A0A075DCB0_MOUSE Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A075DCB0, Species MOUSE (Mus musculus, Mouse), 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
1M45.9Very low70.7Confident212 Ų212102.8 Ų102.8100%1.04455%0.545SS*.  0114.80-77.8154.580.400106.6E3M1-E3 HydrophobicContact CB-CG 4.25Å; M1-E3 PolarHBondContact O-N 2.95Å
2N43.5Very low71.6Confident165 Ų16597.3 Ų97.388%0.88252%0.52SS*.  trans-67.383.5162.9-96.512.1000105.6N4N2-N4 PolarHBondContact O-N 3.42Å
3E57.4Low72.7Confident120 Ų12096.1 Ų96.156%0.56152%0.518SS*.  trans-62126167.2-66.1-147.6157.900106.4M1 L5 H172M1-E3 HydrophobicContact CB-CG 4.25Å; M1-E3 PolarHBondContact O-N 2.95Å; E3-L5 PolarHBondContact O-N 3.38Å; E3-H172 IonicContact OE2-CE1 3.98Å
4N71.8Confident73.5Confident127 Ų12798.5 Ų98.568%0.67953%0.527SS*.  trans-69.677.1178.6-69.3-36.8000108.3N2 F6 A7N2-N4 PolarHBondContact O-N 3.42Å; N4-F6 PolarHBondContact O-N 3.47Å; N4-A7 HydrophobicContact CB-CB 3.66Å; N4-A7 VanDerWaalsContact O-CB 3.24Å; N4-A7 WeakPolarHBondContact O-CB 3.33Å; N4-A7 PolarHBondContact O-N 3.41Å
5L73Confident74Confident48 Ų48104.3 Ų104.325%0.25155%0.553SS.*THydrogen-bonded Turntrans-53-28.2174.7-65.1175.6000111.1E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.38Å; L5-L169 HydrophobicContact CB-CD2 4.33Å; L5-H172 VanDerWaalsContact CD2-CE1 3.45Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.44Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.28Å; L5-L173 HydrophobicContact CD1-CD2 3.84Å; L5-L173 HydrophobicContact CD2-CD2 4.46Å
6F80.2Confident74.5Confident137 Ų137102.2 Ų102.260%0.60156%0.563SS**THydrogen-bonded Turntrans-89.3-5.2179.1-63.5-77.3000114.8N4 S8 F9 I10 L169N4-F6 PolarHBondContact O-N 3.47Å; F6-S8 PolarHBondContact O-N 3Å; F6-F9 AromaticContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CE2 4.32Å; F6-F9 PolarHBondContact O-N 3.5Å; F6-I10 PolarHBondContact O-N 3.03Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.04Å; F6-L169 HydrophobicContact CE1-CD2 4.08Å; F6-L169 HydrophobicContact CZ-CD2 4.43Å
7A78.4Confident75Confident50 Ų50105.4 Ų105.441%0.41357%0.571SS.*G310 helixtrans-60.4-32.5-179.200000112.5N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.66Å; N4-A7 VanDerWaalsContact O-CB 3.24Å; N4-A7 WeakPolarHBondContact O-CB 3.33Å; N4-A7 PolarHBondContact O-N 3.41Å; A7-F9 PolarHBondContact O-N 3.42Å; A7-I10 PolarHBondContact O-N 3.47Å
8S78.6Confident75.4Confident63 Ų63103.9 Ų103.944%0.44157%0.567SS.*G310 helixtrans-66.2-21.2176.256.90000113.7F6 F92F6-S8 PolarHBondContact O-N 3Å; S8-F92 WeakPolarHBondContact O-CD2 3.49Å
9F81.5Confident76Confident24 Ų24100.9 Ų100.911%0.10555%0.55CS..G310 helixtrans-95-9.1177.8-56.6-68000113.1F6 A7 T11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CE2 4.32Å; F6-F9 PolarHBondContact O-N 3.5Å; A7-F9 PolarHBondContact O-N 3.42Å; F9-T11 PolarHBondContact O-N 3.3Å; F9-T96 HydrophobicContact CD1-CG2 3.82Å; F9-T96 HydrophobicContact CE1-CG2 3.71Å; F9-Q97 PolarHBondContact O-NE2 2.97Å; F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.09Å; F9-H168 HydrophobicContact CE1-CB 4.19Å; F9-H168 HydrophobicContact CZ-CB 3.91Å; F9-L169 HydrophobicContact CE2-CD1 4.37Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.74Å; F9-L169 HydrophobicContact CZ-CD2 4.37Å; F9-L169 HydrophobicContact CZ-CG 3.95Å
10I83.8Confident76.6Confident115 Ų11597.3 Ų97.359%0.5953%0.531SS*.SBendtrans-69134.5176.9-59174.5000108.3F6 A7 P12F6-I10 PolarHBondContact O-N 3.03Å; A7-I10 PolarHBondContact O-N 3.47Å; I10-P12 VanDerWaalsContact O-CD 3.31Å; I10-P12 WeakPolarHBondContact O-CD 3.1Å
11T83Confident77Confident70 Ų7096.8 Ų96.843%0.42953%0.531SS..PPolyproline II helixtrans-60119.4179.243.90000110.1F9 T13 V20 F92F9-T11 PolarHBondContact O-N 3.3Å; T11-T13 PolarHBondContact O-N 3.13Å; T11-V20 HydrophobicContact CG2-CG2 4.2Å; T11-F92 HydrophobicContact CG2-CZ 4.26Å
12P82.4Confident78.8Confident37 Ų3791 Ų9124%0.2451%0.508CS..PPolyproline II helixtrans-66.7126.1-178.925.1-34.4000110.1I10 I19 V20 I23 F92I10-P12 VanDerWaalsContact O-CD 3.31Å; I10-P12 WeakPolarHBondContact O-CD 3.1Å; P12-I19 HydrophobicContact CB-CD1 4.07Å; P12-I19 WeakPolarHBondContact O-CD1 3.42Å; P12-I19 PolarHBondContact O-N 3.48Å; P12-I19 VanDerWaalsContact O-N 3.13Å; P12-V20 HydrophobicContact CG-CG2 4.07Å; P12-I23 HydrophobicContact CG-CD1 3.62Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.14Å; P12-F92 HydrophobicContact CG-CD2 4.44Å; P12-F92 HydrophobicContact CG-CG 4.06Å
13T86Confident80.9Confident81 Ų8185.4 Ų85.450%0.49748%0.477SS..EExtended strand (participates in β ladder)trans-123.6135.5170.156.40000108.7T11 F17T11-T13 PolarHBondContact O-N 3.13Å; T13-F17 VanDerWaalsContact CA-O 3.3Å; T13-F17 WeakPolarHBondContact CA-O 3.28Å
14M83.1Confident82.3Confident130 Ų13081.5 Ų81.564%0.6446%0.46SS*.EExtended strand (participates in β ladder)trans-126.5125.6177.6-79.5-81.483.100105.5G16 F17 I19M14-G16 PolarHBondContact O-N 3.02Å; M14-G16 VanDerWaalsContact O-N 3.13Å; M14-F17 PolarHBondContact N-O 2.99Å; M14-F17 PolarHBondContact O-N 3.28Å; M14-I19 HydrophobicContact CB-CD1 3.51Å; M14-I19 HydrophobicContact CB-CG1 3.97Å; M14-I19 HydrophobicContact CG-CD1 3.37Å; M14-I19 HydrophobicContact CG-CG1 4.05Å
15M81.2Confident83Confident186 Ų18680.9 Ų80.992%0.91645%0.454SS*.THydrogen-bonded Turntrans51.237.5-178.5-57.5179.4176.200112.6F17M15-F17 VanDerWaalsContact C-N 3.27Å; M15-F17 PolarHBondContact O-N 3.37Å
16G82.2Confident83.7Confident70 Ų7083.4 Ų83.472%0.72246%0.463SS*.THydrogen-bonded Turntrans79.4-6.8179.800000116M14M14-G16 PolarHBondContact O-N 3.02Å; M14-G16 VanDerWaalsContact O-N 3.13Å
17F82.2Confident84.1Confident157 Ų15777 Ų7769%0.68944%0.436SS*.EExtended strand (participates in β ladder)trans-95.5137.6176.1-69.3-78.5000112T13 M14 M15 I19T13-F17 VanDerWaalsContact CA-O 3.3Å; T13-F17 WeakPolarHBondContact CA-O 3.28Å; M14-F17 PolarHBondContact N-O 2.99Å; M14-F17 PolarHBondContact O-N 3.28Å; M15-F17 VanDerWaalsContact C-N 3.27Å; M15-F17 PolarHBondContact O-N 3.37Å; F17-I19 PolarHBondContact O-N 2.96Å
18P83.9Confident84.4Confident78 Ų7878 Ų7851%0.50644%0.438SS..EExtended strand (participates in β ladder)trans-73.4112.6176.229.1-32.9000111.2V20P18-V20 PolarHBondContact O-N 3.39Å
19I86.9Confident84.8Confident47 Ų4781 Ų8124%0.24145%0.447CS..THydrogen-bonded Turntrans-76.8-9.9175.7-52.8112.5000111.3P12 M14 F17 V21 T22 I23P12-I19 HydrophobicContact CB-CD1 4.07Å; P12-I19 WeakPolarHBondContact O-CD1 3.42Å; P12-I19 PolarHBondContact O-N 3.48Å; P12-I19 VanDerWaalsContact O-N 3.13Å; M14-I19 HydrophobicContact CB-CD1 3.51Å; M14-I19 HydrophobicContact CB-CG1 3.97Å; M14-I19 HydrophobicContact CG-CD1 3.37Å; M14-I19 HydrophobicContact CG-CG1 4.05Å; F17-I19 PolarHBondContact O-N 2.96Å; I19-V21 PolarHBondContact O-N 3.45Å; I19-T22 WeakPolarHBondContact CG2-OG1 3.27Å; I19-T22 PolarHBondContact O-N 2.86Å; I19-T22 PolarHBondContact O-OG1 2.97Å; I19-I23 HydrophobicContact CG2-CD1 4.39Å; I19-I23 HydrophobicContact CG2-CG1 4.33Å; I19-I23 PolarHBondContact O-N 3.47Å
20V86.2Confident85.1Confident29 Ų2983.5 Ų83.518%0.17646%0.461CS..Hα-helixtrans-49.4-36177.7178.90000111.6T11 P12 P18 I23 I24 F92T11-V20 HydrophobicContact CG2-CG2 4.2Å; P12-V20 HydrophobicContact CG-CG2 4.07Å; P18-V20 PolarHBondContact O-N 3.39Å; V20-I23 PolarHBondContact O-N 2.84Å; V20-I24 HydrophobicContact CG1-CD1 3.69Å; V20-I24 HydrophobicContact CG1-CG1 4.27Å; V20-I24 VanDerWaalsContact O-CG1 3.27Å; V20-I24 WeakPolarHBondContact O-CG1 3.05Å; V20-I24 PolarHBondContact O-N 3.42Å; V20-F92 HydrophobicContact CG1-CE1 4.3Å; V20-F92 HydrophobicContact CG2-CE1 4.12Å
21V84.9Confident85.3Confident87 Ų8781.4 Ų81.453%0.52745%0.448SS..Hα-helixtrans-63-43.3177.6-178.10000112.1I19 I23 I24 M25I19-V21 PolarHBondContact O-N 3.45Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.35Å; V21-I24 PolarHBondContact O-N 2.95Å; V21-M25 VanDerWaalsContact O-CG 3.24Å; V21-M25 WeakPolarHBondContact O-CG 3.41Å; V21-M25 PolarHBondContact O-N 3.15Å
22T84.8Confident85.4Confident90 Ų9081.8 Ų81.855%0.55245%0.452SS*.Hα-helixtrans-69-35.6179.465.50000111.2I19 M25 F26I19-T22 WeakPolarHBondContact CG2-OG1 3.27Å; I19-T22 PolarHBondContact O-N 2.86Å; I19-T22 PolarHBondContact O-OG1 2.97Å; T22-M25 PolarHBondContact O-N 3.31Å; T22-F26 PolarHBondContact O-N 2.85Å
23I86.6Confident85.5Confident48 Ų4885.6 Ų85.625%0.24648%0.48CS..Hα-helixtrans-64.2-44175.6-60.6168.1000110.2P12 I19 V20 V21 M25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.62Å; I19-I23 HydrophobicContact CG2-CD1 4.39Å; I19-I23 HydrophobicContact CG2-CG1 4.33Å; I19-I23 PolarHBondContact O-N 3.47Å; V20-I23 PolarHBondContact O-N 2.84Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.35Å; I23-M25 VanDerWaalsContact C-N 3.26Å; I23-M25 PolarHBondContact O-N 3.45Å; I23-F26 WeakPolarHBondContact O-CB 3.38Å; I23-F26 PolarHBondContact O-N 2.97Å; I23-P27 WeakPolarHBondContact O-CD 2.92Å; I23-F92 HydrophobicContact CD1-CB 4.19Å; I23-F92 HydrophobicContact CD1-CD1 4Å; I23-F92 HydrophobicContact CD1-CG 4.47Å
24I87.4Confident85.5Confident37 Ų3784.1 Ų84.119%0.1947%0.473CS..Hα-helixtrans-64.4-31.1176.2-70168.9000111.9V20 V21 F26 P27 F78 P94 M100V20-I24 HydrophobicContact CG1-CD1 3.69Å; V20-I24 HydrophobicContact CG1-CG1 4.27Å; V20-I24 VanDerWaalsContact O-CG1 3.27Å; V20-I24 WeakPolarHBondContact O-CG1 3.05Å; V20-I24 PolarHBondContact O-N 3.42Å; V21-I24 PolarHBondContact O-N 2.95Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-P27 VanDerWaalsContact O-CD 3.32Å; I24-P27 WeakPolarHBondContact O-CD 3.3Å; I24-F78 HydrophobicContact CG2-CE2 4.46Å; I24-F78 HydrophobicContact CG2-CZ 4.23Å; I24-P94 HydrophobicContact CD1-CB 4.31Å; I24-P94 HydrophobicContact CG1-CB 3.8Å; I24-P94 HydrophobicContact CG1-CG 4.12Å; I24-M100 HydrophobicContact CD1-CE 4.34Å; I24-M100 HydrophobicContact CD1-SD 4.21Å; I24-M100 HydrophobicContact CG2-CE 4.41Å
25M86.6Confident85.6Confident114 Ų11488.6 Ų88.656%0.56249%0.488SS*.Hα-helixtrans-82.1-7.7178.6-68.2-65.3163.800113.9V21 T22 I23 P28V21-M25 VanDerWaalsContact O-CG 3.24Å; V21-M25 WeakPolarHBondContact O-CG 3.41Å; V21-M25 PolarHBondContact O-N 3.15Å; T22-M25 PolarHBondContact O-N 3.31Å; I23-M25 VanDerWaalsContact C-N 3.26Å; I23-M25 PolarHBondContact O-N 3.45Å; M25-P28 WeakPolarHBondContact O-CD 3.26Å
26F88Confident85.8Confident102 Ų10289.6 Ų89.645%0.44748%0.482SS..Hα-helixtrans-69.5-46.5-179.2-170.4-99.7000114.8T22 I23 I24 I29 L30 L85T22-F26 PolarHBondContact O-N 2.85Å; I23-F26 WeakPolarHBondContact O-CB 3.38Å; I23-F26 PolarHBondContact O-N 2.97Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-I29 WeakPolarHBondContact O-CB 3.05Å; F26-I29 PolarHBondContact O-N 3.43Å; F26-L30 HydrophobicContact CE1-CD1 4.45Å; F26-L30 HydrophobicContact CE1-CD2 4.3Å; F26-L30 HydrophobicContact CE1-CG 4.46Å; F26-L85 HydrophobicContact CD1-CD1 3.94Å; F26-L85 HydrophobicContact CD1-CD2 3.8Å; F26-L85 HydrophobicContact CE1-CD1 4.45Å; F26-L85 HydrophobicContact CE1-CD2 3.59Å
27P88Confident85.7Confident3 Ų394.7 Ų94.72%0.01949%0.492CS..Hα-helixtrans-57.4-40.3-178-12.118.2000115.5I23 I24 I29 L30 F31 S81 T82 L85I23-P27 WeakPolarHBondContact O-CD 2.92Å; I24-P27 VanDerWaalsContact O-CD 3.32Å; I24-P27 WeakPolarHBondContact O-CD 3.3Å; P27-I29 PolarHBondContact O-N 3Å; P27-L30 WeakPolarHBondContact O-CB 3.2Å; P27-L30 PolarHBondContact O-N 3.29Å; P27-F31 WeakPolarHBondContact O-CD2 3.4Å; P27-S81 VanDerWaalsContact CB-OG 3.26Å; P27-S81 WeakPolarHBondContact CB-OG 3.36Å; P27-T82 HydrophobicContact CB-CG2 4.27Å; P27-T82 HydrophobicContact CG-CG2 3.43Å; P27-T82 VanDerWaalsContact CG-CG2 3.43Å; P27-L85 HydrophobicContact CB-CD1 3.92Å; P27-L85 HydrophobicContact CG-CD1 3.83Å
28P84.6Confident85.8Confident71 Ų7194.3 Ų94.346%0.46150%0.495SS..Hα-helixtrans-55.7-32.3174.3-27.733.6000114.2M25 L30 F31M25-P28 WeakPolarHBondContact O-CD 3.26Å; P28-L30 PolarHBondContact O-N 3.13Å; P28-F31 PolarHBondContact O-N 3.41Å; P28-F31 VanDerWaalsContact O-N 3.17Å
29I88.1Confident86Confident124 Ų12492.5 Ų92.564%0.63648%0.482SS*.Hα-helixtrans-68.2-25.2-179.3-59166.3000111F26 P27 F31F26-I29 WeakPolarHBondContact O-CB 3.05Å; F26-I29 PolarHBondContact O-N 3.43Å; P27-I29 PolarHBondContact O-N 3Å; I29-F31 PolarHBondContact O-N 2.71Å
30L87.2Confident86.1Confident77 Ų7795.9 Ų95.940%0.40350%0.5SS..THydrogen-bonded Turntrans-70.1-13.3176.4-61.6174.9000113.4F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CE1-CD1 4.45Å; F26-L30 HydrophobicContact CE1-CD2 4.3Å; F26-L30 HydrophobicContact CE1-CG 4.46Å; P27-L30 WeakPolarHBondContact O-CB 3.2Å; P27-L30 PolarHBondContact O-N 3.29Å; P28-L30 PolarHBondContact O-N 3.13Å; L30-P32 WeakPolarHBondContact O-CD 3.36Å; L30-Q46 PolarHBondContact O-NE2 3.05Å; L30-L85 HydrophobicContact CD1-CD1 3.75Å; L30-L85 HydrophobicContact CD1-CD2 4.18Å; L30-L85 HydrophobicContact CD1-CG 4.16Å
31F87.7Confident86.3Confident72 Ų72104.8 Ų104.832%0.31653%0.53SS..SBendtrans-111.272.5179.8-62.3-73.8000111.4P27 P28 I29 S33 Q46 M77P27-F31 WeakPolarHBondContact O-CD2 3.4Å; P28-F31 PolarHBondContact O-N 3.41Å; P28-F31 VanDerWaalsContact O-N 3.17Å; I29-F31 PolarHBondContact O-N 2.71Å; F31-S33 PolarHBondContact O-N 2.94Å; F31-Q46 HydrophobicContact CD1-CG 4.02Å; F31-Q46 HydrophobicContact CE1-CG 4.2Å; F31-M77 HydrophobicContact CD1-CE 3.85Å; F31-M77 HydrophobicContact CE1-CE 3.06Å; F31-M77 HydrophobicContact CE2-CE 4.16Å; F31-M77 HydrophobicContact CZ-CE 3.25Å
32P85.1Confident86.5Confident77 Ų77106.4 Ų106.450%0.554%0.535SS..  trans-66.9134.7179.629-34.9000110.8L30 H43L30-P32 WeakPolarHBondContact O-CD 3.36Å; P32-H43 PolarHBondContact O-CD2 3.12Å; P32-H43 PolarHBondContact O-NE2 2.94Å
33S84.6Confident86.8Confident118 Ų118103 Ų10383%0.82551%0.513SS*.  trans-89.8136.3168.862.50000110.2F31F31-S33 PolarHBondContact O-N 2.94Å
34S86.1Confident87Confident50 Ų50103.8 Ų103.835%0.3552%0.523SS..  trans-125.4141.2173.864.70000111.4R36 N39 H43S34-R36 VanDerWaalsContact C-N 3.32Å; S34-N39 PolarHBondContact OG-ND2 3.15Å; S34-N39 PolarHBondContact OG-OD1 3.17Å; S34-H43 PolarHBondContact N-NE2 2.95Å; S34-H43 PolarHBondContact OG-CD2 3.31Å; S34-H43 PolarHBondContact OG-NE2 3.33Å
35K84.9Confident87.1Confident223 Ų223107.6 Ų107.697%0.9754%0.539SS*.  trans-85.6-1.4-177.6-61.3-177.2-179.8-179.40113.5
36R86.9Confident87.4Confident207 Ų207103.7 Ų103.778%0.78152%0.519SS*.  trans-83.5154.2-176.4-63.5-178.4-174.8175.52.4109.8S34 N39S34-R36 VanDerWaalsContact C-N 3.32Å; R36-N39 VanDerWaalsContact C-OD1 3.29Å; R36-N39 WeakPolarHBondContact CB-OD1 3.39Å; R36-N39 PolarHBondContact O-OD1 3.33Å
37L78.6Confident87.5Confident177 Ų177104.1 Ų104.193%0.92752%0.522SS*.SBendtrans-75.2-40.5175-168.778.1000110.9
38I85.5Confident87.7Confident150 Ų150111.2 Ų111.277%0.76955%0.548SS*.SBendtrans-102.5112.3174.8-57.5170.1000107.6
39N87.7Confident88Confident40 Ų40110.4 Ų110.421%0.21454%0.54CS..  trans-104.7171.6-174.4-67.2-11.6000112.3S34 R36 H43S34-N39 PolarHBondContact OG-ND2 3.15Å; S34-N39 PolarHBondContact OG-OD1 3.17Å; R36-N39 VanDerWaalsContact C-OD1 3.29Å; R36-N39 WeakPolarHBondContact CB-OD1 3.39Å; R36-N39 PolarHBondContact O-OD1 3.33Å; N39-H43 HydrophobicContact CB-CB 3.89Å; N39-H43 PolarHBondContact ND2-CE1 3.46Å; N39-H43 PolarHBondContact ND2-ND1 3.16Å; N39-H43 VanDerWaalsContact ND2-ND1 3.19Å; N39-H43 PolarHBondContact ND2-NE2 3.37Å
