A0A087YRM7_POEFO Loading...

G protein-coupled receptor 65

AlphaFold DB , UniProt , Accession A0A087YRM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 328 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
1M26.5Very low45.7Very low242 Ų242106.4 Ų106.4100%1.19260%0.598SS**  01060-154.2173.4-15800106.7L3M1-L3 PolarHBondContact O-N 3.45Å
2C24.9Very low47.5Very low135 Ų135100 Ų10091%0.91256%0.56SS**  trans-71.4110.2-177.1-66.90000109.3N4C2-N4 PolarHBondContact O-N 3.03Å
3L37.8Very low49.7Very low111 Ų11197.4 Ų97.458%0.58155%0.548SS*.  trans-63.3121.8167-90147.1000107.8M1 I5M1-L3 PolarHBondContact O-N 3.45Å; L3-I5 PolarHBondContact O-N 3.38Å
4N34.9Very low51.8Low124 Ų12497.4 Ų97.466%0.66356%0.555SS**  trans-66.4100.4173.1-169.3-8.2000108.2C2 N6C2-N4 PolarHBondContact O-N 3.03Å; N4-N6 PolarHBondContact O-N 3.05Å; N4-N6 VanDerWaalsContact O-N 3.12Å
5I50.5Low54.1Low95 Ų9598.9 Ų98.949%0.48756%0.559SS.*G310 helixtrans-60.6-21.3-171.8-68.3164.7000112.1L3 G7 F9L3-I5 PolarHBondContact O-N 3.38Å; I5-G7 PolarHBondContact O-N 3.43Å; I5-F9 HydrophobicContact CG2-CE2 3.82Å; I5-F9 HydrophobicContact CG2-CZ 3.52Å; I5-F9 WeakPolarHBondContact O-CE2 3.44Å
6N47.3Very low56Low143 Ų14397.4 Ų97.477%0.76554%0.542SS*.G310 helixtrans-70.6-1.9-170-68.7-14.5000116N4N4-N6 PolarHBondContact O-N 3.05Å; N4-N6 VanDerWaalsContact O-N 3.12Å
7G50.2Low57.6Low48 Ų4896.4 Ų96.450%0.49553%0.528SS..G310 helixtrans-127.6-6.9-174.800000117.4I5I5-G7 PolarHBondContact O-N 3.43Å
8C57.1Low59.4Low20 Ų2099.1 Ų99.114%0.13553%0.534CS..  trans-102.511.6-171.6-59.20000115.1L10 C253C8-L10 PolarHBondContact O-N 3.29Å; C8-C253 WeakPolarHBondContact CA-SG 3.18Å; C8-C253 HydrophobicContact CB-CB 4.33Å; C8-C253 WeakPolarHBondContact CB-SG 3.26Å; C8-C253 VanDerWaalsContact SG-CA 3.58Å; C8-C253 WeakPolarHBondContact SG-CB 3.35Å; C8-C253 CovalentContact SG-SG 2.03Å; C8-C253 PolarHBondContact SG-SG 2.83Å
9F56.1Low61Low83 Ų8399.4 Ų99.436%0.36454%0.535SS..  trans-75.6126.1175.5-62.3-72.2000110.7I5 V11 F171I5-F9 HydrophobicContact CG2-CE2 3.82Å; I5-F9 HydrophobicContact CG2-CZ 3.52Å; I5-F9 WeakPolarHBondContact O-CE2 3.44Å; F9-V11 PolarHBondContact O-N 3.11Å; F9-F171 HydrophobicContact CD1-CD1 4.21Å; F9-F171 AromaticContact CD1-CE1 3.97Å; F9-F171 HydrophobicContact CD1-CE1 3.97Å; F9-F171 HydrophobicContact CD1-CZ 4.26Å; F9-F171 HydrophobicContact CE1-CD1 4.29Å; F9-F171 HydrophobicContact CE1-CE1 4.47Å; F9-F171 HydrophobicContact CE1-CG 4.44Å
10L58.3Low62.5Low43 Ų4395.9 Ų95.923%0.22551%0.514CS..  trans-81.3106.4168.2-149.8165000107.1C8 E12 K257 L260 I261C8-L10 PolarHBondContact O-N 3.29Å; L10-E12 PolarHBondContact O-N 3.1Å; L10-K257 HydrophobicContact CD1-CB 4.12Å; L10-K257 WeakPolarHBondContact CD1-O 2.97Å; L10-L260 HydrophobicContact CB-CD1 3.87Å; L10-L260 HydrophobicContact CD1-CB 4.1Å; L10-L260 HydrophobicContact CD1-CD1 4.22Å; L10-I261 HydrophobicContact CD1-CD1 4.14Å; L10-I261 HydrophobicContact CD1-CG1 3.82Å
11V58.9Low63.9Low126 Ų12692.1 Ų92.176%0.76449%0.494SS*.  trans-65103.3169.9-179.10000107.1F9 T13F9-V11 PolarHBondContact O-N 3.11Å; V11-T13 PolarHBondContact O-N 3.42Å
12E67.2Low67.1Low30 Ų3085.8 Ų85.814%0.1446%0.464CS..  trans-60.8127174.3-82.5-163.7154.700110.1L10 R17 K264L10-E12 PolarHBondContact O-N 3.1Å; E12-R17 IonicContact OE2-NE 2.81Å; E12-K264 VanDerWaalsContact CD-NZ 3.34Å; E12-K264 IonicContact OE1-NZ 3.39Å; E12-K264 PolarHBondContact OE1-NZ 3.32Å
13T76.8Confident70.5Confident66 Ų6682.5 Ų82.541%0.40543%0.433SS..  trans-65.4141.7172.258.20000109.7V11 L15 R16 R17V11-T13 PolarHBondContact O-N 3.42Å; T13-L15 PolarHBondContact O-N 3.03Å; T13-L15 VanDerWaalsContact O-N 3.09Å; T13-R16 PolarHBondContact O-N 2.83Å; T13-R16 WeakPolarHBondContact OG1-CB 3.35Å; T13-R17 PolarHBondContact O-N 3.31Å
14P79.4Confident73.2Confident98 Ų9878.2 Ų78.264%0.63641%0.409SS*.Hα-helixtrans-53.2-34.4178.2-28.334.5000113.3K18P14-K18 WeakPolarHBondContact O-CG 3.41Å; P14-K18 PolarHBondContact O-N 3.1Å; P14-K18 VanDerWaalsContact O-N 3.09Å
15L85.6Confident76Confident119 Ų11976 Ų7662%0.62340%0.397SS*.Hα-helixtrans-61.9-48.5175.6-179.762.3000112T13 R17 K18 L19T13-L15 PolarHBondContact O-N 3.03Å; T13-L15 VanDerWaalsContact O-N 3.09Å; L15-R17 PolarHBondContact O-N 3.07Å; L15-K18 PolarHBondContact O-N 3.19Å; L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.04Å
16R84.3Confident78.1Confident76 Ų7674.6 Ų74.629%0.28739%0.393SS..Hα-helixtrans-64.5-42.4-177.9-170.4-172.2-48.7-1141111.7T13 K18 L19 F20T13-R16 PolarHBondContact O-N 2.83Å; T13-R16 WeakPolarHBondContact OG1-CB 3.35Å; R16-K18 PolarHBondContact O-N 3.47Å; R16-L19 PolarHBondContact O-N 2.82Å; R16-F20 HydrophobicContact CG-CD2 3.9Å; R16-F20 HydrophobicContact CG-CE2 3.66Å; R16-F20 WeakPolarHBondContact O-CD2 3.29Å; R16-F20 PolarHBondContact O-N 3.45Å
