A0A059RL82_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A059RL82, 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
1M56.9Low73.8Confident200 Ų20098.3 Ų98.399%0.98552%0.519SS*.  0-39.30-77.1173.9107.400112.7E3 N4M1-E3 PolarHBondContact O-N 3.42Å; M1-N4 PolarHBondContact O-N 3.17Å
2N54.3Low74.6Confident142 Ų14293.3 Ų93.376%0.75950%0.496SS*.THydrogen-bonded Turntrans-57-39.8-177.5-87.818.9000115.4
3E62.8Low75.5Confident160 Ų16093.4 Ų93.475%0.74850%0.503SS*.THydrogen-bonded Turntrans-82.3-20.3-177.9-60.2-142.215700114.1M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.42Å; E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.32Å; E3-F6 PolarHBondContact O-N 3.38Å; E3-A7 PolarHBondContact O-N 3.3Å; E3-A7 VanDerWaalsContact O-N 3.07Å
4N75Confident76.3Confident116 Ų11694.6 Ų94.662%0.6251%0.507SS*.THydrogen-bonded Turntrans-68.8-29.4-177.6-65.18.2000111.9M1 F6M1-N4 PolarHBondContact O-N 3.17Å; N4-F6 VanDerWaalsContact C-N 3.33Å
5L74.4Confident76.8Confident44 Ų4499.8 Ų99.823%0.2353%0.534CS..THydrogen-bonded Turntrans-68-34.6176.6-68175.6000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.32Å; L5-H172 VanDerWaalsContact CD2-CE1 3.43Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.49Å; L5-H172 WeakPolarHBondContact CD2-ND1 2.93Å; L5-L173 HydrophobicContact CD1-CD2 4.15Å; L5-L173 HydrophobicContact CD2-CD2 4.35Å
6F81Confident77.2Confident118 Ų11898.1 Ų98.152%0.51855%0.547SS..THydrogen-bonded Turntrans-92.6-10.4-177.8-66.9-75000113.5E3 N4 S8 F9 I10 L169E3-F6 PolarHBondContact O-N 3.38Å; N4-F6 VanDerWaalsContact C-N 3.33Å; F6-S8 PolarHBondContact O-N 2.98Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 HydrophobicContact CD1-CD2 4.02Å; F6-F9 HydrophobicContact CD1-CE2 4.41Å; F6-F9 PolarHBondContact O-N 3.37Å; F6-I10 PolarHBondContact O-N 2.94Å; F6-L169 HydrophobicContact CD1-CD2 4.49Å; F6-L169 HydrophobicContact CE1-CD1 4.23Å; F6-L169 HydrophobicContact CE1-CD2 4.12Å
7A78.9Confident77.6Confident55 Ų5599.6 Ų99.646%0.45555%0.553SS.*G310 helixtrans-54.7-33.4-179.900000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 3.3Å; E3-A7 VanDerWaalsContact O-N 3.07Å; A7-F9 PolarHBondContact O-N 3.33Å; A7-I10 PolarHBondContact O-N 3.11Å
8S78.8Confident78Confident40 Ų4098.4 Ų98.428%0.2855%0.55SS.*G310 helixtrans-69-19.317760.70000114.2F6 F92 H168F6-S8 PolarHBondContact O-N 2.98Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 3.41Å; S8-H168 PolarHBondContact OG-CE1 2.86Å
9F81.9Confident78.4Confident22 Ų2294.2 Ų94.210%0.09653%0.53CS..G310 helixtrans-95.3-10.5178.4-57.1-69.6000112.9F6 A7 T11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CD1-CD2 4.02Å; F6-F9 HydrophobicContact CD1-CE2 4.41Å; F6-F9 PolarHBondContact O-N 3.37Å; A7-F9 PolarHBondContact O-N 3.33Å; F9-T11 PolarHBondContact O-N 3.47Å; F9-T96 HydrophobicContact CD1-CG2 3.89Å; F9-T96 HydrophobicContact CE1-CG2 3.77Å; F9-Q97 PolarHBondContact O-NE2 2.95Å; F9-T165 HydrophobicContact CD1-CG2 4.46Å; F9-T165 HydrophobicContact CE1-CG2 4.19Å; F9-H168 HydrophobicContact CE1-CB 4.19Å; F9-H168 HydrophobicContact CZ-CB 3.98Å; F9-H168 AromaticContact CZ-ND1 3.74Å; F9-L169 HydrophobicContact CE2-CD1 4.47Å; F9-L169 HydrophobicContact CE2-CD2 3.7Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.33Å; F9-L169 HydrophobicContact CZ-CG 3.92Å
10I84.4Confident78.7Confident111 Ų11190.5 Ų90.557%0.56951%0.511SS*.SBendtrans-67.6134.3177.2-58.3175.7000108.4F6 A7 P12F6-I10 PolarHBondContact O-N 2.94Å; A7-I10 PolarHBondContact O-N 3.11Å; I10-P12 WeakPolarHBondContact O-CD 3.13Å
11T83.3Confident79.1Confident73 Ų7390 Ų9045%0.44851%0.51SS..PPolyproline II helixtrans-61.6121.7-179.944.60000110.1F9 T13 F92F9-T11 PolarHBondContact O-N 3.47Å; T11-T13 PolarHBondContact O-N 2.95Å; T11-F92 HydrophobicContact CG2-CZ 4.18Å
12P83.4Confident80.5Confident38 Ų3886.6 Ų86.625%0.24750%0.495CS..PPolyproline II helixtrans-71.2123.6-176.627.2-33.1000109.6I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.13Å; P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.39Å; P12-A19 PolarHBondContact O-N 3.15Å; P12-I23 HydrophobicContact CG-CD1 3.59Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.16Å; P12-F92 HydrophobicContact CG-CD2 4.46Å; P12-F92 HydrophobicContact CG-CG 4.08Å
13T86.8Confident82.1Confident95 Ų9582.2 Ų82.258%0.58347%0.471SS*.EExtended strand (participates in β ladder)trans-117.3124.817155.60000108.4T11 L17T11-T13 PolarHBondContact O-N 2.95Å; T13-L17 CarbonylContact C-O 3.56Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å
14I86.6Confident83.3Confident110 Ų11077 Ų7756%0.56445%0.448SS*.EExtended strand (participates in β ladder)trans-112.4122177.4-65.9172.9000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 3.41Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 3Å; I14-L17 PolarHBondContact O-N 3.45Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.88Å; I14-A19 HydrophobicContact CG1-CB 3.99Å
15L83.8Confident83.9Confident173 Ų17377.1 Ų77.191%0.90645%0.448SS*.THydrogen-bonded Turntrans53.633.5180-76.4135.8000113.6L17L15-L17 PolarHBondContact O-N 3.37Å
16G82.9Confident84.6Confident72 Ų7279.3 Ų79.374%0.74246%0.456SS*.THydrogen-bonded Turntrans78.7-2.2-17800000115.3I14I14-G16 PolarHBondContact O-N 3.41Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L83.9Confident84.9Confident125 Ų12573.9 Ų73.965%0.65443%0.432SS*.EExtended strand (participates in β ladder)trans-93.4140.5172.8-67.5167.6000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.56Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å; I14-L17 PolarHBondContact N-O 3Å; I14-L17 PolarHBondContact O-N 3.45Å; L15-L17 PolarHBondContact O-N 3.37Å; L17-A19 PolarHBondContact O-N 3.26Å
18P84.6Confident85.2Confident77 Ų7774.5 Ų74.550%0.543%0.432SS..EExtended strand (participates in β ladder)trans-71.8101.5177.529.2-33.1000110.5A20 V21P18-A20 PolarHBondContact O-N 2.98Å; P18-V21 HydrophobicContact CG-CG2 4.21Å; P18-V21 PolarHBondContact O-N 3.3Å
19A85.8Confident85.7Confident19 Ų1979.1 Ų79.116%0.15745%0.453CS..THydrogen-bonded Turntrans-66.9-16.5176.300000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.39Å; P12-A19 PolarHBondContact O-N 3.15Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.88Å; I14-A19 HydrophobicContact CG1-CB 3.99Å; L17-A19 PolarHBondContact O-N 3.26Å; A19-V21 PolarHBondContact O-N 3.18Å; A19-L22 PolarHBondContact O-N 3.01Å; A19-L22 VanDerWaalsContact O-N 3.12Å; A19-I23 PolarHBondContact O-N 2.96Å
20A85.4Confident86Confident19 Ų1981.7 Ų81.716%0.15747%0.467CS..Hα-helixtrans-52.6-34.8172.800000113.3P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.98Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 2.83Å; A20-I23 PolarHBondContact O-N 3.46Å; A20-I24 WeakPolarHBondContact O-CD1 3.36Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.12Å; A20-F92 HydrophobicContact CB-CE1 4.48Å
21V85.6Confident86.1Confident82 Ų8279 Ų7950%0.49745%0.453SS..Hα-helixtrans-63.7-42.3179.4179.80000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.21Å; P18-V21 PolarHBondContact O-N 3.3Å; A19-V21 PolarHBondContact O-N 3.18Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.28Å; V21-I24 PolarHBondContact O-N 3.07Å; V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 3.47Å; V21-L25 VanDerWaalsContact O-N 3.07Å
22L86.4Confident86.3Confident128 Ų12878.2 Ų78.267%0.6745%0.449SS*.Hα-helixtrans-66.5-37.7178.9-169.7137.8000111.3A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.01Å; A19-L22 VanDerWaalsContact O-N 3.12Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 2.83Å; L22-L25 PolarHBondContact O-N 2.98Å; L22-F26 PolarHBondContact O-N 2.86Å
23I87.7Confident86.4Confident50 Ų5083 Ų8326%0.25648%0.478SS..Hα-helixtrans-66.3-41.2176.5-62.4159.3000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.59Å; A19-I23 PolarHBondContact O-N 2.96Å; A20-I23 PolarHBondContact O-N 3.46Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.28Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.48Å; I23-F26 WeakPolarHBondContact O-CB 3.31Å; I23-F26 PolarHBondContact O-N 2.92Å; I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I23-F92 HydrophobicContact CD1-CB 4.1Å; I23-F92 HydrophobicContact CD1-CD1 3.98Å; I23-F92 HydrophobicContact CD1-CG 4.4Å; I23-F92 HydrophobicContact CG2-CD1 4.43Å
24I88.2Confident86.5Confident51 Ų5180.3 Ų80.326%0.26246%0.463SS..Hα-helixtrans-66-31.9176.9-68.4163.5000111.9A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.36Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.12Å; V21-I24 PolarHBondContact O-N 3.07Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-P27 WeakPolarHBondContact O-CD 3.21Å; I24-F78 HydrophobicContact CG2-CZ 4.33Å; I24-P94 HydrophobicContact CD1-CB 4.32Å; I24-P94 HydrophobicContact CG1-CB 3.76Å; I24-P94 HydrophobicContact CG1-CG 4.1Å; I24-M100 HydrophobicContact CD1-CE 4.42Å; I24-M100 HydrophobicContact CD1-SD 4.08Å; I24-M100 HydrophobicContact CG1-CE 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.11Å
25L87.4Confident86.4Confident118 Ų11885.1 Ų85.162%0.61848%0.48SS*.Hα-helixtrans-81-10.8178.1-72.4171.8000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 3.47Å; V21-L25 VanDerWaalsContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.98Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.48Å; L25-P28 WeakPolarHBondContact O-CD 3.44Å
26F88.9Confident86.6Confident89 Ų8985.8 Ų85.839%0.3947%0.472SS..Hα-helixtrans-70.2-44.6-177.4-168.2-91.9000114.8L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 2.86Å; I23-F26 WeakPolarHBondContact O-CB 3.31Å; I23-F26 PolarHBondContact O-N 2.92Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.45Å; F26-L29 PolarHBondContact O-N 2.91Å; F26-L30 HydrophobicContact CD1-CD1 4.14Å; F26-L30 HydrophobicContact CD1-CG 4.38Å; F26-L30 HydrophobicContact CE1-CD1 3.95Å; F26-L30 HydrophobicContact CE1-CD2 3.97Å; F26-L30 HydrophobicContact CE1-CG 4.08Å; F26-L30 HydrophobicContact CZ-CD2 4.4Å; F26-L85 HydrophobicContact CD1-CD2 3.35Å; F26-L85 HydrophobicContact CE1-CD2 3.63Å; F26-L85 HydrophobicContact CG-CD2 4.47Å
27P88.8Confident86.4Confident4 Ų490.9 Ų90.93%0.02648%0.481CS..Hα-helixtrans-56.5-42.2-178.9-14.520000115.1I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I24-P27 WeakPolarHBondContact O-CD 3.21Å; P27-L29 PolarHBondContact O-N 3.29Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.47Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 WeakPolarHBondContact CB-OG1 3.45Å; P27-T82 HydrophobicContact CB-CG2 4.25Å; P27-T82 HydrophobicContact CG-CG2 3.51Å
28P85.2Confident86.4Confident68 Ų6892.3 Ų92.344%0.44249%0.488SS..Hα-helixtrans-56-32.7173.7-27.333.6000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.44Å; P28-L30 PolarHBondContact O-N 3.44Å; P28-I31 PolarHBondContact O-N 3.08Å
29L88.3Confident86.7Confident138 Ų13890 Ų9072%0.72347%0.471SS*.Hα-helixtrans-68.1-24.3179.7-172.764.2000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.45Å; F26-L29 PolarHBondContact O-N 2.91Å; P27-L29 PolarHBondContact O-N 3.29Å; L29-I31 PolarHBondContact O-N 3.28Å
30L87.7Confident86.9Confident75 Ų7594.6 Ų94.639%0.39349%0.493SS..THydrogen-bonded Turntrans-76-6178.9-62.4170000113.6F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.14Å; F26-L30 HydrophobicContact CD1-CG 4.38Å; F26-L30 HydrophobicContact CE1-CD1 3.95Å; F26-L30 HydrophobicContact CE1-CD2 3.97Å; F26-L30 HydrophobicContact CE1-CG 4.08Å; F26-L30 HydrophobicContact CZ-CD2 4.4Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.47Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 PolarHBondContact O-N 3.44Å; L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.24Å; L30-Q46 PolarHBondContact O-NE2 3.32Å; L30-L85 HydrophobicContact CD1-CD1 3.24Å; L30-L85 HydrophobicContact CD1-CD2 4.41Å; L30-L85 HydrophobicContact CD1-CG 4.39Å
31I87.7Confident87Confident55 Ų55103.8 Ų103.828%0.28252%0.524SS..SBendtrans-10881.5-178.9-53.9162.1000108.1P28 L29 I77P28-I31 PolarHBondContact O-N 3.08Å; L29-I31 PolarHBondContact O-N 3.28Å; I31-I77 HydrophobicContact CD1-CG2 3.38Å; I31-I77 HydrophobicContact CG1-CG2 4.42Å
32P86.8Confident87.2Confident57 Ų57104 Ų10437%0.3752%0.522SS..  trans-66.5140178.127.4-33.8000110.5L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.24Å; P32-L42 HydrophobicContact CG-CD2 3.61Å; P32-I43 HydrophobicContact CB-CD1 4.43Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 4.01Å
33T86.7Confident87.5Confident137 Ų13798.7 Ų98.784%0.8449%0.494SS*.  trans-106.7143.817059.60000109.3
34S87.3Confident87.7Confident39 Ų3999.4 Ų99.427%0.27350%0.5SS..  trans-129.7147.3174.356.20000110.6N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.4Å; S34-N39 PolarHBondContact OG-ND2 3.27Å; S34-N39 PolarHBondContact OG-OD1 3.2Å; S34-I43 VanDerWaalsContact OG-CD1 3.31Å; S34-I43 WeakPolarHBondContact OG-CD1 3.26Å
35K85.9Confident87.8Confident211 Ų211100.8 Ų100.892%0.91751%0.511SS*.  trans-88.4-11179.8-61.3-178.7-178.1178.70113
36Y86.8Confident88Confident187 Ų18797.1 Ų97.173%0.73349%0.491SS*.SBendtrans-80.9152.8-175.6-60.5-71.8000111.7N39Y36-N39 PolarHBondContact O-ND2 3.02Å; Y36-N39 PolarHBondContact O-OD1 3.12Å
37L78.6Confident88Confident179 Ų17997.7 Ų97.794%0.93750%0.495SS*.SBendtrans-72.9-39176.9-170.673.6000111.5
38I85.7Confident88.2Confident156 Ų156105.4 Ų105.480%0.852%0.524SS*.SBendtrans-101.8114.4174.6-58.5170.2000107.2
39N89.2Confident88.5Confident28 Ų28107 Ų10715%0.1553%0.528CS..  trans-108.1169.1-172.6-72.7-25.4000112.8S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.4Å; S34-N39 PolarHBondContact OG-ND2 3.27Å; S34-N39 PolarHBondContact OG-OD1 3.2Å; Y36-N39 PolarHBondContact O-ND2 3.02Å; Y36-N39 PolarHBondContact O-OD1 3.12Å; N39-I43 HydrophobicContact CB-CB 3.96Å; N39-I43 HydrophobicContact CB-CG2 3.86Å; N39-T44 HydrophobicContact CB-CG2 4.18Å; N39-Q47 PolarHBondContact ND2-NE2 3.43Å