40N89.1Confident88.2Confident117 Ų117106.8 Ų106.863%0.62652%0.522SS*.  trans-66.7157.3174.5-160.33.8000111.5L42 H43 S44N40-L42 VanDerWaalsContact C-N 3.25Å; N40-L42 PolarHBondContact O-N 3.1Å; N40-H43 PolarHBondContact O-N 3.3Å; N40-S44 PolarHBondContact O-N 3.35Å
41R89.4Confident88.4Confident216 Ų216110.5 Ų110.582%0.81554%0.535SS*.Hα-helixtrans-54.4-38.8-177.5-63.9-177.7-178179.31.3113.1S44 F45R41-S44 PolarHBondContact O-N 3.28Å; R41-S44 PolarHBondContact O-OG 3.11Å; R41-F45 WeakPolarHBondContact O-CB 3.48Å; R41-F45 PolarHBondContact O-N 3.03Å
42L89.3Confident88.6Confident121 Ų121110.2 Ų110.263%0.63454%0.536SS*.Hα-helixtrans-63.7-45.5176.5-70.5171.6000111.6N40 F45 Q46N40-L42 VanDerWaalsContact C-N 3.25Å; N40-L42 PolarHBondContact O-N 3.1Å; L42-F45 PolarHBondContact O-N 3.06Å; L42-Q46 VanDerWaalsContact O-CG 3.28Å; L42-Q46 WeakPolarHBondContact O-CG 3.45Å; L42-Q46 PolarHBondContact O-N 3.49Å
43H90.7Very high88.8Confident18 Ų18107.8 Ų107.88%0.08352%0.519CS..Hα-helixtrans-70-34.6-179.4-171.3-45.8000111.7P32 S34 N39 N40 Q46 H47P32-H43 PolarHBondContact O-CD2 3.12Å; P32-H43 PolarHBondContact O-NE2 2.94Å; S34-H43 PolarHBondContact N-NE2 2.95Å; S34-H43 PolarHBondContact OG-CD2 3.31Å; S34-H43 PolarHBondContact OG-NE2 3.33Å; N39-H43 HydrophobicContact CB-CB 3.89Å; N39-H43 PolarHBondContact ND2-CE1 3.46Å; N39-H43 PolarHBondContact ND2-ND1 3.16Å; N39-H43 VanDerWaalsContact ND2-ND1 3.19Å; N39-H43 PolarHBondContact ND2-NE2 3.37Å; N40-H43 PolarHBondContact O-N 3.3Å; H43-Q46 PolarHBondContact O-N 2.87Å; H43-H47 AromaticContact CE1-CE1 3.41Å; H43-H47 PolarHBondContact CE1-CE1 3.36Å; H43-H47 VanDerWaalsContact CE1-CE1 3.41Å; H43-H47 AromaticContact CE1-ND1 3.21Å; H43-H47 PolarHBondContact CE1-ND1 3.48Å; H43-H47 AromaticContact ND1-ND1 3.38Å; H43-H47 PolarHBondContact ND1-ND1 2.96Å; H43-H47 WeakPolarHBondContact O-CB 3.19Å; H43-H47 PolarHBondContact O-N 2.89Å
44S90.8Very high89.1Confident66 Ų66105.4 Ų105.446%0.46250%0.496SS..Hα-helixtrans-66.9-40.8174.363.90000111.5N40 R41 H47 W48N40-S44 PolarHBondContact O-N 3.35Å; R41-S44 PolarHBondContact O-N 3.28Å; R41-S44 PolarHBondContact O-OG 3.11Å; S44-H47 PolarHBondContact O-N 3.18Å; S44-W48 WeakPolarHBondContact O-CB 3.39Å; S44-W48 PolarHBondContact O-N 3.32Å
45F91.4Very high89.2Confident117 Ų117109.9 Ų109.951%0.51351%0.509SS..Hα-helixtrans-61.8-45.6173.2-179.9-103.6000112.1R41 L42 H47 W48 L49R41-F45 WeakPolarHBondContact O-CB 3.48Å; R41-F45 PolarHBondContact O-N 3.03Å; L42-F45 PolarHBondContact O-N 3.06Å; F45-H47 PolarHBondContact O-N 3.32Å; F45-W48 HydrophobicContact CD2-CE3 4.15Å; F45-W48 HydrophobicContact CD2-CZ3 4.45Å; F45-W48 HydrophobicContact CE2-CE3 4.05Å; F45-W48 AromaticContact CE2-CZ3 3.91Å; F45-W48 HydrophobicContact CE2-CZ3 3.91Å; F45-W48 PolarHBondContact O-N 3Å; F45-L49 HydrophobicContact CE1-CD1 4.1Å; F45-L49 HydrophobicContact CZ-CD1 4.16Å; F45-L49 WeakPolarHBondContact O-CB 3.26Å; F45-L49 PolarHBondContact O-N 3.16Å
46Q91.1Very high89.3Confident31 Ų31104.6 Ų104.615%0.14549%0.488CS..Hα-helixtrans-60.8-45.6176.1-73.2173.1-8.900112L30 F31 L42 H43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.05Å; F31-Q46 HydrophobicContact CD1-CG 4.02Å; F31-Q46 HydrophobicContact CE1-CG 4.2Å; L42-Q46 VanDerWaalsContact O-CG 3.28Å; L42-Q46 WeakPolarHBondContact O-CG 3.45Å; L42-Q46 PolarHBondContact O-N 3.49Å; H43-Q46 PolarHBondContact O-N 2.87Å; Q46-W48 VanDerWaalsContact C-N 3.34Å; Q46-W48 PolarHBondContact O-N 3.3Å; Q46-L49 PolarHBondContact O-N 3.36Å; Q46-I50 WeakPolarHBondContact O-CB 3.45Å; Q46-I50 VanDerWaalsContact O-CG1 3.3Å; Q46-I50 WeakPolarHBondContact O-CG1 3.18Å; Q46-I50 PolarHBondContact O-N 3.46Å
47H90.1Very high89.2Confident111 Ų11195.3 Ų95.351%0.51445%0.453SS..Hα-helixtrans-62.3-41.7176.1-107.4147000112.3H43 S44 F45 K51H43-H47 AromaticContact CE1-CE1 3.41Å; H43-H47 PolarHBondContact CE1-CE1 3.36Å; H43-H47 VanDerWaalsContact CE1-CE1 3.41Å; H43-H47 AromaticContact CE1-ND1 3.21Å; H43-H47 PolarHBondContact CE1-ND1 3.48Å; H43-H47 AromaticContact ND1-ND1 3.38Å; H43-H47 PolarHBondContact ND1-ND1 2.96Å; H43-H47 WeakPolarHBondContact O-CB 3.19Å; H43-H47 PolarHBondContact O-N 2.89Å; S44-H47 PolarHBondContact O-N 3.18Å; F45-H47 PolarHBondContact O-N 3.32Å; H47-K51 WeakPolarHBondContact O-CB 3.34Å; H47-K51 PolarHBondContact O-N 3.12Å
48W92.9Very high89.5Confident152 Ų15287.5 Ų87.558%0.57641%0.412SS*.Hα-helixtrans-62-45.1176.9174.784.1000111.4S44 F45 Q46 K51 L52S44-W48 WeakPolarHBondContact O-CB 3.39Å; S44-W48 PolarHBondContact O-N 3.32Å; F45-W48 HydrophobicContact CD2-CE3 4.15Å; F45-W48 HydrophobicContact CD2-CZ3 4.45Å; F45-W48 HydrophobicContact CE2-CE3 4.05Å; F45-W48 AromaticContact CE2-CZ3 3.91Å; F45-W48 HydrophobicContact CE2-CZ3 3.91Å; F45-W48 PolarHBondContact O-N 3Å; Q46-W48 VanDerWaalsContact C-N 3.34Å; Q46-W48 PolarHBondContact O-N 3.3Å; W48-K51 PolarHBondContact O-N 3.13Å; W48-L52 HydrophobicContact CD2-CD1 3.75Å; W48-L52 HydrophobicContact CD2-CG 4.48Å; W48-L52 VanDerWaalsContact CE2-CD1 3.42Å; W48-L52 HydrophobicContact CE3-CD1 3.87Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.3Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.71Å; W48-L52 WeakPolarHBondContact O-CG 3.44Å; W48-L52 PolarHBondContact O-N 3.48Å
49L91.4Very high89.4Confident54 Ų5486.7 Ų86.728%0.28341%0.409SS..Hα-helixtrans-63.4-46.8178-172.9147.6000111.7F45 Q46 K51 L52 I53 M77F45-L49 HydrophobicContact CE1-CD1 4.1Å; F45-L49 HydrophobicContact CZ-CD1 4.16Å; F45-L49 WeakPolarHBondContact O-CB 3.26Å; F45-L49 PolarHBondContact O-N 3.16Å; Q46-L49 PolarHBondContact O-N 3.36Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.26Å; L49-L52 PolarHBondContact O-N 3.34Å; L49-I53 HydrophobicContact CD2-CD1 3.44Å; L49-I53 VanDerWaalsContact CD2-CD1 3.44Å; L49-I53 HydrophobicContact CD2-CG1 4.35Å; L49-I53 HydrophobicContact CG-CD1 4.35Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 3Å; L49-M77 HydrophobicContact CD2-CE 4.01Å; L49-M77 HydrophobicContact CD2-SD 3.59Å; L49-M77 VanDerWaalsContact CD2-SD 3.59Å
50I91.4Very high88.9Confident49 Ų4990 Ų9025%0.25143%0.425SS..Hα-helixtrans-59.5-43.6175.9-70165.6000110.9Q46 L52 I53 I54 V73 M77Q46-I50 WeakPolarHBondContact O-CB 3.45Å; Q46-I50 VanDerWaalsContact O-CG1 3.3Å; Q46-I50 WeakPolarHBondContact O-CG1 3.18Å; Q46-I50 PolarHBondContact O-N 3.46Å; I50-L52 VanDerWaalsContact C-N 3.33Å; I50-L52 PolarHBondContact O-N 3Å; I50-I53 PolarHBondContact O-N 2.88Å; I50-I54 HydrophobicContact CG2-CD1 3.64Å; I50-I54 HydrophobicContact CG2-CG1 4.38Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.22Å; I50-I54 PolarHBondContact O-N 2.91Å; I50-V73 HydrophobicContact CG2-CG1 3.94Å; I50-M77 HydrophobicContact CG1-SD 4.36Å
51K91.4Very high88.5Confident155 Ų15585 Ų8567%0.67440%0.398SS*.Hα-helixtrans-62.8-39178.7-172.8176.7-178.8178.70112.1H47 W48 L49 K55H47-K51 WeakPolarHBondContact O-CB 3.34Å; H47-K51 PolarHBondContact O-N 3.12Å; W48-K51 PolarHBondContact O-N 3.13Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.26Å; K51-K55 VanDerWaalsContact O-CB 3.32Å; K51-K55 WeakPolarHBondContact O-CB 3.18Å; K51-K55 PolarHBondContact O-N 3.18Å
52L92Very high88Confident66 Ų6677.4 Ų77.435%0.34638%0.376SS..Hα-helixtrans-65.3-48.2176.2-77.3174.7000112.1W48 L49 I50 I54 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.75Å; W48-L52 HydrophobicContact CD2-CG 4.48Å; W48-L52 VanDerWaalsContact CE2-CD1 3.42Å; W48-L52 HydrophobicContact CE3-CD1 3.87Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.3Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.71Å; W48-L52 WeakPolarHBondContact O-CG 3.44Å; W48-L52 PolarHBondContact O-N 3.48Å; L49-L52 PolarHBondContact O-N 3.34Å; I50-L52 VanDerWaalsContact C-N 3.33Å; I50-L52 PolarHBondContact O-N 3Å; L52-I54 PolarHBondContact O-N 3.26Å; L52-K55 PolarHBondContact O-N 3.03Å; L52-Q56 PolarHBondContact O-N 3.37Å
53I90.3Very high87.5Confident26 Ų2676.8 Ų76.813%0.13338%0.379CS..Hα-helixtrans-58.4-49.3178.4-69.8175000110.5L49 I50 K55 Q56 M57 V73 I76 M77L49-I53 HydrophobicContact CD2-CD1 3.44Å; L49-I53 VanDerWaalsContact CD2-CD1 3.44Å; L49-I53 HydrophobicContact CD2-CG1 4.35Å; L49-I53 HydrophobicContact CG-CD1 4.35Å; L49-I53 WeakPolarHBondContact O-CG1 3.42Å; L49-I53 PolarHBondContact O-N 3Å; I50-I53 PolarHBondContact O-N 2.88Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.36Å; I53-Q56 PolarHBondContact O-N 2.92Å; I53-M57 HydrophobicContact CG2-CG 4.26Å; I53-M57 WeakPolarHBondContact O-CB 3.23Å; I53-M57 WeakPolarHBondContact O-CG 3.43Å; I53-M57 PolarHBondContact O-N 3.47Å; I53-V73 HydrophobicContact CG2-CG2 4.48Å; I53-I76 HydrophobicContact CD1-CD1 4.31Å; I53-I76 HydrophobicContact CD1-CG2 4.04Å; I53-I76 HydrophobicContact CG2-CD1 4.35Å; I53-I76 HydrophobicContact CG2-CG2 3.8Å; I53-M77 HydrophobicContact CD1-SD 3.99Å
54I89.4Confident86.9Confident67 Ų6782.1 Ų82.134%0.34440%0.402SS..Hα-helixtrans-57.7-47.8177.1-69.8167.3000110.1I50 L52 Q56 M58 V73I50-I54 HydrophobicContact CG2-CD1 3.64Å; I50-I54 HydrophobicContact CG2-CG1 4.38Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.22Å; I50-I54 PolarHBondContact O-N 2.91Å; L52-I54 PolarHBondContact O-N 3.26Å; I54-Q56 VanDerWaalsContact C-N 3.33Å; I54-Q56 PolarHBondContact O-N 3.13Å; I54-M58 HydrophobicContact CG2-CG 3.97Å; I54-M58 WeakPolarHBondContact O-CB 3.43Å; I54-M58 WeakPolarHBondContact O-CG 3.25Å; I54-M58 PolarHBondContact O-N 2.67Å; I54-V73 HydrophobicContact CD1-CG2 4Å; I54-V73 HydrophobicContact CG1-CB 4.5Å; I54-V73 HydrophobicContact CG1-CG2 3.27Å
55K89.1Confident86.3Confident144 Ų14479 Ų7963%0.62638%0.38SS*.Hα-helixtrans-60.3-44-178.2-172.5-179178.3-173.50111.4K51 L52 I53 L59K51-K55 VanDerWaalsContact O-CB 3.32Å; K51-K55 WeakPolarHBondContact O-CB 3.18Å; K51-K55 PolarHBondContact O-N 3.18Å; L52-K55 PolarHBondContact O-N 3.03Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.36Å; K55-L59 VanDerWaalsContact O-CD1 3.28Å; K55-L59 WeakPolarHBondContact O-CD1 3.45Å; K55-L59 WeakPolarHBondContact O-CG 3.49Å
56Q86.8Confident85.9Confident113 Ų11380.6 Ų80.653%0.52838%0.383SS..Hα-helixtrans-70.9-48.3-178.2-73.7-179.6-15.800112.7L52 I53 I54L52-Q56 PolarHBondContact O-N 3.37Å; I53-Q56 PolarHBondContact O-N 2.92Å; I54-Q56 VanDerWaalsContact C-N 3.33Å; I54-Q56 PolarHBondContact O-N 3.13Å
57M84.5Confident85.7Confident12 Ų1284.3 Ų84.36%0.05941%0.408CS..Hα-helixtrans-68.3-38.2-177.3-66.8-68.611900112.3I53 L59 H61 I72 Y212I53-M57 HydrophobicContact CG2-CG 4.26Å; I53-M57 WeakPolarHBondContact O-CB 3.23Å; I53-M57 WeakPolarHBondContact O-CG 3.43Å; I53-M57 PolarHBondContact O-N 3.47Å; M57-L59 VanDerWaalsContact C-N 3.34Å; M57-L59 PolarHBondContact O-N 3.48Å; M57-H61 PolarHBondContact O-CE1 2.83Å; M57-H61 PolarHBondContact O-ND1 3.34Å; M57-I72 HydrophobicContact CG-CG2 4.5Å; M57-Y212 HydrophobicContact CE-CD2 3.99Å; M57-Y212 HydrophobicContact CE-CE2 3.23Å
58M84.4Confident85.5Confident12 Ų1281.4 Ų81.46%0.05939%0.392CS..THydrogen-bonded Turntrans-85.8-3.1-172.5-53.7-46.3-63.600114.1I54 I60 H61 R66 A69I54-M58 HydrophobicContact CG2-CG 3.97Å; I54-M58 WeakPolarHBondContact O-CB 3.43Å; I54-M58 WeakPolarHBondContact O-CG 3.25Å; I54-M58 PolarHBondContact O-N 2.67Å; M58-I60 VanDerWaalsContact C-N 3.26Å; M58-I60 PolarHBondContact O-N 3.2Å; M58-H61 HydrophobicContact CE-CB 4.06Å; M58-H61 PolarHBondContact O-N 3.16Å; M58-R66 VanDerWaalsContact CE-CA 3.4Å; M58-R66 HydrophobicContact CE-CB 4.05Å; M58-R66 HydrophobicContact CE-CG 3.88Å; M58-A69 HydrophobicContact CE-CB 3.72Å; M58-A69 HydrophobicContact CG-CB 4.12Å; M58-A69 HydrophobicContact SD-CB 3.78Å
59L83.3Confident85.3Confident133 Ų13375.1 Ų75.170%0.69637%0.372SS*.THydrogen-bonded Turntrans-62.9-33.3174.9-90159.4000112.6K55 M57K55-L59 VanDerWaalsContact O-CD1 3.28Å; K55-L59 WeakPolarHBondContact O-CD1 3.45Å; K55-L59 WeakPolarHBondContact O-CG 3.49Å; M57-L59 VanDerWaalsContact C-N 3.34Å; M57-L59 PolarHBondContact O-N 3.48Å
60I78.3Confident85.2Confident109 Ų10979.4 Ų79.456%0.55940%0.395SS*.SBendtrans-84.4-16.9-174.7-55.9163.5000111.3M58 H223M58-I60 VanDerWaalsContact C-N 3.26Å; M58-I60 PolarHBondContact O-N 3.2Å; I60-H223 PolarHBondContact O-CE1 3.13Å; I60-H223 PolarHBondContact O-ND1 3.42Å
61H80.8Confident85.2Confident13 Ų1381.1 Ų81.16%0.0640%0.403CS..  trans-94.7140.9-166.9-69.677.1000113.9M57 M58 S219M57-H61 PolarHBondContact O-CE1 2.83Å; M57-H61 PolarHBondContact O-ND1 3.34Å; M58-H61 HydrophobicContact CE-CB 4.06Å; M58-H61 PolarHBondContact O-N 3.16Å; H61-S219 PolarHBondContact NE2-O 3.1Å
62T78.8Confident85.1Confident56 Ų5673.9 Ų73.934%0.34437%0.372SS..  trans-66163.4168.5630000111.1K64 G65 R66T62-K64 PolarHBondContact O-N 3.19Å; T62-K64 VanDerWaalsContact O-N 3.15Å; T62-G65 PolarHBondContact O-N 3.16Å; T62-R66 PolarHBondContact O-N 3.29Å
63P78.6Confident85Confident109 Ų10971.4 Ų71.471%0.70836%0.359SS*.THydrogen-bonded Turntrans-57.3-31-179.621-34.6000113.9R66P63-R66 WeakPolarHBondContact O-CB 3.36Å; P63-R66 PolarHBondContact O-N 3.38Å
64K78.2Confident85.1Confident129 Ų12973.4 Ų73.456%0.56138%0.375SS*.THydrogen-bonded Turntrans-68.9-45.6174.1-71.6-176.3-179175.90111.8T62 R66 T67T62-K64 PolarHBondContact O-N 3.19Å; T62-K64 VanDerWaalsContact O-N 3.15Å; K64-R66 PolarHBondContact O-N 3.49Å; K64-T67 WeakPolarHBondContact O-CB 3.42Å; K64-T67 PolarHBondContact O-N 3.26Å; K64-T67 VanDerWaalsContact O-N 3.16Å; K64-T67 PolarHBondContact O-OG1 3.27Å
65G78.3Confident85.1Confident0 Ų071 Ų710%036%0.363CS..G310 helixtrans-60.2-26.2173.100000112.8T62 T67 W68T62-G65 PolarHBondContact O-N 3.16Å; G65-T67 PolarHBondContact O-N 3.32Å; G65-W68 PolarHBondContact O-N 3.07Å; G65-W68 VanDerWaalsContact O-N 3.13Å
66R83.4Confident85.2Confident151 Ų15165 Ų6557%0.5734%0.338SS*.G310 helixtrans-63.3-22.9176.8-159.2178.9-69.3175.90.1114.7M58 T62 P63 K64 W68 A69M58-R66 VanDerWaalsContact CE-CA 3.4Å; M58-R66 HydrophobicContact CE-CB 4.05Å; M58-R66 HydrophobicContact CE-CG 3.88Å; T62-R66 PolarHBondContact O-N 3.29Å; P63-R66 WeakPolarHBondContact O-CB 3.36Å; P63-R66 PolarHBondContact O-N 3.38Å; K64-R66 PolarHBondContact O-N 3.49Å; R66-W68 PolarHBondContact O-N 3.21Å; R66-A69 VanDerWaalsContact O-CB 3.22Å; R66-A69 WeakPolarHBondContact O-CB 3.35Å; R66-A69 PolarHBondContact O-N 3.15Å; R66-A69 VanDerWaalsContact O-N 3.12Å
67T86.2Confident85.4Confident110 Ų11061 Ų6168%0.67532%0.319SS*.G310 helixtrans-62.7-26.5175.3610000112.9K64 G65 A69K64-T67 WeakPolarHBondContact O-CB 3.42Å; K64-T67 PolarHBondContact O-N 3.26Å; K64-T67 VanDerWaalsContact O-N 3.16Å; K64-T67 PolarHBondContact O-OG1 3.27Å; G65-T67 PolarHBondContact O-N 3.32Å; T67-A69 VanDerWaalsContact C-N 3.31Å; T67-A69 PolarHBondContact O-N 2.89Å