17R84.3Confident80.3Confident79 Ų7967.9 Ų67.930%0.29836%0.357SS..Hα-helixtrans-58.5-47.2174.6-172.9-176.4-64.1-171.46.4111.2E12 T13 L15 L19 F20 L21 L77E12-R17 IonicContact OE2-NE 2.81Å; T13-R17 PolarHBondContact O-N 3.31Å; L15-R17 PolarHBondContact O-N 3.07Å; R17-L19 VanDerWaalsContact C-N 3.33Å; R17-L19 PolarHBondContact O-N 3.1Å; R17-F20 PolarHBondContact O-N 3.49Å; R17-L21 HydrophobicContact CG-CD1 4.08Å; R17-L21 WeakPolarHBondContact O-CB 3.44Å; R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.39Å; R17-L21 PolarHBondContact O-N 3.41Å; R17-L77 WeakPolarHBondContact CD-O 3.06Å; R17-L77 VanDerWaalsContact CG-O 3.3Å; R17-L77 WeakPolarHBondContact CG-O 3.43Å
18K88.4Confident82.4Confident146 Ų14666.4 Ų66.464%0.63534%0.338SS*.Hα-helixtrans-59.6-40.4175.2-75.4179-179.5-175.10112.6P14 L15 R16 L21 L22P14-K18 WeakPolarHBondContact O-CG 3.41Å; P14-K18 PolarHBondContact O-N 3.1Å; P14-K18 VanDerWaalsContact O-N 3.09Å; L15-K18 PolarHBondContact O-N 3.19Å; R16-K18 PolarHBondContact O-N 3.47Å; K18-L21 PolarHBondContact O-N 3.37Å; K18-L22 WeakPolarHBondContact O-CB 3.33Å; K18-L22 PolarHBondContact O-N 2.85Å
19L91.6Very high84.2Confident105 Ų10570.6 Ų70.655%0.5536%0.358SS..Hα-helixtrans-64.1-46.8177.6-69.9173000112.1L15 R16 R17 L22 Y23L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.04Å; R16-L19 PolarHBondContact O-N 2.82Å; R17-L19 VanDerWaalsContact C-N 3.33Å; R17-L19 PolarHBondContact O-N 3.1Å; L19-L22 PolarHBondContact O-N 3.43Å; L19-Y23 WeakPolarHBondContact O-CB 3.44Å; L19-Y23 PolarHBondContact O-N 3.04Å
20F90.4Very high85.9Confident29 Ų2970.8 Ų70.813%0.12736%0.362CS..Hα-helixtrans-64.3-40176.4-79.7-66000112.3R16 R17 Y23 Y24 K264 V265 A268R16-F20 HydrophobicContact CG-CD2 3.9Å; R16-F20 HydrophobicContact CG-CE2 3.66Å; R16-F20 WeakPolarHBondContact O-CD2 3.29Å; R16-F20 PolarHBondContact O-N 3.45Å; R17-F20 PolarHBondContact O-N 3.49Å; F20-Y23 WeakPolarHBondContact O-CB 3.24Å; F20-Y23 PolarHBondContact O-N 3.4Å; F20-Y24 HydrophobicContact CB-CD2 4.41Å; F20-Y24 HydrophobicContact CB-CE2 4.3Å; F20-Y24 HydrophobicContact CD1-CE2 4.17Å; F20-Y24 WeakPolarHBondContact O-CD2 3.29Å; F20-Y24 PolarHBondContact O-N 3Å; F20-K264 HydrophobicContact CE1-CB 4.37Å; F20-K264 HydrophobicContact CE2-CB 4.34Å; F20-K264 HydrophobicContact CZ-CB 3.84Å; F20-V265 HydrophobicContact CZ-CG2 4.24Å; F20-A268 HydrophobicContact CD1-CB 4.31Å; F20-A268 HydrophobicContact CE1-CB 3.95Å
21L91.8Very high87.6Confident17 Ų1768.7 Ų68.79%0.08935%0.351CS..Hα-helixtrans-59.7-49.4174.4-77165.6000111.8R17 K18 Y23 Y24 L25 M74 L77 W78R17-L21 HydrophobicContact CG-CD1 4.08Å; R17-L21 WeakPolarHBondContact O-CB 3.44Å; R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.39Å; R17-L21 PolarHBondContact O-N 3.41Å; K18-L21 PolarHBondContact O-N 3.37Å; L21-Y23 VanDerWaalsContact C-N 3.28Å; L21-Y23 PolarHBondContact O-N 3.46Å; L21-Y24 PolarHBondContact O-N 2.89Å; L21-L25 VanDerWaalsContact O-CB 3.24Å; L21-L25 WeakPolarHBondContact O-CB 3.42Å; L21-L25 PolarHBondContact O-N 3.45Å; L21-M74 HydrophobicContact CB-CE 4.27Å; L21-M74 HydrophobicContact CD2-CE 3.55Å; L21-M74 HydrophobicContact CD2-SD 4.01Å; L21-M74 WeakPolarHBondContact O-CE 3.22Å; L21-L77 HydrophobicContact CD2-CB 3.5Å; L21-L77 VanDerWaalsContact CD2-CB 3.5Å; L21-L77 HydrophobicContact CD2-CD1 4.48Å; L21-L77 HydrophobicContact CG-CB 4.16Å; L21-W78 HydrophobicContact CD1-CE3 3.79Å; L21-W78 HydrophobicContact CD1-CZ3 4.38Å
22L94.3Very high89.2Confident109 Ų10965.1 Ų65.157%0.57133%0.327SS*.Hα-helixtrans-61.6-39.9178.4-178.163.4000111.5K18 L19 T26K18-L22 WeakPolarHBondContact O-CB 3.33Å; K18-L22 PolarHBondContact O-N 2.85Å; L19-L22 PolarHBondContact O-N 3.43Å; L22-T26 WeakPolarHBondContact O-CB 3.26Å; L22-T26 PolarHBondContact O-N 3.2Å; L22-T26 PolarHBondContact O-OG1 3.29Å
23Y94.8Very high90.4Very high66 Ų6667.6 Ų67.626%0.25935%0.345SS..Hα-helixtrans-60.3-57.4175.8172.2-98.3000111.9L19 F20 L21 L25 T26 V27 A268 T271 M272L19-Y23 WeakPolarHBondContact O-CB 3.44Å; L19-Y23 PolarHBondContact O-N 3.04Å; F20-Y23 WeakPolarHBondContact O-CB 3.24Å; F20-Y23 PolarHBondContact O-N 3.4Å; L21-Y23 VanDerWaalsContact C-N 3.28Å; L21-Y23 PolarHBondContact O-N 3.46Å; Y23-L25 VanDerWaalsContact C-N 3.3Å; Y23-L25 PolarHBondContact O-N 2.9Å; Y23-T26 WeakPolarHBondContact O-CB 3.35Å; Y23-T26 PolarHBondContact O-N 3.11Å; Y23-V27 HydrophobicContact CD1-CG2 4.36Å; Y23-V27 HydrophobicContact CE1-CG2 3.86Å; Y23-V27 HydrophobicContact CE2-CG2 4.08Å; Y23-V27 WeakPolarHBondContact O-CG2 3.33Å; Y23-V27 PolarHBondContact O-N 2.75Å; Y23-A268 HydrophobicContact CD1-CB 4.04Å; Y23-A268 HydrophobicContact CE1-CB 3.6Å; Y23-A268 WeakPolarHBondContact CE1-O 3.49Å; Y23-A268 PolarHBondContact OH-O 3.43Å; Y23-T271 WeakPolarHBondContact CE1-OG1 3.31Å; Y23-T271 PolarHBondContact OH-OG1 3.47Å; Y23-M272 WeakPolarHBondContact OH-CG 3.41Å