40N89.8Confident88.6Confident116 Ų116103.4 Ų103.462%0.6251%0.509SS*.  trans-63.3152.4171.5-166.7-0.1000110.9L42 I43 T44N40-L42 PolarHBondContact O-N 3.28Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 PolarHBondContact O-N 2.83Å; N40-T44 PolarHBondContact O-N 3.04Å
41R89.4Confident88.8Confident211 Ų211107.1 Ų107.180%0.79652%0.522SS*.Hα-helixtrans-52.1-37-179.5-64.6-176.8-179.6-177.61113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.45Å; R41-T44 PolarHBondContact O-N 2.87Å; R41-T44 PolarHBondContact O-OG1 3.43Å; R41-T45 WeakPolarHBondContact O-CG2 3.48Å; R41-T45 PolarHBondContact O-N 3.44Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.14Å
42L89.8Confident89Confident87 Ų87107.6 Ų107.646%0.45553%0.525SS..Hα-helixtrans-66.7-40.9178.1-172.9153.2000111.8P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.61Å; N40-L42 PolarHBondContact O-N 3.28Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T45 PolarHBondContact O-OG1 3.44Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.27Å; L42-Q46 WeakPolarHBondContact O-CB 3.49Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.43Å; L42-Q46 PolarHBondContact O-N 2.99Å
43I91.5Very high89.1Confident17 Ų17106.1 Ų106.19%0.08752%0.515CS..Hα-helixtrans-72.3-36.1179.3-60.9174.1000110.1P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.43Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 4.01Å; S34-I43 VanDerWaalsContact OG-CD1 3.31Å; S34-I43 WeakPolarHBondContact OG-CD1 3.26Å; N39-I43 HydrophobicContact CB-CB 3.96Å; N39-I43 HydrophobicContact CB-CG2 3.86Å; N40-I43 PolarHBondContact O-N 2.83Å; I43-Q46 PolarHBondContact O-N 3.47Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.3Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.02Å; I43-Q47 PolarHBondContact O-N 3.37Å
44T91.3Very high89.2Confident64 Ų64101 Ų10139%0.39348%0.484SS..Hα-helixtrans-67.2-40.217760.30000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.18Å; N40-T44 PolarHBondContact O-N 3.04Å; R41-T44 WeakPolarHBondContact CA-OG1 3.45Å; R41-T44 PolarHBondContact O-N 2.87Å; R41-T44 PolarHBondContact O-OG1 3.43Å; T44-Q47 PolarHBondContact O-N 3.23Å; T44-W48 WeakPolarHBondContact O-CB 3.46Å; T44-W48 PolarHBondContact O-N 2.97Å
45T91.1Very high89.2Confident80 Ų80106.5 Ų106.549%0.49150%0.503SS..Hα-helixtrans-66.9-39.9174.3570000111.9R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.48Å; R41-T45 PolarHBondContact O-N 3.44Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.14Å; L42-T45 PolarHBondContact O-OG1 3.44Å; T45-W48 PolarHBondContact O-N 3.44Å; T45-L49 PolarHBondContact O-N 3.08Å
46Q91.1Very high89.3Confident42 Ų42102.2 Ų102.220%0.19649%0.486CS..Hα-helixtrans-60.7-49.4173.5-76.6176.9-19.100112L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.32Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.27Å; L42-Q46 WeakPolarHBondContact O-CB 3.49Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.43Å; L42-Q46 PolarHBondContact O-N 2.99Å; I43-Q46 PolarHBondContact O-N 3.47Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.34Å; Q46-L49 WeakPolarHBondContact O-CB 3.27Å; Q46-L49 PolarHBondContact O-N 3.41Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.19Å; Q46-I50 PolarHBondContact O-N 3.19Å
47Q90.5Very high89.1Confident100 Ų10094 Ų9447%0.46746%0.455SS..Hα-helixtrans-61.1-38.5177.6-74.5176.3-11.800112N39 I43 T44 I50 K51N39-Q47 PolarHBondContact ND2-NE2 3.43Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.3Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.02Å; I43-Q47 PolarHBondContact O-N 3.37Å; T44-Q47 PolarHBondContact O-N 3.23Å; Q47-I50 PolarHBondContact O-N 2.78Å; Q47-K51 VanDerWaalsContact O-CB 3.31Å; Q47-K51 WeakPolarHBondContact O-CB 3.5Å; Q47-K51 PolarHBondContact O-N 2.96Å
48W92.3Very high89.4Confident167 Ų16786.3 Ų86.363%0.63342%0.415SS*.Hα-helixtrans-64.3-45.5175.7-176.881.6000111.9T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.46Å; T44-W48 PolarHBondContact O-N 2.97Å; T45-W48 PolarHBondContact O-N 3.44Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.34Å; W48-K51 PolarHBondContact O-N 3.27Å; W48-L52 HydrophobicContact CD2-CD1 3.68Å; W48-L52 HydrophobicContact CD2-CG 4.37Å; W48-L52 HydrophobicContact CE3-CD1 3.68Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.53Å; W48-L52 WeakPolarHBondContact O-CG 3.19Å; W48-L52 PolarHBondContact O-N 3.34Å
49L90.8Very high89.3Confident100 Ų10083.6 Ų83.652%0.52441%0.405SS..Hα-helixtrans-58.3-48.8174.6-107.6160.9000111.9T45 Q46 K51 L52 T53T45-L49 PolarHBondContact O-N 3.08Å; Q46-L49 WeakPolarHBondContact O-CB 3.27Å; Q46-L49 PolarHBondContact O-N 3.41Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.93Å; L49-L52 PolarHBondContact O-N 3.15Å; L49-T53 WeakPolarHBondContact O-CG2 3.45Å; L49-T53 PolarHBondContact O-N 2.74Å; L49-T53 PolarHBondContact O-OG1 3.43Å; L49-T53 VanDerWaalsContact O-OG1 3.14Å
50I91.6Very high88.7Confident63 Ų6389 Ų8932%0.32343%0.431SS..Hα-helixtrans-60.4-41.5178.4-67.3168.7000111.2Q46 Q47 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.19Å; Q46-I50 PolarHBondContact O-N 3.19Å; Q47-I50 PolarHBondContact O-N 2.78Å; I50-T53 PolarHBondContact O-OG1 2.96Å; I50-T53 VanDerWaalsContact O-OG1 3.13Å; I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.34Å; I50-S54 PolarHBondContact O-N 3.15Å; I50-S54 PolarHBondContact O-OG 3.28Å; I50-V73 HydrophobicContact CG2-CG1 3.86Å; I50-I77 HydrophobicContact CD1-CD1 4.04Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å
51K91.1Very high88.3Confident154 Ų15483.8 Ų83.867%0.6740%0.403SS*.Hα-helixtrans-66.8-38.8178.8-172.1176.2-178.2178.60111.9Q47 W48 L49 S54 K55Q47-K51 VanDerWaalsContact O-CB 3.31Å; Q47-K51 WeakPolarHBondContact O-CB 3.5Å; Q47-K51 PolarHBondContact O-N 2.96Å; W48-K51 PolarHBondContact O-N 3.27Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.93Å; K51-S54 WeakPolarHBondContact CA-OG 3.28Å; K51-S54 PolarHBondContact O-OG 3.2Å; K51-S54 VanDerWaalsContact O-OG 3.11Å; K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.35Å
52L91.3Very high87.7Confident65 Ų6579.2 Ų79.234%0.3439%0.394SS..Hα-helixtrans-67.1-49.8176.9-75.6176000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.68Å; W48-L52 HydrophobicContact CD2-CG 4.37Å; W48-L52 HydrophobicContact CE3-CD1 3.68Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.53Å; W48-L52 WeakPolarHBondContact O-CG 3.19Å; W48-L52 PolarHBondContact O-N 3.34Å; L49-L52 PolarHBondContact O-N 3.15Å; L52-K55 PolarHBondContact O-N 2.95Å; L52-Q56 WeakPolarHBondContact O-CG 3.41Å; L52-Q56 PolarHBondContact O-N 3.12Å
53T88.5Confident87.2Confident26 Ų2680 Ų8016%0.1640%0.403CS..Hα-helixtrans-64-45.4-17854.40000111.4L49 I50 K55 Q56 M57L49-T53 WeakPolarHBondContact O-CG2 3.45Å; L49-T53 PolarHBondContact O-N 2.74Å; L49-T53 PolarHBondContact O-OG1 3.43Å; L49-T53 VanDerWaalsContact O-OG1 3.14Å; I50-T53 PolarHBondContact O-OG1 2.96Å; I50-T53 VanDerWaalsContact O-OG1 3.13Å; T53-K55 PolarHBondContact O-N 3.14Å; T53-Q56 PolarHBondContact O-N 3.48Å; T53-M57 WeakPolarHBondContact O-CB 3.39Å; T53-M57 WeakPolarHBondContact O-CG 3.24Å; T53-M57 PolarHBondContact O-N 3.15Å
54S88.9Confident86.6Confident29 Ų2985.2 Ų85.220%0.20343%0.425CS..Hα-helixtrans-61.6-42.5175.658.70000112.2I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.34Å; I50-S54 PolarHBondContact O-N 3.15Å; I50-S54 PolarHBondContact O-OG 3.28Å; K51-S54 WeakPolarHBondContact CA-OG 3.28Å; K51-S54 PolarHBondContact O-OG 3.2Å; K51-S54 VanDerWaalsContact O-OG 3.11Å; S54-Q56 PolarHBondContact O-N 3.22Å; S54-M58 VanDerWaalsContact O-CB 3.27Å; S54-M58 WeakPolarHBondContact O-CB 3.39Å; S54-M58 VanDerWaalsContact O-CG 3.23Å; S54-M58 WeakPolarHBondContact O-CG 3.42Å; S54-M58 PolarHBondContact O-N 3.45Å
55K89Confident86Confident154 Ų15482.1 Ų82.167%0.6741%0.406SS*.Hα-helixtrans-61.3-46.5176.9-174.3179.9179.5-174.70111.3K51 L52 T53 T59K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.35Å; L52-K55 PolarHBondContact O-N 2.95Å; T53-K55 PolarHBondContact O-N 3.14Å; K55-T59 WeakPolarHBondContact O-CG2 3.31Å; K55-T59 PolarHBondContact O-N 3.09Å
56Q86.4Confident85.6Confident121 Ų12184.9 Ų84.957%0.56541%0.408SS*.Hα-helixtrans-66.7-41.9-178.8-74.6179.4-28.600112.8L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.41Å; L52-Q56 PolarHBondContact O-N 3.12Å; T53-Q56 PolarHBondContact O-N 3.48Å; S54-Q56 PolarHBondContact O-N 3.22Å; Q56-T59 PolarHBondContact O-OG1 3.35Å
57M83.8Confident85.3Confident14 Ų1487.7 Ų87.77%0.06943%0.428CS..Hα-helixtrans-73.3-35.9179.9-71.3-173171.800112.6T53 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CB 3.39Å; T53-M57 WeakPolarHBondContact O-CG 3.24Å; T53-M57 PolarHBondContact O-N 3.15Å; M57-T59 VanDerWaalsContact C-N 3.34Å; M57-T59 PolarHBondContact O-N 3.33Å; M57-H61 PolarHBondContact O-ND1 2.94Å; M57-L72 HydrophobicContact SD-CB 4.4Å; M57-I76 HydrophobicContact CE-CD1 3.76Å; M57-Y212 HydrophobicContact CE-CD2 4.36Å; M57-Y212 HydrophobicContact CE-CE2 4.46Å; M57-T215 WeakPolarHBondContact CE-OG1 3.38Å
58M84Confident85.1Confident19 Ų1985 Ų859%0.09441%0.414CS..Hα-helixtrans-81.9-8.4-176.7-63.9-42.5119.300114.5S54 M60 H61 R66 S69 L72S54-M58 VanDerWaalsContact O-CB 3.27Å; S54-M58 WeakPolarHBondContact O-CB 3.39Å; S54-M58 VanDerWaalsContact O-CG 3.23Å; S54-M58 WeakPolarHBondContact O-CG 3.42Å; S54-M58 PolarHBondContact O-N 3.45Å; M58-M60 PolarHBondContact O-N 3.07Å; M58-H61 PolarHBondContact O-N 3.41Å; M58-R66 HydrophobicContact CB-CG 4.41Å; M58-R66 HydrophobicContact SD-CG 4.38Å; M58-S69 VanDerWaalsContact SD-CB 3.6Å; M58-L72 HydrophobicContact CE-CB 4.48Å; M58-L72 HydrophobicContact CE-CD1 3.92Å
59T83.9Confident84.9Confident98 Ų9878.5 Ų78.560%0.60139%0.393SS*.THydrogen-bonded Turntrans-63.1-32.717356.60000111.8K55 Q56 M57K55-T59 WeakPolarHBondContact O-CG2 3.31Å; K55-T59 PolarHBondContact O-N 3.09Å; Q56-T59 PolarHBondContact O-OG1 3.35Å; M57-T59 VanDerWaalsContact C-N 3.34Å; M57-T59 PolarHBondContact O-N 3.33Å
60M75.9Confident84.9Confident141 Ų14180.8 Ų80.870%0.69541%0.405SS*.THydrogen-bonded Turntrans-83.9-10.2-177.5-50.2-146.990.300113.3M58 H223M58-M60 PolarHBondContact O-N 3.07Å; M60-H223 PolarHBondContact O-CE1 2.96Å; M60-H223 PolarHBondContact O-ND1 3.48Å
61H81.1Confident84.9Confident8 Ų881.1 Ų81.14%0.03741%0.406CS..  trans-106.3140.3-170.1-70.877.7000113.5M57 M58 R66 S219M57-H61 PolarHBondContact O-ND1 2.94Å; M58-H61 PolarHBondContact O-N 3.41Å; H61-R66 HydrophobicContact CB-CG 4.34Å; H61-R66 PolarHBondContact O-NE 2.91Å; H61-S219 PolarHBondContact NE2-O 3.19Å
62N78.6Confident84.8Confident114 Ų11473.8 Ų73.861%0.6138%0.375SS*.  trans-75.9172.4170.8-151.5-5.7000111.5K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.36Å; N62-K64 VanDerWaalsContact O-N 3.16Å; N62-G65 PolarHBondContact O-N 2.64Å; N62-R66 PolarHBondContact O-N 3.33Å
63T79.3Confident84.8Confident105 Ų10571.5 Ų71.564%0.64436%0.363SS*.THydrogen-bonded Turntrans-54.8-37.3-17355.20000114.3
64K78Confident85Confident125 Ų12573.3 Ų73.354%0.54338%0.377SS..THydrogen-bonded Turntrans-67.7-44.3174.6-69.8-178-178.7175.80112.3N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.36Å; N62-K64 VanDerWaalsContact O-N 3.16Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.31Å; K64-T67 WeakPolarHBondContact O-CB 3.34Å; K64-T67 PolarHBondContact O-N 2.99Å; K64-T67 PolarHBondContact O-OG1 2.89Å
65G77.9Confident85Confident0 Ų072.7 Ų72.70%037%0.371CS..G310 helixtrans-64.5-31.5177.700000112.9N62 T67 W68N62-G65 PolarHBondContact O-N 2.64Å; G65-T67 PolarHBondContact O-N 3.31Å; G65-T67 VanDerWaalsContact O-N 3.14Å; G65-W68 WeakPolarHBondContact O-CB 3.39Å; G65-W68 PolarHBondContact O-N 3.01Å
66R83.1Confident85.2Confident138 Ų13866.2 Ų66.252%0.52134%0.343SS..G310 helixtrans-62.4-20.4175.8-71.6-178.4-177.8-175.60.3114.1M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.41Å; M58-R66 HydrophobicContact SD-CG 4.38Å; H61-R66 HydrophobicContact CB-CG 4.34Å; H61-R66 PolarHBondContact O-NE 2.91Å; N62-R66 PolarHBondContact O-N 3.33Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.31Å; R66-W68 PolarHBondContact O-N 3.48Å; R66-S69 WeakPolarHBondContact O-CB 3.35Å; R66-S69 PolarHBondContact O-N 3Å; R66-S69 VanDerWaalsContact O-N 3.1Å
67T85.9Confident85.4Confident100 Ų10062.4 Ų62.461%0.61333%0.327SS*.G310 helixtrans-63.6-25.7174.4630000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.34Å; K64-T67 PolarHBondContact O-N 2.99Å; K64-T67 PolarHBondContact O-OG1 2.89Å; G65-T67 PolarHBondContact O-N 3.31Å; G65-T67 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.38Å
68W86.7Confident85.7Confident45 Ų4564.1 Ų64.117%0.1733%0.334CS..G310 helixtrans-85.20.8177.2-74.855000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.39Å; G65-W68 PolarHBondContact O-N 3.01Å; R66-W68 PolarHBondContact O-N 3.48Å; W68-L70 VanDerWaalsContact C-N 3.27Å; W68-L70 PolarHBondContact O-N 3.16Å; W68-M71 HydrophobicContact CD2-CE 3.67Å; W68-M71 HydrophobicContact CE3-CE 2.94Å; W68-M71 HydrophobicContact CH2-CE 3.57Å; W68-M71 HydrophobicContact CZ2-CE 4.22Å; W68-M71 HydrophobicContact CZ3-CE 2.91Å; W68-M71 PolarHBondContact O-N 3.24Å; W68-L72 PolarHBondContact O-N 3.3Å; W68-M115 HydrophobicContact CZ2-SD 4Å; W68-M115 PolarHBondContact NE1-SD 3.43Å; W68-L222 HydrophobicContact CB-CD2 3.45Å; W68-L222 VanDerWaalsContact CB-CD2 3.45Å; W68-L222 HydrophobicContact CD2-CD1 3.81Å; W68-L222 HydrophobicContact CD2-CD2 4.02Å; W68-L222 HydrophobicContact CE3-CD1 4.02Å; W68-L222 HydrophobicContact CE3-CD2 4.27Å; W68-L222 HydrophobicContact CG-CD1 4.08Å; W68-L222 HydrophobicContact CG-CD2 3.61Å
69S87.3Confident86.1Confident30 Ų3063.2 Ų63.221%0.2133%0.33CS..Hα-helixtrans-53.3-44.7-177.9179.30000112.4M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.6Å; R66-S69 WeakPolarHBondContact O-CB 3.35Å; R66-S69 PolarHBondContact O-N 3Å; R66-S69 VanDerWaalsContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.38Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.37Å; S69-L72 PolarHBondContact O-N 2.8Å; S69-V73 WeakPolarHBondContact O-CB 3.41Å; S69-V73 VanDerWaalsContact O-CG2 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.49Å; S69-V73 PolarHBondContact O-N 3.42Å