68W86.1Confident85.7Confident50 Ų5062.7 Ų62.719%0.18933%0.326CS..G310 helixtrans-84.91.4177.7-75.770.6000114.2G65 R66 L70 M71 I72 L108 T115 L222G65-W68 PolarHBondContact O-N 3.07Å; G65-W68 VanDerWaalsContact O-N 3.13Å; R66-W68 PolarHBondContact O-N 3.21Å; W68-L70 PolarHBondContact O-N 2.9Å; W68-M71 HydrophobicContact CE3-CB 4.12Å; W68-M71 HydrophobicContact CE3-CE 3.89Å; W68-M71 HydrophobicContact CE3-CG 4.04Å; W68-M71 HydrophobicContact CH2-CE 4.05Å; W68-M71 HydrophobicContact CZ3-CE 3.5Å; W68-M71 HydrophobicContact CZ3-CG 4.24Å; W68-M71 WeakPolarHBondContact O-CB 3.24Å; W68-M71 PolarHBondContact O-N 3.42Å; W68-I72 HydrophobicContact CB-CD1 4.44Å; W68-I72 PolarHBondContact O-N 3.22Å; W68-L108 HydrophobicContact CZ3-CD2 4.47Å; W68-T115 HydrophobicContact CZ2-CG2 4.01Å; W68-L222 HydrophobicContact CB-CD2 3.39Å; W68-L222 HydrophobicContact CD2-CD1 3.96Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CG-CD1 4.02Å; W68-L222 HydrophobicContact CG-CD2 3.51Å; W68-L222 HydrophobicContact CG-CG 4.44Å
69A87.6Confident86Confident19 Ų1962.2 Ų62.216%0.15732%0.324CS..Hα-helixtrans-53.1-43.8-178.800000112.3M58 R66 T67 M71 I72 V73M58-A69 HydrophobicContact CE-CB 3.72Å; M58-A69 HydrophobicContact CG-CB 4.12Å; M58-A69 HydrophobicContact SD-CB 3.78Å; R66-A69 VanDerWaalsContact O-CB 3.22Å; R66-A69 WeakPolarHBondContact O-CB 3.35Å; R66-A69 PolarHBondContact O-N 3.15Å; R66-A69 VanDerWaalsContact O-N 3.12Å; T67-A69 VanDerWaalsContact C-N 3.31Å; T67-A69 PolarHBondContact O-N 2.89Å; A69-M71 VanDerWaalsContact C-N 3.33Å; A69-M71 PolarHBondContact O-N 3Å; A69-I72 PolarHBondContact O-N 3.1Å; A69-V73 WeakPolarHBondContact O-CB 3.46Å; A69-V73 WeakPolarHBondContact O-CG2 3.07Å; A69-V73 PolarHBondContact O-N 2.79Å
70L90.6Very high86.3Confident145 Ų14557 Ų5776%0.75930%0.302SS*.Hα-helixtrans-60.9-44179.9-175.568.2000111.5W68 S74W68-L70 PolarHBondContact O-N 2.9Å; L70-S74 WeakPolarHBondContact O-CB 3.27Å; L70-S74 PolarHBondContact O-N 3.07Å; L70-S74 PolarHBondContact O-OG 2.82Å
71M90.4Very high86.9Confident84 Ų8452.3 Ų52.341%0.41428%0.279SS..Hα-helixtrans-60.3-53.2178.4-171.593.580.500110.4W68 A69 V73 S74 L75 L108W68-M71 HydrophobicContact CE3-CB 4.12Å; W68-M71 HydrophobicContact CE3-CE 3.89Å; W68-M71 HydrophobicContact CE3-CG 4.04Å; W68-M71 HydrophobicContact CH2-CE 4.05Å; W68-M71 HydrophobicContact CZ3-CE 3.5Å; W68-M71 HydrophobicContact CZ3-CG 4.24Å; W68-M71 WeakPolarHBondContact O-CB 3.24Å; W68-M71 PolarHBondContact O-N 3.42Å; A69-M71 VanDerWaalsContact C-N 3.33Å; A69-M71 PolarHBondContact O-N 3Å; M71-V73 VanDerWaalsContact C-N 3.31Å; M71-V73 PolarHBondContact O-N 3.1Å; M71-S74 PolarHBondContact O-N 3.16Å; M71-S74 PolarHBondContact O-OG 2.82Å; M71-L75 WeakPolarHBondContact O-CB 3.31Å; M71-L75 PolarHBondContact O-N 3.31Å; M71-L108 HydrophobicContact CG-CD2 3.73Å; M71-L108 HydrophobicContact SD-CD2 4.07Å
72I89.3Confident87.4Confident3 Ų351.9 Ų51.92%0.01528%0.278CS..Hα-helixtrans-61-41.3-176.5-63.6168.9000111.1M57 W68 A69 L75 I76 L222M57-I72 HydrophobicContact CG-CG2 4.5Å; W68-I72 HydrophobicContact CB-CD1 4.44Å; W68-I72 PolarHBondContact O-N 3.22Å; A69-I72 PolarHBondContact O-N 3.1Å; I72-L75 WeakPolarHBondContact O-CB 3.39Å; I72-L75 PolarHBondContact O-N 2.76Å; I72-I76 PolarHBondContact O-N 3.33Å; I72-I76 VanDerWaalsContact O-N 3.1Å; I72-L222 HydrophobicContact CD1-CD2 4.45Å
73V91.2Very high88Confident15 Ų1549.4 Ų49.49%0.09126%0.262CS..Hα-helixtrans-68.6-44178.2175.30000111.4I50 I53 I54 A69 M71 L75 I76 M77I50-V73 HydrophobicContact CG2-CG1 3.94Å; I53-V73 HydrophobicContact CG2-CG2 4.48Å; I54-V73 HydrophobicContact CD1-CG2 4Å; I54-V73 HydrophobicContact CG1-CB 4.5Å; I54-V73 HydrophobicContact CG1-CG2 3.27Å; A69-V73 WeakPolarHBondContact O-CB 3.46Å; A69-V73 WeakPolarHBondContact O-CG2 3.07Å; A69-V73 PolarHBondContact O-N 2.79Å; M71-V73 VanDerWaalsContact C-N 3.31Å; M71-V73 PolarHBondContact O-N 3.1Å; V73-L75 PolarHBondContact O-N 2.8Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.42Å; V73-I76 PolarHBondContact O-N 3.35Å; V73-M77 HydrophobicContact CG1-CG 4.42Å; V73-M77 WeakPolarHBondContact O-CB 3.38Å; V73-M77 WeakPolarHBondContact O-CG 3.31Å; V73-M77 PolarHBondContact O-N 3.41Å; V73-M77 VanDerWaalsContact O-N 3.16Å
74S91.3Very high88.5Confident67 Ų6748.1 Ų48.147%0.46925%0.249SC..Hα-helixtrans-61-37.6177.369.30000111.5L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.27Å; L70-S74 PolarHBondContact O-N 3.07Å; L70-S74 PolarHBondContact O-OG 2.82Å; M71-S74 PolarHBondContact O-N 3.16Å; M71-S74 PolarHBondContact O-OG 2.82Å; S74-F78 VanDerWaalsContact O-CB 3.25Å; S74-F78 WeakPolarHBondContact O-CB 3.22Å; S74-F78 PolarHBondContact O-N 3.4Å
75L90.4Very high89Confident16 Ų1643.8 Ų43.88%0.08423%0.232CC..Hα-helixtrans-65.6-50.1-179.9-169.378.3000112.5M71 I72 V73 M77 F78 I79 L108 F214 T215 V218M71-L75 WeakPolarHBondContact O-CB 3.31Å; M71-L75 PolarHBondContact O-N 3.31Å; I72-L75 WeakPolarHBondContact O-CB 3.39Å; I72-L75 PolarHBondContact O-N 2.76Å; V73-L75 PolarHBondContact O-N 2.8Å; L75-M77 VanDerWaalsContact C-N 3.31Å; L75-M77 PolarHBondContact O-N 3.32Å; L75-F78 PolarHBondContact O-N 2.96Å; L75-I79 HydrophobicContact CD1-CD1 4.14Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.47Å; L75-I79 PolarHBondContact O-N 3Å; L75-L108 HydrophobicContact CD1-CD1 3.33Å; L75-L108 HydrophobicContact CD2-CD1 3.85Å; L75-L108 HydrophobicContact CG-CD1 4.23Å; L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.79Å; L75-F214 HydrophobicContact CD2-CE1 3.76Å; L75-F214 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CG-CE1 4.2Å; L75-T215 HydrophobicContact CB-CG2 4.25Å; L75-T215 HydrophobicContact CD2-CG2 3.71Å; L75-T215 HydrophobicContact CG-CG2 4.03Å; L75-V218 HydrophobicContact CD2-CG2 4.49Å
76I91.3Very high89.3Confident19 Ų1943.9 Ų43.910%0.09723%0.233CC..Hα-helixtrans-65-38.6-179.4-166.5171.2000111.1I53 I72 V73 G80 Y212 T215I53-I76 HydrophobicContact CD1-CD1 4.31Å; I53-I76 HydrophobicContact CD1-CG2 4.04Å; I53-I76 HydrophobicContact CG2-CD1 4.35Å; I53-I76 HydrophobicContact CG2-CG2 3.8Å; I72-I76 PolarHBondContact O-N 3.33Å; I72-I76 VanDerWaalsContact O-N 3.1Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.42Å; V73-I76 PolarHBondContact O-N 3.35Å; I76-G80 WeakPolarHBondContact O-CA 3.38Å; I76-G80 PolarHBondContact O-N 3.08Å; I76-Y212 HydrophobicContact CD1-CD2 4.46Å; I76-T215 VanDerWaalsContact CA-CG2 3.5Å; I76-T215 HydrophobicContact CB-CG2 3.43Å; I76-T215 VanDerWaalsContact CB-CG2 3.43Å; I76-T215 HydrophobicContact CG1-CG2 3.96Å
77M91.1Very high89.4Confident29 Ų2938.8 Ų38.814%0.14322%0.217CC..Hα-helixtrans-67.3-39.9177.3-65.1-56.8-62.300111.3F31 L49 I50 I53 V73 L75 S81F31-M77 HydrophobicContact CD1-CE 3.85Å; F31-M77 HydrophobicContact CE1-CE 3.06Å; F31-M77 HydrophobicContact CE2-CE 4.16Å; F31-M77 HydrophobicContact CZ-CE 3.25Å; L49-M77 HydrophobicContact CD2-CE 4.01Å; L49-M77 HydrophobicContact CD2-SD 3.59Å; L49-M77 VanDerWaalsContact CD2-SD 3.59Å; I50-M77 HydrophobicContact CG1-SD 4.36Å; I53-M77 HydrophobicContact CD1-SD 3.99Å; V73-M77 HydrophobicContact CG1-CG 4.42Å; V73-M77 WeakPolarHBondContact O-CB 3.38Å; V73-M77 WeakPolarHBondContact O-CG 3.31Å; V73-M77 PolarHBondContact O-N 3.41Å; V73-M77 VanDerWaalsContact O-N 3.16Å; L75-M77 VanDerWaalsContact C-N 3.31Å; L75-M77 PolarHBondContact O-N 3.32Å; M77-S81 VanDerWaalsContact O-CB 3.25Å; M77-S81 WeakPolarHBondContact O-CB 3.3Å; M77-S81 PolarHBondContact O-N 3.15Å; M77-S81 PolarHBondContact O-OG 3.49Å
78F90.9Very high89.4Confident47 Ų4737.9 Ų37.921%0.20621%0.207CC..Hα-helixtrans-67.2-51.4177.8-179.9-103.5000112.5I24 S74 L75 S81 T82 M100 M104I24-F78 HydrophobicContact CG2-CE2 4.46Å; I24-F78 HydrophobicContact CG2-CZ 4.23Å; S74-F78 VanDerWaalsContact O-CB 3.25Å; S74-F78 WeakPolarHBondContact O-CB 3.22Å; S74-F78 PolarHBondContact O-N 3.4Å; L75-F78 PolarHBondContact O-N 2.96Å; F78-S81 PolarHBondContact O-OG 3.3Å; F78-S81 VanDerWaalsContact O-OG 3.09Å; F78-T82 HydrophobicContact CD2-CG2 4.34Å; F78-T82 HydrophobicContact CE1-CG2 4.33Å; F78-T82 HydrophobicContact CE2-CG2 3.97Å; F78-T82 HydrophobicContact CZ-CG2 3.96Å; F78-T82 WeakPolarHBondContact O-CB 3.44Å; F78-T82 WeakPolarHBondContact O-CG2 3.31Å; F78-T82 PolarHBondContact O-N 2.83Å; F78-T82 PolarHBondContact O-OG1 2.87Å; F78-M100 HydrophobicContact CE1-CE 3.87Å; F78-M100 HydrophobicContact CZ-CE 3.8Å; F78-M104 HydrophobicContact CD1-SD 3.85Å; F78-M104 HydrophobicContact CE1-CE 4.06Å; F78-M104 HydrophobicContact CE1-SD 3.57Å; F78-M104 VanDerWaalsContact CE1-SD 3.57Å
79I90.6Very high89.2Confident3 Ų340.7 Ų40.72%0.01523%0.232CC..Hα-helixtrans-67.1-42.8-179.2-61.5171.8000110.5L75 S81 T82 N83 M104 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.14Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.47Å; L75-I79 PolarHBondContact O-N 3Å; I79-S81 PolarHBondContact O-N 3.23Å; I79-T82 WeakPolarHBondContact CA-OG1 3.2Å; I79-T82 PolarHBondContact O-OG1 3.45Å; I79-N83 WeakPolarHBondContact O-CB 3.44Å; I79-N83 PolarHBondContact O-N 3.23Å; I79-N83 PolarHBondContact O-ND2 3.15Å; I79-M104 HydrophobicContact CG1-SD 4.5Å; I79-L160 HydrophobicContact CG2-CD1 3.59Å; I79-A211 HydrophobicContact CB-CB 4.15Å; I79-A211 HydrophobicContact CG2-CB 3.8Å; I79-F214 HydrophobicContact CD1-CB 4.29Å; I79-F214 HydrophobicContact CD1-CD1 3.34Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.64Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.27Å
80G90.1Very high88.9Confident22 Ų2249.5 Ų49.523%0.22727%0.269CS..Hα-helixtrans-62-44.4178.800000112.5I76 L84I76-G80 WeakPolarHBondContact O-CA 3.38Å; I76-G80 PolarHBondContact O-N 3.08Å; G80-L84 WeakPolarHBondContact O-CB 3.33Å; G80-L84 PolarHBondContact O-N 2.93Å
81S90.9Very high88.5Confident11 Ų1145.1 Ų45.18%0.07725%0.249CC..Hα-helixtrans-70.3-43179.156.30000112.9P27 M77 F78 I79 L84 L85P27-S81 VanDerWaalsContact CB-OG 3.26Å; P27-S81 WeakPolarHBondContact CB-OG 3.36Å; M77-S81 VanDerWaalsContact O-CB 3.25Å; M77-S81 WeakPolarHBondContact O-CB 3.3Å; M77-S81 PolarHBondContact O-N 3.15Å; M77-S81 PolarHBondContact O-OG 3.49Å; F78-S81 PolarHBondContact O-OG 3.3Å; F78-S81 VanDerWaalsContact O-OG 3.09Å; I79-S81 PolarHBondContact O-N 3.23Å; S81-L84 PolarHBondContact O-N 3.41Å; S81-L85 VanDerWaalsContact O-CB 3.31Å; S81-L85 WeakPolarHBondContact O-CB 3.38Å; S81-L85 WeakPolarHBondContact O-CD1 3.32Å; S81-L85 WeakPolarHBondContact O-CG 3.43Å; S81-L85 PolarHBondContact O-N 2.98Å
82T90.3Very high88.1Confident5 Ų542.4 Ų42.43%0.03123%0.234CC..Hα-helixtrans-63.1-41.7177.6480000112.7P27 F78 I79 G86 P94P27-T82 HydrophobicContact CB-CG2 4.27Å; P27-T82 HydrophobicContact CG-CG2 3.43Å; P27-T82 VanDerWaalsContact CG-CG2 3.43Å; F78-T82 HydrophobicContact CD2-CG2 4.34Å; F78-T82 HydrophobicContact CE1-CG2 4.33Å; F78-T82 HydrophobicContact CE2-CG2 3.97Å; F78-T82 HydrophobicContact CZ-CG2 3.96Å; F78-T82 WeakPolarHBondContact O-CB 3.44Å; F78-T82 WeakPolarHBondContact O-CG2 3.31Å; F78-T82 PolarHBondContact O-N 2.83Å; F78-T82 PolarHBondContact O-OG1 2.87Å; I79-T82 WeakPolarHBondContact CA-OG1 3.2Å; I79-T82 PolarHBondContact O-OG1 3.45Å; T82-G86 PolarHBondContact O-N 3.22Å; T82-G86 VanDerWaalsContact O-N 3.08Å; T82-P94 HydrophobicContact CG2-CG 4.48Å
83N90.5Very high87.8Confident4 Ų442.4 Ų42.42%0.02124%0.235CC..Hα-helixtrans-67.5-41.1176.4-67.8-10.3000111.7I79 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact O-CB 3.44Å; I79-N83 PolarHBondContact O-N 3.23Å; I79-N83 PolarHBondContact O-ND2 3.15Å; N83-G86 WeakPolarHBondContact O-CA 3.3Å; N83-G86 PolarHBondContact O-N 3.23Å; N83-G86 VanDerWaalsContact O-N 3.14Å; N83-L87 PolarHBondContact O-N 3.33Å; N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.37Å; N83-T95 PolarHBondContact OD1-OG1 2.93Å; N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.39Å; N83-A207 HydrophobicContact CB-CB 3.97Å
84L89.2Confident87.4Confident82 Ų8242.1 Ų42.143%0.42923%0.233SC..Hα-helixtrans-67.2-45.7179.9179.564.1000112.3G80 S81 G86 L87 F204G80-L84 WeakPolarHBondContact O-CB 3.33Å; G80-L84 PolarHBondContact O-N 2.93Å; S81-L84 PolarHBondContact O-N 3.41Å; L84-G86 PolarHBondContact O-N 3.07Å; L84-L87 PolarHBondContact O-N 2.76Å; L84-F204 HydrophobicContact CD1-CD2 3.62Å; L84-F204 HydrophobicContact CD1-CE2 3.11Å; L84-F204 HydrophobicContact CD1-CZ 3.64Å; L84-F204 HydrophobicContact CG-CE2 4.5Å
85L89.1Confident87Confident38 Ų3839 Ų3920%0.19921%0.211CC..Hα-helixtrans-56.8-31171.4-83.1157.1000111.5F26 P27 L30 S81 L87 L88 T91F26-L85 HydrophobicContact CD1-CD1 3.94Å; F26-L85 HydrophobicContact CD1-CD2 3.8Å; F26-L85 HydrophobicContact CE1-CD1 4.45Å; F26-L85 HydrophobicContact CE1-CD2 3.59Å; P27-L85 HydrophobicContact CB-CD1 3.92Å; P27-L85 HydrophobicContact CG-CD1 3.83Å; L30-L85 HydrophobicContact CD1-CD1 3.75Å; L30-L85 HydrophobicContact CD1-CD2 4.18Å; L30-L85 HydrophobicContact CD1-CG 4.16Å; S81-L85 VanDerWaalsContact O-CB 3.31Å; S81-L85 WeakPolarHBondContact O-CB 3.38Å; S81-L85 WeakPolarHBondContact O-CD1 3.32Å; S81-L85 WeakPolarHBondContact O-CG 3.43Å; S81-L85 PolarHBondContact O-N 2.98Å; L85-L87 PolarHBondContact O-N 3.05Å; L85-L88 HydrophobicContact CD2-CD1 4.21Å; L85-L88 WeakPolarHBondContact O-CB 3.16Å; L85-L88 WeakPolarHBondContact O-CG 3.32Å; L85-L88 PolarHBondContact O-N 3.36Å; L85-T91 PolarHBondContact O-OG1 3.18Å
86G84.9Confident86.8Confident2 Ų238.6 Ų38.62%0.02121%0.21CC..Hα-helixtrans-63.6-35.2-178.500000116.6T82 N83 L84 L88 T91 H168T82-G86 PolarHBondContact O-N 3.22Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.3Å; N83-G86 PolarHBondContact O-N 3.23Å; N83-G86 VanDerWaalsContact O-N 3.14Å; L84-G86 PolarHBondContact O-N 3.07Å; G86-L88 PolarHBondContact O-N 3.26Å; G86-T91 PolarHBondContact O-OG1 3.32Å; G86-H168 PolarHBondContact O-CE1 3.21Å; G86-H168 PolarHBondContact O-NE2 3.17Å; G86-H168 VanDerWaalsContact O-NE2 3.13Å
87L85.8Confident86.7Confident44 Ų4440.5 Ų40.523%0.2322%0.218CC..THydrogen-bonded Turntrans-73.2-5.8-178.8-63.6174000112.9N83 L84 L85 M171 E203 F204 A207N83-L87 PolarHBondContact O-N 3.33Å; L84-L87 PolarHBondContact O-N 2.76Å; L85-L87 PolarHBondContact O-N 3.05Å; L87-M171 HydrophobicContact CD2-CE 4.44Å; L87-E203 HydrophobicContact CD2-CB 3.88Å; L87-E203 VanDerWaalsContact CD2-OE2 3.26Å; L87-E203 WeakPolarHBondContact CD2-OE2 3.39Å; L87-F204 HydrophobicContact CD1-CB 4.24Å; L87-F204 HydrophobicContact CD1-CD2 4.41Å; L87-A207 HydrophobicContact CD1-CB 4.03Å
88L86.3Confident86.5Confident90 Ų9042.4 Ų42.447%0.47123%0.228SC..SBendtrans-67.3149.1175.8-67.6171.8000110.5L85 G86 H90 T91L85-L88 HydrophobicContact CD2-CD1 4.21Å; L85-L88 WeakPolarHBondContact O-CB 3.16Å; L85-L88 WeakPolarHBondContact O-CG 3.32Å; L85-L88 PolarHBondContact O-N 3.36Å; G86-L88 PolarHBondContact O-N 3.26Å; L88-H90 PolarHBondContact O-N 3.23Å; L88-T91 HydrophobicContact CB-CG2 3.61Å; L88-T91 HydrophobicContact CD1-CG2 4.39Å; L88-T91 PolarHBondContact O-N 2.94Å; L88-T91 PolarHBondContact O-OG1 2.7Å
89P81.2Confident86.3Confident109 Ų10944.2 Ų44.271%0.70825%0.247SC*.THydrogen-bonded Turntrans-62133.9179.325.1-33.4000110.5T91P89-T91 PolarHBondContact O-N 3.26Å; P89-T91 VanDerWaalsContact O-N 3.17Å
90H80.8Confident86.2Confident205 Ų20546 Ų4695%0.94926%0.255SS*.THydrogen-bonded Turntrans59.816.4178.6-57.3-69.7000116.3L88L88-H90 PolarHBondContact O-N 3.23Å
91T83.4Confident86.1Confident53 Ų5345 Ų4533%0.32525%0.245SC..  trans-85.6136.6173.252.10000112L85 G86 L88 P89L85-T91 PolarHBondContact O-OG1 3.18Å; G86-T91 PolarHBondContact O-OG1 3.32Å; L88-T91 HydrophobicContact CB-CG2 3.61Å; L88-T91 HydrophobicContact CD1-CG2 4.39Å; L88-T91 PolarHBondContact O-N 2.94Å; L88-T91 PolarHBondContact O-OG1 2.7Å; P89-T91 PolarHBondContact O-N 3.26Å; P89-T91 VanDerWaalsContact O-N 3.17Å