24Y94.3Very high91Very high20 Ų2065.5 Ų65.58%0.07834%0.335CS..Hα-helixtrans-65.1-34.2-178.1-71.2-57.6000112.3F20 L21 T26 V27 I28 L70 L77 A268 T271F20-Y24 HydrophobicContact CB-CD2 4.41Å; F20-Y24 HydrophobicContact CB-CE2 4.3Å; F20-Y24 HydrophobicContact CD1-CE2 4.17Å; F20-Y24 WeakPolarHBondContact O-CD2 3.29Å; F20-Y24 PolarHBondContact O-N 3Å; L21-Y24 PolarHBondContact O-N 2.89Å; Y24-T26 VanDerWaalsContact C-N 3.33Å; Y24-T26 PolarHBondContact O-N 2.65Å; Y24-V27 PolarHBondContact O-N 2.92Å; Y24-I28 VanDerWaalsContact O-CG1 3.28Å; Y24-I28 WeakPolarHBondContact O-CG1 3.06Å; Y24-I28 PolarHBondContact O-N 3.16Å; Y24-L70 HydrophobicContact CD1-CD1 3.99Å; Y24-L70 HydrophobicContact CD1-CD2 3.9Å; Y24-L70 HydrophobicContact CD1-CG 4.41Å; Y24-L70 HydrophobicContact CE1-CD1 4.31Å; Y24-L70 HydrophobicContact CG-CD1 4.39Å; Y24-L77 HydrophobicContact CD2-CD1 3.49Å; Y24-L77 VanDerWaalsContact CD2-CD1 3.49Å; Y24-L77 HydrophobicContact CE2-CD1 3.87Å; Y24-L77 HydrophobicContact CG-CD1 4.45Å; Y24-A268 HydrophobicContact CE1-CB 4.49Å; Y24-T271 HydrophobicContact CD1-CG2 4.41Å; Y24-T271 HydrophobicContact CE1-CG2 3.74Å
25L95Very high91.6Very high77 Ų7760.8 Ų60.840%0.40330%0.304SS..Hα-helixtrans-59.9-44171.6-177.963.2000111.6L21 Y23 I28 I29 M74L21-L25 VanDerWaalsContact O-CB 3.24Å; L21-L25 WeakPolarHBondContact O-CB 3.42Å; L21-L25 PolarHBondContact O-N 3.45Å; Y23-L25 VanDerWaalsContact C-N 3.3Å; Y23-L25 PolarHBondContact O-N 2.9Å; L25-I28 PolarHBondContact O-N 2.97Å; L25-I29 HydrophobicContact CD1-CD1 4.01Å; L25-I29 HydrophobicContact CD1-CG1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.88Å; L25-I29 VanDerWaalsContact O-CG1 3.31Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 3.01Å; L25-M74 HydrophobicContact CB-CE 4.01Å
26T94.1Very high92Very high67 Ų6758.6 Ų58.641%0.41130%0.296SS..Hα-helixtrans-63.2-43.2176.5-56.40000111L22 Y23 Y24 I28 I29 I30L22-T26 WeakPolarHBondContact O-CB 3.26Å; L22-T26 PolarHBondContact O-N 3.2Å; L22-T26 PolarHBondContact O-OG1 3.29Å; Y23-T26 WeakPolarHBondContact O-CB 3.35Å; Y23-T26 PolarHBondContact O-N 3.11Å; Y24-T26 VanDerWaalsContact C-N 3.33Å; Y24-T26 PolarHBondContact O-N 2.65Å; T26-I28 VanDerWaalsContact C-N 3.34Å; T26-I28 PolarHBondContact O-N 3.3Å; T26-I29 PolarHBondContact O-N 3.41Å; T26-I30 HydrophobicContact CG2-CD1 3.7Å; T26-I30 HydrophobicContact CG2-CG1 4.47Å; T26-I30 VanDerWaalsContact O-CG1 3.32Å; T26-I30 WeakPolarHBondContact O-CG1 3.39Å; T26-I30 PolarHBondContact O-N 2.86Å; T26-I30 VanDerWaalsContact O-N 3.08Å
27V94.1Very high92.2Very high2 Ų257.4 Ų57.41%0.01229%0.293CS..Hα-helixtrans-58.1-46.5174.81740000110.5Y23 Y24 I30 S31 L70 L275Y23-V27 HydrophobicContact CD1-CG2 4.36Å; Y23-V27 HydrophobicContact CE1-CG2 3.86Å; Y23-V27 HydrophobicContact CE2-CG2 4.08Å; Y23-V27 WeakPolarHBondContact O-CG2 3.33Å; Y23-V27 PolarHBondContact O-N 2.75Å; Y24-V27 PolarHBondContact O-N 2.92Å; V27-I30 PolarHBondContact O-N 3.41Å; V27-S31 WeakPolarHBondContact O-CA 3.34Å; V27-S31 WeakPolarHBondContact O-CB 3.27Å; V27-S31 PolarHBondContact O-N 2.89Å; V27-S31 PolarHBondContact O-OG 3.47Å; V27-L70 HydrophobicContact CG1-CD2 4.36Å; V27-L275 HydrophobicContact CG2-CD1 4.39Å
28I94.6Very high92.4Very high17 Ų1753.6 Ų53.69%0.08728%0.279CS..Hα-helixtrans-62-50.1179.9-69.6164.7000111.4Y24 L25 T26 I30 S31 I32 T67 L70 M74Y24-I28 VanDerWaalsContact O-CG1 3.28Å; Y24-I28 WeakPolarHBondContact O-CG1 3.06Å; Y24-I28 PolarHBondContact O-N 3.16Å; L25-I28 PolarHBondContact O-N 2.97Å; T26-I28 VanDerWaalsContact C-N 3.34Å; T26-I28 PolarHBondContact O-N 3.3Å; I28-I30 VanDerWaalsContact C-N 3.26Å; I28-I30 PolarHBondContact O-N 3.43Å; I28-S31 PolarHBondContact O-N 3.37Å; I28-I32 HydrophobicContact CG2-CD1 3.71Å; I28-I32 HydrophobicContact CG2-CG1 4.42Å; I28-I32 WeakPolarHBondContact O-CG1 3.39Å; I28-I32 PolarHBondContact O-N 3.4Å; I28-I32 VanDerWaalsContact O-N 3.12Å; I28-T67 HydrophobicContact CB-CG2 4.18Å; I28-T67 HydrophobicContact CG1-CG2 3.94Å; I28-T67 HydrophobicContact CG2-CG2 4.29Å; I28-L70 HydrophobicContact CD1-CB 4.45Å; I28-L70 HydrophobicContact CD1-CD2 4.31Å; I28-L70 HydrophobicContact CD1-CG 4.17Å; I28-L70 HydrophobicContact CG1-CB 4.48Å; I28-L70 HydrophobicContact CG1-CD2 3.95Å; I28-L70 HydrophobicContact CG1-CG 4.29Å; I28-M74 HydrophobicContact CD1-CG 3.82Å
29I94.3Very high92.6Very high108 Ų10848.6 Ų48.655%0.55426%0.258SS*.Hα-helixtrans-61.5-35.8-176.9-70.4170.3000111.6L25 T26 P33L25-I29 HydrophobicContact CD1-CD1 4.01Å; L25-I29 HydrophobicContact CD1-CG1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.88Å; L25-I29 VanDerWaalsContact O-CG1 3.31Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 3.01Å; T26-I29 PolarHBondContact O-N 3.41Å; I29-P33 WeakPolarHBondContact O-CD 3.34Å; I29-P33 VanDerWaalsContact O-CG 3.31Å; I29-P33 WeakPolarHBondContact O-CG 3.34Å