70L90.6Very high86.4Confident148 Ų14860 Ų6078%0.77531%0.313SS*.Hα-helixtrans-59-41.6178.7-169.296.7000111.8W68 S74W68-L70 VanDerWaalsContact C-N 3.27Å; W68-L70 PolarHBondContact O-N 3.16Å; L70-S74 WeakPolarHBondContact O-CB 3.24Å; L70-S74 PolarHBondContact O-N 2.94Å; L70-S74 PolarHBondContact O-OG 3.13Å
71M90.9Very high87.1Confident69 Ų6954.8 Ų54.834%0.3429%0.289SS..Hα-helixtrans-70.4-43.7-178.9-172.6157.163.800111.7W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.67Å; W68-M71 HydrophobicContact CE3-CE 2.94Å; W68-M71 HydrophobicContact CH2-CE 3.57Å; W68-M71 HydrophobicContact CZ2-CE 4.22Å; W68-M71 HydrophobicContact CZ3-CE 2.91Å; W68-M71 PolarHBondContact O-N 3.24Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.37Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.15Å; M71-S74 WeakPolarHBondContact CA-OG 3.27Å; M71-S74 PolarHBondContact O-N 3.49Å; M71-S74 PolarHBondContact O-OG 3.08Å; M71-L75 WeakPolarHBondContact O-CB 3.39Å; M71-L75 PolarHBondContact O-N 3Å; M71-L108 HydrophobicContact CE-CD2 3.66Å; M71-L108 HydrophobicContact CG-CD2 3.92Å; M71-L108 HydrophobicContact SD-CD2 3.57Å; M71-L108 VanDerWaalsContact SD-CD2 3.57Å
72L90.3Very high87.6Confident1 Ų154.6 Ų54.61%0.00529%0.288CS..Hα-helixtrans-63.5-40.8177.7-69.1171000112M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.4Å; M58-L72 HydrophobicContact CE-CB 4.48Å; M58-L72 HydrophobicContact CE-CD1 3.92Å; W68-L72 PolarHBondContact O-N 3.3Å; S69-L72 PolarHBondContact O-N 2.8Å; L72-L75 PolarHBondContact O-N 3.21Å; L72-I76 PolarHBondContact O-N 3.43Å; L72-I76 VanDerWaalsContact O-N 3.08Å; L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å
73V91.2Very high88.2Confident16 Ų1649.2 Ų49.210%0.09726%0.259CS..Hα-helixtrans-69.1-43.2178.5171.90000111.6I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.86Å; S69-V73 WeakPolarHBondContact O-CB 3.41Å; S69-V73 VanDerWaalsContact O-CG2 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.49Å; S69-V73 PolarHBondContact O-N 3.42Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.15Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.35Å; V73-I76 VanDerWaalsContact O-CG2 3.26Å; V73-I76 WeakPolarHBondContact O-CG2 3.34Å; V73-I77 HydrophobicContact CG1-CD1 3.8Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CG1 3.49Å; V73-I77 PolarHBondContact O-N 3Å
74S91.4Very high88.7Confident64 Ų6448.9 Ų48.945%0.44825%0.253SS..Hα-helixtrans-64.9-38.6176.152.40000111.9L70 M71 I77 F78L70-S74 WeakPolarHBondContact O-CB 3.24Å; L70-S74 PolarHBondContact O-N 2.94Å; L70-S74 PolarHBondContact O-OG 3.13Å; M71-S74 WeakPolarHBondContact CA-OG 3.27Å; M71-S74 PolarHBondContact O-N 3.49Å; M71-S74 PolarHBondContact O-OG 3.08Å; S74-I77 PolarHBondContact O-N 2.9Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 3.37Å
75L90.8Very high89.3Confident17 Ų1745 Ų459%0.08924%0.238CC..Hα-helixtrans-62.5-48.4177.6-174.975000112.8M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.39Å; M71-L75 PolarHBondContact O-N 3Å; L72-L75 PolarHBondContact O-N 3.21Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.35Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.09Å; L75-F78 PolarHBondContact O-N 2.98Å; L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.49Å; L75-I79 PolarHBondContact O-N 3.5Å; L75-L108 HydrophobicContact CD1-CD1 3.55Å; L75-L108 HydrophobicContact CD2-CD1 3.65Å; L75-L108 HydrophobicContact CG-CD1 4.23Å; L75-F214 HydrophobicContact CD1-CE1 4.12Å; L75-F214 HydrophobicContact CD2-CD1 3.88Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.32Å; L75-F214 HydrophobicContact CG-CE1 4.22Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.54Å; L75-T215 HydrophobicContact CG-CG2 3.75Å
76I91.3Very high89.6Confident17 Ų1745.1 Ų45.19%0.08724%0.24CC..Hα-helixtrans-63.7-40.9-179.4-170.1169.6000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 3.76Å; L72-I76 PolarHBondContact O-N 3.43Å; L72-I76 VanDerWaalsContact O-N 3.08Å; V73-I76 VanDerWaalsContact O-CG2 3.26Å; V73-I76 WeakPolarHBondContact O-CG2 3.34Å; I76-A80 WeakPolarHBondContact O-CB 3.46Å; I76-A80 PolarHBondContact O-N 3.34Å; I76-A211 HydrophobicContact CG1-CB 4.44Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; I76-T215 HydrophobicContact CB-CG2 3.52Å; I76-T215 HydrophobicContact CG1-CG2 4.19Å
77I91.6Very high89.8Confident42 Ų4240.5 Ų40.522%0.21523%0.225CC..Hα-helixtrans-66.9-42.7178.8-63.6164.7000110.3I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.38Å; I31-I77 HydrophobicContact CG1-CG2 4.42Å; I50-I77 HydrophobicContact CD1-CD1 4.04Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å; V73-I77 HydrophobicContact CG1-CD1 3.8Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CG1 3.49Å; V73-I77 PolarHBondContact O-N 3Å; S74-I77 PolarHBondContact O-N 2.9Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.09Å; I77-T81 HydrophobicContact CG2-CG2 4.27Å; I77-T81 WeakPolarHBondContact O-CB 3.35Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.01Å; I77-T81 PolarHBondContact O-N 3.21Å; I77-T81 PolarHBondContact O-OG1 2.96Å
78F91Very high89.9Confident50 Ų5040.4 Ų40.422%0.21922%0.22CC..Hα-helixtrans-60.4-53.8178-179.2-104000111.6I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.33Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 3.37Å; L75-F78 PolarHBondContact O-N 2.98Å; F78-A80 PolarHBondContact O-N 2.9Å; F78-T81 PolarHBondContact O-N 3.11Å; F78-T81 PolarHBondContact O-OG1 3.04Å; F78-T82 HydrophobicContact CD2-CG2 4.36Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.98Å; F78-T82 HydrophobicContact CZ-CG2 3.89Å; F78-T82 WeakPolarHBondContact O-CG2 3.5Å; F78-T82 PolarHBondContact O-N 3.09Å; F78-T82 PolarHBondContact O-OG1 3.33Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; F78-M100 HydrophobicContact CE1-CE 3.83Å; F78-M100 HydrophobicContact CZ-CE 3.74Å; F78-M104 HydrophobicContact CD1-SD 3.91Å; F78-M104 HydrophobicContact CE1-SD 3.59Å; F78-M104 VanDerWaalsContact CE1-SD 3.59Å
79I91.1Very high89.6Confident0 Ų043.5 Ų43.50%025%0.246CC..Hα-helixtrans-65.1-41.9-177.6-60.4168.9000111L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.49Å; L75-I79 PolarHBondContact O-N 3.5Å; I79-T82 WeakPolarHBondContact CA-OG1 3.2Å; I79-T82 PolarHBondContact O-OG1 3.2Å; I79-N83 WeakPolarHBondContact O-CB 3.32Å; I79-N83 PolarHBondContact O-N 3.27Å; I79-N83 PolarHBondContact O-ND2 3.12Å; I79-L160 HydrophobicContact CG2-CD1 4.14Å; I79-L160 HydrophobicContact CG2-CD2 4.1Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; I79-F214 HydrophobicContact CD1-CB 4.23Å; I79-F214 HydrophobicContact CD1-CD1 3.33Å; I79-F214 HydrophobicContact CD1-CD2 4.36Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.72Å; I79-F214 HydrophobicContact CD1-CZ 4.35Å
80A90.7Very high89.4Confident30 Ų3051.5 Ų51.525%0.24828%0.28CS..Hα-helixtrans-63.3-44.317900000111.6I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.46Å; I76-A80 PolarHBondContact O-N 3.34Å; F78-A80 PolarHBondContact O-N 2.9Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.32Å; A80-L84 PolarHBondContact O-N 2.93Å; A80-A211 HydrophobicContact CB-CB 3.92Å
81T91.3Very high89.1Confident32 Ų3245.8 Ų45.820%0.19625%0.252CS..Hα-helixtrans-69.3-41.1179.6530000112.1P27 I77 F78 L85P27-T81 WeakPolarHBondContact CB-OG1 3.45Å; I77-T81 HydrophobicContact CG2-CG2 4.27Å; I77-T81 WeakPolarHBondContact O-CB 3.35Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.01Å; I77-T81 PolarHBondContact O-N 3.21Å; I77-T81 PolarHBondContact O-OG1 2.96Å; F78-T81 PolarHBondContact O-N 3.11Å; F78-T81 PolarHBondContact O-OG1 3.04Å; T81-L85 WeakPolarHBondContact O-CB 3.45Å; T81-L85 PolarHBondContact O-N 2.91Å
82T90.9Very high88.7Confident4 Ų443.8 Ų43.83%0.02524%0.242CC..Hα-helixtrans-64-41.5175.952.20000112.5P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.25Å; P27-T82 HydrophobicContact CG-CG2 3.51Å; F78-T82 HydrophobicContact CD2-CG2 4.36Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.98Å; F78-T82 HydrophobicContact CZ-CG2 3.89Å; F78-T82 WeakPolarHBondContact O-CG2 3.5Å; F78-T82 PolarHBondContact O-N 3.09Å; F78-T82 PolarHBondContact O-OG1 3.33Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; I79-T82 WeakPolarHBondContact CA-OG1 3.2Å; I79-T82 PolarHBondContact O-OG1 3.2Å; T82-G86 PolarHBondContact O-N 3.12Å; T82-G86 VanDerWaalsContact O-N 3.09Å
83N91.1Very high88.4Confident0 Ų044 Ų440%024%0.243CC..Hα-helixtrans-70.2-42.2-180-70.2-12000111.2I79 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact O-CB 3.32Å; I79-N83 PolarHBondContact O-N 3.27Å; I79-N83 PolarHBondContact O-ND2 3.12Å; N83-G86 WeakPolarHBondContact O-CA 3.04Å; N83-G86 PolarHBondContact O-N 3.47Å; N83-G86 VanDerWaalsContact O-N 3.13Å; N83-L87 PolarHBondContact O-N 3.33Å; N83-T95 WeakPolarHBondContact OD1-CB 3.4Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.5Å; N83-T95 PolarHBondContact OD1-OG1 3.32Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.26Å; N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-A207 HydrophobicContact CB-CB 3.88Å; N83-A207 PolarHBondContact ND2-O 3.26Å
84L89.9Confident88Confident98 Ų9843.6 Ų43.651%0.51324%0.241SC..Hα-helixtrans-65.3-43.1178.8-165.585.5000111.5A80 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.32Å; A80-L84 PolarHBondContact O-N 2.93Å; L84-G86 PolarHBondContact O-N 3.07Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-I204 HydrophobicContact CD1-CG2 4.22Å
85L89.8Confident87.7Confident44 Ų4440.6 Ų40.623%0.2322%0.22CC..Hα-helixtrans-59.2-34.3173.5-112.488.1000112.1F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.35Å; F26-L85 HydrophobicContact CE1-CD2 3.63Å; F26-L85 HydrophobicContact CG-CD2 4.47Å; L30-L85 HydrophobicContact CD1-CD1 3.24Å; L30-L85 HydrophobicContact CD1-CD2 4.41Å; L30-L85 HydrophobicContact CD1-CG 4.39Å; T81-L85 WeakPolarHBondContact O-CB 3.45Å; T81-L85 PolarHBondContact O-N 2.91Å; L85-L87 PolarHBondContact O-N 3.19Å; L85-L88 HydrophobicContact CG-CD1 4.22Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.42Å; L85-L88 PolarHBondContact O-N 3.28Å; L85-L88 VanDerWaalsContact O-N 3.12Å; L85-S91 PolarHBondContact O-OG 2.97Å
86G85.7Confident87.5Confident3 Ų340.2 Ų40.23%0.03122%0.218CC..THydrogen-bonded Turntrans-62.7-21.2179.700000117.5T82 N83 L84 L88 S91T82-G86 PolarHBondContact O-N 3.12Å; T82-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 WeakPolarHBondContact O-CA 3.04Å; N83-G86 PolarHBondContact O-N 3.47Å; N83-G86 VanDerWaalsContact O-N 3.13Å; L84-G86 PolarHBondContact O-N 3.07Å; G86-L88 VanDerWaalsContact C-N 3.26Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.36Å; G86-S91 PolarHBondContact O-OG 2.84Å; G86-S91 VanDerWaalsContact O-OG 3.07Å
87L86.6Confident87.4Confident40 Ų4042.2 Ų42.221%0.20923%0.227CC..THydrogen-bonded Turntrans-85.2-5.4177.7-59.9176.6000112N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.33Å; L84-L87 PolarHBondContact O-N 3.47Å; L85-L87 PolarHBondContact O-N 3.19Å; L87-M171 HydrophobicContact CD2-CE 3.99Å; L87-E203 HydrophobicContact CD1-CG 4.36Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L87.4Confident87.1Confident98 Ų9843.5 Ų43.551%0.51323%0.234SC..SBendtrans-68.3143.1174-65173000110.2L85 G86 H90 S91L85-L88 HydrophobicContact CG-CD1 4.22Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.42Å; L85-L88 PolarHBondContact O-N 3.28Å; L85-L88 VanDerWaalsContact O-N 3.12Å; G86-L88 VanDerWaalsContact C-N 3.26Å; L88-H90 PolarHBondContact O-N 2.95Å; L88-S91 WeakPolarHBondContact O-CB 3.22Å; L88-S91 PolarHBondContact O-N 3.29Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 2.81Å
89P82Confident87Confident111 Ų11145.1 Ų45.172%0.72125%0.251SS*.THydrogen-bonded Turntrans-58.8134.6-179.524.9-33.9000110.7S91P89-S91 PolarHBondContact O-N 3.47Å; P89-S91 VanDerWaalsContact O-N 3.14Å
90H82.4Confident86.8Confident197 Ų19746.9 Ų46.991%0.91226%0.26SS*.THydrogen-bonded Turntrans58.418.1-178.9-56.2-64.4000115.6L88L88-H90 PolarHBondContact O-N 2.95Å
91S84.3Confident86.7Confident28 Ų2845.5 Ų45.520%0.19625%0.249CC..  trans-81.6140.5171.970.50000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.97Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.36Å; G86-S91 PolarHBondContact O-OG 2.84Å; G86-S91 VanDerWaalsContact O-OG 3.07Å; L88-S91 WeakPolarHBondContact O-CB 3.22Å; L88-S91 PolarHBondContact O-N 3.29Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 2.81Å; P89-S91 PolarHBondContact O-N 3.47Å; P89-S91 VanDerWaalsContact O-N 3.14Å
92F82.6Confident86.4Confident28 Ų2846 Ų4612%0.12325%0.25CC..  trans-87.9124.5170.8173.6-95.5000109.5S8 T11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.41Å; T11-F92 HydrophobicContact CG2-CZ 4.18Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.16Å; P12-F92 HydrophobicContact CG-CD2 4.46Å; P12-F92 HydrophobicContact CG-CG 4.08Å; A20-F92 HydrophobicContact CB-CE1 4.48Å; I23-F92 HydrophobicContact CD1-CB 4.1Å; I23-F92 HydrophobicContact CD1-CD1 3.98Å; I23-F92 HydrophobicContact CD1-CG 4.4Å; I23-F92 HydrophobicContact CG2-CD1 4.43Å; F92-P94 HydrophobicContact CE1-CB 4.45Å; F92-P94 WeakPolarHBondContact O-CD 3.28Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å
93T84.2Confident86.3Confident4 Ų448.9 Ų48.93%0.02527%0.274CS..  trans-93.6111.7177.8280000111.3T95 T96 I164T93-T95 PolarHBondContact O-N 3.46Å; T93-T96 PolarHBondContact O-N 3.23Å; T93-T96 PolarHBondContact O-OG1 3.34Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.26Å; T93-I164 HydrophobicContact CG2-CG2 4.16Å
94P82.9Confident86.1Confident8 Ų850.1 Ų50.15%0.05228%0.281CS..G310 helixtrans-64.5-23.8176.226.4-33.5000112.7I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.32Å; I24-P94 HydrophobicContact CG1-CB 3.76Å; I24-P94 HydrophobicContact CG1-CG 4.1Å; F92-P94 HydrophobicContact CE1-CB 4.45Å; F92-P94 WeakPolarHBondContact O-CD 3.28Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.37Å; P94-Q97 PolarHBondContact O-N 3.04Å; P94-M100 HydrophobicContact CB-CG 4.4Å; P94-M100 VanDerWaalsContact O-CB 3.28Å; P94-M100 WeakPolarHBondContact O-CB 3.42Å
