-D224 PolarHBondContact O-N 3.28Å
221Y81Confident84.3Confident13 Ų1334.3 Ų34.35%0.05117%0.173CC..Hα-helixtrans-61.2-37.6172.7-59.9-43.4000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.31Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.42Å; Q152-Y221 PolarHBondContact NE2-OH 3.36Å; Q152-Y221 PolarHBondContact OE1-OH 3.37Å; L217-Y221 HydrophobicContact CB-CE2 4.13Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 PolarHBondContact O-N 2.99Å; V218-Y221 PolarHBondContact O-N 2.88Å; Y221-H223 VanDerWaalsContact C-N 3.34Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.49Å; Y221-N225 PolarHBondContact O-ND2 3.41Å
222L82.4Confident84Confident0 Ų036.5 Ų36.50%018%0.184CC..Hα-helixtrans-65.6-42.4175.2-172.471000110.6W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.46Å; W68-L222 VanDerWaalsContact CB-CD2 3.46Å; W68-L222 HydrophobicContact CD2-CD1 3.76Å; W68-L222 HydrophobicContact CD2-CD2 4.01Å; W68-L222 HydrophobicContact CE3-CD1 3.96Å; W68-L222 HydrophobicContact CE3-CD2 4.24Å; W68-L222 HydrophobicContact CG-CD1 4.05Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CZ3-CD1 4.45Å; M115-L222 HydrophobicContact SD-CD1 4.11Å; V218-L222 PolarHBondContact O-N 3.18Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.47Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.31Å; L222-N225 PolarHBondContact O-N 3.4Å; L222-T226 HydrophobicContact CD1-CG2 4.2Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.36Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.4Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.23Å
223H82.4Confident83.5Confident84 Ų8431.9 Ų31.939%0.38917%0.169SC..Hα-helixtrans-58.7-51.5176.6-174.982.7000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 2.97Å; M60-H223 PolarHBondContact O-ND1 3.41Å; S219-H223 PolarHBondContact O-N 3.48Å; L220-H223 WeakPolarHBondContact O-CB 3.49Å; L220-H223 PolarHBondContact O-N 3.13Å; L220-H223 VanDerWaalsContact O-N 3.09Å; Y221-H223 VanDerWaalsContact C-N 3.34Å; H223-N225 PolarHBondContact O-N 2.79Å; H223-T226 PolarHBondContact O-N 3.48Å; H223-T226 VanDerWaalsContact O-N 3.1Å; H223-T226 PolarHBondContact O-OG1 3.47Å
224D78.7Confident83Confident71 Ų7131.3 Ų31.338%0.3816%0.163SC..Hα-helixtrans-60.7-30.8-179.1-64.7-16.2000112.6L220L220-D224 VanDerWaalsContact CD2-OD2 3.23Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.3Å; L220-D224 PolarHBondContact O-N 3.28Å
225N74.1Confident82.6Confident22 Ų2233.9 Ų33.912%0.11818%0.177CC..Hα-helixtrans-90.7-3.3179.9-76-68.3000114.5M113 G116 S119 Y221 L222 H223M113-N225 WeakPolarHBondContact CE-ND2 3.27Å; G116-N225 VanDerWaalsContact CA-O 3.26Å; G116-N225 WeakPolarHBondContact CA-O 3.37Å; S119-N225 PolarHBondContact OG-O 2.84Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.49Å; Y221-N225 PolarHBondContact O-ND2 3.41Å; L222-N225 PolarHBondContact O-N 3.4Å; H223-N225 PolarHBondContact O-N 2.79Å
226T69.4Low81.9Confident28 Ų2837 Ų3717%0.17219%0.193CC..  trans-109.50-177.8560000114.7M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.34Å; K120-T226 WeakPolarHBondContact CE-O 3.23Å; K120-T226 PolarHBondContact NZ-O 2.97Å; K120-T226 PolarHBondContact NZ-OXT 3.24Å; L222-T226 HydrophobicContact CD1-CG2 4.2Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.36Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.4Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.23Å; H223-T226 PolarHBondContact O-N 3.48Å; H223-T226 VanDerWaalsContact O-N 3.1Å; H223-T226 PolarHBondContact O-OG1 3.47Å

Retrieved 226 of 226 residues in 160.8 ms (Link to these results)

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