30I91.9Very high92.5Very high86 Ų8649.7 Ų49.744%0.44126%0.256SS..Hα-helixtrans-84.6-45.1179.6-60171.9000111.1T26 V27 I28 P33 A34 L275T26-I30 HydrophobicContact CG2-CD1 3.7Å; T26-I30 HydrophobicContact CG2-CG1 4.47Å; T26-I30 VanDerWaalsContact O-CG1 3.32Å; T26-I30 WeakPolarHBondContact O-CG1 3.39Å; T26-I30 PolarHBondContact O-N 2.86Å; T26-I30 VanDerWaalsContact O-N 3.08Å; V27-I30 PolarHBondContact O-N 3.41Å; I28-I30 VanDerWaalsContact C-N 3.26Å; I28-I30 PolarHBondContact O-N 3.43Å; I30-P33 WeakPolarHBondContact O-CD 3.35Å; I30-A34 WeakPolarHBondContact O-CB 3.36Å; I30-A34 PolarHBondContact O-N 3.49Å; I30-L275 HydrophobicContact CB-CD2 3.71Å; I30-L275 HydrophobicContact CG2-CD2 3.55Å
31S93.3Very high92.3Very high0 Ų048.4 Ų48.40%025%0.251CS..Hα-helixtrans-67.8-39.4-172.3-57.70000112.4V27 I28 A34 N35 L275V27-S31 WeakPolarHBondContact O-CA 3.34Å; V27-S31 WeakPolarHBondContact O-CB 3.27Å; V27-S31 PolarHBondContact O-N 2.89Å; V27-S31 PolarHBondContact O-OG 3.47Å; I28-S31 PolarHBondContact O-N 3.37Å; S31-A34 PolarHBondContact O-N 3.26Å; S31-N35 VanDerWaalsContact O-CB 3.28Å; S31-N35 WeakPolarHBondContact O-CB 3.08Å; S31-N35 PolarHBondContact O-N 3.46Å; S31-N35 PolarHBondContact O-ND2 3.06Å; S31-L275 WeakPolarHBondContact OG-CD2 3.28Å
32I93.8Very high92.3Very high51 Ų5147.6 Ų47.626%0.26225%0.247SC..Hα-helixtrans-62.3-56.3-177.4-66.9175.8000111.6I28 A34 T36 T67 L68I28-I32 HydrophobicContact CG2-CD1 3.71Å; I28-I32 HydrophobicContact CG2-CG1 4.42Å; I28-I32 WeakPolarHBondContact O-CG1 3.39Å; I28-I32 PolarHBondContact O-N 3.4Å; I28-I32 VanDerWaalsContact O-N 3.12Å; I32-A34 VanDerWaalsContact C-N 3.28Å; I32-A34 PolarHBondContact O-N 3.3Å; I32-T36 VanDerWaalsContact O-CB 3.27Å; I32-T36 WeakPolarHBondContact O-CB 3.32Å; I32-T36 PolarHBondContact O-N 2.94Å; I32-T36 PolarHBondContact O-OG1 2.97Å; I32-T67 HydrophobicContact CD1-CG2 4.17Å; I32-T67 HydrophobicContact CG1-CG2 3.6Å; I32-L68 HydrophobicContact CD1-CD2 4.15Å
33P91.4Very high92.1Very high81 Ų8144.5 Ų44.553%0.52623%0.234SC..Hα-helixtrans-61.5-39.5179-22.734000112.3I29 I30 T36 F37I29-P33 WeakPolarHBondContact O-CD 3.34Å; I29-P33 VanDerWaalsContact O-CG 3.31Å; I29-P33 WeakPolarHBondContact O-CG 3.34Å; I30-P33 WeakPolarHBondContact O-CD 3.35Å; P33-T36 PolarHBondContact O-N 3.02Å; P33-F37 WeakPolarHBondContact O-CB 3.42Å; P33-F37 PolarHBondContact O-N 3.48Å
34A89.6Confident91.8Very high22 Ų2243.3 Ų43.318%0.18223%0.23CC..Hα-helixtrans-71.5-43.8-173.900000111.9I30 S31 I32 F37 S38 P278I30-A34 WeakPolarHBondContact O-CB 3.36Å; I30-A34 PolarHBondContact O-N 3.49Å; S31-A34 PolarHBondContact O-N 3.26Å; I32-A34 VanDerWaalsContact C-N 3.28Å; I32-A34 PolarHBondContact O-N 3.3Å; A34-F37 PolarHBondContact O-N 3.3Å; A34-S38 PolarHBondContact O-N 3.36Å; A34-S38 PolarHBondContact O-OG 2.96Å; A34-P278 HydrophobicContact CB-CB 4.42Å; A34-P278 HydrophobicContact CB-CG 3.34Å
35N92.9Very high91.5Very high0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-72.5-30175.1-68.3-49.9000112.8S31 F37 S38 L39 L64 C274 D277S31-N35 VanDerWaalsContact O-CB 3.28Å; S31-N35 WeakPolarHBondContact O-CB 3.08Å; S31-N35 PolarHBondContact O-N 3.46Å; S31-N35 PolarHBondContact O-ND2 3.06Å; N35-F37 VanDerWaalsContact C-N 3.33Å; N35-S38 WeakPolarHBondContact O-CB 3.33Å; N35-S38 PolarHBondContact O-N 3.43Å; N35-L39 WeakPolarHBondContact O-CB 3.41Å; N35-L39 PolarHBondContact O-N 3.28Å; N35-L64 HydrophobicContact CB-CD1 4.35Å; N35-L64 HydrophobicContact CB-CD2 3.79Å; N35-L64 HydrophobicContact CB-CG 3.66Å; N35-C274 PolarHBondContact ND2-O 3.19Å; N35-D277 WeakPolarHBondContact OD1-CB 3.39Å; N35-D277 PolarHBondContact OD1-OD2 3.15Å
36T92.4Very high91.4Very high72 Ų7241.6 Ų41.644%0.44222%0.222SC..Hα-helixtrans-62.5-43.1170.3-58.60000111I32 P33 L39 Y40I32-T36 VanDerWaalsContact O-CB 3.27Å; I32-T36 WeakPolarHBondContact O-CB 3.32Å; I32-T36 PolarHBondContact O-N 2.94Å; I32-T36 PolarHBondContact O-OG1 2.97Å; P33-T36 PolarHBondContact O-N 3.02Å; T36-L39 PolarHBondContact O-N 3.18Å; T36-Y40 PolarHBondContact O-N 2.89Å
37F88.3Confident91.3Very high51 Ų5147.5 Ų47.522%0.22424%0.237CC..Hα-helixtrans-64.7-45.4174.5176.5-97.3000111.8P33 A34 N35 L39 Y40 V41 K291 V292 V295P33-F37 WeakPolarHBondContact O-CB 3.42Å; P33-F37 PolarHBondContact O-N 3.48Å; A34-F37 PolarHBondContact O-N 3.3Å; N35-F37 VanDerWaalsContact C-N 3.33Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 3.48Å; F37-Y40 WeakPolarHBondContact O-CB 3.49Å; F37-Y40 PolarHBondContact O-N 3.45Å; F37-V41 HydrophobicContact CD1-CG2 4.18Å; F37-V41 HydrophobicContact CD2-CG2 4.44Å; F37-V41 HydrophobicContact CE1-CG2 3.67Å; F37-V41 HydrophobicContact CE2-CG2 3.96Å; F37-V41 HydrophobicContact CZ-CG2 3.56Å; F37-V41 WeakPolarHBondContact O-CG2 3.31Å; F37-V41 PolarHBondContact O-N 2.87Å; F37-K291 HydrophobicContact CZ-CB 4.47Å; F37-V292 HydrophobicContact CD1-CG2 4.47Å; F37-V292 HydrophobicContact CE1-CG2 3.38Å; F37-V292 HydrophobicContact CZ-CG2 3.6Å; F37-V295 HydrophobicContact CE2-CG2 4.18Å