95T85.3Confident85.9Confident1 Ų145.6 Ų45.61%0.00626%0.257CS..G310 helixtrans-75.2-9.2179.452.20000114.5N83 T93 Q97 N101 L160N83-T95 WeakPolarHBondContact OD1-CB 3.4Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.5Å; N83-T95 PolarHBondContact OD1-OG1 3.32Å; T93-T95 PolarHBondContact O-N 3.46Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 3.14Å; T95-N101 PolarHBondContact O-OD1 3.14Å; T95-L160 HydrophobicContact CG2-CD2 4.41Å
96T85.6Confident85.8Confident9 Ų947.5 Ų47.56%0.05527%0.266CS..G310 helixtrans-73.4-29.1170.556.60000112.3F9 T93 P94 L98 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.89Å; F9-T96 HydrophobicContact CE1-CG2 3.77Å; T93-T96 PolarHBondContact O-N 3.23Å; T93-T96 PolarHBondContact O-OG1 3.34Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.26Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.37Å; T96-L98 PolarHBondContact O-N 3.44Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.68Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å
97Q88.7Confident86Confident59 Ų5951.2 Ų51.228%0.27629%0.29SS..SBendtrans-75.8117.3177.6-65.5-62-3100109.3F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 2.95Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å; P94-Q97 PolarHBondContact O-N 3.04Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.45Å; Q97-S99 VanDerWaalsContact O-N 3.12Å; Q97-M100 PolarHBondContact O-N 3.01Å; Q97-N101 PolarHBondContact O-N 3.06Å
98L86.5Confident86Confident69 Ų6950 Ų5036%0.36128%0.284SS..Hα-helixtrans-55.1-33.4178.5-178.164.2000111.7T96 M100 N101 L102 M154 A157 V158 A161T96-L98 PolarHBondContact O-N 3.44Å; L98-M100 VanDerWaalsContact C-N 3.35Å; L98-M100 PolarHBondContact O-N 3.33Å; L98-N101 PolarHBondContact O-N 3.29Å; L98-L102 VanDerWaalsContact O-CB 3.27Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 PolarHBondContact O-N 3.27Å; L98-M154 HydrophobicContact CD2-CE 4.08Å; L98-A157 HydrophobicContact CD1-CB 4.37Å; L98-V158 HydrophobicContact CD1-CG2 3.79Å; L98-A161 HydrophobicContact CD1-CB 4.45Å
99S87.8Confident85.9Confident84 Ų8447.2 Ų47.259%0.58727%0.267SS*.Hα-helixtrans-57.3-43.3177.357.10000113Q97 A103Q97-S99 PolarHBondContact O-N 3.45Å; Q97-S99 VanDerWaalsContact O-N 3.12Å; S99-A103 VanDerWaalsContact O-CB 3.24Å; S99-A103 WeakPolarHBondContact O-CB 3.42Å; S99-A103 PolarHBondContact O-N 2.95Å
100M87.3Confident86.1Confident38 Ų3843.2 Ų43.219%0.18724%0.243CC..Hα-helixtrans-65.3-47179-175.968.8-173.600110.8I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-CE 4.42Å; I24-M100 HydrophobicContact CD1-SD 4.08Å; I24-M100 HydrophobicContact CG1-CE 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.11Å; F78-M100 HydrophobicContact CE1-CE 3.83Å; F78-M100 HydrophobicContact CZ-CE 3.74Å; P94-M100 HydrophobicContact CB-CG 4.4Å; P94-M100 VanDerWaalsContact O-CB 3.28Å; P94-M100 WeakPolarHBondContact O-CB 3.42Å; Q97-M100 PolarHBondContact O-N 3.01Å; L98-M100 VanDerWaalsContact C-N 3.35Å; L98-M100 PolarHBondContact O-N 3.33Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.24Å; M100-A103 PolarHBondContact O-N 3.48Å; M100-M104 HydrophobicContact CE-CE 4.4Å; M100-M104 HydrophobicContact CE-SD 4.28Å; M100-M104 HydrophobicContact CG-CE 3.98Å; M100-M104 WeakPolarHBondContact O-CG 3.28Å; M100-M104 PolarHBondContact O-N 3.1Å; M100-M104 VanDerWaalsContact O-N 3.09Å
101N88Confident86.2Confident0 Ų034.9 Ų34.90%021%0.21CC..Hα-helixtrans-66.5-38-178.9-65-12.5000111.8T95 Q97 L98 M104 A105 A157 L160 A161T95-N101 PolarHBondContact O-ND2 3.14Å; T95-N101 PolarHBondContact O-OD1 3.14Å; Q97-N101 PolarHBondContact O-N 3.06Å; L98-N101 PolarHBondContact O-N 3.29Å; N101-M104 PolarHBondContact O-N 3.16Å; N101-A105 VanDerWaalsContact O-CB 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.29Å; N101-A105 PolarHBondContact O-N 2.84Å; N101-A157 HydrophobicContact CB-CB 3.86Å; N101-A157 PolarHBondContact ND2-O 3.2Å; N101-L160 HydrophobicContact CB-CD2 4.43Å; N101-L160 WeakPolarHBondContact ND2-CG 3.19Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.11Å; N101-A161 WeakPolarHBondContact ND2-CB 3.31Å; N101-A161 PolarHBondContact ND2-N 3.09Å; N101-A161 VanDerWaalsContact ND2-N 3.14Å
102L86.1Confident86.2Confident42 Ų4233.6 Ų33.622%0.2220%0.201CC..Hα-helixtrans-70.4-38.2178.2-158.367.8000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.27Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 PolarHBondContact O-N 3.27Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.24Å; L102-M104 PolarHBondContact O-N 3.41Å; L102-A105 PolarHBondContact O-N 3.26Å; L102-I106 HydrophobicContact CD1-CD1 3.96Å; L102-I106 HydrophobicContact CD1-CG1 4.04Å; L102-I106 HydrophobicContact CD2-CD1 3.95Å; L102-I106 HydrophobicContact CG-CD1 3.53Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 3.01Å; L102-M154 HydrophobicContact CD1-SD 3.34Å; L102-M154 WeakPolarHBondContact CD1-SD 3.33Å; L102-M154 HydrophobicContact CD2-SD 4.13Å; L102-M154 HydrophobicContact CG-SD 4.39Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 3.9Å
103A88.8Confident86.1Confident66 Ų6633 Ų3355%0.54520%0.2SC..Hα-helixtrans-62.8-29.2172.900000112.8S99 M100 P107S99-A103 VanDerWaalsContact O-CB 3.24Å; S99-A103 WeakPolarHBondContact O-CB 3.42Å; S99-A103 PolarHBondContact O-N 2.95Å; M100-A103 PolarHBondContact O-N 3.48Å; A103-P107 WeakPolarHBondContact O-CD 3.49Å; A103-P107 WeakPolarHBondContact O-CG 3.3Å
104M85.8Confident86.1Confident26 Ų2637.4 Ų37.413%0.12822%0.222CC..Hα-helixtrans-79.9-45171.7-68.7-175.9-73.800112.3F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.91Å; F78-M104 HydrophobicContact CE1-SD 3.59Å; F78-M104 VanDerWaalsContact CE1-SD 3.59Å; M100-M104 HydrophobicContact CE-CE 4.4Å; M100-M104 HydrophobicContact CE-SD 4.28Å; M100-M104 HydrophobicContact CG-CE 3.98Å; M100-M104 WeakPolarHBondContact O-CG 3.28Å; M100-M104 PolarHBondContact O-N 3.1Å; M100-M104 VanDerWaalsContact O-N 3.09Å; N101-M104 PolarHBondContact O-N 3.16Å; L102-M104 PolarHBondContact O-N 3.41Å; M104-L108 VanDerWaalsContact O-CD1 3.27Å; M104-L108 WeakPolarHBondContact O-CD1 3.39Å; M104-L108 WeakPolarHBondContact O-CG 3.48Å
105A86.5Confident86Confident2 Ų239.2 Ų39.22%0.01723%0.231CC..Hα-helixtrans-71.5-44.9-171.700000113.6N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.32Å; N101-A105 WeakPolarHBondContact O-CB 3.29Å; N101-A105 PolarHBondContact O-N 2.84Å; L102-A105 PolarHBondContact O-N 3.26Å; A105-L108 PolarHBondContact O-N 3.25Å; A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.19Å; A105-W109 PolarHBondContact O-N 2.94Å; A105-A157 HydrophobicContact CB-CB 4.2Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.13Å
106I87.6Confident85.5Confident84 Ų8439.2 Ų39.243%0.43123%0.231SC..Hα-helixtrans-62.4-49.8-174.8-66.5176.2000111.9L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.96Å; L102-I106 HydrophobicContact CD1-CG1 4.04Å; L102-I106 HydrophobicContact CD2-CD1 3.95Å; L102-I106 HydrophobicContact CG-CD1 3.53Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 3.01Å; I106-L108 PolarHBondContact O-N 2.81Å; I106-W109 PolarHBondContact O-N 3.36Å; I106-A110 WeakPolarHBondContact O-CB 3.4Å; I106-A110 PolarHBondContact O-N 3.5Å
107P89.2Confident85.1Confident81 Ų8142.8 Ų42.853%0.52625%0.246SC..Hα-helixtrans-64.9-38.2-178.7-2436.6000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.49Å; A103-P107 WeakPolarHBondContact O-CG 3.3Å; P107-G111 PolarHBondContact O-N 3.44Å
108L87.3Confident84.5Confident16 Ų1650.2 Ų50.28%0.08427%0.271CS..Hα-helixtrans-65-46.8178-74.9167.9000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.66Å; M71-L108 HydrophobicContact CG-CD2 3.92Å; M71-L108 HydrophobicContact SD-CD2 3.57Å; M71-L108 VanDerWaalsContact SD-CD2 3.57Å; L75-L108 HydrophobicContact CD1-CD1 3.55Å; L75-L108 HydrophobicContact CD2-CD1 3.65Å; L75-L108 HydrophobicContact CG-CD1 4.23Å; M104-L108 VanDerWaalsContact O-CD1 3.27Å; M104-L108 WeakPolarHBondContact O-CD1 3.39Å; M104-L108 WeakPolarHBondContact O-CG 3.48Å; A105-L108 PolarHBondContact O-N 3.25Å; I106-L108 PolarHBondContact O-N 2.81Å; L108-G111 PolarHBondContact O-N 3.23Å; L108-A112 PolarHBondContact O-N 2.69Å; L108-A112 VanDerWaalsContact O-N 3.08Å; L108-F214 HydrophobicContact CD1-CE1 4.18Å; L108-V218 HydrophobicContact CB-CG1 4.36Å
109W85.8Confident83.6Confident39 Ų3949.1 Ų49.115%0.14827%0.27CS..Hα-helixtrans-64.1-47.5176.3172.990000111.5A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.19Å; A105-W109 PolarHBondContact O-N 2.94Å; I106-W109 PolarHBondContact O-N 3.36Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.18Å; W109-A112 PolarHBondContact O-N 3.39Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.29Å; W109-V113 PolarHBondContact O-N 3.14Å; W109-L149 HydrophobicContact CH2-CD2 4.1Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.89Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.45Å; W109-L149 PolarHBondContact NE1-O 3.37Å; W109-L150 HydrophobicContact CH2-CD2 3.72Å; W109-L150 HydrophobicContact CZ2-CD2 4.24Å; W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.35Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.78Å
110A85Confident82.7Confident27 Ų2749.7 Ų49.722%0.22326%0.261CS..Hα-helixtrans-60.6-41.1179.100000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.4Å; I106-A110 PolarHBondContact O-N 3.5Å; A110-V113 PolarHBondContact O-N 3.06Å; A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.38Å; A110-I114 WeakPolarHBondContact O-CD1 3.49Å; A110-I114 WeakPolarHBondContact O-CG1 3.35Å; A110-I114 PolarHBondContact O-N 3.41Å
111G85.3Confident81.6Confident22 Ų2253 Ų5323%0.22728%0.279CS..Hα-helixtrans-60.5-44.2174.900000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.44Å; L108-G111 PolarHBondContact O-N 3.23Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.18Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.44Å; G111-M115 PolarHBondContact O-N 2.84Å
112A83.2Confident80.3Confident1 Ų162 Ų621%0.00832%0.318CS..Hα-helixtrans-63.5-45.6176.900000111.9L108 W109 M115 G116L108-A112 PolarHBondContact O-N 2.69Å; L108-A112 VanDerWaalsContact O-N 3.08Å; W109-A112 PolarHBondContact O-N 3.39Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.37Å; A112-G116 PolarHBondContact O-N 3.33Å
113V82.3Confident79.3Confident15 Ų1564.7 Ų64.79%0.09133%0.333CS..Hα-helixtrans-65-46.1178.81720000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.29Å; W109-V113 PolarHBondContact O-N 3.14Å; A110-V113 PolarHBondContact O-N 3.06Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.14Å; V113-G116 PolarHBondContact O-N 2.91Å; V113-G116 VanDerWaalsContact O-N 3.15Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.32Å; V113-F117 HydrophobicContact CG1-CZ 4.47Å; V113-F117 WeakPolarHBondContact O-CD2 3.4Å; V113-F117 PolarHBondContact O-N 3.5Å
114I83.6Confident78Confident96 Ų9662.5 Ų62.549%0.49231%0.314SS..Hα-helixtrans-61.3-39.2176.7-68.4163.8000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.38Å; A110-I114 WeakPolarHBondContact O-CD1 3.49Å; A110-I114 WeakPolarHBondContact O-CG1 3.35Å; A110-I114 PolarHBondContact O-N 3.41Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 2.92Å; I114-R118 HydrophobicContact CG2-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CB 3.39Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.28Å; I114-R118 PolarHBondContact O-N 2.93Å
115M80.1Confident76.9Confident47 Ų4765.9 Ų65.923%0.23233%0.332CS..Hα-helixtrans-66.1-37.4176.2-171.3165-179.800112.2W68 G111 A112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 4Å; W68-M115 PolarHBondContact NE1-SD 3.43Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.44Å; G111-M115 PolarHBondContact O-N 2.84Å; A112-M115 PolarHBondContact O-N 3.37Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.14Å; M115-R118 PolarHBondContact O-N 3.33Å; M115-S119 WeakPolarHBondContact O-CB 3.43Å; M115-S119 PolarHBondContact O-N 3.27Å; M115-S119 PolarHBondContact O-OG 2.84Å; M115-L222 HydrophobicContact SD-CD1 4.28Å
116G75.3Confident75.7Confident1 Ų168.1 Ų68.11%0.0135%0.351CS..Hα-helixtrans-61.5-50.5172.500000112.8A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.33Å; V113-G116 PolarHBondContact O-N 2.91Å; V113-G116 VanDerWaalsContact O-N 3.15Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.34Å; G116-S119 PolarHBondContact O-N 3.27Å; G116-S119 PolarHBondContact O-OG 3.22Å; G116-K120 PolarHBondContact O-N 3.33Å; G116-N225 VanDerWaalsContact CA-O 3.24Å; G116-N225 WeakPolarHBondContact CA-O 3.42Å
117F77Confident74.5Confident83 Ų8369.5 Ų69.536%0.36436%0.355SS..Hα-helixtrans-60-40.5175.6-76.2-61.5000112.2V113 I114 I121 A124 L125V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.32Å; V113-F117 HydrophobicContact CG1-CZ 4.47Å; V113-F117 WeakPolarHBondContact O-CD2 3.4Å; V113-F117 PolarHBondContact O-N 3.5Å; I114-F117 PolarHBondContact O-N 2.92Å; F117-I121 WeakPolarHBondContact O-CG1 3.39Å; F117-A124 HydrophobicContact CD1-CB 4.27Å; F117-A124 HydrophobicContact CE1-CB 4.36Å; F117-L125 HydrophobicContact CD1-CD1 4.27Å; F117-L125 HydrophobicContact CE1-CD1 3.88Å
118R75.9Confident73.1Confident215 Ų21567.4 Ų67.481%0.81134%0.338SS*.Hα-helixtrans-70.1-33.5179-73.8179.869.4-166.32.2113.5I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CB 3.39Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.28Å; I114-R118 PolarHBondContact O-N 2.93Å; M115-R118 PolarHBondContact O-N 3.33Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.34Å
119S67.9Low71.8Confident47 Ų4769.4 Ų69.433%0.32935%0.348SS..Hα-helixtrans-89.3-39.8-172.874.70000113.5M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.43Å; M115-S119 PolarHBondContact O-N 3.27Å; M115-S119 PolarHBondContact O-OG 2.84Å; G116-S119 PolarHBondContact O-N 3.27Å; G116-S119 PolarHBondContact O-OG 3.22Å; S119-N225 PolarHBondContact OG-O 3.48Å