92F81.3Confident85.9Confident26 Ų2646.5 Ų46.511%0.11425%0.252CS..  trans-79.7123.2170.9175-94.8000110.2S8 T11 P12 V20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.49Å; T11-F92 HydrophobicContact CG2-CZ 4.26Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.14Å; P12-F92 HydrophobicContact CG-CD2 4.44Å; P12-F92 HydrophobicContact CG-CG 4.06Å; V20-F92 HydrophobicContact CG1-CE1 4.3Å; V20-F92 HydrophobicContact CG2-CE1 4.12Å; I23-F92 HydrophobicContact CD1-CB 4.19Å; I23-F92 HydrophobicContact CD1-CD1 4Å; I23-F92 HydrophobicContact CD1-CG 4.47Å; F92-P94 HydrophobicContact CE1-CB 4.43Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; F92-Q97 HydrophobicContact CZ-CG 4.13Å
93T83.1Confident85.8Confident3 Ų350.1 Ų50.12%0.01828%0.278CS..  trans-92112.6176.229.50000111.3T95 T96 I164T93-T95 PolarHBondContact O-N 3.22Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 3.17Å; T93-T96 PolarHBondContact O-OG1 3.03Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.38Å; T93-I164 HydrophobicContact CG2-CG2 4.28Å
94P81.8Confident85.6Confident9 Ų951.2 Ų51.26%0.05828%0.283CS..G310 helixtrans-64.1-22.6176.726.5-33.6000112.7I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.31Å; I24-P94 HydrophobicContact CG1-CB 3.8Å; I24-P94 HydrophobicContact CG1-CG 4.12Å; T82-P94 HydrophobicContact CG2-CG 4.48Å; F92-P94 HydrophobicContact CE1-CB 4.43Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.28Å; P94-Q97 PolarHBondContact O-N 3.44Å; P94-M100 WeakPolarHBondContact O-CB 3.37Å
95T84.7Confident85.4Confident1 Ų147.5 Ų47.51%0.00626%0.264CS..G310 helixtrans-76.4-7.818050.10000114.5N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.37Å; N83-T95 PolarHBondContact OD1-OG1 2.93Å; T93-T95 PolarHBondContact O-N 3.22Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 2.8Å; T95-L160 HydrophobicContact CG2-CD2 3.94Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.39Å
96T85.4Confident85.4Confident9 Ų949.8 Ų49.86%0.05528%0.275CS..G310 helixtrans-74.1-27170.156.10000112.5F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.82Å; F9-T96 HydrophobicContact CE1-CG2 3.71Å; T93-T96 PolarHBondContact O-N 3.17Å; T93-T96 PolarHBondContact O-OG1 3.03Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.38Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.28Å; T96-L98 PolarHBondContact O-N 3.34Å; T96-T161 WeakPolarHBondContact O-CG2 3.46Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å
97Q88.6Confident85.6Confident59 Ų5953.4 Ų53.428%0.27630%0.299SS..SBendtrans-77.9119.8178.8-64.4-62.7-35.400109.7F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 2.97Å; F92-Q97 HydrophobicContact CZ-CG 4.13Å; P94-Q97 PolarHBondContact O-N 3.44Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 2.93Å; Q97-M100 PolarHBondContact O-N 3.1Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.42Å
98L86.7Confident85.6Confident68 Ų6852.1 Ų52.136%0.35629%0.292SS..Hα-helixtrans-57.8-33.5178.8-176.263.8000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.34Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.4Å; L98-N101 PolarHBondContact O-N 3.07Å; L98-L102 HydrophobicContact CD1-CD1 3.72Å; L98-L102 HydrophobicContact CG-CD1 4.02Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 PolarHBondContact O-N 3.35Å; L98-M154 HydrophobicContact CD2-CE 4.17Å; L98-A157 HydrophobicContact CD1-CB 4.43Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.96Å
99S87.9Confident85.6Confident85 Ų8549.5 Ų49.559%0.59428%0.276SS*.Hα-helixtrans-56.2-43.3176.655.80000112.7Q97 S103Q97-S99 PolarHBondContact O-N 2.93Å; S99-S103 VanDerWaalsContact O-CB 3.26Å; S99-S103 WeakPolarHBondContact O-CB 3.47Å; S99-S103 PolarHBondContact O-N 3.01Å
100M87.4Confident85.8Confident40 Ų4045.6 Ų45.620%0.19725%0.253CS..Hα-helixtrans-67.5-44-178.8-173.755.9-169.500111.1I24 F78 P94 Q97 L98 S103 M104I24-M100 HydrophobicContact CD1-CE 4.34Å; I24-M100 HydrophobicContact CD1-SD 4.21Å; I24-M100 HydrophobicContact CG2-CE 4.41Å; F78-M100 HydrophobicContact CE1-CE 3.87Å; F78-M100 HydrophobicContact CZ-CE 3.8Å; P94-M100 WeakPolarHBondContact O-CB 3.37Å; Q97-M100 PolarHBondContact O-N 3.1Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.4Å; M100-S103 PolarHBondContact O-N 3.21Å; M100-M104 HydrophobicContact CE-CE 3.61Å; M100-M104 HydrophobicContact CE-SD 4.24Å; M100-M104 HydrophobicContact CG-CE 3.61Å; M100-M104 VanDerWaalsContact O-CE 3.31Å; M100-M104 WeakPolarHBondContact O-CE 3.47Å; M100-M104 PolarHBondContact O-N 3.12Å; M100-M104 VanDerWaalsContact O-N 3.16Å; M100-M104 HydrophobicContact SD-CE 4.15Å
101N88.2Confident86Confident3 Ų336.7 Ų36.72%0.01622%0.217CC..Hα-helixtrans-70.6-38.7180-64.8-13.4000112.4T95 Q97 L98 S103 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 2.8Å; Q97-N101 PolarHBondContact O-N 3.42Å; L98-N101 PolarHBondContact O-N 3.07Å; N101-S103 VanDerWaalsContact C-N 3.34Å; N101-M104 PolarHBondContact O-N 3.24Å; N101-A105 WeakPolarHBondContact O-CB 3.38Å; N101-A105 PolarHBondContact O-N 3.44Å; N101-A157 HydrophobicContact CB-CB 3.83Å; N101-A157 PolarHBondContact ND2-O 3.43Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.29Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.12Å; N101-T161 HydrophobicContact CB-CG2 4.39Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.19Å; N101-T161 PolarHBondContact ND2-N 2.84Å
102L86.4Confident86Confident42 Ų4234.3 Ų34.322%0.2220%0.202CC..Hα-helixtrans-63.5-42.6173.4-115.272.6000111.3L98 M104 A105 I106 M154 A157L98-L102 HydrophobicContact CD1-CD1 3.72Å; L98-L102 HydrophobicContact CG-CD1 4.02Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 PolarHBondContact O-N 3.35Å; L102-M104 PolarHBondContact O-N 2.87Å; L102-A105 PolarHBondContact O-N 3Å; L102-I106 HydrophobicContact CB-CD1 4.17Å; L102-I106 HydrophobicContact CD2-CD1 3.88Å; L102-I106 HydrophobicContact CG-CD1 3.82Å; L102-I106 HydrophobicContact CG-CG1 4.41Å; L102-I106 WeakPolarHBondContact O-CB 3.39Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 3.05Å; L102-M154 HydrophobicContact CD1-CE 3.94Å; L102-M154 HydrophobicContact CD1-SD 3.38Å; L102-M154 WeakPolarHBondContact CD1-SD 3.26Å; L102-M154 HydrophobicContact CD2-CE 4.4Å; L102-M154 HydrophobicContact CD2-SD 3.9Å; L102-M154 HydrophobicContact CG-SD 4.03Å; L102-A157 HydrophobicContact CD1-CB 3.49Å; L102-A157 VanDerWaalsContact CD1-CB 3.49Å
103S88.4Confident86.1Confident81 Ų8133.9 Ų33.957%0.56620%0.202SC*.Hα-helixtrans-62-27.7178.2-174.30000112.6S99 M100 N101 P107S99-S103 VanDerWaalsContact O-CB 3.26Å; S99-S103 WeakPolarHBondContact O-CB 3.47Å; S99-S103 PolarHBondContact O-N 3.01Å; M100-S103 PolarHBondContact O-N 3.21Å; N101-S103 VanDerWaalsContact C-N 3.34Å; S103-P107 WeakPolarHBondContact O-CD 3.25Å; S103-P107 WeakPolarHBondContact O-CG 3.46Å
104M85.9Confident86.1Confident27 Ų2738.4 Ų38.413%0.13323%0.225CC..Hα-helixtrans-83.4-46.1172.5-74.8-178.7-90.300112.2F78 I79 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.85Å; F78-M104 HydrophobicContact CE1-CE 4.06Å; F78-M104 HydrophobicContact CE1-SD 3.57Å; F78-M104 VanDerWaalsContact CE1-SD 3.57Å; I79-M104 HydrophobicContact CG1-SD 4.5Å; M100-M104 HydrophobicContact CE-CE 3.61Å; M100-M104 HydrophobicContact CE-SD 4.24Å; M100-M104 HydrophobicContact CG-CE 3.61Å; M100-M104 VanDerWaalsContact O-CE 3.31Å; M100-M104 WeakPolarHBondContact O-CE 3.47Å; M100-M104 PolarHBondContact O-N 3.12Å; M100-M104 VanDerWaalsContact O-N 3.16Å; M100-M104 HydrophobicContact SD-CE 4.15Å; N101-M104 PolarHBondContact O-N 3.24Å; L102-M104 PolarHBondContact O-N 2.87Å; M104-L108 WeakPolarHBondContact O-CD1 3.39Å; M104-L108 WeakPolarHBondContact O-CG 3.38Å
105A86.6Confident86.1Confident3 Ų339 Ų393%0.02523%0.229CC..Hα-helixtrans-68.3-44.8-172.700000113.2N101 L102 L108 W109 A157 F214N101-A105 WeakPolarHBondContact O-CB 3.38Å; N101-A105 PolarHBondContact O-N 3.44Å; L102-A105 PolarHBondContact O-N 3Å; A105-L108 PolarHBondContact O-N 3.38Å; A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.42Å; A105-W109 PolarHBondContact O-N 3.35Å; A105-A157 HydrophobicContact CB-CB 4.22Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.13Å
106I87.9Confident85.7Confident86 Ų8639 Ų3944%0.44123%0.228SC..Hα-helixtrans-63.8-49.4-174.1-64.3166.1000111.6L102 L108 W109 A110L102-I106 HydrophobicContact CB-CD1 4.17Å; L102-I106 HydrophobicContact CD2-CD1 3.88Å; L102-I106 HydrophobicContact CG-CD1 3.82Å; L102-I106 HydrophobicContact CG-CG1 4.41Å; L102-I106 WeakPolarHBondContact O-CB 3.39Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 3.05Å; I106-L108 PolarHBondContact O-N 2.9Å; I106-W109 PolarHBondContact O-N 3.39Å; I106-A110 WeakPolarHBondContact O-CB 3.33Å; I106-A110 PolarHBondContact O-N 2.91Å
107P89.3Confident85.3Confident79 Ų7941.9 Ų41.951%0.51324%0.24SC..Hα-helixtrans-65.4-37.3-179.9-24.236.7000113.6S103 G111S103-P107 WeakPolarHBondContact O-CD 3.25Å; S103-P107 WeakPolarHBondContact O-CG 3.46Å; P107-G111 PolarHBondContact O-N 2.88Å
108L87.2Confident84.7Confident17 Ų1748.5 Ų48.59%0.08926%0.263CS..Hα-helixtrans-66-46.7178.1-76.7161.5000111.5W68 M71 L75 M104 A105 I106 G111 A112 F214 V218W68-L108 HydrophobicContact CZ3-CD2 4.47Å; M71-L108 HydrophobicContact CG-CD2 3.73Å; M71-L108 HydrophobicContact SD-CD2 4.07Å; L75-L108 HydrophobicContact CD1-CD1 3.33Å; L75-L108 HydrophobicContact CD2-CD1 3.85Å; L75-L108 HydrophobicContact CG-CD1 4.23Å; M104-L108 WeakPolarHBondContact O-CD1 3.39Å; M104-L108 WeakPolarHBondContact O-CG 3.38Å; A105-L108 PolarHBondContact O-N 3.38Å; I106-L108 PolarHBondContact O-N 2.9Å; L108-G111 PolarHBondContact O-N 2.85Å; L108-A112 PolarHBondContact O-N 3.11Å; L108-F214 HydrophobicContact CD1-CE1 4.28Å; L108-V218 HydrophobicContact CB-CG1 4.47Å
109W85.8Confident84Confident34 Ų3450.6 Ų50.613%0.12927%0.271CS..Hα-helixtrans-63.4-47.4175.7172.490.3000111.5A105 I106 G111 A112 V113 L149 F150 P153A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.42Å; A105-W109 PolarHBondContact O-N 3.35Å; I106-W109 PolarHBondContact O-N 3.39Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.4Å; W109-A112 PolarHBondContact O-N 3.02Å; W109-A112 VanDerWaalsContact O-N 3.15Å; W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.45Å; W109-V113 HydrophobicContact CZ2-CG2 3.96Å; W109-V113 WeakPolarHBondContact O-CG2 3.37Å; W109-V113 PolarHBondContact O-N 3.46Å; W109-L149 HydrophobicContact CH2-CD2 4.14Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 WeakPolarHBondContact CZ2-O 3.45Å; W109-L149 PolarHBondContact NE1-O 3Å; W109-L149 VanDerWaalsContact NE1-O 3.15Å; W109-F150 AromaticContact CH2-CD1 3.68Å; W109-F150 HydrophobicContact CH2-CD1 3.68Å; W109-F150 AromaticContact CH2-CE1 3.59Å; W109-F150 HydrophobicContact CH2-CE1 3.59Å; W109-F150 HydrophobicContact CH2-CZ 4.38Å; W109-F150 HydrophobicContact CZ2-CD1 4.22Å; W109-F150 HydrophobicContact CZ2-CE1 4.46Å; W109-F150 HydrophobicContact CZ3-CD1 4.45Å; W109-F150 HydrophobicContact CZ3-CE1 4.29Å; W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.35Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.84Å; W109-P153 HydrophobicContact CE3-CG 4.44Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.76Å
110A85.4Confident83Confident27 Ų2751.1 Ų51.122%0.22326%0.262CS..Hα-helixtrans-60.5-41.1178.500000110.8I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.33Å; I106-A110 PolarHBondContact O-N 2.91Å; A110-V113 PolarHBondContact O-N 3.36Å; A110-I114 HydrophobicContact CB-CD1 4.48Å; A110-I114 VanDerWaalsContact O-CB 3.28Å; A110-I114 WeakPolarHBondContact O-CB 3.22Å; A110-I114 WeakPolarHBondContact O-CD1 2.98Å; A110-I114 WeakPolarHBondContact O-CG1 3.24Å; A110-I114 PolarHBondContact O-N 3.43Å
111G85.3Confident81.8Confident19 Ų1954 Ų5420%0.19628%0.278CS..Hα-helixtrans-57.4-49.3173.700000112.6P107 L108 W109 I114 T115P107-G111 PolarHBondContact O-N 2.88Å; L108-G111 PolarHBondContact O-N 2.85Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.4Å; G111-I114 PolarHBondContact O-N 3.21Å; G111-T115 WeakPolarHBondContact O-CG2 3.33Å; G111-T115 PolarHBondContact O-N 3.33Å; G111-T115 PolarHBondContact O-OG1 3.37Å; G111-T115 VanDerWaalsContact O-OG1 3.12Å
112A83.1Confident80.5Confident3 Ų363 Ų633%0.02532%0.317CS..Hα-helixtrans-60.5-47.6178.100000112L108 W109 T115 G116L108-A112 PolarHBondContact O-N 3.11Å; W109-A112 PolarHBondContact O-N 3.02Å; W109-A112 VanDerWaalsContact O-N 3.15Å; A112-T115 WeakPolarHBondContact CA-OG1 3.35Å; A112-T115 PolarHBondContact O-N 3.44Å; A112-T115 PolarHBondContact O-OG1 3.27Å; A112-G116 PolarHBondContact O-N 3.28Å
113V82.7Confident79.5Confident16 Ų1663.8 Ų63.810%0.09733%0.325CS..Hα-helixtrans-63.4-45.7179173.70000111.4W109 A110 T115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.45Å; W109-V113 HydrophobicContact CZ2-CG2 3.96Å; W109-V113 WeakPolarHBondContact O-CG2 3.37Å; W109-V113 PolarHBondContact O-N 3.46Å; A110-V113 PolarHBondContact O-N 3.36Å; V113-T115 VanDerWaalsContact C-N 3.32Å; V113-T115 PolarHBondContact O-N 3.5Å; V113-G116 PolarHBondContact O-N 3.22Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.39Å; V113-F117 VanDerWaalsContact O-CD2 3.26Å; V113-F117 WeakPolarHBondContact O-CD2 3.12Å; V113-F117 PolarHBondContact O-N 3.2Å
114I83.9Confident78.2Confident98 Ų9860.6 Ų60.650%0.50330%0.304SS..Hα-helixtrans-62-40.6177.2-68.2163.3000110.6A110 G111 G116 F117 R118A110-I114 HydrophobicContact CB-CD1 4.48Å; A110-I114 VanDerWaalsContact O-CB 3.28Å; A110-I114 WeakPolarHBondContact O-CB 3.22Å; A110-I114 WeakPolarHBondContact O-CD1 2.98Å; A110-I114 WeakPolarHBondContact O-CG1 3.24Å; A110-I114 PolarHBondContact O-N 3.43Å; G111-I114 PolarHBondContact O-N 3.21Å; I114-G116 VanDerWaalsContact C-N 3.31Å; I114-G116 PolarHBondContact O-N 2.97Å; I114-F117 PolarHBondContact O-N 3.2Å; I114-R118 HydrophobicContact CG2-CG 4.36Å; I114-R118 WeakPolarHBondContact O-CB 3.43Å; I114-R118 VanDerWaalsContact O-CG 3.27Å; I114-R118 WeakPolarHBondContact O-CG 3.23Å; I114-R118 PolarHBondContact O-N 3.45Å
115T80.6Confident77.1Confident23 Ų2364.1 Ų64.114%0.14132%0.322CS..Hα-helixtrans-64.2-36.6175.452.90000112.6W68 G111 A112 V113 R118 H119W68-T115 HydrophobicContact CZ2-CG2 4.01Å; G111-T115 WeakPolarHBondContact O-CG2 3.33Å; G111-T115 PolarHBondContact O-N 3.33Å; G111-T115 PolarHBondContact O-OG1 3.37Å; G111-T115 VanDerWaalsContact O-OG1 3.12Å; A112-T115 WeakPolarHBondContact CA-OG1 3.35Å; A112-T115 PolarHBondContact O-N 3.44Å; A112-T115 PolarHBondContact O-OG1 3.27Å; V113-T115 VanDerWaalsContact C-N 3.32Å; V113-T115 PolarHBondContact O-N 3.5Å; T115-R118 PolarHBondContact O-N 2.86Å; T115-H119 PolarHBondContact O-CD2 3.07Å; T115-H119 VanDerWaalsContact O-CD2 3.31Å; T115-H119 PolarHBondContact O-N 3.17Å
116G76.8Confident75.9Confident0 Ų066.9 Ų66.90%035%0.345CS..Hα-helixtrans-65.3-47.817600000113A112 V113 I114 R118 H119 K120 N225A112-G116 PolarHBondContact O-N 3.28Å; V113-G116 PolarHBondContact O-N 3.22Å; V113-G116 VanDerWaalsContact O-N 3.13Å; I114-G116 VanDerWaalsContact C-N 3.31Å; I114-G116 PolarHBondContact O-N 2.97Å; G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 2.91Å; G116-H119 PolarHBondContact O-N 3.06Å; G116-K120 CarbonylContact O-C 3.45Å; G116-K120 PolarHBondContact O-N 3.37Å; G116-N225 WeakPolarHBondContact CA-O 3.33Å