38S90.1Very high91Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-53.3-49.4173.6-71.50000111.5A34 N35 Y40 V41 S42 Y281A34-S38 PolarHBondContact O-N 3.36Å; A34-S38 PolarHBondContact O-OG 2.96Å; N35-S38 WeakPolarHBondContact O-CB 3.33Å; N35-S38 PolarHBondContact O-N 3.43Å; S38-Y40 PolarHBondContact O-N 3.42Å; S38-V41 PolarHBondContact O-N 3.24Å; S38-V41 VanDerWaalsContact O-N 3.14Å; S38-S42 PolarHBondContact O-N 2.68Å; S38-S42 PolarHBondContact O-OG 2.95Å; S38-Y281 PolarHBondContact O-OH 3.39Å; S38-Y281 WeakPolarHBondContact OG-CD2 3.38Å; S38-Y281 WeakPolarHBondContact OG-CE2 3.41Å
39L91.8Very high90.8Very high40 Ų4060.8 Ų60.821%0.20930%0.295CS..Hα-helixtrans-58.3-45.1177.9-164.278.4000111.9N35 T36 F37 V41 S42 C43 F57 A60 L61 L64N35-L39 WeakPolarHBondContact O-CB 3.41Å; N35-L39 PolarHBondContact O-N 3.28Å; T36-L39 PolarHBondContact O-N 3.18Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 3.48Å; L39-V41 PolarHBondContact O-N 3.36Å; L39-S42 WeakPolarHBondContact CA-OG 3.09Å; L39-S42 PolarHBondContact O-OG 3.26Å; L39-C43 WeakPolarHBondContact O-CB 3.5Å; L39-C43 PolarHBondContact O-N 3.31Å; L39-C43 PolarHBondContact O-SG 3.07Å; L39-C43 VanDerWaalsContact O-SG 3.36Å; L39-F57 HydrophobicContact CD1-CD2 3.44Å; L39-F57 VanDerWaalsContact CD1-CD2 3.44Å; L39-F57 HydrophobicContact CD1-CE1 4.49Å; L39-F57 HydrophobicContact CD1-CE2 3.4Å; L39-F57 HydrophobicContact CD1-CG 4.04Å; L39-F57 HydrophobicContact CD1-CZ 3.95Å; L39-F57 WeakPolarHBondContact CD1-O 3.34Å; L39-F57 HydrophobicContact CD2-CE2 4.48Å; L39-F57 HydrophobicContact CG-CD2 4.01Å; L39-F57 HydrophobicContact CG-CE2 3.78Å; L39-A60 HydrophobicContact CB-CB 4.3Å; L39-A60 HydrophobicContact CD1-CB 4.2Å; L39-L61 HydrophobicContact CD1-CB 4.09Å; L39-L64 HydrophobicContact CB-CD1 4.47Å; L39-L64 HydrophobicContact CD2-CD1 4.1Å
40Y89.6Confident90.6Very high129 Ų12957.7 Ų57.751%0.50628%0.28SS..Hα-helixtrans-60.2-45.4175170.7-104.6000111.7T36 F37 S38 C43 Q44T36-Y40 PolarHBondContact O-N 2.89Å; F37-Y40 WeakPolarHBondContact O-CB 3.49Å; F37-Y40 PolarHBondContact O-N 3.45Å; S38-Y40 PolarHBondContact O-N 3.42Å; Y40-C43 WeakPolarHBondContact O-CB 3.11Å; Y40-C43 PolarHBondContact O-N 3Å; Y40-Q44 HydrophobicContact CE1-CG 4.47Å; Y40-Q44 HydrophobicContact CE2-CG 4.47Å; Y40-Q44 WeakPolarHBondContact O-CG 3.19Å; Y40-Q44 PolarHBondContact O-N 3.42Å
41V86.1Confident90.6Very high2 Ų254 Ų541%0.01226%0.261CS..Hα-helixtrans-67.5-41.9-178.9173.20000111.8F37 S38 L39 Q44 H45 Y281F37-V41 HydrophobicContact CD1-CG2 4.18Å; F37-V41 HydrophobicContact CD2-CG2 4.44Å; F37-V41 HydrophobicContact CE1-CG2 3.67Å; F37-V41 HydrophobicContact CE2-CG2 3.96Å; F37-V41 HydrophobicContact CZ-CG2 3.56Å; F37-V41 WeakPolarHBondContact O-CG2 3.31Å; F37-V41 PolarHBondContact O-N 2.87Å; S38-V41 PolarHBondContact O-N 3.24Å; S38-V41 VanDerWaalsContact O-N 3.14Å; L39-V41 PolarHBondContact O-N 3.36Å; V41-Q44 WeakPolarHBondContact O-CB 3.25Å; V41-Q44 PolarHBondContact O-N 2.95Å; V41-H45 PolarHBondContact O-CD2 2.93Å; V41-H45 PolarHBondContact O-N 2.94Å; V41-H45 VanDerWaalsContact O-N 3.07Å; V41-Y281 HydrophobicContact CB-CD1 4.32Å; V41-Y281 HydrophobicContact CB-CE1 4.16Å; V41-Y281 HydrophobicContact CG1-CD1 3.78Å; V41-Y281 HydrophobicContact CG1-CE1 3.88Å
42S90.9Very high90.5Very high0 Ų054.2 Ų54.20%026%0.262CS..Hα-helixtrans-65.4-38.2175.827.80000112.3S38 L39 Q44 H45 I46 G53 F57 Y281S38-S42 PolarHBondContact O-N 2.68Å; S38-S42 PolarHBondContact O-OG 2.95Å; L39-S42 WeakPolarHBondContact CA-OG 3.09Å; L39-S42 PolarHBondContact O-OG 3.26Å; S42-Q44 PolarHBondContact O-N 2.99Å; S42-H45 CarbonylContact O-C 3.47Å; S42-H45 WeakPolarHBondContact O-CA 3.34Å; S42-H45 WeakPolarHBondContact O-CB 3.34Å; S42-H45 PolarHBondContact O-N 3.21Å; S42-I46 VanDerWaalsContact O-CG1 3.32Å; S42-I46 WeakPolarHBondContact O-CG1 3.32Å; S42-I46 PolarHBondContact O-N 2.91Å; S42-G53 WeakPolarHBondContact CB-O 3.3Å; S42-F57 WeakPolarHBondContact OG-CA 3.49Å; S42-Y281 WeakPolarHBondContact CB-OH 3.16Å; S42-Y281 PolarHBondContact OG-OH 3.29Å
43C91.3Very high90.4Very high44 Ų4451.8 Ų51.830%0.29725%0.25SS..Hα-helixtrans-53.5-42170.8-80.90000112.3L39 Y40 I46 R47 F57L39-C43 WeakPolarHBondContact O-CB 3.5Å; L39-C43 PolarHBondContact O-N 3.31Å; L39-C43 PolarHBondContact O-SG 3.07Å; L39-C43 VanDerWaalsContact O-SG 3.36Å; Y40-C43 WeakPolarHBondContact O-CB 3.11Å; Y40-C43 PolarHBondContact O-N 3Å; C43-I46 PolarHBondContact O-N 2.75Å; C43-R47 WeakPolarHBondContact O-CG 3.39Å; C43-R47 PolarHBondContact O-N 3.3Å; C43-R47 VanDerWaalsContact O-N 3.08Å; C43-F57 WeakPolarHBondContact SG-CE2 3.29Å
44Q88.9Confident90.6Very high40 Ų4048.2 Ų48.219%0.18723%0.227CC..Hα-helixtrans-67-37.7176-57.9-62.1-24.100111.9Y40 V41 S42 R47 Q48Y40-Q44 HydrophobicContact CE1-CG 4.47Å; Y40-Q44 HydrophobicContact CE2-CG 4.47Å; Y40-Q44 WeakPolarHBondContact O-CG 3.19Å; Y40-Q44 PolarHBondContact O-N 3.42Å; V41-Q44 WeakPolarHBondContact O-CB 3.25Å; V41-Q44 PolarHBondContact O-N 2.95Å; S42-Q44 PolarHBondContact O-N 2.99Å; Q44-R47 PolarHBondContact O-N 3.48Å; Q44-Q48 VanDerWaalsContact O-CG 3.31Å; Q44-Q48 WeakPolarHBondContact O-CG 3.41Å; Q44-Q48 PolarHBondContact O-N 2.83Å; Q44-Q48 VanDerWaalsContact O-N 3.08Å