120K68.5Low70.5Confident95 Ų9570.9 Ų70.941%0.41336%0.363SS..  trans-147.973-176.8-67.5175.7-178157.30111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.33Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.32Å; K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.24Å; K120-N123 PolarHBondContact O-N 3.13Å; K120-N123 VanDerWaalsContact O-N 3.12Å; K120-A124 WeakPolarHBondContact O-CB 2.98Å; K120-A124 PolarHBondContact O-N 2.9Å; K120-T226 WeakPolarHBondContact CE-O 3.41Å; K120-T226 VanDerWaalsContact NZ-C 3.35Å; K120-T226 PolarHBondContact NZ-O 3.41Å; K120-T226 PolarHBondContact NZ-OXT 3.07Å
121I63.8Low69.3Low108 Ų10879.1 Ų79.155%0.55440%0.397SS*.Hα-helixtrans-48.2-47.7176.6-59.5171.4000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.39Å; I121-N123 PolarHBondContact O-N 3.22Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 WeakPolarHBondContact O-CD1 3.34Å; I121-L125 PolarHBondContact O-N 3.36Å
122K61.6Low68.1Low189 Ų18981.9 Ų81.982%0.82243%0.426SS*.Hα-helixtrans-66.3-37.5-176.5-65.3-176.3179.4-177.50113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.32Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.39Å; K122-A126 PolarHBondContact O-N 2.7Å
123N65.4Low67.5Low99 Ų9983.6 Ų83.653%0.52944%0.436SS..Hα-helixtrans-79.6-36.2-178.3-150.857.1000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.24Å; K120-N123 PolarHBondContact O-N 3.13Å; K120-N123 VanDerWaalsContact O-N 3.12Å; I121-N123 PolarHBondContact O-N 3.22Å; N123-A126 PolarHBondContact O-N 3.2Å; N123-H127 PolarHBondContact O-N 2.83Å; N123-H127 VanDerWaalsContact O-N 3.08Å
124A61.6Low67Low19 Ų1986.4 Ų86.416%0.15746%0.455CS..Hα-helixtrans-63-42.2173.100000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.27Å; F117-A124 HydrophobicContact CE1-CB 4.36Å; K120-A124 WeakPolarHBondContact O-CB 2.98Å; K120-A124 PolarHBondContact O-N 2.9Å; A124-H127 PolarHBondContact O-N 2.96Å
125L62Low66.6Low97 Ų9787.6 Ų87.651%0.50847%0.466SS..Hα-helixtrans-71-31.8174.4-89.280.7000112.9F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.27Å; F117-L125 HydrophobicContact CE1-CD1 3.88Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 WeakPolarHBondContact O-CD1 3.34Å; I121-L125 PolarHBondContact O-N 3.36Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.07Å; L125-F128 WeakPolarHBondContact O-CB 3.43Å; L125-F128 PolarHBondContact O-N 2.97Å
126A60.8Low66.6Low49 Ų4990.3 Ų90.341%0.40549%0.487SS..Hα-helixtrans-68.3-27.5176.200000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.39Å; K122-A126 PolarHBondContact O-N 2.7Å; N123-A126 PolarHBondContact O-N 3.2Å; A126-F128 PolarHBondContact O-N 3.41Å; A126-L129 CarbonylContact O-C 3.57Å; A126-L129 PolarHBondContact O-N 2.98Å
127H62.8Low66.8Low113 Ų11395.1 Ų95.152%0.52351%0.512SS..THydrogen-bonded Turntrans-65-23.1174.9-159.9-55.2000112.7N123 A124 L125 L129N123-H127 PolarHBondContact O-N 2.83Å; N123-H127 VanDerWaalsContact O-N 3.08Å; A124-H127 PolarHBondContact O-N 2.96Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.07Å; H127-L129 PolarHBondContact O-N 3.44Å
128F60.9Low66.9Low38 Ų3893.6 Ų93.617%0.16751%0.507CS..THydrogen-bonded Turntrans-68-12.8173-67.6-56.5000113.3L125 A126 L141 E145 T146 L149L125-F128 WeakPolarHBondContact O-CB 3.43Å; L125-F128 PolarHBondContact O-N 2.97Å; A126-F128 PolarHBondContact O-N 3.41Å; F128-L141 VanDerWaalsContact O-CD2 3.3Å; F128-L141 WeakPolarHBondContact O-CD2 3.26Å; F128-E145 HydrophobicContact CD1-CB 4.2Å; F128-E145 HydrophobicContact CD1-CG 3.83Å; F128-T146 HydrophobicContact CD1-CG2 4.12Å; F128-T146 HydrophobicContact CE1-CG2 3.85Å; F128-T146 HydrophobicContact CZ-CG2 4.32Å; F128-L149 HydrophobicContact CE1-CD1 4.5Å
129L58.5Low67Low58 Ų5887.3 Ų87.330%0.30449%0.494SS..SBendtrans-131.6106.6-177.6-134.377000111.9A126 H127 Q131 I138 L141 V142A126-L129 CarbonylContact O-C 3.57Å; A126-L129 PolarHBondContact O-N 2.98Å; H127-L129 PolarHBondContact O-N 3.44Å; L129-Q131 PolarHBondContact O-N 2.98Å; L129-I138 HydrophobicContact CD1-CB 4.47Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.14Å; L129-I138 HydrophobicContact CD2-CG1 4.18Å; L129-I138 HydrophobicContact CD2-CG2 4.03Å; L129-L141 HydrophobicContact CD1-CD2 4.44Å; L129-V142 HydrophobicContact CD1-CG2 3.42Å; L129-V142 VanDerWaalsContact CD1-CG2 3.42Å
130P59.2Low67.7Low69 Ų6990.5 Ų90.545%0.44851%0.505SS..  trans-63.2137170.721.1-23.2000109.6G132 T133 L141P130-G132 PolarHBondContact O-N 2.97Å; P130-T133 HydrophobicContact CG-CG2 3.78Å; P130-T133 WeakPolarHBondContact O-CG2 3.37Å; P130-T133 PolarHBondContact O-OG1 3.35Å; P130-L141 HydrophobicContact CG-CD1 3.86Å; P130-L141 HydrophobicContact CG-CD2 4.05Å
131Q59.6Low68.4Low200 Ų20088.2 Ų88.294%0.93550%0.498SS*.THydrogen-bonded Turntrans-66131.8-177.3-60.3-143.3-1.600110.4L129L129-Q131 PolarHBondContact O-N 2.98Å
132G61.3Low69.2Low81 Ų8185.4 Ų85.484%0.83549%0.485SS*.THydrogen-bonded Turntrans96.414.617900000115.7P130P130-G132 PolarHBondContact O-N 2.97Å
133T69.6Low70.3Confident36 Ų3680.7 Ų80.722%0.22147%0.468CS..  trans-75.5136.1175.844.40000112.4P130 L141P130-T133 HydrophobicContact CG-CG2 3.78Å; P130-T133 WeakPolarHBondContact O-CG2 3.37Å; P130-T133 PolarHBondContact O-OG1 3.35Å; T133-L141 HydrophobicContact CG2-CD1 3.97Å
134P72Confident71.2Confident75 Ų7580.5 Ų80.549%0.48747%0.466SS..  trans-61.6137.2175.3-18.429.2000111.3P136 L137P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 HydrophobicContact CB-CG 4.48Å; P134-P136 WeakPolarHBondContact O-CD 3.33Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P134-L137 HydrophobicContact CB-CD1 4.41Å; P134-L137 HydrophobicContact CG-CD1 4.04Å; P134-L137 PolarHBondContact O-N 3.32Å
135T74.9Confident72.2Confident120 Ų12082.4 Ų82.474%0.73647%0.472SS*.THydrogen-bonded Turntrans-48.1-35-177.246.50000116.6I138T135-I138 HydrophobicContact CG2-CD1 4.44Å
136P81.1Confident73.1Confident104 Ų10480.2 Ų80.268%0.67546%0.462SS*.THydrogen-bonded Turntrans-75.9-21.317826.7-33.9000114.8P134P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 HydrophobicContact CB-CG 4.48Å; P134-P136 WeakPolarHBondContact O-CD 3.33Å; P134-P136 VanDerWaalsContact O-N 3.09Å
137L78.8Confident74.2Confident103 Ų10382 Ų8254%0.53946%0.464SS..THydrogen-bonded Turntrans-89.4-12.5-176.9-68.7168.1000113.3P134 M140 L141P134-L137 HydrophobicContact CB-CD1 4.41Å; P134-L137 HydrophobicContact CG-CD1 4.04Å; P134-L137 PolarHBondContact O-N 3.32Å; L137-M140 PolarHBondContact O-N 3.08Å; L137-L141 PolarHBondContact O-N 2.9Å; L137-L141 VanDerWaalsContact O-N 3.11Å
138I78Confident75.2Confident50 Ų5079 Ų7926%0.25646%0.457SS..Hα-helixtrans-53.3-49.9-177.8-67.8177.8000112.4L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CB 4.47Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.14Å; L129-I138 HydrophobicContact CD2-CG1 4.18Å; L129-I138 HydrophobicContact CD2-CG2 4.03Å; T135-I138 HydrophobicContact CG2-CD1 4.44Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.43Å; I138-L141 PolarHBondContact O-N 3.48Å; I138-V142 WeakPolarHBondContact O-CG2 3.12Å; I138-V142 PolarHBondContact O-N 3.27Å
139P78.6Confident76.2Confident83 Ų8379.5 Ų79.554%0.53946%0.46SS..Hα-helixtrans-65.3-37.2-175.4-20.533.6000112.9I143P139-I143 WeakPolarHBondContact O-CG1 3.21Å; P139-I143 PolarHBondContact O-N 3.49Å
140M82Confident77.3Confident114 Ų11481.9 Ų81.956%0.56247%0.473SS*.Hα-helixtrans-69.1-40.8179.1-173.963.9-17200111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.08Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.43Å; M140-I143 PolarHBondContact O-N 3.49Å; M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.16Å; M140-I144 HydrophobicContact CG-CD1 4.14Å; M140-I144 WeakPolarHBondContact O-CG1 3.22Å; M140-I144 PolarHBondContact O-N 3.43Å; M140-I144 VanDerWaalsContact O-N 3.12Å
141L83.9Confident78.5Confident47 Ų4783.3 Ų83.325%0.24648%0.476CS..Hα-helixtrans-67-39.9-178.3-170147.5000112.1F128 L129 P130 T133 L137 I138 I143 I144 E145F128-L141 VanDerWaalsContact O-CD2 3.3Å; F128-L141 WeakPolarHBondContact O-CD2 3.26Å; L129-L141 HydrophobicContact CD1-CD2 4.44Å; P130-L141 HydrophobicContact CG-CD1 3.86Å; P130-L141 HydrophobicContact CG-CD2 4.05Å; T133-L141 HydrophobicContact CG2-CD1 3.97Å; L137-L141 PolarHBondContact O-N 2.9Å; L137-L141 VanDerWaalsContact O-N 3.11Å; I138-L141 PolarHBondContact O-N 3.48Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.96Å; L141-I144 PolarHBondContact O-N 2.9Å; L141-E145 WeakPolarHBondContact O-CB 3.39Å; L141-E145 PolarHBondContact O-N 2.73Å
142V80.3Confident79.6Confident49 Ų4977.1 Ų77.130%0.29745%0.447SS..Hα-helixtrans-60.7-40175.7175.20000111.1L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.42Å; L129-V142 VanDerWaalsContact CD1-CG2 3.42Å; I138-V142 WeakPolarHBondContact O-CG2 3.12Å; I138-V142 PolarHBondContact O-N 3.27Å; V142-E145 PolarHBondContact O-N 3.47Å; V142-T146 HydrophobicContact CG1-CG2 4.38Å; V142-T146 WeakPolarHBondContact O-CB 3.44Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.17Å; V142-T146 PolarHBondContact O-N 3.46Å; V142-T146 PolarHBondContact O-OG1 3.28Å
143I84.2Confident80.4Confident91 Ų9173.8 Ų73.847%0.46741%0.41SS..Hα-helixtrans-64.2-44.2176.8-66.1167.1000110.7P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.21Å; P139-I143 PolarHBondContact O-N 3.49Å; M140-I143 PolarHBondContact O-N 3.49Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.96Å; I143-T146 WeakPolarHBondContact CA-OG1 3.3Å; I143-T146 PolarHBondContact O-OG1 2.96Å; I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.38Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.44Å; I143-I147 VanDerWaalsContact O-N 3.07Å
144I85.4Confident81Confident94 Ų9475.8 Ų75.848%0.48242%0.418SS..Hα-helixtrans-65.1-43.3179.3-64.3166.4000111M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.16Å; M140-I144 HydrophobicContact CG-CD1 4.14Å; M140-I144 WeakPolarHBondContact O-CG1 3.22Å; M140-I144 PolarHBondContact O-N 3.43Å; M140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 2.9Å; I144-I147 PolarHBondContact O-N 3.47Å; I144-S148 WeakPolarHBondContact O-CB 3.38Å; I144-S148 PolarHBondContact O-N 3.12Å
145E83.1Confident81.5Confident59 Ų5974.1 Ų74.128%0.27641%0.411SS..Hα-helixtrans-67.5-39.5-178.5-166.661.8-160.500111.8F128 L141 V142 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.2Å; F128-E145 HydrophobicContact CD1-CG 3.83Å; L141-E145 WeakPolarHBondContact O-CB 3.39Å; L141-E145 PolarHBondContact O-N 2.73Å; V142-E145 PolarHBondContact O-N 3.47Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.42Å; E145-S148 WeakPolarHBondContact O-CB 3.4Å; E145-S148 PolarHBondContact O-N 3.15Å; E145-L149 WeakPolarHBondContact O-CB 3.18Å; E145-L149 PolarHBondContact O-N 3.49Å
146T80.2Confident81.7Confident51 Ų5168.7 Ų68.731%0.31338%0.377SS..Hα-helixtrans-63.7-38.817452.10000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.12Å; F128-T146 HydrophobicContact CE1-CG2 3.85Å; F128-T146 HydrophobicContact CZ-CG2 4.32Å; V142-T146 HydrophobicContact CG1-CG2 4.38Å; V142-T146 WeakPolarHBondContact O-CB 3.44Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.17Å; V142-T146 PolarHBondContact O-N 3.46Å; V142-T146 PolarHBondContact O-OG1 3.28Å; I143-T146 WeakPolarHBondContact CA-OG1 3.3Å; I143-T146 PolarHBondContact O-OG1 2.96Å; T146-L150 WeakPolarHBondContact O-CG 3.42Å; T146-L150 PolarHBondContact O-N 3.38Å
147I84.7Confident81.8Confident86 Ų8663.7 Ų63.744%0.44135%0.345SS..Hα-helixtrans-66.8-43.8173.5-67.9166.7000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.38Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.44Å; I143-I147 VanDerWaalsContact O-N 3.07Å; I144-I147 PolarHBondContact O-N 3.47Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.42Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.87Å; I147-L150 PolarHBondContact O-N 2.98Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.47Å; I147-I151 PolarHBondContact O-N 3.22Å
148S82.9Confident82.1Confident52 Ų5261.9 Ų61.936%0.36434%0.338SS..Hα-helixtrans-57.5-46.2178.3-176.10000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.38Å; I144-S148 PolarHBondContact O-N 3.12Å; E145-S148 WeakPolarHBondContact O-CB 3.4Å; E145-S148 PolarHBondContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.17Å; S148-I151 PolarHBondContact O-N 2.97Å; S148-Q152 PolarHBondContact O-N 3.49Å; S148-Q152 VanDerWaalsContact O-N 3.15Å
149L82Confident82.5Confident47 Ų4764.3 Ų64.325%0.24634%0.344CS..Hα-helixtrans-60.5-36177.3-175.2123.1000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.1Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.89Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.45Å; W109-L149 PolarHBondContact NE1-O 3.37Å; F128-L149 HydrophobicContact CE1-CD1 4.5Å; E145-L149 WeakPolarHBondContact O-CB 3.18Å; E145-L149 PolarHBondContact O-N 3.49Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.87Å; L149-P153 WeakPolarHBondContact O-CD 3.23Å
150L81.1Confident82.6Confident108 Ų10860.3 Ų60.357%0.56532%0.318SS*.Hα-helixtrans-78.2-34.7177.2-71.6173.3000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.72Å; W109-L150 HydrophobicContact CZ2-CD2 4.24Å; T146-L150 WeakPolarHBondContact O-CG 3.42Å; T146-L150 PolarHBondContact O-N 3.38Å; I147-L150 PolarHBondContact O-N 2.98Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.17Å; L150-P153 WeakPolarHBondContact O-CD 3.27Å; L150-P153 WeakPolarHBondContact O-CG 3.5Å
151I84.5Confident82.7Confident100 Ų10055.3 Ų55.351%0.51329%0.294SS..Hα-helixtrans-72.2-31.7-179.3-69.9173.5000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.47Å; I147-I151 PolarHBondContact O-N 3.22Å; S148-I151 PolarHBondContact O-N 2.97Å; I151-M154 WeakPolarHBondContact O-CB 3.08Å; I151-M154 PolarHBondContact O-N 3.41Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.45Å; I151-A155 PolarHBondContact O-N 3.45Å