117F77.6Confident74.8Confident70 Ų7068.5 Ų68.531%0.30735%0.35SS..Hα-helixtrans-59.9-44173.6-77.2-65.3000111.2V113 I114 H119 L121 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.39Å; V113-F117 VanDerWaalsContact O-CD2 3.26Å; V113-F117 WeakPolarHBondContact O-CD2 3.12Å; V113-F117 PolarHBondContact O-N 3.2Å; I114-F117 PolarHBondContact O-N 3.2Å; F117-H119 PolarHBondContact O-N 3.24Å; F117-L121 HydrophobicContact CB-CD2 3.91Å; F117-L121 HydrophobicContact CD1-CD2 3.83Å; F117-L121 HydrophobicContact CG-CD2 4.37Å; F117-L121 WeakPolarHBondContact O-CD2 3.39Å; F117-L121 WeakPolarHBondContact O-CG 3.37Å; F117-L121 PolarHBondContact O-N 3.5Å; F117-L125 HydrophobicContact CE1-CD2 4.46Å; F117-L125 HydrophobicContact CE1-CG 4.43Å; F117-F128 HydrophobicContact CZ-CE2 4.47Å
118R76.3Confident73.5Confident198 Ų19866.1 Ų66.175%0.74733%0.332SS*.Hα-helixtrans-66.4-36-178.6-73.3-179.669.7-164.10.9114.2I114 T115 G116I114-R118 HydrophobicContact CG2-CG 4.36Å; I114-R118 WeakPolarHBondContact O-CB 3.43Å; I114-R118 VanDerWaalsContact O-CG 3.27Å; I114-R118 WeakPolarHBondContact O-CG 3.23Å; I114-R118 PolarHBondContact O-N 3.45Å; T115-R118 PolarHBondContact O-N 2.86Å; G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 2.91Å
119H70.4Confident72.3Confident112 Ų11268.1 Ų68.152%0.51934%0.343SS..Hα-helixtrans-95.7-31.9-173.9-71.5-54.1000114.4T115 G116 F117T115-H119 PolarHBondContact O-CD2 3.07Å; T115-H119 VanDerWaalsContact O-CD2 3.31Å; T115-H119 PolarHBondContact O-N 3.17Å; G116-H119 PolarHBondContact O-N 3.06Å; F117-H119 PolarHBondContact O-N 3.24Å
120K67.7Low71.1Confident96 Ų9669.7 Ų69.742%0.41736%0.357SS..Hα-helixtrans-146.365.4-177.6-67.5178.8178.9165.10112.1G116 K122 S123 S124 T226G116-K120 CarbonylContact O-C 3.45Å; G116-K120 PolarHBondContact O-N 3.37Å; K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.13Å; K120-S123 PolarHBondContact O-N 2.95Å; K120-S123 VanDerWaalsContact O-N 3.15Å; K120-S124 WeakPolarHBondContact O-CB 3.29Å; K120-S124 PolarHBondContact O-N 2.9Å; K120-T226 WeakPolarHBondContact CE-O 3.33Å; K120-T226 PolarHBondContact NZ-O 3.39Å; K120-T226 PolarHBondContact NZ-OXT 2.89Å
121L62.3Low70Confident101 Ų10178.2 Ų78.253%0.52939%0.392SS..Hα-helixtrans-46.6-48.1176.4-72.9177.7000113.3F117 L125F117-L121 HydrophobicContact CB-CD2 3.91Å; F117-L121 HydrophobicContact CD1-CD2 3.83Å; F117-L121 HydrophobicContact CG-CD2 4.37Å; F117-L121 WeakPolarHBondContact O-CD2 3.39Å; F117-L121 WeakPolarHBondContact O-CG 3.37Å; F117-L121 PolarHBondContact O-N 3.5Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 WeakPolarHBondContact O-CD1 3.1Å; L121-L125 WeakPolarHBondContact O-CG 3.39Å; L121-L125 PolarHBondContact O-N 3.31Å
122K60.6Low68.9Low191 Ų19181.2 Ų81.283%0.8342%0.423SS*.Hα-helixtrans-67.9-38.4-176.3-65-173.5-178.1-1770113.2K120 A126K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.13Å; K122-A126 VanDerWaalsContact O-CB 3.23Å; K122-A126 WeakPolarHBondContact O-CB 3.48Å; K122-A126 PolarHBondContact O-N 3.06Å
123S65.4Low68.5Low58 Ų5882.6 Ų82.641%0.40643%0.432SS..Hα-helixtrans-75.9-38.2-179.7-163.50000111.5K120 A126 H127K120-S123 PolarHBondContact O-N 2.95Å; K120-S123 VanDerWaalsContact O-N 3.15Å; S123-A126 PolarHBondContact O-N 3.01Å; S123-H127 PolarHBondContact O-N 2.91Å; S123-H127 VanDerWaalsContact O-N 3.1Å
124S62.3Low68.2Low15 Ų1585.6 Ų85.611%0.10545%0.451CS..Hα-helixtrans-65.4-42.5176.1176.30000111.2K120 H127K120-S124 WeakPolarHBondContact O-CB 3.29Å; K120-S124 PolarHBondContact O-N 2.9Å; S124-H127 PolarHBondContact O-N 2.95Å
125L62.3Low67.9Low101 Ų10188 Ų8853%0.52946%0.464SS..Hα-helixtrans-69.3-32.6174.3-75160.5000112.9F117 L121 H127 F128F117-L125 HydrophobicContact CE1-CD2 4.46Å; F117-L125 HydrophobicContact CE1-CG 4.43Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 WeakPolarHBondContact O-CD1 3.1Å; L121-L125 WeakPolarHBondContact O-CG 3.39Å; L121-L125 PolarHBondContact O-N 3.31Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 2.88Å; L125-F128 HydrophobicContact CD2-CD2 4.27Å; L125-F128 HydrophobicContact CD2-CE2 4.31Å; L125-F128 PolarHBondContact O-N 3.08Å
126A61.5Low67.9Low60 Ų6092.2 Ų92.250%0.49649%0.494SS..Hα-helixtrans-69.2-27.2176.100000112.9K122 S123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.23Å; K122-A126 WeakPolarHBondContact O-CB 3.48Å; K122-A126 PolarHBondContact O-N 3.06Å; S123-A126 PolarHBondContact O-N 3.01Å; A126-F128 PolarHBondContact O-N 3.27Å; A126-L129 PolarHBondContact O-N 3.46Å; A126-L129 VanDerWaalsContact O-O 3.06Å
127H64.8Low68Low120 Ų12097.2 Ų97.256%0.55652%0.52SS*.THydrogen-bonded Turntrans-64.4-22.1174.7-103.5-72.9000113.6S123 S124 L125 L129S123-H127 PolarHBondContact O-N 2.91Å; S123-H127 VanDerWaalsContact O-N 3.1Å; S124-H127 PolarHBondContact O-N 2.95Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 2.88Å; H127-L129 PolarHBondContact O-N 3.16Å
128F62Low68.1Low30 Ų3095.9 Ų95.913%0.13252%0.516CS..THydrogen-bonded Turntrans-68.9-10.9173-68.1-61000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.47Å; L125-F128 HydrophobicContact CD2-CD2 4.27Å; L125-F128 HydrophobicContact CD2-CE2 4.31Å; L125-F128 PolarHBondContact O-N 3.08Å; A126-F128 PolarHBondContact O-N 3.27Å; F128-L141 WeakPolarHBondContact O-CD2 3.41Å; F128-E145 HydrophobicContact CD1-CB 4.18Å; F128-E145 HydrophobicContact CD1-CG 3.81Å; F128-T146 HydrophobicContact CD1-CG2 4.19Å; F128-T146 HydrophobicContact CE1-CG2 3.98Å; F128-T146 HydrophobicContact CZ-CG2 4.5Å; F128-L149 HydrophobicContact CE1-CD1 4.37Å
129L61Low68.3Low59 Ų5990.3 Ų90.331%0.30951%0.505SS..SBendtrans-129.1108.1-179.1-146.877.2000111.8A126 H127 Q131 I138 I142A126-L129 PolarHBondContact O-N 3.46Å; A126-L129 VanDerWaalsContact O-O 3.06Å; H127-L129 PolarHBondContact O-N 3.16Å; L129-Q131 PolarHBondContact O-N 3.49Å; L129-I138 HydrophobicContact CD1-CB 4.31Å; L129-I138 HydrophobicContact CD1-CG1 4.25Å; L129-I138 HydrophobicContact CD1-CG2 3.73Å; L129-I138 HydrophobicContact CD2-CD1 4.2Å; L129-I138 HydrophobicContact CD2-CG1 4.32Å; L129-I138 HydrophobicContact CD2-CG2 4.37Å; L129-I142 HydrophobicContact CD1-CD1 4.17Å; L129-I142 HydrophobicContact CD1-CG1 3.88Å
130P60.9Low68.9Low67 Ų6790.3 Ų90.344%0.43551%0.507SS..  trans-63137.3171.519.8-22.1000109.8G132 T133 L141P130-G132 PolarHBondContact O-N 3.41Å; P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.77Å; P130-L141 HydrophobicContact CG-CD1 3.75Å; P130-L141 HydrophobicContact CG-CD2 4.01Å
131Q62Low69.7Low205 Ų20587.8 Ų87.896%0.95850%0.498SS*.THydrogen-bonded Turntrans-65.1129.1-177.8-63.7-167.9-1.100110.4L129L129-Q131 PolarHBondContact O-N 3.49Å
132G63.6Low70.6Confident82 Ų8286.2 Ų86.285%0.84549%0.489SS*.THydrogen-bonded Turntrans100.411.7175.500000116.1P130P130-G132 PolarHBondContact O-N 3.41Å
133T72.9Confident71.8Confident33 Ų3381.4 Ų81.420%0.20247%0.472CS..  trans-76.1138.6177.453.60000113.2P130 L141P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.77Å; T133-L141 HydrophobicContact CG2-CD1 3.97Å
134P76.8Confident72.7Confident79 Ų7983.1 Ų83.151%0.51348%0.475SS..  trans-60.2139.9175.4-18.129.1000112S136 L137P134-S136 PolarHBondContact O-N 3.06Å; P134-L137 HydrophobicContact CB-CD1 4.44Å; P134-L137 HydrophobicContact CG-CD1 4.04Å; P134-L137 PolarHBondContact O-N 2.82Å
135I77.2Confident73.7Confident149 Ų14986 Ų8676%0.76449%0.487SS*.THydrogen-bonded Turntrans-50.5-34.4-175.6-87.675.8000113.4I138I135-I138 HydrophobicContact CG1-CD1 4.32Å
136S80.9Confident74.7Confident111 Ų11183.5 Ų83.578%0.77648%0.476SS*.THydrogen-bonded Turntrans-70-30.6-177.9-1700000113.9P134P134-S136 PolarHBondContact O-N 3.06Å
137L80.4Confident75.8Confident105 Ų10584.7 Ų84.755%0.5547%0.473SS..THydrogen-bonded Turntrans-90-11-175.5-71.7161.4000113.4P134 M140 L141P134-L137 HydrophobicContact CB-CD1 4.44Å; P134-L137 HydrophobicContact CG-CD1 4.04Å; P134-L137 PolarHBondContact O-N 2.82Å; L137-M140 PolarHBondContact O-N 3.37Å; L137-L141 PolarHBondContact O-N 3.36Å; L137-L141 VanDerWaalsContact O-N 3.12Å
138I79.4Confident76.7Confident42 Ų4281.3 Ų81.322%0.21546%0.463CS..Hα-helixtrans-54.2-48.9-177.1-68.7177.2000112.5L129 I135 M140 L141 I142L129-I138 HydrophobicContact CD1-CB 4.31Å; L129-I138 HydrophobicContact CD1-CG1 4.25Å; L129-I138 HydrophobicContact CD1-CG2 3.73Å; L129-I138 HydrophobicContact CD2-CD1 4.2Å; L129-I138 HydrophobicContact CD2-CG1 4.32Å; L129-I138 HydrophobicContact CD2-CG2 4.37Å; I135-I138 HydrophobicContact CG1-CD1 4.32Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.17Å; I138-L141 PolarHBondContact O-N 3.49Å; I138-I142 HydrophobicContact CG2-CD1 3.72Å; I138-I142 WeakPolarHBondContact O-CG1 2.97Å; I138-I142 PolarHBondContact O-N 3.03Å
139P79.8Confident77.6Confident81 Ų8181.7 Ų81.753%0.52647%0.466SS..Hα-helixtrans-64.4-37.4-176.1-21.333.8000112.9I143P139-I143 WeakPolarHBondContact O-CG1 3.36Å; P139-I143 PolarHBondContact O-N 2.66Å
140M83.1Confident78.6Confident111 Ų11185.1 Ų85.155%0.54748%0.479SS..Hα-helixtrans-69.8-40.7179.4-173.563.6-16900111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.37Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.17Å; M140-I143 PolarHBondContact O-N 2.88Å; M140-I144 HydrophobicContact CE-CD1 3.9Å; M140-I144 HydrophobicContact CE-CG1 4.07Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 3.35Å; M140-I144 PolarHBondContact O-N 3.05Å; M140-I144 VanDerWaalsContact O-N 3.11Å
141L84.2Confident79.8Confident43 Ų4386.7 Ų86.723%0.22548%0.482CS..Hα-helixtrans-66.5-40.5-178.3-167150.4000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.41Å; P130-L141 HydrophobicContact CG-CD1 3.75Å; P130-L141 HydrophobicContact CG-CD2 4.01Å; T133-L141 HydrophobicContact CG2-CD1 3.97Å; L137-L141 PolarHBondContact O-N 3.36Å; L137-L141 VanDerWaalsContact O-N 3.12Å; I138-L141 PolarHBondContact O-N 3.49Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.35Å; L141-I144 PolarHBondContact O-N 2.85Å; L141-I144 VanDerWaalsContact O-N 3.16Å; L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 PolarHBondContact O-N 3Å
142I81.1Confident80.8Confident68 Ų6880.5 Ų80.535%0.34945%0.453SS..Hα-helixtrans-59.7-40.9176.4-65.2163.6000110.7L129 I138 E145 T146L129-I142 HydrophobicContact CD1-CD1 4.17Å; L129-I142 HydrophobicContact CD1-CG1 3.88Å; I138-I142 HydrophobicContact CG2-CD1 3.72Å; I138-I142 WeakPolarHBondContact O-CG1 2.97Å; I138-I142 PolarHBondContact O-N 3.03Å; I142-E145 PolarHBondContact O-N 3.09Å; I142-T146 HydrophobicContact CG2-CG2 4.37Å; I142-T146 WeakPolarHBondContact O-CB 3.2Å; I142-T146 VanDerWaalsContact O-CG2 3.25Å; I142-T146 WeakPolarHBondContact O-CG2 3.3Å; I142-T146 PolarHBondContact O-N 3.08Å; I142-T146 PolarHBondContact O-OG1 3.14Å
143I85.2Confident81.5Confident91 Ų9177 Ų7747%0.46742%0.416SS..Hα-helixtrans-64-44.1177.1-65.1166.6000110.6P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.36Å; P139-I143 PolarHBondContact O-N 2.66Å; M140-I143 PolarHBondContact O-N 2.88Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.35Å; I143-T146 WeakPolarHBondContact CA-OG1 3.03Å; I143-T146 PolarHBondContact O-OG1 3.02Å; I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 WeakPolarHBondContact O-CB 3.24Å; I143-I147 WeakPolarHBondContact O-CD1 3.33Å; I143-I147 VanDerWaalsContact O-CG1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.07Å; I143-I147 PolarHBondContact O-N 3.01Å
144I85.7Confident82Confident93 Ų9379.4 Ų79.448%0.47743%0.426SS..Hα-helixtrans-65.4-43.9179.3-64.3165.7000111M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.9Å; M140-I144 HydrophobicContact CE-CG1 4.07Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 3.35Å; M140-I144 PolarHBondContact O-N 3.05Å; M140-I144 VanDerWaalsContact O-N 3.11Å; L141-I144 PolarHBondContact O-N 2.85Å; L141-I144 VanDerWaalsContact O-N 3.16Å; I144-I147 PolarHBondContact O-N 3.48Å; I144-S148 WeakPolarHBondContact O-CB 3.42Å; I144-S148 PolarHBondContact O-N 2.9Å
145E83.8Confident82.4Confident77 Ų7777.6 Ų77.636%0.3642%0.417SS..Hα-helixtrans-67.8-39.6-178.2-165.159.8-149.500111.6F128 L141 I142 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.18Å; F128-E145 HydrophobicContact CD1-CG 3.81Å; L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 PolarHBondContact O-N 3Å; I142-E145 PolarHBondContact O-N 3.09Å; E145-I147 PolarHBondContact O-N 3.06Å; E145-S148 WeakPolarHBondContact O-CB 3.44Å; E145-S148 PolarHBondContact O-N 3.16Å; E145-L149 WeakPolarHBondContact O-CB 3.38Å; E145-L149 PolarHBondContact O-N 3.49Å
146T81.3Confident82.5Confident48 Ų4870.8 Ų70.829%0.29438%0.382SS..Hα-helixtrans-62.3-43173.351.80000111.6F128 I142 I143 L149 F150F128-T146 HydrophobicContact CD1-CG2 4.19Å; F128-T146 HydrophobicContact CE1-CG2 3.98Å; F128-T146 HydrophobicContact CZ-CG2 4.5Å; I142-T146 HydrophobicContact CG2-CG2 4.37Å; I142-T146 WeakPolarHBondContact O-CB 3.2Å; I142-T146 VanDerWaalsContact O-CG2 3.25Å; I142-T146 WeakPolarHBondContact O-CG2 3.3Å; I142-T146 PolarHBondContact O-N 3.08Å; I142-T146 PolarHBondContact O-OG1 3.14Å; I143-T146 WeakPolarHBondContact CA-OG1 3.03Å; I143-T146 PolarHBondContact O-OG1 3.02Å; T146-L149 PolarHBondContact O-N 3.22Å; T146-F150 WeakPolarHBondContact O-CD2 3.36Å; T146-F150 PolarHBondContact O-N 3.39Å
147I85.5Confident82.6Confident85 Ų8565.5 Ų65.544%0.43635%0.345SS..Hα-helixtrans-63.6-43.5174.8-67.9166.4000111.1I143 I144 E145 L149 F150 I151I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 WeakPolarHBondContact O-CB 3.24Å; I143-I147 WeakPolarHBondContact O-CD1 3.33Å; I143-I147 VanDerWaalsContact O-CG1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.07Å; I143-I147 PolarHBondContact O-N 3.01Å; I144-I147 PolarHBondContact O-N 3.48Å; E145-I147 PolarHBondContact O-N 3.06Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.42Å; I147-F150 PolarHBondContact O-N 2.99Å; I147-F150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.1Å; I147-I151 WeakPolarHBondContact O-CG1 3.31Å; I147-I151 PolarHBondContact O-N 3.04Å
148S82.9Confident82.9Confident48 Ų4863.4 Ų63.434%0.33634%0.337SS..Hα-helixtrans-56.8-46.1177.9-177.80000111.8I144 E145 F150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.42Å; I144-S148 PolarHBondContact O-N 2.9Å; E145-S148 WeakPolarHBondContact O-CB 3.44Å; E145-S148 PolarHBondContact O-N 3.16Å; S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.24Å; S148-I151 PolarHBondContact O-N 3.33Å; S148-Q152 PolarHBondContact O-N 3.14Å; S148-Q152 VanDerWaalsContact O-N 3.08Å
149L82.5Confident83.2Confident38 Ų3865.9 Ų65.920%0.19934%0.344CS..Hα-helixtrans-59.5-37.2177.7-174.1119.1000112.3W109 F128 E145 T146 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.14Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 WeakPolarHBondContact CZ2-O 3.45Å; W109-L149 PolarHBondContact NE1-O 3Å; W109-L149 VanDerWaalsContact NE1-O 3.15Å; F128-L149 HydrophobicContact CE1-CD1 4.37Å; E145-L149 WeakPolarHBondContact O-CB 3.38Å; E145-L149 PolarHBondContact O-N 3.49Å; T146-L149 PolarHBondContact O-N 3.22Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.42Å; L149-P153 VanDerWaalsContact O-CD 3.3Å; L149-P153 WeakPolarHBondContact O-CD 3.44Å