45H87.7Confident90.9Very high10 Ų1047.6 Ų47.65%0.04622%0.22CC..Hα-helixtrans-66.8-40.4175.6-81.4-54.9000112.9V41 S42 R47 Q48 K49 N50 T285V41-H45 PolarHBondContact O-CD2 2.93Å; V41-H45 PolarHBondContact O-N 2.94Å; V41-H45 VanDerWaalsContact O-N 3.07Å; S42-H45 CarbonylContact O-C 3.47Å; S42-H45 WeakPolarHBondContact O-CA 3.34Å; S42-H45 WeakPolarHBondContact O-CB 3.34Å; S42-H45 PolarHBondContact O-N 3.21Å; H45-R47 VanDerWaalsContact C-N 3.32Å; H45-R47 PolarHBondContact O-N 3.15Å; H45-Q48 CarbonylContact O-C 3.59Å; H45-Q48 WeakPolarHBondContact O-CA 3.43Å; H45-Q48 WeakPolarHBondContact O-CB 3.49Å; H45-Q48 PolarHBondContact O-N 3.36Å; H45-Q48 VanDerWaalsContact O-N 3.07Å; H45-K49 PolarHBondContact O-N 3.03Å; H45-N50 HydrophobicContact CB-CB 4.16Å; H45-N50 WeakPolarHBondContact O-CB 3.25Å; H45-N50 PolarHBondContact O-N 3.39Å; H45-T285 WeakPolarHBondContact CE1-CG2 3.39Å; H45-T285 WeakPolarHBondContact NE2-CG2 3.45Å; H45-T285 PolarHBondContact NE2-OG1 3.06Å
46I92.2Very high90.9Very high51 Ų5147.7 Ų47.726%0.26222%0.22SC..Hα-helixtrans-60.8-44.1174.7-65.4167.9000109.9S42 C43 Q48 K49 V54 F57 V130S42-I46 VanDerWaalsContact O-CG1 3.32Å; S42-I46 WeakPolarHBondContact O-CG1 3.32Å; S42-I46 PolarHBondContact O-N 2.91Å; C43-I46 PolarHBondContact O-N 2.75Å; I46-Q48 PolarHBondContact O-N 2.87Å; I46-K49 WeakPolarHBondContact O-CA 3.42Å; I46-K49 PolarHBondContact O-N 2.96Å; I46-V54 HydrophobicContact CD1-CG2 4.3Å; I46-V54 HydrophobicContact CG1-CG2 3.94Å; I46-F57 HydrophobicContact CD1-CB 3.81Å; I46-F57 HydrophobicContact CD1-CD2 4.32Å; I46-F57 HydrophobicContact CD1-CG 4.08Å; I46-V130 HydrophobicContact CG2-CG1 4.07Å
47R91.1Very high91.1Very high192 Ų19246.6 Ų46.673%0.72521%0.209SC*.Hα-helixtrans-60.3-32.1174-73.9175.2174.1171.5-1.8113C43 Q44 H45 K49C43-R47 WeakPolarHBondContact O-CG 3.39Å; C43-R47 PolarHBondContact O-N 3.3Å; C43-R47 VanDerWaalsContact O-N 3.08Å; Q44-R47 PolarHBondContact O-N 3.48Å; H45-R47 VanDerWaalsContact C-N 3.32Å; H45-R47 PolarHBondContact O-N 3.15Å; R47-K49 PolarHBondContact O-N 3.05Å
48Q89.5Confident91.5Very high117 Ų11745.6 Ų45.655%0.54721%0.205SC..THydrogen-bonded Turntrans-81.511.8173.2-67.3172.53.900113.4Q44 H45 I46 N50Q44-Q48 VanDerWaalsContact O-CG 3.31Å; Q44-Q48 WeakPolarHBondContact O-CG 3.41Å; Q44-Q48 PolarHBondContact O-N 2.83Å; Q44-Q48 VanDerWaalsContact O-N 3.08Å; H45-Q48 CarbonylContact O-C 3.59Å; H45-Q48 WeakPolarHBondContact O-CA 3.43Å; H45-Q48 WeakPolarHBondContact O-CB 3.49Å; H45-Q48 PolarHBondContact O-N 3.36Å; H45-Q48 VanDerWaalsContact O-N 3.07Å; I46-Q48 PolarHBondContact O-N 2.87Å; Q48-N50 PolarHBondContact O-N 3.28Å
49K90.5Very high91.7Very high180 Ų18045.6 Ų45.678%0.78321%0.205SC*.THydrogen-bonded Turntrans59.826-178.5-56.6-177.5177.6179.50114.2H45 I46 R47H45-K49 PolarHBondContact O-N 3.03Å; I46-K49 WeakPolarHBondContact O-CA 3.42Å; I46-K49 PolarHBondContact O-N 2.96Å; R47-K49 PolarHBondContact O-N 3.05Å
50N89Confident91.9Very high43 Ų4343.7 Ų43.723%0.2320%0.195CC..  trans-86.7113174.4-175.7-8.5000110H45 Q48 L52 G53H45-N50 HydrophobicContact CB-CB 4.16Å; H45-N50 WeakPolarHBondContact O-CB 3.25Å; H45-N50 PolarHBondContact O-N 3.39Å; Q48-N50 PolarHBondContact O-N 3.28Å; N50-L52 VanDerWaalsContact C-N 3.28Å; N50-L52 PolarHBondContact O-N 3.01Å; N50-L52 WeakPolarHBondContact OD1-CB 3.22Å; N50-L52 PolarHBondContact OD1-N 3.48Å; N50-L52 VanDerWaalsContact OD1-N 3.07Å; N50-G53 PolarHBondContact O-N 3.42Å
51D91.7Very high92.2Very high9 Ų940.4 Ų40.45%0.04819%0.186CC..THydrogen-bonded Turntrans-59.7-34.9179.861-75.3000113.1G53 V54 N113 A133D51-G53 PolarHBondContact O-N 3.45Å; D51-V54 WeakPolarHBondContact O-CB 3.42Å; D51-V54 PolarHBondContact O-N 2.91Å; D51-N113 PolarHBondContact OD2-ND2 2.98Å; D51-N113 PolarHBondContact OD2-OD1 2.92Å; D51-A133 HydrophobicContact CB-CB 4.19Å
52L91.4Very high92.7Very high4 Ų440.4 Ų40.42%0.02119%0.186CC..Hα-helixtrans-61.5-29.4176.5-177.161.5000111.9N50 V54 Y55 L56 I110 I284N50-L52 VanDerWaalsContact C-N 3.28Å; N50-L52 PolarHBondContact O-N 3.01Å; N50-L52 WeakPolarHBondContact OD1-CB 3.22Å; N50-L52 PolarHBondContact OD1-N 3.48Å; N50-L52 VanDerWaalsContact OD1-N 3.07Å; L52-V54 PolarHBondContact O-N 3.47Å; L52-Y55 PolarHBondContact O-N 2.91Å; L52-L56 HydrophobicContact CD1-CG 4.47Å; L52-L56 HydrophobicContact CG-CD1 3.97Å; L52-L56 HydrophobicContact CG-CG 4.37Å; L52-L56 WeakPolarHBondContact O-CG 3.23Å; L52-L56 PolarHBondContact O-N 3.45Å; L52-I110 HydrophobicContact CD1-CB 4.33Å; L52-I110 HydrophobicContact CD1-CG1 3.93Å; L52-I110 HydrophobicContact CD1-CG2 4.06Å; L52-I284 HydrophobicContact CD2-CB 4.42Å; L52-I284 HydrophobicContact CD2-CD1 4.24Å; L52-I284 HydrophobicContact CD2-CG1 4.23Å; L52-I284 HydrophobicContact CD2-CG2 3.32Å; L52-I284 HydrophobicContact CG-CG2 4.32Å