152Q82.6Confident82.7Confident69 Ų6955 Ų5532%0.32230%0.299SS..Hα-helixtrans-51.4-53-177.1-110.3175.1-17.200116.1S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.49Å; S148-Q152 VanDerWaalsContact O-N 3.15Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.9Å; Q152-A155 PolarHBondContact O-N 2.97Å; Q152-L156 PolarHBondContact O-N 3.32Å; Q152-Y221 HydrophobicContact CG-CE1 4.33Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.42Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.13Å; Q152-Y221 PolarHBondContact OE1-OH 3.27Å
153P77.8Confident83.1Confident11 Ų1155.6 Ų55.67%0.07130%0.3CS..Hα-helixtrans-64.5-34.4178.324.2-34.7000112.3W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.35Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.78Å; L149-P153 WeakPolarHBondContact O-CD 3.23Å; L150-P153 WeakPolarHBondContact O-CD 3.27Å; L150-P153 WeakPolarHBondContact O-CG 3.5Å; P153-L156 PolarHBondContact O-N 3.39Å; P153-A157 PolarHBondContact O-N 2.83Å; P153-A157 VanDerWaalsContact O-N 3.15Å
154M82.1Confident83.1Confident79 Ų7951.4 Ų51.439%0.38928%0.279SS..Hα-helixtrans-66.3-45.8175.2-169.867.8-17300111L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.08Å; L102-M154 HydrophobicContact CD1-SD 3.34Å; L102-M154 WeakPolarHBondContact CD1-SD 3.33Å; L102-M154 HydrophobicContact CD2-SD 4.13Å; L102-M154 HydrophobicContact CG-SD 4.39Å; I151-M154 WeakPolarHBondContact O-CB 3.08Å; I151-M154 PolarHBondContact O-N 3.41Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.9Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.05Å; M154-A157 PolarHBondContact O-N 2.93Å; M154-V158 HydrophobicContact CE-CG2 4.15Å; M154-V158 VanDerWaalsContact O-CG2 3.32Å; M154-V158 WeakPolarHBondContact O-CG2 3.18Å; M154-V158 PolarHBondContact O-N 3.2Å
155A84Confident83.2Confident39 Ų3948.8 Ų48.832%0.32227%0.267SS..Hα-helixtrans-61.9-37.4178.400000111.9I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.45Å; I151-A155 PolarHBondContact O-N 3.45Å; Q152-A155 PolarHBondContact O-N 2.97Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.45Å; A155-R159 PolarHBondContact O-N 2.86Å
156L79Confident83.4Confident6 Ų648.5 Ų48.53%0.03128%0.275CS..Hα-helixtrans-62.4-48175.1-16383000111.8Q152 P153 M154 R159 L160 F214 L217 V218Q152-L156 PolarHBondContact O-N 3.32Å; P153-L156 PolarHBondContact O-N 3.39Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.05Å; L156-R159 PolarHBondContact O-N 3.47Å; L156-L160 PolarHBondContact O-N 3.4Å; L156-F214 HydrophobicContact CD1-CD2 4.25Å; L156-F214 HydrophobicContact CD2-CD1 4.14Å; L156-F214 HydrophobicContact CD2-CD2 3.31Å; L156-F214 HydrophobicContact CD2-CE1 4.04Å; L156-F214 HydrophobicContact CD2-CE2 3.18Å; L156-F214 HydrophobicContact CD2-CG 3.8Å; L156-F214 HydrophobicContact CD2-CZ 3.57Å; L156-F214 HydrophobicContact CG-CD2 3.43Å; L156-F214 VanDerWaalsContact CG-CD2 3.43Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.48Å; L156-L217 HydrophobicContact CD1-CB 3.94Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.27Å; L156-V218 HydrophobicContact CD2-CG2 4.31Å
157A82.1Confident83.8Confident0 Ų046.3 Ų46.30%026%0.263CS..Hα-helixtrans-64.8-43.218000000112.1L98 N101 L102 A105 P153 M154 L160 A161L98-A157 HydrophobicContact CD1-CB 4.37Å; N101-A157 HydrophobicContact CB-CB 3.86Å; N101-A157 PolarHBondContact ND2-O 3.2Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 3.9Å; A105-A157 HydrophobicContact CB-CB 4.2Å; P153-A157 PolarHBondContact O-N 2.83Å; P153-A157 VanDerWaalsContact O-N 3.15Å; M154-A157 PolarHBondContact O-N 2.93Å; A157-L160 PolarHBondContact O-N 2.88Å; A157-A161 PolarHBondContact O-N 3.34Å; A157-A161 VanDerWaalsContact O-N 3.16Å
158V85.8Confident83.9Confident65 Ų6543.8 Ų43.839%0.39425%0.249SC..Hα-helixtrans-64.2-41.5176.11730000110.9L98 M154 L160 A161 A162L98-V158 HydrophobicContact CD1-CG2 3.79Å; M154-V158 HydrophobicContact CE-CG2 4.15Å; M154-V158 VanDerWaalsContact O-CG2 3.32Å; M154-V158 WeakPolarHBondContact O-CG2 3.18Å; M154-V158 PolarHBondContact O-N 3.2Å; V158-L160 VanDerWaalsContact C-N 3.31Å; V158-L160 PolarHBondContact O-N 3.33Å; V158-A161 PolarHBondContact O-N 3.23Å; V158-A162 WeakPolarHBondContact O-CB 3.42Å; V158-A162 PolarHBondContact O-N 3.14Å
159R86.1Confident84.2Confident100 Ų10043.4 Ų43.438%0.37724%0.243SC..Hα-helixtrans-59.1-42.6179-168-172.3-60.9154.52.4112A155 L156 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.45Å; A155-R159 PolarHBondContact O-N 2.86Å; L156-R159 PolarHBondContact O-N 3.47Å; R159-N163 WeakPolarHBondContact O-CB 3.36Å; R159-N163 VanDerWaalsContact O-CG 3.25Å; R159-N163 PolarHBondContact O-N 2.76Å; R159-N163 PolarHBondContact O-ND2 3Å; R159-Q210 VanDerWaalsContact CG-NE2 3.3Å
160L80.6Confident84.5Confident0 Ų044.9 Ų44.90%025%0.25CS..Hα-helixtrans-67.1-45.4178.9176.664.1000111.2I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.14Å; I79-L160 HydrophobicContact CG2-CD2 4.1Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.26Å; T95-L160 HydrophobicContact CG2-CD2 4.41Å; N101-L160 HydrophobicContact CB-CD2 4.43Å; N101-L160 WeakPolarHBondContact ND2-CG 3.19Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.11Å; L156-L160 PolarHBondContact O-N 3.4Å; A157-L160 PolarHBondContact O-N 2.88Å; V158-L160 VanDerWaalsContact C-N 3.31Å; V158-L160 PolarHBondContact O-N 3.33Å; L160-I164 HydrophobicContact CD1-CG1 4.35Å; L160-I164 WeakPolarHBondContact O-CG1 3.25Å; L160-I164 PolarHBondContact O-N 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.2Å; L160-Q210 HydrophobicContact CD1-CB 4.37Å; L160-Q210 HydrophobicContact CD1-CG 3.44Å; L160-Q210 VanDerWaalsContact CD1-CG 3.44Å; L160-Q210 HydrophobicContact CG-CG 4.41Å; L160-F214 HydrophobicContact CD2-CD2 4.48Å
161A84.1Confident85Confident8 Ų841.1 Ų41.17%0.06623%0.231CC..Hα-helixtrans-65.8-47.6179.600000111.6L98 N101 A157 V158 N163 I164 T165L98-A161 HydrophobicContact CD1-CB 4.45Å; N101-A161 WeakPolarHBondContact ND2-CB 3.31Å; N101-A161 PolarHBondContact ND2-N 3.09Å; N101-A161 VanDerWaalsContact ND2-N 3.14Å; A157-A161 PolarHBondContact O-N 3.34Å; A157-A161 VanDerWaalsContact O-N 3.16Å; V158-A161 PolarHBondContact O-N 3.23Å; A161-N163 PolarHBondContact O-N 3.03Å; A161-I164 PolarHBondContact O-N 3.28Å; A161-T165 VanDerWaalsContact O-CB 3.3Å; A161-T165 WeakPolarHBondContact O-CB 3.43Å; A161-T165 WeakPolarHBondContact O-CG2 3.25Å; A161-T165 PolarHBondContact O-N 3.28Å; A161-T165 PolarHBondContact O-OG1 3.14Å
162A84.2Confident85.2Confident42 Ų4240.1 Ų40.135%0.34722%0.223SC..Hα-helixtrans-60.8-45.7-177.300000112V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.42Å; V158-A162 PolarHBondContact O-N 3.14Å; A162-T165 WeakPolarHBondContact CA-OG1 3.41Å; A162-T165 PolarHBondContact O-OG1 2.98Å; A162-T165 VanDerWaalsContact O-OG1 3.05Å; A162-A166 WeakPolarHBondContact O-CB 3.27Å; A162-A166 PolarHBondContact O-N 3.24Å
163N87.9Confident85.6Confident60 Ų6041.1 Ų41.132%0.32123%0.23SC..Hα-helixtrans-63.6-48.9-179-70.5-7.1000111.6R159 A161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.36Å; R159-N163 VanDerWaalsContact O-CG 3.25Å; R159-N163 PolarHBondContact O-N 2.76Å; R159-N163 PolarHBondContact O-ND2 3Å; A161-N163 PolarHBondContact O-N 3.03Å; N163-G167 PolarHBondContact O-N 3.07Å; N163-V206 HydrophobicContact CB-CG1 4.1Å
164I85.1Confident86.2Confident4 Ų442.2 Ų42.22%0.02124%0.235CC..Hα-helixtrans-69.8-39.1-177.9-57.6-62.5000111.8N83 T93 T96 L160 A161 H168 A207N83-I164 HydrophobicContact CB-CD1 4.27Å; T93-I164 HydrophobicContact CG2-CG2 4.16Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.68Å; L160-I164 HydrophobicContact CD1-CG1 4.35Å; L160-I164 WeakPolarHBondContact O-CG1 3.25Å; L160-I164 PolarHBondContact O-N 3.32Å; A161-I164 PolarHBondContact O-N 3.28Å; I164-H168 WeakPolarHBondContact O-CB 3.31Å; I164-H168 PolarHBondContact O-N 3.12Å; I164-H168 VanDerWaalsContact O-N 3.12Å; I164-A207 HydrophobicContact CD1-CB 4.39Å
165T87.8Confident86.6Confident38 Ų3839.6 Ų39.623%0.23323%0.229CC..Hα-helixtrans-66-46.7176.153.40000112F9 T96 A161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.46Å; F9-T165 HydrophobicContact CE1-CG2 4.19Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å; A161-T165 VanDerWaalsContact O-CB 3.3Å; A161-T165 WeakPolarHBondContact O-CB 3.43Å; A161-T165 WeakPolarHBondContact O-CG2 3.25Å; A161-T165 PolarHBondContact O-N 3.28Å; A161-T165 PolarHBondContact O-OG1 3.14Å; A162-T165 WeakPolarHBondContact CA-OG1 3.41Å; A162-T165 PolarHBondContact O-OG1 2.98Å; A162-T165 VanDerWaalsContact O-OG1 3.05Å; T165-H168 PolarHBondContact O-N 2.99Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.43Å; T165-L169 PolarHBondContact O-N 2.74Å
166A87.3Confident86.8Confident54 Ų5440.5 Ų40.545%0.44623%0.233SC..Hα-helixtrans-64.6-43.8179.700000111.3A162 H168 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.27Å; A162-A166 PolarHBondContact O-N 3.24Å; A166-H168 PolarHBondContact O-N 3.09Å; A166-L169 PolarHBondContact O-N 3.14Å; A166-L170 VanDerWaalsContact O-CB 3.28Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 PolarHBondContact O-N 3.13Å
167G87.8Confident87.2Confident5 Ų542.2 Ų42.25%0.05225%0.248CC..Hα-helixtrans-58.6-47.417600000112.5N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.07Å; G167-L170 PolarHBondContact O-N 3.45Å; G167-M171 WeakPolarHBondContact O-CG 3.25Å; G167-M171 PolarHBondContact O-N 3.13Å; G167-E203 WeakPolarHBondContact CA-OE2 3.38Å
168H88Confident87.6Confident32 Ų3243 Ų4315%0.14825%0.253CS..Hα-helixtrans-66.3-40.3178.5-167.3-84.3000112.9S8 F9 I164 T165 A166 L170 M171 H172S8-H168 PolarHBondContact OG-CE1 2.86Å; F9-H168 HydrophobicContact CE1-CB 4.19Å; F9-H168 HydrophobicContact CZ-CB 3.98Å; F9-H168 AromaticContact CZ-ND1 3.74Å; I164-H168 WeakPolarHBondContact O-CB 3.31Å; I164-H168 PolarHBondContact O-N 3.12Å; I164-H168 VanDerWaalsContact O-N 3.12Å; T165-H168 PolarHBondContact O-N 2.99Å; A166-H168 PolarHBondContact O-N 3.09Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 3.27Å; H168-M171 HydrophobicContact CB-CE 4.4Å; H168-M171 PolarHBondContact O-N 2.98Å; H168-H172 WeakPolarHBondContact O-CB 3.28Å; H168-H172 PolarHBondContact O-N 2.95Å
169L88Confident87.8Confident44 Ų4446 Ų4623%0.2327%0.266CS..Hα-helixtrans-61.2-42.9172.7-79170.2000111.7F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.49Å; F6-L169 HydrophobicContact CE1-CD1 4.23Å; F6-L169 HydrophobicContact CE1-CD2 4.12Å; F9-L169 HydrophobicContact CE2-CD1 4.47Å; F9-L169 HydrophobicContact CE2-CD2 3.7Å; F9-L169 HydrophobicContact CE2-CG 3.77Å; F9-L169 HydrophobicContact CZ-CD2 4.33Å; F9-L169 HydrophobicContact CZ-CG 3.92Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.43Å; T165-L169 PolarHBondContact O-N 2.74Å; A166-L169 PolarHBondContact O-N 3.14Å; L169-H172 PolarHBondContact O-N 2.72Å; L169-L173 WeakPolarHBondContact O-CG 3.27Å; L169-L173 PolarHBondContact O-N 3.29Å
170L89.7Confident87.9Confident78 Ų7843.5 Ų43.541%0.40827%0.267SS..Hα-helixtrans-68-41.7-178.7-155.3154.1000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.28Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 PolarHBondContact O-N 3.13Å; G167-L170 PolarHBondContact O-N 3.45Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 3.27Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.11Å; L170-L173 PolarHBondContact O-N 3.4Å; L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.03Å; L170-I174 WeakPolarHBondContact O-CG1 3.14Å; L170-I174 PolarHBondContact O-N 3.02Å; L170-L199 HydrophobicContact CB-CD2 4.36Å; L170-L199 HydrophobicContact CD2-CD1 3.69Å; L170-L199 HydrophobicContact CD2-CD2 3.23Å; L170-L199 HydrophobicContact CD2-CG 4.07Å; L170-L199 HydrophobicContact CG-CD2 4.37Å
171M90.4Very high88.2Confident30 Ų3046.4 Ų46.415%0.14828%0.281CS..Hα-helixtrans-58.8-43.4171.7-74.9-172.5-68.900111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.99Å; G167-M171 WeakPolarHBondContact O-CG 3.25Å; G167-M171 PolarHBondContact O-N 3.13Å; H168-M171 HydrophobicContact CB-CE 4.4Å; H168-M171 PolarHBondContact O-N 2.98Å; M171-G175 PolarHBondContact O-N 2.89Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.57Å; M171-L199 HydrophobicContact CG-CG 4.17Å; M171-T200 HydrophobicContact SD-CG2 3.89Å; M171-E203 HydrophobicContact CE-CG 4.18Å
172H89.1Confident88.3Confident78 Ų7849 Ų4936%0.36130%0.298SS..Hα-helixtrans-67.8-41.3178.4-168.8-58.4000112.4L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.43Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.49Å; L5-H172 WeakPolarHBondContact CD2-ND1 2.93Å; H168-H172 WeakPolarHBondContact O-CB 3.28Å; H168-H172 PolarHBondContact O-N 2.95Å; L169-H172 PolarHBondContact O-N 2.72Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.11Å; H172-G175 PolarHBondContact O-N 3.35Å; H172-S176 WeakPolarHBondContact O-CB 3.4Å; H172-S176 PolarHBondContact O-N 3.01Å; H172-S176 PolarHBondContact O-OG 3.27Å
173L89.9Confident88.5Confident90 Ų9052.7 Ų52.747%0.47132%0.317SS..Hα-helixtrans-64-48.2178.2-74.3171.5000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.15Å; L5-L173 HydrophobicContact CD2-CD2 4.35Å; L169-L173 WeakPolarHBondContact O-CG 3.27Å; L169-L173 PolarHBondContact O-N 3.29Å; L170-L173 PolarHBondContact O-N 3.4Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.37Å; L173-S176 PolarHBondContact O-N 3.49Å; L173-S176 PolarHBondContact O-OG 2.85Å; L173-A177 PolarHBondContact O-N 3.45Å
174I90.9Very high88.4Confident34 Ų3454.9 Ų54.917%0.17433%0.327CS..Hα-helixtrans-64.7-40.2176.8-64.7-172.9000110.5L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.03Å; L170-I174 WeakPolarHBondContact O-CG1 3.14Å; L170-I174 PolarHBondContact O-N 3.02Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.5Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.45Å; I174-A177 PolarHBondContact O-N 3.35Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.35Å; I174-T178 WeakPolarHBondContact O-CG2 3.33Å; I174-T178 PolarHBondContact O-N 3.36Å; I174-T178 PolarHBondContact O-OG1 3.33Å; I174-I192 HydrophobicContact CG2-CG2 3.8Å; I174-I195 HydrophobicContact CD1-CG2 4.06Å; I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L196 HydrophobicContact CG2-CG 4.49Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å