150F82.3Confident83.3Confident132 Ų13262.1 Ų62.158%0.57932%0.319SS*.Hα-helixtrans-78.5-34.5176.1-79.7-70000113.9W109 T146 I147 S148 P153W109-F150 AromaticContact CH2-CD1 3.68Å; W109-F150 HydrophobicContact CH2-CD1 3.68Å; W109-F150 AromaticContact CH2-CE1 3.59Å; W109-F150 HydrophobicContact CH2-CE1 3.59Å; W109-F150 HydrophobicContact CH2-CZ 4.38Å; W109-F150 HydrophobicContact CZ2-CD1 4.22Å; W109-F150 HydrophobicContact CZ2-CE1 4.46Å; W109-F150 HydrophobicContact CZ3-CD1 4.45Å; W109-F150 HydrophobicContact CZ3-CE1 4.29Å; T146-F150 WeakPolarHBondContact O-CD2 3.36Å; T146-F150 PolarHBondContact O-N 3.39Å; I147-F150 PolarHBondContact O-N 2.99Å; I147-F150 VanDerWaalsContact O-N 3.16Å; S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.24Å; F150-P153 VanDerWaalsContact O-CD 3.32Å; F150-P153 WeakPolarHBondContact O-CD 3.29Å; F150-P153 WeakPolarHBondContact O-CG 3.21Å
151I85.1Confident83.3Confident100 Ų10057.5 Ų57.551%0.51330%0.297SS..Hα-helixtrans-71.2-33.2-179.5-70.5174.8000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.1Å; I147-I151 WeakPolarHBondContact O-CG1 3.31Å; I147-I151 PolarHBondContact O-N 3.04Å; S148-I151 PolarHBondContact O-N 3.33Å; I151-M154 WeakPolarHBondContact O-CB 3.43Å; I151-M154 PolarHBondContact O-N 3.48Å; I151-M154 VanDerWaalsContact O-N 3.15Å; I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.37Å; I151-A155 PolarHBondContact O-N 3.48Å
152Q82.6Confident83.3Confident74 Ų7457.4 Ų57.435%0.34630%0.303SS..Hα-helixtrans-52-53-177.5-109.4174.3-20.600115.9S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.14Å; S148-Q152 VanDerWaalsContact O-N 3.08Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 3.28Å; Q152-A155 PolarHBondContact O-N 3.39Å; Q152-L156 WeakPolarHBondContact O-CB 3.48Å; Q152-L156 PolarHBondContact O-N 3.2Å; Q152-Y221 WeakPolarHBondContact CB-OH 3.25Å; Q152-Y221 VanDerWaalsContact CD-CZ 3.4Å; Q152-Y221 HydrophobicContact CG-CE1 4.39Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.46Å; Q152-Y221 PolarHBondContact NE2-OH 3.22Å; Q152-Y221 PolarHBondContact OE1-OH 3.45Å
153P78.6Confident83.6Confident10 Ų1057.4 Ų57.47%0.06530%0.303CS..Hα-helixtrans-64.5-34.4178.224.1-34.7000112.3W109 L149 F150 A157W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.35Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.84Å; W109-P153 HydrophobicContact CE3-CG 4.44Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.76Å; L149-P153 VanDerWaalsContact O-CD 3.3Å; L149-P153 WeakPolarHBondContact O-CD 3.44Å; F150-P153 VanDerWaalsContact O-CD 3.32Å; F150-P153 WeakPolarHBondContact O-CD 3.29Å; F150-P153 WeakPolarHBondContact O-CG 3.21Å; P153-A157 PolarHBondContact O-N 3.15Å
154M83.8Confident83.6Confident83 Ų8353.8 Ų53.841%0.40929%0.285SS..Hα-helixtrans-66.2-46.9175.2-170.967.3-173.200111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.17Å; L102-M154 HydrophobicContact CD1-CE 3.94Å; L102-M154 HydrophobicContact CD1-SD 3.38Å; L102-M154 WeakPolarHBondContact CD1-SD 3.26Å; L102-M154 HydrophobicContact CD2-CE 4.4Å; L102-M154 HydrophobicContact CD2-SD 3.9Å; L102-M154 HydrophobicContact CG-SD 4.03Å; I151-M154 WeakPolarHBondContact O-CB 3.43Å; I151-M154 PolarHBondContact O-N 3.48Å; I151-M154 VanDerWaalsContact O-N 3.15Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 3.28Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.18Å; M154-A157 PolarHBondContact O-N 2.87Å; M154-V158 HydrophobicContact CE-CG2 4.07Å; M154-V158 HydrophobicContact CG-CG2 4.47Å; M154-V158 VanDerWaalsContact O-CG2 3.32Å; M154-V158 WeakPolarHBondContact O-CG2 3.35Å; M154-V158 PolarHBondContact O-N 3.36Å
155A84.8Confident83.6Confident40 Ų4051.2 Ų51.233%0.33127%0.274SS..Hα-helixtrans-61.5-36.8178.700000111.9I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.37Å; I151-A155 PolarHBondContact O-N 3.48Å; Q152-A155 PolarHBondContact O-N 3.39Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.2Å; A155-R159 PolarHBondContact O-N 2.93Å
156L79.7Confident83.7Confident6 Ų650.3 Ų50.33%0.03128%0.279CS..Hα-helixtrans-62.1-47.8175.3-16379.9000112Q152 M154 R159 L160 F214 L217 V218Q152-L156 WeakPolarHBondContact O-CB 3.48Å; Q152-L156 PolarHBondContact O-N 3.2Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.18Å; L156-R159 PolarHBondContact O-N 2.88Å; L156-L160 PolarHBondContact O-N 3.43Å; L156-F214 HydrophobicContact CB-CE2 4.49Å; L156-F214 HydrophobicContact CD1-CD2 4.25Å; L156-F214 HydrophobicContact CD2-CD1 4.15Å; L156-F214 HydrophobicContact CD2-CD2 3.29Å; L156-F214 HydrophobicContact CD2-CE1 4.08Å; L156-F214 HydrophobicContact CD2-CE2 3.2Å; L156-F214 HydrophobicContact CD2-CG 3.77Å; L156-F214 HydrophobicContact CD2-CZ 3.62Å; L156-F214 HydrophobicContact CG-CD2 3.41Å; L156-F214 VanDerWaalsContact CG-CD2 3.41Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.5Å; L156-L217 HydrophobicContact CD1-CB 4.06Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.32Å; L156-V218 HydrophobicContact CD2-CG2 4.38Å
157A82.5Confident84Confident0 Ų048.4 Ų48.40%027%0.269CS..Hα-helixtrans-66.2-43.2-179.900000112L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.43Å; N101-A157 HydrophobicContact CB-CB 3.83Å; N101-A157 PolarHBondContact ND2-O 3.43Å; L102-A157 HydrophobicContact CD1-CB 3.49Å; L102-A157 VanDerWaalsContact CD1-CB 3.49Å; A105-A157 HydrophobicContact CB-CB 4.22Å; P153-A157 PolarHBondContact O-N 3.15Å; M154-A157 PolarHBondContact O-N 2.87Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 3.32Å; A157-L160 PolarHBondContact O-N 3.44Å; A157-T161 PolarHBondContact O-N 2.72Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.31Å
158V86.4Confident84.1Confident61 Ų6145.9 Ų45.937%0.3726%0.255SS..Hα-helixtrans-63.7-39.7176.61730000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 HydrophobicContact CE-CG2 4.07Å; M154-V158 HydrophobicContact CG-CG2 4.47Å; M154-V158 VanDerWaalsContact O-CG2 3.32Å; M154-V158 WeakPolarHBondContact O-CG2 3.35Å; M154-V158 PolarHBondContact O-N 3.36Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.43Å; V158-T161 WeakPolarHBondContact CA-OG1 3.48Å; V158-T161 PolarHBondContact O-N 2.92Å; V158-T161 PolarHBondContact O-OG1 2.92Å; V158-A162 WeakPolarHBondContact O-CB 3.49Å; V158-A162 PolarHBondContact O-N 3.49Å
159R86.8Confident84.3Confident95 Ų9545.5 Ų45.536%0.35825%0.249SC..Hα-helixtrans-59.1-41.4176.7-169.5-173.3-58149.23.9111.5A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.2Å; A155-R159 PolarHBondContact O-N 2.93Å; L156-R159 PolarHBondContact O-N 2.88Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 3.32Å; R159-N163 WeakPolarHBondContact O-CB 3.35Å; R159-N163 VanDerWaalsContact O-CG 3.24Å; R159-N163 PolarHBondContact O-N 3.01Å; R159-N163 PolarHBondContact O-ND2 3.12Å; R159-Q210 VanDerWaalsContact C-NE2 3.32Å
160L80.9Confident84.7Confident1 Ų147.6 Ų47.61%0.00526%0.26CS..Hα-helixtrans-71.2-42.4-178.3-159.7132.8000111.5I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.59Å; T95-L160 HydrophobicContact CG2-CD2 3.94Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.29Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.12Å; L156-L160 PolarHBondContact O-N 3.43Å; A157-L160 PolarHBondContact O-N 3.44Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.43Å; L160-I164 HydrophobicContact CD2-CD1 3.86Å; L160-I164 HydrophobicContact CG-CD1 4.25Å; L160-I164 WeakPolarHBondContact O-CD1 3.34Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.48Å; L160-Q210 HydrophobicContact CB-CG 4.19Å; L160-Q210 HydrophobicContact CD1-CG 3.63Å; L160-Q210 HydrophobicContact CG-CG 3.77Å; L160-F214 HydrophobicContact CD1-CD2 4.13Å
161T84.4Confident85Confident14 Ų1442.7 Ų42.79%0.08624%0.239CC..Hα-helixtrans-63.4-49.1174.548.10000111.8T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.46Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.96Å; N101-T161 HydrophobicContact CB-CG2 4.39Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.19Å; N101-T161 PolarHBondContact ND2-N 2.84Å; A157-T161 PolarHBondContact O-N 2.72Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.31Å; V158-T161 WeakPolarHBondContact CA-OG1 3.48Å; V158-T161 PolarHBondContact O-N 2.92Å; V158-T161 PolarHBondContact O-OG1 2.92Å; T161-N163 PolarHBondContact O-N 2.87Å; T161-I164 PolarHBondContact O-N 3.31Å; T161-T165 WeakPolarHBondContact O-CB 3.42Å; T161-T165 VanDerWaalsContact O-CG2 3.29Å; T161-T165 WeakPolarHBondContact O-CG2 3.44Å; T161-T165 PolarHBondContact O-N 3.2Å; T161-T165 PolarHBondContact O-OG1 3.02Å
162A84.1Confident85.2Confident42 Ų4241.6 Ų41.635%0.34723%0.232SC..Hα-helixtrans-63.9-42.1-171.200000111.7V158 I164 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.49Å; V158-A162 PolarHBondContact O-N 3.49Å; A162-I164 PolarHBondContact O-N 3.48Å; A162-T165 PolarHBondContact O-OG1 2.84Å; A162-A166 WeakPolarHBondContact O-CB 3.03Å; A162-A166 PolarHBondContact O-N 3.08Å
163N87Confident85.5Confident68 Ų6842.7 Ų42.736%0.36424%0.239SC..Hα-helixtrans-65.9-39.8-179.4-70.8-7.5000111.9R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.35Å; R159-N163 VanDerWaalsContact O-CG 3.24Å; R159-N163 PolarHBondContact O-N 3.01Å; R159-N163 PolarHBondContact O-ND2 3.12Å; T161-N163 PolarHBondContact O-N 2.87Å; N163-G167 PolarHBondContact O-N 2.69Å; N163-G167 VanDerWaalsContact O-N 3.14Å; N163-V206 HydrophobicContact CB-CG1 4.07Å
164I83.9Confident86.1Confident15 Ų1543.7 Ų43.78%0.07724%0.244CC..Hα-helixtrans-78.2-41.2-178-59.1172.1000110.7N83 T93 T95 T96 L160 T161 A162 H168N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.39Å; T93-I164 HydrophobicContact CG2-CG2 4.28Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.39Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; L160-I164 HydrophobicContact CD2-CD1 3.86Å; L160-I164 HydrophobicContact CG-CD1 4.25Å; L160-I164 WeakPolarHBondContact O-CD1 3.34Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.48Å; T161-I164 PolarHBondContact O-N 3.31Å; A162-I164 PolarHBondContact O-N 3.48Å; I164-H168 PolarHBondContact O-CD2 2.76Å; I164-H168 PolarHBondContact O-N 3.41Å; I164-H168 VanDerWaalsContact O-N 3.12Å
165T86.8Confident86.4Confident39 Ų3940.8 Ų40.824%0.23924%0.236CC..Hα-helixtrans-68.1-45.7177.957.10000112F9 T96 T161 A162 G167 L169F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.09Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å; T161-T165 WeakPolarHBondContact O-CB 3.42Å; T161-T165 VanDerWaalsContact O-CG2 3.29Å; T161-T165 WeakPolarHBondContact O-CG2 3.44Å; T161-T165 PolarHBondContact O-N 3.2Å; T161-T165 PolarHBondContact O-OG1 3.02Å; A162-T165 PolarHBondContact O-OG1 2.84Å; T165-G167 VanDerWaalsContact C-N 3.33Å; T165-G167 PolarHBondContact O-N 2.85Å; T165-L169 WeakPolarHBondContact O-CB 3.46Å; T165-L169 WeakPolarHBondContact O-CG 3.05Å; T165-L169 PolarHBondContact O-N 3.45Å
166A86.8Confident86.6Confident57 Ų5740.5 Ų40.547%0.47124%0.236SC..Hα-helixtrans-64.6-39.9179.400000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.03Å; A162-A166 PolarHBondContact O-N 3.08Å; A166-L169 PolarHBondContact O-N 3.16Å; A166-L170 VanDerWaalsContact O-CB 3.24Å; A166-L170 WeakPolarHBondContact O-CB 3.36Å; A166-L170 PolarHBondContact O-N 3.43Å
167G87.4Confident87Confident8 Ų842.2 Ų42.28%0.08225%0.252CS..Hα-helixtrans-59.1-57.217500000112.5N163 T165 L169 L170 M171 E203N163-G167 PolarHBondContact O-N 2.69Å; N163-G167 VanDerWaalsContact O-N 3.14Å; T165-G167 VanDerWaalsContact C-N 3.33Å; T165-G167 PolarHBondContact O-N 2.85Å; G167-L169 VanDerWaalsContact C-N 3.29Å; G167-L169 PolarHBondContact O-N 3.19Å; G167-L170 WeakPolarHBondContact O-CA 3.14Å; G167-L170 WeakPolarHBondContact O-CB 3.45Å; G167-L170 PolarHBondContact O-N 3.36Å; G167-M171 PolarHBondContact O-N 2.92Å; G167-E203 VanDerWaalsContact CA-CD 3.47Å; G167-E203 WeakPolarHBondContact CA-OE1 3.29Å
168H87.1Confident87.4Confident32 Ų3243.3 Ų43.315%0.14826%0.258CS..Hα-helixtrans-56.8-39.8178.1-88.6-86.2000113.6F9 G86 I164 H172F9-H168 HydrophobicContact CE1-CB 4.19Å; F9-H168 HydrophobicContact CZ-CB 3.91Å; G86-H168 PolarHBondContact O-CE1 3.21Å; G86-H168 PolarHBondContact O-NE2 3.17Å; G86-H168 VanDerWaalsContact O-NE2 3.13Å; I164-H168 PolarHBondContact O-CD2 2.76Å; I164-H168 PolarHBondContact O-N 3.41Å; I164-H168 VanDerWaalsContact O-N 3.12Å; H168-H172 WeakPolarHBondContact O-CB 3.5Å; H168-H172 PolarHBondContact O-N 3.38Å
169L87.4Confident87.5Confident41 Ų4146.9 Ų46.922%0.21527%0.273CS..Hα-helixtrans-63.6-43.6174.2-77.7170.6000111.7L5 F6 F9 T165 A166 G167 H172 L173L5-L169 HydrophobicContact CB-CD2 4.33Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.04Å; F6-L169 HydrophobicContact CE1-CD2 4.08Å; F6-L169 HydrophobicContact CZ-CD2 4.43Å; F9-L169 HydrophobicContact CE2-CD1 4.37Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.74Å; F9-L169 HydrophobicContact CZ-CD2 4.37Å; F9-L169 HydrophobicContact CZ-CG 3.95Å; T165-L169 WeakPolarHBondContact O-CB 3.46Å; T165-L169 WeakPolarHBondContact O-CG 3.05Å; T165-L169 PolarHBondContact O-N 3.45Å; A166-L169 PolarHBondContact O-N 3.16Å; G167-L169 VanDerWaalsContact C-N 3.29Å; G167-L169 PolarHBondContact O-N 3.19Å; L169-H172 PolarHBondContact O-N 2.93Å; L169-L173 WeakPolarHBondContact O-CB 3.3Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.5Å; L169-L173 PolarHBondContact O-N 2.99Å
170L89.3Confident87.7Confident81 Ų8146.2 Ų46.242%0.42428%0.279SS..Hα-helixtrans-65.4-43.1-180-173.658.8000111.6A166 G167 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.24Å; A166-L170 WeakPolarHBondContact O-CB 3.36Å; A166-L170 PolarHBondContact O-N 3.43Å; G167-L170 WeakPolarHBondContact O-CA 3.14Å; G167-L170 WeakPolarHBondContact O-CB 3.45Å; G167-L170 PolarHBondContact O-N 3.36Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.5Å; L170-L173 PolarHBondContact O-N 3.5Å; L170-I174 HydrophobicContact CD1-CD1 3.98Å; L170-I174 HydrophobicContact CD1-CG1 4.38Å; L170-I174 HydrophobicContact CG-CD1 4.03Å; L170-I174 WeakPolarHBondContact O-CG1 3.33Å; L170-I174 PolarHBondContact O-N 3.42Å; L170-L199 HydrophobicContact CB-CD2 4.44Å; L170-L199 HydrophobicContact CD2-CD1 3.47Å; L170-L199 VanDerWaalsContact CD2-CD1 3.47Å; L170-L199 HydrophobicContact CD2-CD2 4.28Å; L170-L199 HydrophobicContact CD2-CG 4.39Å; L170-L199 HydrophobicContact CG-CD1 3.78Å; L170-L199 HydrophobicContact CG-CD2 4.2Å
171M90.1Very high88.2Confident30 Ų3048.4 Ų48.415%0.14829%0.29CS..Hα-helixtrans-59.4-42.7172.1-73.2-168.5-62.700112L87 G167 G175 L196 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.44Å; G167-M171 PolarHBondContact O-N 2.92Å; M171-G175 PolarHBondContact O-N 3.21Å; M171-L196 HydrophobicContact CB-CD1 4.37Å; M171-L196 HydrophobicContact CG-CD1 4.47Å; M171-L199 HydrophobicContact CB-CD2 4.41Å; M171-L199 HydrophobicContact CG-CD2 3.34Å; M171-T200 HydrophobicContact SD-CG2 3.72Å; M171-E203 WeakPolarHBondContact CE-OE2 3.47Å; M171-E203 WeakPolarHBondContact CG-OE1 3.5Å
172H88.7Confident88.4Confident77 Ų7753.5 Ų53.536%0.35632%0.315SS..Hα-helixtrans-67.7-39.6179.3-165.2-57.4000112.2E3 L5 H168 L169 L170 G176E3-H172 IonicContact OE2-CE1 3.98Å; L5-H172 VanDerWaalsContact CD2-CE1 3.45Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.44Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.28Å; H168-H172 WeakPolarHBondContact O-CB 3.5Å; H168-H172 PolarHBondContact O-N 3.38Å; L169-H172 PolarHBondContact O-N 2.93Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.5Å; H172-G176 PolarHBondContact O-N 2.96Å