53G91.9Very high92.9Very high1 Ų140.4 Ų40.41%0.0119%0.186CC..Hα-helixtrans-59.9-29.317500000112.7S42 N50 D51 F57S42-G53 WeakPolarHBondContact CB-O 3.3Å; N50-G53 PolarHBondContact O-N 3.42Å; D51-G53 PolarHBondContact O-N 3.45Å; G53-F57 VanDerWaalsContact O-CB 3.29Å; G53-F57 WeakPolarHBondContact O-CB 3.39Å; G53-F57 PolarHBondContact O-N 3.44Å
54V96.2Very high93.1Very high5 Ų539.2 Ų39.23%0.0318%0.177CC..Hα-helixtrans-70.2-49179.4-177.40000111.2I46 D51 L52 L56 F57 H58 V130 A133 A134I46-V54 HydrophobicContact CD1-CG2 4.3Å; I46-V54 HydrophobicContact CG1-CG2 3.94Å; D51-V54 WeakPolarHBondContact O-CB 3.42Å; D51-V54 PolarHBondContact O-N 2.91Å; L52-V54 PolarHBondContact O-N 3.47Å; V54-L56 VanDerWaalsContact C-N 3.32Å; V54-L56 PolarHBondContact O-N 2.91Å; V54-F57 WeakPolarHBondContact O-CB 3.47Å; V54-F57 PolarHBondContact O-N 2.71Å; V54-F57 VanDerWaalsContact O-N 3.17Å; V54-H58 PolarHBondContact O-CD2 3.36Å; V54-H58 PolarHBondContact O-N 3.29Å; V54-H58 VanDerWaalsContact O-N 3.1Å; V54-V130 HydrophobicContact CG2-CB 4.43Å; V54-V130 HydrophobicContact CG2-CG1 3.77Å; V54-A133 HydrophobicContact CB-CB 3.85Å; V54-A133 HydrophobicContact CG1-CB 4.15Å; V54-A133 HydrophobicContact CG2-CB 4.06Å; V54-A134 HydrophobicContact CG1-CB 4.3Å
55Y95.4Very high93.3Very high10 Ų1040.6 Ų40.64%0.03919%0.188CC..Hα-helixtrans-62.5-42179.4-57.2-53.3000111.6L52 F57 H58 L59 F106 C109 N113 A133 I136L52-Y55 PolarHBondContact O-N 2.91Å; Y55-F57 VanDerWaalsContact C-N 3.3Å; Y55-F57 PolarHBondContact O-N 2.81Å; Y55-H58 PolarHBondContact O-N 3.37Å; Y55-L59 WeakPolarHBondContact O-CB 3.36Å; Y55-L59 PolarHBondContact O-N 2.81Å; Y55-F106 HydrophobicContact CD1-CD1 4.05Å; Y55-F106 HydrophobicContact CD1-CE1 4.38Å; Y55-C109 HydrophobicContact CD1-CB 3.67Å; Y55-C109 HydrophobicContact CD2-CB 4.23Å; Y55-C109 HydrophobicContact CE1-CB 3.74Å; Y55-C109 HydrophobicContact CE2-CB 4.3Å; Y55-C109 HydrophobicContact CG-CB 3.93Å; Y55-N113 HydrophobicContact CE2-CB 4.17Å; Y55-A133 HydrophobicContact CE1-CB 4.01Å; Y55-A133 HydrophobicContact CE2-CB 4.05Å; Y55-I136 HydrophobicContact CE1-CB 4.4Å; Y55-I136 HydrophobicContact CE1-CG2 4.12Å
56L93.8Very high93.6Very high1 Ų140.6 Ų40.61%0.00519%0.188CC..Hα-helixtrans-70.9-25.5177.9-59.6165.9000113.3L52 V54 A60 I110 Y281 I284L52-L56 HydrophobicContact CD1-CG 4.47Å; L52-L56 HydrophobicContact CG-CD1 3.97Å; L52-L56 HydrophobicContact CG-CG 4.37Å; L52-L56 WeakPolarHBondContact O-CG 3.23Å; L52-L56 PolarHBondContact O-N 3.45Å; V54-L56 VanDerWaalsContact C-N 3.32Å; V54-L56 PolarHBondContact O-N 2.91Å; L56-A60 WeakPolarHBondContact O-CB 3.43Å; L56-A60 PolarHBondContact O-N 3.32Å; L56-I110 HydrophobicContact CD2-CD1 3.6Å; L56-I110 HydrophobicContact CD2-CG1 4.38Å; L56-I110 HydrophobicContact CG-CD1 4.38Å; L56-Y281 HydrophobicContact CB-CE1 4.03Å; L56-Y281 HydrophobicContact CB-CE2 3.96Å; L56-Y281 VanDerWaalsContact CB-CZ 3.42Å; L56-Y281 WeakPolarHBondContact CB-OH 3.03Å; L56-Y281 HydrophobicContact CD1-CD1 4.07Å; L56-Y281 HydrophobicContact CD1-CE1 3.62Å; L56-Y281 HydrophobicContact CD1-CE2 4.4Å; L56-Y281 HydrophobicContact CD2-CE2 4.2Å; L56-Y281 HydrophobicContact CG-CE1 4.38Å; L56-Y281 HydrophobicContact CG-CE2 4.44Å; L56-Y281 PolarHBondContact O-OH 3.38Å; L56-Y281 VanDerWaalsContact O-OH 3.1Å; L56-I284 HydrophobicContact CD1-CD1 3.8Å; L56-I284 HydrophobicContact CD1-CG2 4.24Å; L56-I284 HydrophobicContact CD2-CD1 3.61Å; L56-I284 HydrophobicContact CG-CD1 4.24Å
57F95.1Very high93.7Very high49 Ų4938.2 Ų38.222%0.21518%0.176CC..Hα-helixtrans-67.5-49.2172.6175.2-90.6000110.5L39 S42 C43 I46 G53 V54 Y55 A60 L61L39-F57 HydrophobicContact CD1-CD2 3.44Å; L39-F57 VanDerWaalsContact CD1-CD2 3.44Å; L39-F57 HydrophobicContact CD1-CE1 4.49Å; L39-F57 HydrophobicContact CD1-CE2 3.4Å; L39-F57 HydrophobicContact CD1-CG 4.04Å; L39-F57 HydrophobicContact CD1-CZ 3.95Å; L39-F57 WeakPolarHBondContact CD1-O 3.34Å; L39-F57 HydrophobicContact CD2-CE2 4.48Å; L39-F57 HydrophobicContact CG-CD2 4.01Å; L39-F57 HydrophobicContact CG-CE2 3.78Å; S42-F57 WeakPolarHBondContact OG-CA 3.49Å; C43-F57 WeakPolarHBondContact SG-CE2 3.29Å; I46-F57 HydrophobicContact CD1-CB 3.81Å; I46-F57 HydrophobicContact CD1-CD2 4.32Å; I46-F57 HydrophobicContact CD1-CG 4.08Å; G53-F57 VanDerWaalsContact O-CB 3.29Å; G53-F57 WeakPolarHBondContact O-CB 3.39Å; G53-F57 PolarHBondContact O-N 3.44Å; V54-F57 WeakPolarHBondContact O-CB 3.47Å; V54-F57 PolarHBondContact O-N 2.71Å; V54-F57 VanDerWaalsContact O-N 3.17Å; Y55-F57 VanDerWaalsContact C-N 3.3Å; Y55-F57 PolarHBondContact O-N 2.81Å; F57-A60 PolarHBondContact O-N 2.67Å; F57-L61 HydrophobicContact CE1-CD2 4.11Å; F57-L61 VanDerWaalsContact O-CB 3.31Å; F57-L61 WeakPolarHBondContact O-CB 3.4Å; F57-L61 PolarHBondContact O-N 2.8Å