175G89.8Confident88.5Confident25 Ų2559.2 Ų59.226%0.25835%0.351SS..Hα-helixtrans-61.4-36.7174.800000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 2.89Å; H172-G175 PolarHBondContact O-N 3.35Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.37Å; G175-T178 WeakPolarHBondContact CA-OG1 3.5Å; G175-T178 PolarHBondContact O-OG1 2.97Å; G175-L179 PolarHBondContact O-N 3.46Å
176S88.8Confident88.4Confident58 Ų5864.4 Ų64.441%0.40638%0.376SS..Hα-helixtrans-70.8-35.2173.6720000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.4Å; H172-S176 PolarHBondContact O-N 3.01Å; H172-S176 PolarHBondContact O-OG 3.27Å; L173-S176 PolarHBondContact O-N 3.49Å; L173-S176 PolarHBondContact O-OG 2.85Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.5Å; S176-L179 PolarHBondContact O-N 3.49Å; S176-A180 WeakPolarHBondContact O-CB 3.3Å; S176-A180 PolarHBondContact O-N 2.9Å
177A88.1Confident88.5Confident41 Ų4166.3 Ų66.334%0.33938%0.384SS..Hα-helixtrans-69.6-40.5176.200000111.9L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3.45Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.45Å; I174-A177 PolarHBondContact O-N 3.35Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.29Å; A177-A180 PolarHBondContact O-N 2.87Å; A177-M181 WeakPolarHBondContact O-CB 3.28Å; A177-M181 WeakPolarHBondContact O-CG 3.46Å; A177-M181 PolarHBondContact O-N 2.86Å
178T90.3Very high88.4Confident18 Ų1867.8 Ų67.811%0.1139%0.393CS..Hα-helixtrans-61.3-42.4174.255.30000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.35Å; I174-T178 WeakPolarHBondContact O-CG2 3.33Å; I174-T178 PolarHBondContact O-N 3.36Å; I174-T178 PolarHBondContact O-OG1 3.33Å; G175-T178 WeakPolarHBondContact CA-OG1 3.5Å; G175-T178 PolarHBondContact O-OG1 2.97Å; T178-M181 PolarHBondContact O-N 3.31Å; T178-S182 WeakPolarHBondContact O-CB 3.21Å; T178-S182 PolarHBondContact O-N 3.35Å; T178-I192 HydrophobicContact CG2-CB 3.89Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L89.4Confident88.6Confident128 Ų12867.4 Ų67.467%0.6739%0.393SS*.Hα-helixtrans-65.3-42.7178.3-165.7140.3000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.46Å; S176-L179 PolarHBondContact O-N 3.49Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.29Å; L179-S182 PolarHBondContact O-N 3.07Å; L179-S182 PolarHBondContact O-OG 2.95Å
180A88.4Confident88.7Confident47 Ų4770.9 Ų70.939%0.38841%0.411SS..Hα-helixtrans-67.4-35175.600000113.3S176 A177 T183S176-A180 WeakPolarHBondContact O-CB 3.3Å; S176-A180 PolarHBondContact O-N 2.9Å; A177-A180 PolarHBondContact O-N 2.87Å; A180-T183 PolarHBondContact O-OG1 2.8Å
181M87.1Confident88.8Confident61 Ų6172.3 Ų72.330%0.342%0.418SS..Hα-helixtrans-76.4-25178.3-69.2-64.5112.900112.8A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.28Å; A177-M181 WeakPolarHBondContact O-CG 3.46Å; A177-M181 PolarHBondContact O-N 2.86Å; T178-M181 PolarHBondContact O-N 3.31Å; M181-T183 PolarHBondContact O-N 2.61Å; M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 2.93Å; M181-I184 HydrophobicContact SD-CD1 4.27Å; M181-N185 PolarHBondContact O-N 3.44Å; M181-T189 PolarHBondContact O-OG1 3.38Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; M181-I192 HydrophobicContact CB-CD1 4.16Å; M181-I192 HydrophobicContact CG-CD1 3.62Å
182S87.3Confident88.9Confident62 Ų6272.8 Ų72.843%0.43442%0.421SS..Hα-helixtrans-58.3-30.5178.776.50000113T178 L179 T189T178-S182 WeakPolarHBondContact O-CB 3.21Å; T178-S182 PolarHBondContact O-N 3.35Å; L179-S182 PolarHBondContact O-N 3.07Å; L179-S182 PolarHBondContact O-OG 2.95Å; S182-T189 WeakPolarHBondContact CA-OG1 3.36Å; S182-T189 PolarHBondContact N-OG1 2.97Å
183T86.9Confident89.1Confident119 Ų11974 Ų7473%0.7343%0.426SS*.THydrogen-bonded Turntrans-83.3-16.5178.458.10000113.5A180 M181A180-T183 PolarHBondContact O-OG1 2.8Å; M181-T183 PolarHBondContact O-N 2.61Å
184I87.2Confident89.2Confident107 Ų10773.3 Ų73.355%0.54943%0.425SS..THydrogen-bonded Turntrans-98.7-60.8-174.4-56.7174.6000110.2M181M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 2.93Å; M181-I184 HydrophobicContact SD-CD1 4.27Å
185N87.2Confident89.4Confident95 Ų9575.6 Ų75.651%0.50844%0.437SS..  trans-145.5123.4-173.3-83.6-20.7000111.2M181 S188 T189M181-N185 PolarHBondContact O-N 3.44Å; N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 3.27Å; N185-S188 PolarHBondContact O-OG 3.25Å; N185-T189 PolarHBondContact O-N 3.37Å; N185-T189 PolarHBondContact O-OG1 3.41Å
186L85.9Confident89.6Confident147 Ų14775.9 Ų75.977%0.7743%0.432SS*.Hα-helixtrans-62.2-45.2177.2-153.993.1000114.3S188 T189 L190L186-S188 PolarHBondContact O-N 3.3Å; L186-T189 WeakPolarHBondContact O-CB 3.38Å; L186-T189 PolarHBondContact O-N 3.05Å; L186-L190 PolarHBondContact O-N 2.95Å
187P87.9Confident89.7Confident93 Ų9376.8 Ų76.860%0.60443%0.432SS*.Hα-helixtrans-69.3-36.4-174.825.3-33.1000113T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-L190 PolarHBondContact O-N 3.36Å; P187-I191 PolarHBondContact O-N 2.95Å
188S86.4Confident90.1Very high36 Ų3680.5 Ų80.525%0.25245%0.445SS..Hα-helixtrans-67.9-33.6174.652.20000112.1N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 3.27Å; N185-S188 PolarHBondContact O-OG 3.25Å; L186-S188 PolarHBondContact O-N 3.3Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 3.37Å; S188-I191 PolarHBondContact O-N 3.23Å; S188-I192 WeakPolarHBondContact O-CG1 3.37Å; S188-I192 PolarHBondContact O-N 2.94Å; S188-I192 VanDerWaalsContact O-N 3.13Å
189T91.1Very high90.2Very high24 Ų2480.7 Ų80.715%0.14745%0.446CS..Hα-helixtrans-61.9-41175.6-59.40000111.4M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.38Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; S182-T189 WeakPolarHBondContact CA-OG1 3.36Å; S182-T189 PolarHBondContact N-OG1 2.97Å; N185-T189 PolarHBondContact O-N 3.37Å; N185-T189 PolarHBondContact O-OG1 3.41Å; L186-T189 WeakPolarHBondContact O-CB 3.38Å; L186-T189 PolarHBondContact O-N 3.05Å; P187-T189 VanDerWaalsContact C-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.32Å; T189-I191 PolarHBondContact O-N 3.5Å; T189-I192 PolarHBondContact O-N 2.87Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.07Å; T189-F193 PolarHBondContact O-N 3.24Å
190L90.9Very high90.3Very high117 Ų11777.1 Ų77.161%0.61343%0.429SS*.Hα-helixtrans-60.5-42.1177.2-169.970.7000111.6L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.95Å; P187-L190 PolarHBondContact O-N 3.36Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 3.37Å; L190-F193 PolarHBondContact O-N 2.98Å; L190-T194 WeakPolarHBondContact O-CG2 3.45Å; L190-T194 PolarHBondContact O-N 2.94Å; L190-T194 PolarHBondContact O-OG1 2.96Å
191I92.4Very high90.5Very high108 Ų10879.7 Ų79.755%0.55444%0.436SS*.Hα-helixtrans-64.3-44.3178.6-62.1166.4000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.95Å; S188-I191 PolarHBondContact O-N 3.23Å; T189-I191 VanDerWaalsContact C-N 3.32Å; T189-I191 PolarHBondContact O-N 3.5Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.14Å; I191-T194 PolarHBondContact O-N 2.97Å; I191-T194 PolarHBondContact O-OG1 2.75Å; I191-I195 HydrophobicContact CG2-CD1 4.32Å; I191-I195 WeakPolarHBondContact O-CG1 3.31Å; I191-I195 PolarHBondContact O-N 3.46Å
192I92.7Very high90.7Very high40 Ų4081.5 Ų81.521%0.20545%0.446CS..Hα-helixtrans-70.8-33.4179.9-56.9166.6000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.8Å; T178-I192 HydrophobicContact CG2-CB 3.89Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.16Å; M181-I192 HydrophobicContact CG-CD1 3.62Å; S188-I192 WeakPolarHBondContact O-CG1 3.37Å; S188-I192 PolarHBondContact O-N 2.94Å; S188-I192 VanDerWaalsContact O-N 3.13Å; T189-I192 PolarHBondContact O-N 2.87Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 3.49Å; I192-L196 PolarHBondContact O-N 2.99Å
193F92.3Very high90.9Very high104 Ų10479.1 Ų79.146%0.45643%0.428SS..Hα-helixtrans-66.3-39.2175.1-173.2-105.7000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.07Å; T189-F193 PolarHBondContact O-N 3.24Å; L190-F193 PolarHBondContact O-N 2.98Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.14Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.98Å; F193-L196 HydrophobicContact CD2-CD2 4.45Å; F193-L196 WeakPolarHBondContact O-CB 3.43Å; F193-L196 PolarHBondContact O-N 3.41Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.29Å; F193-I197 HydrophobicContact CZ-CD1 4.12Å; F193-I197 HydrophobicContact CZ-CG1 4.5Å; F193-I197 PolarHBondContact O-N 3.48Å; F193-I197 VanDerWaalsContact O-N 3.07Å
194T93.1Very high91.1Very high76 Ų7677.4 Ų77.447%0.46641%0.413SS..Hα-helixtrans-64.8-37.3173.257.10000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.45Å; L190-T194 PolarHBondContact O-N 2.94Å; L190-T194 PolarHBondContact O-OG1 2.96Å; I191-T194 PolarHBondContact O-N 2.97Å; I191-T194 PolarHBondContact O-OG1 2.75Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-I197 PolarHBondContact O-N 3.45Å; T194-L198 PolarHBondContact O-N 3.04Å
195I94.1Very high91.3Very high81 Ų8174.5 Ų74.542%0.41541%0.405SS..Hα-helixtrans-62.1-42172.9-65.7166.5000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.06Å; I191-I195 HydrophobicContact CG2-CD1 4.32Å; I191-I195 WeakPolarHBondContact O-CG1 3.31Å; I191-I195 PolarHBondContact O-N 3.46Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 3.49Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.98Å; I195-I197 PolarHBondContact O-N 3.28Å; I195-L198 PolarHBondContact O-N 3.46Å; I195-L199 WeakPolarHBondContact O-CB 3.25Å; I195-L199 PolarHBondContact O-N 2.88Å
196L93.4Very high91.5Very high31 Ų3171.8 Ų71.816%0.16239%0.392CS..Hα-helixtrans-59.6-44.8176.4-177.865.6000111.5I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L196 HydrophobicContact CG2-CG 4.49Å; I192-L196 PolarHBondContact O-N 2.99Å; F193-L196 HydrophobicContact CD2-CD2 4.45Å; F193-L196 WeakPolarHBondContact O-CB 3.43Å; F193-L196 PolarHBondContact O-N 3.41Å; T194-L196 VanDerWaalsContact C-N 3.34Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.24Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.41Å; L196-T200 WeakPolarHBondContact O-CG2 3.25Å; L196-T200 PolarHBondContact O-N 2.87Å
197I92.7Very high91.7Very high77 Ų7764.9 Ų64.940%0.39536%0.356SS..Hα-helixtrans-62.2-43.2176.3-67.2165.5000111.1F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.29Å; F193-I197 HydrophobicContact CZ-CD1 4.12Å; F193-I197 HydrophobicContact CZ-CG1 4.5Å; F193-I197 PolarHBondContact O-N 3.48Å; F193-I197 VanDerWaalsContact O-N 3.07Å; T194-I197 PolarHBondContact O-N 3.45Å; I195-I197 PolarHBondContact O-N 3.28Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.45Å; I197-T200 PolarHBondContact O-N 3.32Å; I197-T200 PolarHBondContact O-OG1 3.41Å; I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.01Å; I197-I201 PolarHBondContact O-N 2.89Å
198L94.7Very high91.8Very high119 Ų11966.1 Ų66.162%0.62336%0.357SS*.Hα-helixtrans-63-39.5178.5-174.864.1000111.4T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.04Å; I195-L198 PolarHBondContact O-N 3.46Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.24Å; L198-I201 PolarHBondContact O-N 3.18Å; L198-L202 PolarHBondContact O-N 2.88Å
199L93.3Very high92Very high22 Ų2269 Ų6912%0.11537%0.369CS..Hα-helixtrans-63.9-42.3176.1-179.372.3000112.2L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.36Å; L170-L199 HydrophobicContact CD2-CD1 3.69Å; L170-L199 HydrophobicContact CD2-CD2 3.23Å; L170-L199 HydrophobicContact CD2-CG 4.07Å; L170-L199 HydrophobicContact CG-CD2 4.37Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.57Å; M171-L199 HydrophobicContact CG-CG 4.17Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å; I195-L199 WeakPolarHBondContact O-CB 3.25Å; I195-L199 PolarHBondContact O-N 2.88Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.41Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.45Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.44Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.32Å; L199-E203 PolarHBondContact O-N 3.44Å
200T91.3Very high91.9Very high53 Ų5368.3 Ų68.333%0.32536%0.364SS..Hα-helixtrans-64.3-37.7178.862.40000111.7M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.89Å; L196-T200 WeakPolarHBondContact O-CG2 3.25Å; L196-T200 PolarHBondContact O-N 2.87Å; I197-T200 PolarHBondContact O-N 3.32Å; I197-T200 PolarHBondContact O-OG1 3.41Å; T200-E203 PolarHBondContact O-N 2.97Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 3.04Å
201I92.8Very high91.8Very high102 Ų10262.7 Ų62.752%0.52333%0.334SS..Hα-helixtrans-62.7-43.9173.7-64.9166.8000110.8I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.01Å; I197-I201 PolarHBondContact O-N 2.89Å; L198-I201 PolarHBondContact O-N 3.18Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.44Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.11Å; I201-I204 PolarHBondContact O-N 2.94Å; I201-A205 PolarHBondContact O-N 3Å; I201-A205 VanDerWaalsContact O-N 3.17Å
202L91.9Very high91.7Very high99 Ų9962.2 Ų62.252%0.51833%0.326SS..Hα-helixtrans-59.7-45.4176179.367.5000111.1L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 2.88Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.32Å; L202-I204 PolarHBondContact O-N 3.14Å; L202-A205 WeakPolarHBondContact O-CB 3.31Å; L202-A205 PolarHBondContact O-N 3.48Å; L202-A205 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.43Å; L202-V206 PolarHBondContact O-N 3.25Å
203E90.8Very high91.6Very high12 Ų1262.3 Ų62.36%0.05633%0.329CS..Hα-helixtrans-67.2-36.5-176.9-162.664.2-160.300112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.36Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.38Å; M171-E203 HydrophobicContact CE-CG 4.18Å; L199-E203 PolarHBondContact O-N 3.44Å; T200-E203 PolarHBondContact O-N 2.97Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.17Å; E203-V206 PolarHBondContact O-N 3.48Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 3.07Å