173L89.7Confident88.7Confident96 Ų9658.1 Ų58.150%0.50333%0.333SS..Hα-helixtrans-66.5-45.5178-73.5171.9000111.8L5 L169 L170 G176 A177L5-L173 HydrophobicContact CD1-CD2 3.84Å; L5-L173 HydrophobicContact CD2-CD2 4.46Å; L169-L173 WeakPolarHBondContact O-CB 3.3Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.5Å; L169-L173 PolarHBondContact O-N 2.99Å; L170-L173 PolarHBondContact O-N 3.5Å; L173-G176 PolarHBondContact O-N 3.42Å; L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 3.39Å
174I90.9Very high88.8Confident31 Ų3161 Ų6116%0.15935%0.347CS..Hα-helixtrans-68.2-40177-64.1169.8000110.1L170 G176 A177 T178 I195 L196 L199L170-I174 HydrophobicContact CD1-CD1 3.98Å; L170-I174 HydrophobicContact CD1-CG1 4.38Å; L170-I174 HydrophobicContact CG-CD1 4.03Å; L170-I174 WeakPolarHBondContact O-CG1 3.33Å; L170-I174 PolarHBondContact O-N 3.42Å; I174-G176 PolarHBondContact O-N 3.22Å; I174-A177 PolarHBondContact O-N 3.31Å; I174-T178 HydrophobicContact CG2-CG2 4.27Å; I174-T178 VanDerWaalsContact O-CG2 3.23Å; I174-T178 WeakPolarHBondContact O-CG2 3.32Å; I174-T178 PolarHBondContact O-N 2.93Å; I174-I195 HydrophobicContact CD1-CG2 4.42Å; I174-L196 HydrophobicContact CB-CD1 4.3Å; I174-L196 HydrophobicContact CG2-CB 3.99Å; I174-L196 HydrophobicContact CG2-CD1 4.16Å; I174-L199 HydrophobicContact CD1-CD1 3.88Å
175G89.5Confident89.1Confident23 Ų2362 Ų6224%0.23736%0.356CS..Hα-helixtrans-57-48.5173.300000112.2M171 A177 T178 M179M171-G175 PolarHBondContact O-N 3.21Å; G175-A177 PolarHBondContact O-N 3.33Å; G175-T178 PolarHBondContact O-N 3.46Å; G175-T178 PolarHBondContact O-OG1 3.28Å; G175-M179 PolarHBondContact O-N 2.92Å; G175-M179 VanDerWaalsContact O-N 3.11Å
176G88.8Confident89.1Confident33 Ų3364.1 Ų64.134%0.3437%0.371SS..Hα-helixtrans-60.8-42.7174.600000112.8H172 L173 I174 T178 M179 V180H172-G176 PolarHBondContact O-N 2.96Å; L173-G176 PolarHBondContact O-N 3.42Å; I174-G176 PolarHBondContact O-N 3.22Å; G176-T178 PolarHBondContact O-N 3Å; G176-M179 PolarHBondContact O-N 3.37Å; G176-V180 WeakPolarHBondContact O-CG2 3.42Å; G176-V180 PolarHBondContact O-N 3Å; G176-V180 VanDerWaalsContact O-N 3.14Å
177A88.6Confident89.3Confident43 Ų4365.7 Ų65.736%0.35538%0.376SS..Hα-helixtrans-61.5-43.8175.600000112.2L173 I174 G175 M179 V180 L181L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 3.39Å; I174-A177 PolarHBondContact O-N 3.31Å; G175-A177 PolarHBondContact O-N 3.33Å; A177-M179 VanDerWaalsContact C-N 3.28Å; A177-M179 PolarHBondContact O-N 3.02Å; A177-V180 PolarHBondContact O-N 3.35Å; A177-L181 WeakPolarHBondContact O-CB 3.28Å; A177-L181 VanDerWaalsContact O-CD1 3.26Å; A177-L181 WeakPolarHBondContact O-CD1 3.2Å; A177-L181 PolarHBondContact O-N 3.34Å
178T90.5Very high89.4Confident22 Ų2268 Ų6814%0.13539%0.388CS..Hα-helixtrans-60.5-38.9177.462.20000111.7I174 G175 G176 L181 M182 T192I174-T178 HydrophobicContact CG2-CG2 4.27Å; I174-T178 VanDerWaalsContact O-CG2 3.23Å; I174-T178 WeakPolarHBondContact O-CG2 3.32Å; I174-T178 PolarHBondContact O-N 2.93Å; G175-T178 PolarHBondContact O-N 3.46Å; G175-T178 PolarHBondContact O-OG1 3.28Å; G176-T178 PolarHBondContact O-N 3Å; T178-L181 PolarHBondContact O-N 2.97Å; T178-M182 WeakPolarHBondContact O-CB 3.45Å; T178-M182 PolarHBondContact O-N 3.45Å; T178-T192 WeakPolarHBondContact CG2-OG1 3.35Å
179M89.7Confident89.7Confident137 Ų13766.7 Ų66.768%0.67538%0.383SS*.Hα-helixtrans-67.2-41-179.2-158.2-92.1-170.300111.6G175 G176 A177G175-M179 PolarHBondContact O-N 2.92Å; G175-M179 VanDerWaalsContact O-N 3.11Å; G176-M179 PolarHBondContact O-N 3.37Å; A177-M179 VanDerWaalsContact C-N 3.28Å; A177-M179 PolarHBondContact O-N 3.02Å
180V90.1Very high89.8Confident81 Ų8168.5 Ų68.549%0.49140%0.396SS..Hα-helixtrans-68.7-44.8173.9176.40000111.5G176 A177 M182 N183 I184G176-V180 WeakPolarHBondContact O-CG2 3.42Å; G176-V180 PolarHBondContact O-N 3Å; G176-V180 VanDerWaalsContact O-N 3.14Å; A177-V180 PolarHBondContact O-N 3.35Å; V180-M182 VanDerWaalsContact C-N 3.27Å; V180-M182 PolarHBondContact O-N 3.13Å; V180-N183 PolarHBondContact O-N 3.02Å; V180-I184 HydrophobicContact CG1-CD1 3.97Å; V180-I184 PolarHBondContact O-N 3.23Å
181L90.8Very high90Very high47 Ų4769.4 Ų69.425%0.24640%0.4CS..Hα-helixtrans-64.4-31.7-179.7-96.268.3000112.4A177 T178 N183 I184 S185 A189 T192A177-L181 WeakPolarHBondContact O-CB 3.28Å; A177-L181 VanDerWaalsContact O-CD1 3.26Å; A177-L181 WeakPolarHBondContact O-CD1 3.2Å; A177-L181 PolarHBondContact O-N 3.34Å; T178-L181 PolarHBondContact O-N 2.97Å; L181-N183 PolarHBondContact O-N 3.47Å; L181-I184 PolarHBondContact O-N 2.94Å; L181-I184 VanDerWaalsContact O-N 3.07Å; L181-S185 CarbonylContact O-C 3.53Å; L181-S185 PolarHBondContact O-N 3.3Å; L181-A189 HydrophobicContact CB-CB 4.13Å; L181-T192 HydrophobicContact CD2-CG2 3.85Å
182M89.9Confident90.1Very high121 Ų12169.4 Ų69.460%0.59640%0.402SS*.Hα-helixtrans-56.2-35.3176.5-159.872.8173.400112T178 V180 A189T178-M182 WeakPolarHBondContact O-CB 3.45Å; T178-M182 PolarHBondContact O-N 3.45Å; V180-M182 VanDerWaalsContact C-N 3.27Å; V180-M182 PolarHBondContact O-N 3.13Å; M182-A189 HydrophobicContact CB-CB 4.38Å; M182-A189 HydrophobicContact SD-CB 3.86Å
183N88.8Confident90.3Very high138 Ų13871.5 Ų71.574%0.73841%0.41SS*.Hα-helixtrans-81.4-25179-67.4-17.8000113.3V180 L181V180-N183 PolarHBondContact O-N 3.02Å; L181-N183 PolarHBondContact O-N 3.47Å
184I90.5Very high90.5Very high128 Ų12872.4 Ų72.466%0.65641%0.414SS*.Hα-helixtrans-92.2-53.6-175.5-60.1171.9000111.3V180 L181V180-I184 HydrophobicContact CG1-CD1 3.97Å; V180-I184 PolarHBondContact O-N 3.23Å; L181-I184 PolarHBondContact O-N 2.94Å; L181-I184 VanDerWaalsContact O-N 3.07Å
185S90Very high90.7Very high38 Ų3874.9 Ų74.927%0.26643%0.427SS..  trans-151.8109.1-179.157.70000112L181 T188 A189L181-S185 CarbonylContact O-C 3.53Å; L181-S185 PolarHBondContact O-N 3.3Å; S185-T188 PolarHBondContact O-N 3.41Å; S185-T188 PolarHBondContact O-OG1 3.46Å; S185-T188 PolarHBondContact OG-OG1 2.94Å; S185-A189 PolarHBondContact O-N 3.27Å
186P87.4Confident90.9Very high83 Ų8375.4 Ų75.454%0.53942%0.424SS..Hα-helixtrans-58.7-33.6-1779.8-16.7000115.5T188 A189 T190P186-T188 VanDerWaalsContact C-N 3.33Å; P186-T188 PolarHBondContact O-N 3.2Å; P186-A189 WeakPolarHBondContact O-CB 3.16Å; P186-A189 PolarHBondContact O-N 3.03Å; P186-T190 PolarHBondContact O-N 3.4Å; P186-T190 VanDerWaalsContact O-N 3.17Å
187P91Very high91.1Very high90 Ų9078.6 Ų78.658%0.58443%0.433SS*.Hα-helixtrans-67.3-29178.6-2132.6000114.4T190P187-T190 PolarHBondContact O-OG1 2.98Å
188T89.4Confident91.3Very high56 Ų5682.5 Ų82.534%0.34445%0.447SS..Hα-helixtrans-82.9-30.1177.266.30000111.2S185 P186 T190 I191 T192S185-T188 PolarHBondContact O-N 3.41Å; S185-T188 PolarHBondContact O-OG1 3.46Å; S185-T188 PolarHBondContact OG-OG1 2.94Å; P186-T188 VanDerWaalsContact C-N 3.33Å; P186-T188 PolarHBondContact O-N 3.2Å; T188-T190 VanDerWaalsContact C-N 3.35Å; T188-I191 PolarHBondContact O-N 3.41Å; T188-T192 PolarHBondContact O-N 3.4Å; T188-T192 VanDerWaalsContact O-N 3.13Å; T188-T192 PolarHBondContact O-OG1 2.92Å
189A92.4Very high91.4Very high4 Ų482.6 Ų82.63%0.03345%0.447CS..Hα-helixtrans-62-39.7172.700000112.1L181 M182 S185 P186 I191 T192 F193L181-A189 HydrophobicContact CB-CB 4.13Å; M182-A189 HydrophobicContact CB-CB 4.38Å; M182-A189 HydrophobicContact SD-CB 3.86Å; S185-A189 PolarHBondContact O-N 3.27Å; P186-A189 WeakPolarHBondContact O-CB 3.16Å; P186-A189 PolarHBondContact O-N 3.03Å; A189-I191 PolarHBondContact O-N 3.26Å; A189-T192 WeakPolarHBondContact CA-OG1 2.87Å; A189-T192 PolarHBondContact O-N 3.41Å; A189-T192 PolarHBondContact O-OG1 2.82Å; A189-F193 WeakPolarHBondContact O-CB 3.26Å; A189-F193 PolarHBondContact O-N 3.33Å
190T90.6Very high91.5Very high80 Ų8079 Ų7949%0.49143%0.432SS..Hα-helixtrans-65.6-38.1177.355.90000112.5P186 P187 T188 F193 I194P186-T190 PolarHBondContact O-N 3.4Å; P186-T190 VanDerWaalsContact O-N 3.17Å; P187-T190 PolarHBondContact O-OG1 2.98Å; T188-T190 VanDerWaalsContact C-N 3.35Å; T190-F193 PolarHBondContact O-N 3.38Å; T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 3.44Å
191I92.9Very high91.6Very high100 Ų10079.3 Ų79.351%0.51343%0.434SS..Hα-helixtrans-63-47.9175.7-63.1167.9000110.4T188 A189 F193 I194 I195T188-I191 PolarHBondContact O-N 3.41Å; A189-I191 PolarHBondContact O-N 3.26Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.87Å; I191-I194 PolarHBondContact O-N 3.22Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.31Å; I191-I195 PolarHBondContact O-N 3.48Å; I191-I195 VanDerWaalsContact O-N 3.11Å
192T92.2Very high91.6Very high30 Ų3082.1 Ų82.118%0.18445%0.449CS..Hα-helixtrans-66.4-31.9178.949.80000112.6T178 L181 T188 A189 I195 L196T178-T192 WeakPolarHBondContact CG2-OG1 3.35Å; L181-T192 HydrophobicContact CD2-CG2 3.85Å; T188-T192 PolarHBondContact O-N 3.4Å; T188-T192 VanDerWaalsContact O-N 3.13Å; T188-T192 PolarHBondContact O-OG1 2.92Å; A189-T192 WeakPolarHBondContact CA-OG1 2.87Å; A189-T192 PolarHBondContact O-N 3.41Å; A189-T192 PolarHBondContact O-OG1 2.82Å; T192-I195 PolarHBondContact O-N 3.37Å; T192-L196 PolarHBondContact O-N 3.14Å
193F92.8Very high91.7Very high121 Ų12177.2 Ų77.253%0.53143%0.425SS..Hα-helixtrans-65.6-40.3172-175.3-99.5000112.6A189 T190 I191 I195 L196 L197A189-F193 WeakPolarHBondContact O-CB 3.26Å; A189-F193 PolarHBondContact O-N 3.33Å; T190-F193 PolarHBondContact O-N 3.38Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.87Å; F193-I195 VanDerWaalsContact C-N 3.3Å; F193-I195 PolarHBondContact O-N 2.97Å; F193-L196 WeakPolarHBondContact O-CB 3.42Å; F193-L196 PolarHBondContact O-N 2.92Å; F193-L197 PolarHBondContact O-N 3.2Å
194I94.4Very high91.7Very high114 Ų11476 Ų7659%0.58541%0.413SS*.Hα-helixtrans-61.5-41.1173.8-67.8162.9000110.6T190 I191 L197 L198T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 3.44Å; I191-I194 PolarHBondContact O-N 3.22Å; I194-L197 PolarHBondContact O-N 2.91Å; I194-L198 PolarHBondContact O-N 2.9Å
195I94Very high91.7Very high84 Ų8472 Ų7243%0.43140%0.399SS..Hα-helixtrans-62.5-43.9176.2-65.3168000110.8I174 I191 T192 F193 L197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.42Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.31Å; I191-I195 PolarHBondContact O-N 3.48Å; I191-I195 VanDerWaalsContact O-N 3.11Å; T192-I195 PolarHBondContact O-N 3.37Å; F193-I195 VanDerWaalsContact C-N 3.3Å; F193-I195 PolarHBondContact O-N 2.97Å; I195-L197 VanDerWaalsContact C-N 3.33Å; I195-L197 PolarHBondContact O-N 3.5Å; I195-L198 PolarHBondContact O-N 3.48Å; I195-L199 WeakPolarHBondContact O-CB 3.49Å; I195-L199 PolarHBondContact O-N 2.89Å
196L93.3Very high91.8Very high33 Ų3372.6 Ų72.617%0.17340%0.401CS..Hα-helixtrans-58.5-44.7176.1-177.965.5000111.5M171 I174 T192 F193 L198 L199 T200M171-L196 HydrophobicContact CB-CD1 4.37Å; M171-L196 HydrophobicContact CG-CD1 4.47Å; I174-L196 HydrophobicContact CB-CD1 4.3Å; I174-L196 HydrophobicContact CG2-CB 3.99Å; I174-L196 HydrophobicContact CG2-CD1 4.16Å; T192-L196 PolarHBondContact O-N 3.14Å; F193-L196 WeakPolarHBondContact O-CB 3.42Å; F193-L196 PolarHBondContact O-N 2.92Å; L196-L198 PolarHBondContact O-N 3.43Å; L196-L199 WeakPolarHBondContact O-CB 3.31Å; L196-L199 PolarHBondContact O-N 2.85Å; L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 3.45Å
197L92.8Very high91.9Very high101 Ų10169 Ų6953%0.52938%0.379SS..Hα-helixtrans-60.9-46.7176.8-170.8151.8000111.1F193 I194 I195 L199 T200 V201F193-L197 PolarHBondContact O-N 3.2Å; I194-L197 PolarHBondContact O-N 2.91Å; I195-L197 VanDerWaalsContact C-N 3.33Å; I195-L197 PolarHBondContact O-N 3.5Å; L197-L199 PolarHBondContact O-N 2.96Å; L197-T200 PolarHBondContact O-N 2.83Å; L197-T200 PolarHBondContact O-OG1 3.28Å; L197-V201 HydrophobicContact CD2-CG2 4.42Å; L197-V201 PolarHBondContact O-N 3.05Å
198L94.4Very high91.7Very high124 Ų12470.2 Ų70.265%0.64938%0.38SS*.Hα-helixtrans-60-38.2176.8-173.764.9000111.9I194 I195 L196 V201 L202I194-L198 PolarHBondContact O-N 2.9Å; I195-L198 PolarHBondContact O-N 3.48Å; L196-L198 PolarHBondContact O-N 3.43Å; L198-V201 PolarHBondContact O-N 3Å; L198-L202 PolarHBondContact O-N 3.4Å
199L92.7Very high91.8Very high24 Ų2472.1 Ų72.113%0.12639%0.387CS..Hα-helixtrans-66.4-41.3179.2-157.3124.1000112.4L170 M171 I174 I195 L196 L197 V201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.44Å; L170-L199 HydrophobicContact CD2-CD1 3.47Å; L170-L199 VanDerWaalsContact CD2-CD1 3.47Å; L170-L199 HydrophobicContact CD2-CD2 4.28Å; L170-L199 HydrophobicContact CD2-CG 4.39Å; L170-L199 HydrophobicContact CG-CD1 3.78Å; L170-L199 HydrophobicContact CG-CD2 4.2Å; M171-L199 HydrophobicContact CB-CD2 4.41Å; M171-L199 HydrophobicContact CG-CD2 3.34Å; I174-L199 HydrophobicContact CD1-CD1 3.88Å; I195-L199 WeakPolarHBondContact O-CB 3.49Å; I195-L199 PolarHBondContact O-N 2.89Å; L196-L199 WeakPolarHBondContact O-CB 3.31Å; L196-L199 PolarHBondContact O-N 2.85Å; L197-L199 PolarHBondContact O-N 2.96Å; L199-V201 VanDerWaalsContact C-N 3.31Å; L199-V201 PolarHBondContact O-N 2.67Å; L199-L202 WeakPolarHBondContact O-CB 3.43Å; L199-L202 PolarHBondContact O-N 3.28Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L199-E203 VanDerWaalsContact CD2-OE1 3.29Å; L199-E203 WeakPolarHBondContact CD2-OE1 3.36Å; L199-E203 PolarHBondContact O-N 3.11Å
200T91.1Very high91.6Very high61 Ų6172.4 Ų72.437%0.37439%0.387SS..Hα-helixtrans-61.1-3917559.30000112.4M171 L196 L197 E203 F204M171-T200 HydrophobicContact SD-CG2 3.72Å; L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 3.45Å; L197-T200 PolarHBondContact O-N 2.83Å; L197-T200 PolarHBondContact O-OG1 3.28Å; T200-E203 PolarHBondContact O-N 2.92Å; T200-F204 PolarHBondContact O-N 3.42Å
201V92.3Very high91.5Very high88 Ų8868.7 Ų68.753%0.53337%0.365SS..Hα-helixtrans-65.4-41.8174.7174.80000111L197 L198 L199 F204 A205L197-V201 HydrophobicContact CD2-CG2 4.42Å; L197-V201 PolarHBondContact O-N 3.05Å; L198-V201 PolarHBondContact O-N 3Å; L199-V201 VanDerWaalsContact C-N 3.31Å; L199-V201 PolarHBondContact O-N 2.67Å; V201-F204 PolarHBondContact O-N 3.21Å; V201-A205 PolarHBondContact O-N 3.17Å
202L91.3Very high91.4Very high107 Ų10768.4 Ų68.456%0.5636%0.358SS*.Hα-helixtrans-60.4-46.2176.1178.667.1000111.2L198 L199 F204 A205 V206L198-L202 PolarHBondContact O-N 3.4Å; L199-L202 WeakPolarHBondContact O-CB 3.43Å; L199-L202 PolarHBondContact O-N 3.28Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-F204 PolarHBondContact O-N 2.9Å; L202-A205 WeakPolarHBondContact O-CB 3.39Å; L202-A205 PolarHBondContact O-N 3.14Å; L202-A205 VanDerWaalsContact O-N 3.14Å; L202-V206 HydrophobicContact CD1-CG2 4.4Å; L202-V206 HydrophobicContact CG-CG2 4.37Å; L202-V206 WeakPolarHBondContact O-CG2 3.48Å; L202-V206 PolarHBondContact O-N 3.22Å