204I91.1Very high91.3Very high83 Ų8357.4 Ų57.443%0.42631%0.307SS..Hα-helixtrans-59.8-42.9171.5-67.2164.5000110.6L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.22Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 3.04Å; I201-I204 PolarHBondContact O-N 2.94Å; L202-I204 PolarHBondContact O-N 3.14Å; I204-L208 PolarHBondContact O-N 2.96Å
205A91.9Very high91.1Very high46 Ų4653.8 Ų53.838%0.3829%0.285SS..Hα-helixtrans-65.7-45.417700000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3Å; I201-A205 VanDerWaalsContact O-N 3.17Å; L202-A205 WeakPolarHBondContact O-CB 3.31Å; L202-A205 PolarHBondContact O-N 3.48Å; L202-A205 VanDerWaalsContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.17Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 2.9Å; A205-L208 PolarHBondContact O-N 3.37Å; A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.46Å
206V91.8Very high90.8Very high37 Ų3752.8 Ų52.822%0.22428%0.28CS..Hα-helixtrans-61.1-42.4177.9172.90000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.1Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.43Å; L202-V206 PolarHBondContact O-N 3.25Å; E203-V206 PolarHBondContact O-N 3.48Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.66Å; V206-I209 PolarHBondContact O-N 3.2Å; V206-Q210 WeakPolarHBondContact O-CB 3.43Å; V206-Q210 PolarHBondContact O-N 2.97Å
207A89.6Confident90.4Very high2 Ų253 Ų532%0.01728%0.282CS..Hα-helixtrans-57.3-41.917800000112.9N83 L87 I164 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.88Å; N83-A207 PolarHBondContact ND2-O 3.26Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; I164-A207 HydrophobicContact CD1-CB 4.39Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 3.07Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 2.9Å; A207-A211 PolarHBondContact O-N 2.82Å
208L89.6Confident90.1Very high120 Ų12049.7 Ų49.763%0.62826%0.264SS*.Hα-helixtrans-75.2-45.9178.8-168.2154.6000111.7I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.96Å; A205-L208 PolarHBondContact O-N 3.37Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.66Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.42Å; L208-A211 PolarHBondContact O-N 3.45Å; L208-Y212 PolarHBondContact O-N 2.82Å; L208-Y212 VanDerWaalsContact O-N 3.15Å
209I90.9Very high89.6Confident96 Ų9644.6 Ų44.649%0.49224%0.239SC..Hα-helixtrans-59.9-40.6178.3-68.9167000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.46Å; V206-I209 PolarHBondContact O-N 3.2Å; I209-A211 PolarHBondContact O-N 2.89Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 3.3Å; I209-V213 HydrophobicContact CG2-CG2 4.05Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 3.33Å
210Q89Confident89.2Confident9 Ų947.2 Ų47.24%0.04225%0.252CS..Hα-helixtrans-66.5-38.1-178.4-172.164.36.900112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact CG-NE2 3.3Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.2Å; L160-Q210 HydrophobicContact CD1-CB 4.37Å; L160-Q210 HydrophobicContact CD1-CG 3.44Å; L160-Q210 VanDerWaalsContact CD1-CG 3.44Å; L160-Q210 HydrophobicContact CG-CG 4.41Å; V206-Q210 WeakPolarHBondContact O-CB 3.43Å; V206-Q210 PolarHBondContact O-N 2.97Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.42Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 2.94Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.41Å; Q210-F214 PolarHBondContact O-N 3.37Å
211A89.6Confident88.6Confident0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-62.7-40.3172.700000111.7I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.44Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; A80-A211 HydrophobicContact CB-CB 3.92Å; A207-A211 PolarHBondContact O-N 2.82Å; L208-A211 PolarHBondContact O-N 3.45Å; I209-A211 PolarHBondContact O-N 2.89Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 2.89Å; A211-T215 PolarHBondContact O-OG1 3.49Å
212Y89.8Confident88Confident98 Ų9840.8 Ų40.838%0.38422%0.216SC..Hα-helixtrans-66.5-48.8176.4177.8-100.3000112.4M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.36Å; M57-Y212 HydrophobicContact CE-CE2 4.46Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; L208-Y212 PolarHBondContact O-N 2.82Å; L208-Y212 VanDerWaalsContact O-N 3.15Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 3.3Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 2.94Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.07Å; Y212-T215 PolarHBondContact O-N 3.29Å; Y212-T215 PolarHBondContact O-OG1 3.24Å; Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 HydrophobicContact CE2-CD1 4.5Å; Y212-L216 VanDerWaalsContact O-CB 3.26Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.46Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.47Å
213V89.7Confident87.5Confident42 Ų4240.2 Ų40.226%0.25521%0.211SC..Hα-helixtrans-63.3-38.2179.4172.40000111.2I209 L217I209-V213 HydrophobicContact CG2-CG2 4.05Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 3.33Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 WeakPolarHBondContact O-CB 3.34Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 2.91Å
214F87.1Confident86.8Confident0 Ų043.2 Ų43.20%023%0.227CC..Hα-helixtrans-57.4-53.1176-171.6-81.8000111.3L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.12Å; L75-F214 HydrophobicContact CD2-CD1 3.88Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.32Å; L75-F214 HydrophobicContact CG-CE1 4.22Å; I79-F214 HydrophobicContact CD1-CB 4.23Å; I79-F214 HydrophobicContact CD1-CD1 3.33Å; I79-F214 HydrophobicContact CD1-CD2 4.36Å; I79-F214 HydrophobicContact CD1-CE1 3.69Å; I79-F214 HydrophobicContact CD1-CG 3.72Å; I79-F214 HydrophobicContact CD1-CZ 4.35Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.13Å; L108-F214 HydrophobicContact CD1-CE1 4.18Å; L156-F214 HydrophobicContact CD1-CD2 4.25Å; L156-F214 HydrophobicContact CD2-CD1 4.14Å; L156-F214 HydrophobicContact CD2-CD2 3.31Å; L156-F214 HydrophobicContact CD2-CE1 4.04Å; L156-F214 HydrophobicContact CD2-CE2 3.18Å; L156-F214 HydrophobicContact CD2-CG 3.8Å; L156-F214 HydrophobicContact CD2-CZ 3.57Å; L156-F214 HydrophobicContact CG-CD2 3.43Å; L156-F214 VanDerWaalsContact CG-CD2 3.43Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.48Å; L160-F214 HydrophobicContact CD2-CD2 4.48Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.41Å; Q210-F214 PolarHBondContact O-N 3.37Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.07Å; F214-L217 PolarHBondContact O-N 3.24Å; F214-V218 HydrophobicContact CD1-CG2 4.38Å; F214-V218 HydrophobicContact CE1-CG2 4.21Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 3.01Å
215T88.4Confident85.9Confident0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-71.9-35.4-176.5510000112.8M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.38Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.54Å; L75-T215 HydrophobicContact CG-CG2 3.75Å; I76-T215 HydrophobicContact CB-CG2 3.52Å; I76-T215 HydrophobicContact CG1-CG2 4.19Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 2.89Å; A211-T215 PolarHBondContact O-OG1 3.49Å; Y212-T215 PolarHBondContact O-N 3.29Å; Y212-T215 PolarHBondContact O-OG1 3.24Å; T215-V218 PolarHBondContact O-N 3.41Å; T215-S219 WeakPolarHBondContact O-CB 3.36Å; T215-S219 PolarHBondContact O-N 3.3Å
216L87.3Confident84.8Confident60 Ų6040.2 Ų40.231%0.31421%0.207SC..Hα-helixtrans-62.4-45.2174.5-174.9148.7000111.7Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 HydrophobicContact CE2-CD1 4.5Å; Y212-L216 VanDerWaalsContact O-CB 3.26Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.46Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.47Å; L216-V218 PolarHBondContact O-N 3.18Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.2Å; L216-S219 PolarHBondContact O-N 3.42Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.23Å; L216-L220 PolarHBondContact O-N 3.05Å
217L86.1Confident84.4Confident37 Ų3740.4 Ų40.419%0.19421%0.206CC..Hα-helixtrans-63.4-42.4177.8-77.6165.9000111.7L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.94Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.27Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 WeakPolarHBondContact O-CB 3.34Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 2.91Å; F214-L217 PolarHBondContact O-N 3.24Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3Å; L217-L220 PolarHBondContact O-N 2.99Å; L217-Y221 HydrophobicContact CB-CE2 4.2Å; L217-Y221 WeakPolarHBondContact O-CD2 3.42Å; L217-Y221 WeakPolarHBondContact O-CE2 3.48Å; L217-Y221 PolarHBondContact O-N 3.09Å
218V84.8Confident84.2Confident6 Ų642.4 Ų42.44%0.03622%0.216CC..Hα-helixtrans-59-41.5172.8177.20000111.2L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å; L108-V218 HydrophobicContact CB-CG1 4.36Å; L156-V218 HydrophobicContact CD2-CG2 4.31Å; F214-V218 HydrophobicContact CD1-CG2 4.38Å; F214-V218 HydrophobicContact CE1-CG2 4.21Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 3.01Å; T215-V218 PolarHBondContact O-N 3.41Å; L216-V218 PolarHBondContact O-N 3.18Å; V218-Y221 PolarHBondContact O-N 2.81Å; V218-L222 PolarHBondContact O-N 3.46Å; V218-L222 VanDerWaalsContact O-N 3.08Å
219S85.5Confident83.9Confident12 Ų1238.1 Ų38.18%0.08419%0.193CC..Hα-helixtrans-66.1-37.6177.386.80000112.2H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.19Å; T215-S219 WeakPolarHBondContact O-CB 3.36Å; T215-S219 PolarHBondContact O-N 3.3Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.2Å; L216-S219 PolarHBondContact O-N 3.42Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.23Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3Å; S219-L222 WeakPolarHBondContact O-CB 3.44Å; S219-L222 PolarHBondContact O-N 3.02Å; S219-H223 PolarHBondContact O-N 3.41Å
220L83.4Confident83.5Confident77 Ų7734.7 Ų34.740%0.40318%0.175SC..Hα-helixtrans-66.8-41.6177.2-171.4147000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.05Å; L217-L220 PolarHBondContact O-N 2.99Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.35Å; L220-H223 WeakPolarHBondContact O-CA 3.33Å; L220-H223 WeakPolarHBondContact O-CB 3.36Å; L220-H223 PolarHBondContact O-N 3.45Å; L220-H223 VanDerWaalsContact O-N 3.09Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.27Å; L220-D224 PolarHBondContact O-N 3.23Å
221Y79.1Confident83.1Confident19 Ų1936.3 Ų36.38%0.07518%0.184CC..Hα-helixtrans-60.7-39.1172.4-61.7-49.4000112.5Q152 L217 V218 H223 D224 N225Q152-Y221 HydrophobicContact CG-CE1 4.33Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.42Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.13Å; Q152-Y221 PolarHBondContact OE1-OH 3.27Å; L217-Y221 HydrophobicContact CB-CE2 4.2Å; L217-Y221 WeakPolarHBondContact O-CD2 3.42Å; L217-Y221 WeakPolarHBondContact O-CE2 3.48Å; L217-Y221 PolarHBondContact O-N 3.09Å; V218-Y221 PolarHBondContact O-N 2.81Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-D224 PolarHBondContact O-N 3.3Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.24Å; Y221-N225 PolarHBondContact O-N 3.26Å; Y221-N225 VanDerWaalsContact O-N 3.09Å; Y221-N225 PolarHBondContact O-ND2 3.17Å
222L80.6Confident82.7Confident1 Ų138.7 Ų38.71%0.00520%0.196CC..Hα-helixtrans-64.4-41.4176.1-171.370.9000110.7W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.45Å; W68-L222 VanDerWaalsContact CB-CD2 3.45Å; W68-L222 HydrophobicContact CD2-CD1 3.81Å; W68-L222 HydrophobicContact CD2-CD2 4.02Å; W68-L222 HydrophobicContact CE3-CD1 4.02Å; W68-L222 HydrophobicContact CE3-CD2 4.27Å; W68-L222 HydrophobicContact CG-CD1 4.08Å; W68-L222 HydrophobicContact CG-CD2 3.61Å; M115-L222 HydrophobicContact SD-CD1 4.28Å; V218-L222 PolarHBondContact O-N 3.46Å; V218-L222 VanDerWaalsContact O-N 3.08Å; S219-L222 WeakPolarHBondContact O-CB 3.44Å; S219-L222 PolarHBondContact O-N 3.02Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.35Å; L222-N225 PolarHBondContact O-N 2.89Å; L222-T226 HydrophobicContact CD1-CG2 4.2Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.4Å; L222-T226 WeakPolarHBondContact O-CG2 3.34Å; L222-T226 PolarHBondContact O-N 3.48Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.32Å
223H80.6Confident82.2Confident88 Ų8834.5 Ų34.541%0.40718%0.183SC..Hα-helixtrans-58.9-51.6175.3-174.584.6000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 2.96Å; M60-H223 PolarHBondContact O-ND1 3.48Å; S219-H223 PolarHBondContact O-N 3.41Å; L220-H223 WeakPolarHBondContact O-CA 3.33Å; L220-H223 WeakPolarHBondContact O-CB 3.36Å; L220-H223 PolarHBondContact O-N 3.45Å; L220-H223 VanDerWaalsContact O-N 3.09Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.37Å; H223-T226 PolarHBondContact O-N 2.8Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.48Å
224D76.9Confident81.6Confident74 Ų7433.9 Ų33.940%0.39618%0.177SC..Hα-helixtrans-61.1-30.7-179.2-64.9-16.5000112.7L220 Y221L220-D224 WeakPolarHBondContact CD2-OD2 3.27Å; L220-D224 PolarHBondContact O-N 3.23Å; Y221-D224 PolarHBondContact O-N 3.3Å
225N72.6Confident81.1Confident31 Ų3136.8 Ų36.817%0.16619%0.192CC..THydrogen-bonded Turntrans-91.7-1.5-179.9-74.5-70.6000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.24Å; G116-N225 WeakPolarHBondContact CA-O 3.42Å; S119-N225 PolarHBondContact OG-O 3.48Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.24Å; Y221-N225 PolarHBondContact O-N 3.26Å; Y221-N225 VanDerWaalsContact O-N 3.09Å; Y221-N225 PolarHBondContact O-ND2 3.17Å; L222-N225 PolarHBondContact O-N 2.89Å; H223-N225 PolarHBondContact O-N 3.37Å
226T68.3Low80.5Confident36 Ų3640.1 Ų40.122%0.22121%0.209CC..  trans-109.50-178.855.80000114.7K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.41Å; K120-T226 VanDerWaalsContact NZ-C 3.35Å; K120-T226 PolarHBondContact NZ-O 3.41Å; K120-T226 PolarHBondContact NZ-OXT 3.07Å; L222-T226 HydrophobicContact CD1-CG2 4.2Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.4Å; L222-T226 WeakPolarHBondContact O-CG2 3.34Å; L222-T226 PolarHBondContact O-N 3.48Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.32Å; H223-T226 PolarHBondContact O-N 2.8Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.48Å

Retrieved 226 of 226 residues in 104.9 ms (Link to these results)