203E90.4Very high91.2Very high18 Ų1869 Ų698%0.08436%0.362CS..Hα-helixtrans-65.1-36.1179.8-85.1-176.1-151.400113.4L87 G167 M171 L199 T200 A205 V206 A207L87-E203 HydrophobicContact CD2-CB 3.88Å; L87-E203 VanDerWaalsContact CD2-OE2 3.26Å; L87-E203 WeakPolarHBondContact CD2-OE2 3.39Å; G167-E203 VanDerWaalsContact CA-CD 3.47Å; G167-E203 WeakPolarHBondContact CA-OE1 3.29Å; M171-E203 WeakPolarHBondContact CE-OE2 3.47Å; M171-E203 WeakPolarHBondContact CG-OE1 3.5Å; L199-E203 VanDerWaalsContact CD2-OE1 3.29Å; L199-E203 WeakPolarHBondContact CD2-OE1 3.36Å; L199-E203 PolarHBondContact O-N 3.11Å; T200-E203 PolarHBondContact O-N 2.92Å; E203-A205 VanDerWaalsContact C-N 3.28Å; E203-A205 PolarHBondContact O-N 3.39Å; E203-V206 PolarHBondContact O-N 3.07Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 2.81Å; E203-A207 PolarHBondContact O-N 3.44Å
204F89.9Confident90.9Very high112 Ų11263.4 Ų63.449%0.49134%0.337SS..Hα-helixtrans-58.1-44.1172.1-169-80.3000111.4L84 L87 T200 V201 L202 L208L84-F204 HydrophobicContact CD1-CD2 3.62Å; L84-F204 HydrophobicContact CD1-CE2 3.11Å; L84-F204 HydrophobicContact CD1-CZ 3.64Å; L84-F204 HydrophobicContact CG-CE2 4.5Å; L87-F204 HydrophobicContact CD1-CB 4.24Å; L87-F204 HydrophobicContact CD1-CD2 4.41Å; T200-F204 PolarHBondContact O-N 3.42Å; V201-F204 PolarHBondContact O-N 3.21Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-F204 PolarHBondContact O-N 2.9Å; F204-L208 PolarHBondContact O-N 2.83Å
205A91.2Very high90.6Very high44 Ų4458 Ų5836%0.36431%0.309SS..Hα-helixtrans-65.2-45.9176.100000111.6V201 L202 E203 A207 L208 I209V201-A205 PolarHBondContact O-N 3.17Å; L202-A205 WeakPolarHBondContact O-CB 3.39Å; L202-A205 PolarHBondContact O-N 3.14Å; L202-A205 VanDerWaalsContact O-N 3.14Å; E203-A205 VanDerWaalsContact C-N 3.28Å; E203-A205 PolarHBondContact O-N 3.39Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.49Å; A205-L208 PolarHBondContact O-N 2.99Å; A205-I209 WeakPolarHBondContact O-CB 3.33Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.46Å; A205-I209 PolarHBondContact O-N 2.93Å
206V91.1Very high90.3Very high50 Ų5056.5 Ų56.530%0.30330%0.302SS..Hα-helixtrans-61.5-41.3179173.20000111.3N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.07Å; L202-V206 HydrophobicContact CD1-CG2 4.4Å; L202-V206 HydrophobicContact CG-CG2 4.37Å; L202-V206 WeakPolarHBondContact O-CG2 3.48Å; L202-V206 PolarHBondContact O-N 3.22Å; E203-V206 PolarHBondContact O-N 3.07Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 3.23Å; V206-I209 PolarHBondContact O-N 3.36Å; V206-Q210 WeakPolarHBondContact O-CB 3.43Å; V206-Q210 PolarHBondContact O-N 2.96Å
207A88.6Confident89.9Confident9 Ų956.6 Ų56.67%0.07430%0.303CS..Hα-helixtrans-58.3-42.9178.900000112.5N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.97Å; L87-A207 HydrophobicContact CD1-CB 4.03Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 2.81Å; E203-A207 PolarHBondContact O-N 3.44Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.49Å; A207-A211 PolarHBondContact O-N 3.32Å
208L88.1Confident89.5Confident115 Ų11552.3 Ų52.360%0.60228%0.281SS*.Hα-helixtrans-75.3-43.7179.5-168.8144.8000112.1F204 A205 V206 Q210 A211 Y212F204-L208 PolarHBondContact O-N 2.83Å; A205-L208 PolarHBondContact O-N 2.99Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 3.23Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.2Å; L208-A211 PolarHBondContact O-N 3.14Å; L208-Y212 PolarHBondContact O-N 3.32Å; L208-Y212 VanDerWaalsContact O-N 3.14Å
209I90.6Very high89Confident96 Ų9646.7 Ų46.749%0.49225%0.251SS..Hα-helixtrans-60.9-40.4176.7-68.8167.1000110.4A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.33Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.46Å; A205-I209 PolarHBondContact O-N 2.93Å; V206-I209 PolarHBondContact O-N 3.36Å; I209-A211 PolarHBondContact O-N 3.36Å; I209-Y212 WeakPolarHBondContact O-CB 3.44Å; I209-Y212 PolarHBondContact O-N 3.44Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.43Å; I209-V213 PolarHBondContact O-N 2.99Å
210Q88.7Confident88.6Confident9 Ų949.1 Ų49.14%0.04226%0.264CS..Hα-helixtrans-66.4-39.2-177.9-174.762.89.600112.1R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.32Å; L160-Q210 HydrophobicContact CB-CG 4.19Å; L160-Q210 HydrophobicContact CD1-CG 3.63Å; L160-Q210 HydrophobicContact CG-CG 3.77Å; V206-Q210 WeakPolarHBondContact O-CB 3.43Å; V206-Q210 PolarHBondContact O-N 2.96Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.2Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Q210-F214 WeakPolarHBondContact O-CB 3.5Å; Q210-F214 PolarHBondContact O-N 3.25Å
211A89.2Confident88Confident3 Ų347.3 Ų47.33%0.02525%0.251CS..Hα-helixtrans-61.8-43.9172.400000111.3I79 A207 L208 I209 F214 T215I79-A211 HydrophobicContact CB-CB 4.15Å; I79-A211 HydrophobicContact CG2-CB 3.8Å; A207-A211 PolarHBondContact O-N 3.32Å; L208-A211 PolarHBondContact O-N 3.14Å; I209-A211 PolarHBondContact O-N 3.36Å; A211-F214 PolarHBondContact O-N 3.28Å; A211-T215 VanDerWaalsContact O-CG2 3.29Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.4Å; A211-T215 PolarHBondContact O-OG1 3.01Å
212Y89.5Confident87.4Confident94 Ų9443.3 Ų43.337%0.36923%0.226SC..Hα-helixtrans-60.9-53.5176.7176.4-95.9000112.2M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 3.99Å; M57-Y212 HydrophobicContact CE-CE2 3.23Å; I76-Y212 HydrophobicContact CD1-CD2 4.46Å; L208-Y212 PolarHBondContact O-N 3.32Å; L208-Y212 VanDerWaalsContact O-N 3.14Å; I209-Y212 WeakPolarHBondContact O-CB 3.44Å; I209-Y212 PolarHBondContact O-N 3.44Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 2.66Å; Y212-T215 PolarHBondContact O-N 3.21Å; Y212-T215 VanDerWaalsContact O-N 3.15Å; Y212-T215 PolarHBondContact O-OG1 3.35Å; Y212-L216 HydrophobicContact CE1-CD1 3.59Å; Y212-L216 WeakPolarHBondContact O-CB 3.26Å; Y212-L216 PolarHBondContact O-N 3.5Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.46Å
213V89.5Confident86.8Confident43 Ų4341.4 Ų41.426%0.26121%0.214SC..Hα-helixtrans-60.4-38.3-179.3172.60000111.5I209 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.43Å; I209-V213 PolarHBondContact O-N 2.99Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CG 3.47Å; V213-L217 PolarHBondContact O-N 3.5Å; V213-L217 VanDerWaalsContact O-N 3.08Å
214F86.3Confident86.1Confident2 Ų244.1 Ų44.11%0.00923%0.229CC..Hα-helixtrans-56.7-52.9175-170.1-82.1000111.1L75 I79 A105 L108 L156 L160 Q210 A211 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.79Å; L75-F214 HydrophobicContact CD2-CE1 3.76Å; L75-F214 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CG-CE1 4.2Å; I79-F214 HydrophobicContact CD1-CB 4.29Å; I79-F214 HydrophobicContact CD1-CD1 3.34Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.64Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.27Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.13Å; L108-F214 HydrophobicContact CD1-CE1 4.28Å; L156-F214 HydrophobicContact CB-CE2 4.49Å; L156-F214 HydrophobicContact CD1-CD2 4.25Å; L156-F214 HydrophobicContact CD2-CD1 4.15Å; L156-F214 HydrophobicContact CD2-CD2 3.29Å; L156-F214 HydrophobicContact CD2-CE1 4.08Å; L156-F214 HydrophobicContact CD2-CE2 3.2Å; L156-F214 HydrophobicContact CD2-CG 3.77Å; L156-F214 HydrophobicContact CD2-CZ 3.62Å; L156-F214 HydrophobicContact CG-CD2 3.41Å; L156-F214 VanDerWaalsContact CG-CD2 3.41Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.5Å; L160-F214 HydrophobicContact CD1-CD2 4.13Å; Q210-F214 WeakPolarHBondContact O-CB 3.5Å; Q210-F214 PolarHBondContact O-N 3.25Å; A211-F214 PolarHBondContact O-N 3.28Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 2.66Å; F214-L217 PolarHBondContact O-N 3.32Å; F214-V218 HydrophobicContact CD1-CG2 4.34Å; F214-V218 HydrophobicContact CE1-CG2 4.17Å; F214-V218 WeakPolarHBondContact O-CG2 3.43Å; F214-V218 PolarHBondContact O-N 3.32Å
215T88.1Confident85.2Confident0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-71.4-35.4-175.962.50000112.9L75 I76 A211 Y212 V218 S219L75-T215 HydrophobicContact CB-CG2 4.25Å; L75-T215 HydrophobicContact CD2-CG2 3.71Å; L75-T215 HydrophobicContact CG-CG2 4.03Å; I76-T215 VanDerWaalsContact CA-CG2 3.5Å; I76-T215 HydrophobicContact CB-CG2 3.43Å; I76-T215 VanDerWaalsContact CB-CG2 3.43Å; I76-T215 HydrophobicContact CG1-CG2 3.96Å; A211-T215 VanDerWaalsContact O-CG2 3.29Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 3.4Å; A211-T215 PolarHBondContact O-OG1 3.01Å; Y212-T215 PolarHBondContact O-N 3.21Å; Y212-T215 VanDerWaalsContact O-N 3.15Å; Y212-T215 PolarHBondContact O-OG1 3.35Å; T215-V218 PolarHBondContact O-N 3.2Å; T215-S219 WeakPolarHBondContact O-CB 3.46Å; T215-S219 PolarHBondContact O-N 3.02Å
216L87.1Confident84.1Confident53 Ų5339.2 Ų39.228%0.27720%0.204SC..Hα-helixtrans-63.3-45.2176.6-175.9149.8000111.1Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.59Å; Y212-L216 WeakPolarHBondContact O-CB 3.26Å; Y212-L216 PolarHBondContact O-N 3.5Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.46Å; L216-S219 WeakPolarHBondContact O-CB 3.23Å; L216-S219 PolarHBondContact O-N 2.92Å; L216-S219 VanDerWaalsContact O-N 3.17Å; L216-S219 PolarHBondContact O-OG 3.03Å; L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 PolarHBondContact O-N 3.17Å
217L85.3Confident83.8Confident36 Ų3638.7 Ų38.719%0.18820%0.199CC..Hα-helixtrans-63-43.4177.4-76.3167.5000111.6L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.06Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.32Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CG 3.47Å; V213-L217 PolarHBondContact O-N 3.5Å; V213-L217 VanDerWaalsContact O-N 3.08Å; F214-L217 PolarHBondContact O-N 3.32Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.88Å; L217-L220 PolarHBondContact O-N 3.14Å; L217-Y221 HydrophobicContact CB-CE2 4.12Å; L217-Y221 WeakPolarHBondContact O-CD2 3.36Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å; L217-Y221 PolarHBondContact O-N 2.98Å
218V84Confident83.5Confident11 Ų1140.3 Ų40.37%0.06721%0.205CC..Hα-helixtrans-58.2-41.8173.2174.50000111.6L75 L108 L156 F214 T215 Y221 L222L75-V218 HydrophobicContact CD2-CG2 4.49Å; L108-V218 HydrophobicContact CB-CG1 4.47Å; L156-V218 HydrophobicContact CD2-CG2 4.38Å; F214-V218 HydrophobicContact CD1-CG2 4.34Å; F214-V218 HydrophobicContact CE1-CG2 4.17Å; F214-V218 WeakPolarHBondContact O-CG2 3.43Å; F214-V218 PolarHBondContact O-N 3.32Å; T215-V218 PolarHBondContact O-N 3.2Å; V218-Y221 PolarHBondContact O-N 3.38Å; V218-L222 PolarHBondContact O-N 3.26Å; V218-L222 VanDerWaalsContact O-N 3.1Å
219S84.8Confident83.3Confident5 Ų536.1 Ų36.14%0.03518%0.183CC..Hα-helixtrans-66.5-38.4177.985.30000112.4H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.1Å; T215-S219 WeakPolarHBondContact O-CB 3.46Å; T215-S219 PolarHBondContact O-N 3.02Å; L216-S219 WeakPolarHBondContact O-CB 3.23Å; L216-S219 PolarHBondContact O-N 2.92Å; L216-S219 VanDerWaalsContact O-N 3.17Å; L216-S219 PolarHBondContact O-OG 3.03Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.88Å; S219-L222 WeakPolarHBondContact O-CB 3.26Å; S219-L222 PolarHBondContact O-N 2.71Å; S219-H223 PolarHBondContact O-N 3.38Å
220L83Confident82.8Confident76 Ų7632.6 Ų32.640%0.39817%0.165SC..Hα-helixtrans-66.8-41.7177.2-169.4149.3000110.9L216 L217 L222 H223 D224L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 PolarHBondContact O-N 3.17Å; L217-L220 PolarHBondContact O-N 3.14Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 2.89Å; L220-H223 WeakPolarHBondContact O-CA 3.41Å; L220-H223 WeakPolarHBondContact O-CB 3.5Å; L220-H223 PolarHBondContact O-N 3Å; L220-H223 VanDerWaalsContact O-N 3.07Å; L220-D224 VanDerWaalsContact CD2-OD2 3.24Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.36Å; L220-D224 PolarHBondContact O-N 2.91Å
221Y78.3Confident82.5Confident22 Ų2234.1 Ų34.19%0.08617%0.173CC..Hα-helixtrans-60.8-38.3172.9-62.6-51.7000112.4Q152 L217 V218 H223 N225Q152-Y221 WeakPolarHBondContact CB-OH 3.25Å; Q152-Y221 VanDerWaalsContact CD-CZ 3.4Å; Q152-Y221 HydrophobicContact CG-CE1 4.39Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.46Å; Q152-Y221 PolarHBondContact NE2-OH 3.22Å; Q152-Y221 PolarHBondContact OE1-OH 3.45Å; L217-Y221 HydrophobicContact CB-CE2 4.12Å; L217-Y221 WeakPolarHBondContact O-CD2 3.36Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å; L217-Y221 PolarHBondContact O-N 2.98Å; V218-Y221 PolarHBondContact O-N 3.38Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.47Å; Y221-N225 PolarHBondContact O-N 3.47Å; Y221-N225 VanDerWaalsContact O-N 3.1Å; Y221-N225 PolarHBondContact O-ND2 2.96Å
222L79.9Confident82Confident4 Ų436.1 Ų36.12%0.02118%0.182CC..Hα-helixtrans-65.7-40175.9-170.273.3000110.8W68 I72 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.39Å; W68-L222 HydrophobicContact CD2-CD1 3.96Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CG-CD1 4.02Å; W68-L222 HydrophobicContact CG-CD2 3.51Å; W68-L222 HydrophobicContact CG-CG 4.44Å; I72-L222 HydrophobicContact CD1-CD2 4.45Å; V218-L222 PolarHBondContact O-N 3.26Å; V218-L222 VanDerWaalsContact O-N 3.1Å; S219-L222 WeakPolarHBondContact O-CB 3.26Å; S219-L222 PolarHBondContact O-N 2.71Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 2.89Å; L222-N225 PolarHBondContact O-N 3.07Å; L222-T226 HydrophobicContact CD1-CG2 4.22Å; L222-T226 HydrophobicContact CG-CG2 4.19Å; L222-T226 WeakPolarHBondContact O-CB 3.41Å; L222-T226 WeakPolarHBondContact O-CG2 3.45Å; L222-T226 PolarHBondContact O-N 3.36Å; L222-T226 PolarHBondContact O-OG1 3.29Å
223H79.7Confident81.5Confident68 Ų6832 Ų3232%0.31517%0.169SC..Hα-helixtrans-60.3-50.6175.4-173.882.1000111.8I60 S219 L220 Y221 N225 T226I60-H223 PolarHBondContact O-CE1 3.13Å; I60-H223 PolarHBondContact O-ND1 3.42Å; S219-H223 PolarHBondContact O-N 3.38Å; L220-H223 WeakPolarHBondContact O-CA 3.41Å; L220-H223 WeakPolarHBondContact O-CB 3.5Å; L220-H223 PolarHBondContact O-N 3Å; L220-H223 VanDerWaalsContact O-N 3.07Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.22Å; H223-T226 PolarHBondContact O-N 3.11Å; H223-T226 VanDerWaalsContact O-N 3.16Å; H223-T226 PolarHBondContact O-OG1 3.34Å
224D75.6Confident80.9Confident74 Ų7431.2 Ų31.240%0.39616%0.162SC..Hα-helixtrans-62-30.8-179.9-66.6-13.1000112.6L220L220-D224 VanDerWaalsContact CD2-OD2 3.24Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.36Å; L220-D224 PolarHBondContact O-N 2.91Å
225N71.8Confident80.4Confident22 Ų2233.6 Ų33.612%0.11818%0.175CC..Hα-helixtrans-91.3-4.3179.8-74.5-69000114.4G116 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.33Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.47Å; Y221-N225 PolarHBondContact O-N 3.47Å; Y221-N225 VanDerWaalsContact O-N 3.1Å; Y221-N225 PolarHBondContact O-ND2 2.96Å; L222-N225 PolarHBondContact O-N 3.07Å; H223-N225 PolarHBondContact O-N 3.22Å
226T67.3Low79.7Confident32 Ų3236.6 Ų36.620%0.19619%0.191CC..  trans-105.90-177.451.80000115K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.33Å; K120-T226 PolarHBondContact NZ-O 3.39Å; K120-T226 PolarHBondContact NZ-OXT 2.89Å; L222-T226 HydrophobicContact CD1-CG2 4.22Å; L222-T226 HydrophobicContact CG-CG2 4.19Å; L222-T226 WeakPolarHBondContact O-CB 3.41Å; L222-T226 WeakPolarHBondContact O-CG2 3.45Å; L222-T226 PolarHBondContact O-N 3.36Å; L222-T226 PolarHBondContact O-OG1 3.29Å; H223-T226 PolarHBondContact O-N 3.11Å; H223-T226 VanDerWaalsContact O-N 3.16Å; H223-T226 PolarHBondContact O-OG1 3.34Å

Retrieved 226 of 226 residues in 66.5 ms (Link to these results)