58H96.8Very high93.8Very high30 Ų3034.1 Ų34.114%0.13917%0.168CC..Hα-helixtrans-70-33-179.1-75.8-77.6000113V54 Y55 L61 S62 F106 S137 W141V54-H58 PolarHBondContact O-CD2 3.36Å; V54-H58 PolarHBondContact O-N 3.29Å; V54-H58 VanDerWaalsContact O-N 3.1Å; Y55-H58 PolarHBondContact O-N 3.37Å; H58-L61 PolarHBondContact O-N 2.97Å; H58-S62 VanDerWaalsContact O-CB 3.27Å; H58-S62 WeakPolarHBondContact O-CB 3.14Å; H58-S62 PolarHBondContact O-N 2.86Å; H58-F106 HydrophobicContact CB-CD1 4.29Å; H58-F106 HydrophobicContact CB-CD2 4.03Å; H58-F106 HydrophobicContact CB-CE1 3.72Å; H58-F106 HydrophobicContact CB-CE2 3.43Å; H58-F106 VanDerWaalsContact CB-CE2 3.43Å; H58-F106 HydrophobicContact CB-CG 4.46Å; H58-F106 HydrophobicContact CB-CZ 3.28Å; H58-F106 AromaticContact CG-CZ 3.88Å; H58-S137 WeakPolarHBondContact CD2-CB 3.03Å; H58-W141 AromaticContact CE1-NE1 3.93Å; H58-W141 AromaticContact CG-NE1 3.73Å; H58-W141 AromaticContact ND1-CD1 3.75Å; H58-W141 AromaticContact ND1-NE1 3.1Å; H58-W141 PolarHBondContact ND1-NE1 3.25Å; H58-W141 VanDerWaalsContact ND1-NE1 3.1Å
59L95.4Very high93.8Very high0 Ų029.2 Ų29.20%015%0.149CC..Hα-helixtrans-60.2-52.7171.4-172.962.3000110.8Y55 L61 S62 D63 S103 F106 L107 I110 D277 L280Y55-L59 WeakPolarHBondContact O-CB 3.36Å; Y55-L59 PolarHBondContact O-N 2.81Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 3.39Å; L59-S62 WeakPolarHBondContact O-CB 3.34Å; L59-S62 PolarHBondContact O-N 3.44Å; L59-S62 VanDerWaalsContact O-N 3.15Å; L59-D63 PolarHBondContact O-N 3.46Å; L59-S103 VanDerWaalsContact CD1-CA 3.49Å; L59-F106 HydrophobicContact CB-CB 4.16Å; L59-F106 HydrophobicContact CD1-CB 4.12Å; L59-L107 HydrophobicContact CD2-CD2 4.16Å; L59-I110 HydrophobicContact CD2-CD1 4.02Å; L59-D277 WeakPolarHBondContact CD2-OD1 3.31Å; L59-D277 VanDerWaalsContact CG-OD1 3.25Å; L59-D277 WeakPolarHBondContact CG-OD1 3.32Å; L59-D277 WeakPolarHBondContact CG-OD2 3.45Å; L59-L280 HydrophobicContact CD2-CD1 3.86Å
60A95.5Very high93.7Very high0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-62.8-37.9177.800000113L39 L56 F57 D63 L64 D277L39-A60 HydrophobicContact CB-CB 4.3Å; L39-A60 HydrophobicContact CD1-CB 4.2Å; L56-A60 WeakPolarHBondContact O-CB 3.43Å; L56-A60 PolarHBondContact O-N 3.32Å; F57-A60 PolarHBondContact O-N 2.67Å; A60-D63 PolarHBondContact O-N 2.84Å; A60-L64 WeakPolarHBondContact O-CB 3.45Å; A60-L64 VanDerWaalsContact O-CG 3.29Å; A60-L64 WeakPolarHBondContact O-CG 3.45Å; A60-L64 PolarHBondContact O-N 3.06Å; A60-D277 WeakPolarHBondContact CA-OD2 3.46Å; A60-D277 PolarHBondContact N-OD2 3.16Å
61L96.2Very high93.6Very high61 Ų6121.6 Ų21.632%0.31912%0.121SC..Hα-helixtrans-63.5-43.1175.7178.362.8000111.4L39 F57 H58 L59 T65L39-L61 HydrophobicContact CD1-CB 4.09Å; F57-L61 HydrophobicContact CE1-CD2 4.11Å; F57-L61 VanDerWaalsContact O-CB 3.31Å; F57-L61 WeakPolarHBondContact O-CB 3.4Å; F57-L61 PolarHBondContact O-N 2.8Å; H58-L61 PolarHBondContact O-N 2.97Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 3.39Å; L61-T65 WeakPolarHBondContact O-CB 3.35Å; L61-T65 PolarHBondContact O-N 3.05Å; L61-T65 PolarHBondContact O-OG1 3.47Å
62S96.1Very high93.4Very high1 Ų124.4 Ų24.41%0.00714%0.135CC..Hα-helixtrans-61-49.9176.6-1750000110.9H58 L59 L64 T65 F66 N99 T102H58-S62 VanDerWaalsContact O-CB 3.27Å; H58-S62 WeakPolarHBondContact O-CB 3.14Å; H58-S62 PolarHBondContact O-N 2.86Å; L59-S62 WeakPolarHBondContact O-CB 3.34Å; L59-S62 PolarHBondContact O-N 3.44Å; L59-S62 VanDerWaalsContact O-N 3.15Å; S62-L64 PolarHBondContact O-N 2.94Å; S62-T65 PolarHBondContact O-N 3.11Å; S62-F66 PolarHBondContact O-N 3.3Å; S62-N99 PolarHBondContact O-ND2 3.05Å; S62-N99 VanDerWaalsContact O-ND2 3.17Å; S62-N99 VanDerWaalsContact OG-CA 3.26Å; S62-N99 WeakPolarHBondContact OG-CA 3.46Å; S62-N99 PolarHBondContact OG-ND2 3.28Å; S62-T102 PolarHBondContact OG-OG1 3.29Å
63D95.5Very high93.1Very high0 Ų025.5 Ų25.50%014%0.139CC..Hα-helixtrans-65.6-36.2-178.9-74.5-18.2000112.9L59 A60 T67 N99 S103 N273 C274L59-D63 PolarHBondContact O-N 3.46Å; A60-D63 PolarHBondContact O-N 2.84Å; D63-T67 VanDerWaalsContact O-CB 3.29Å; D63-T67 WeakPolarHBondContact O-CB 3.25Å; D63-T67 PolarHBondContact O-N 3.07Å; D63-T67 PolarHBondContact O-OG1 3.47Å; D63-N99 WeakPolarHBondContact CA-ND2 3.34Å; D63-N99 PolarHBondContact N-ND2 3.37Å; D63-N99 PolarHBondContact OD1-ND2 2.93Å; D63-S103 PolarHBondContact OD1-OG 3Å; D63-N273 PolarHBondContact OD1-ND2 2.91Å; D63-N273 VanDerWaalsContact OD1-ND2 3.16Å; D63-N273 PolarHBondContact OD2-ND2 3.38Å; D63-C274 HydrophobicContact CB-CB 4.08Å; D63-C274 PolarHBondContact OD1-SG 3.45Å; D63-C274 VanDerWaalsContact OD1-SG 3.36Å; D63-C274 WeakPolarHBondContact OD2-CA 3.36Å
64L95Very high93Very high20 Ų2027.1 Ų27.111%0.10515%0.147CC..Hα-helixtrans-63-45.9171.9-77.3169.3000111.7N35 L39 A60 S62 F66 T67 L68N35-L64 HydrophobicContact CB-CD1 4.35Å; N35-L64 HydrophobicContact CB-CD2 3.79Å; N35-L64 HydrophobicContact CB-CG 3.66Å; L39-L64 HydrophobicContact CB-CD1 4.47Å; L39-L64 HydrophobicContact CD2-CD1 4.1Å; A60-L64 WeakPolarHBondContact O-CB 3.45Å; A60-L64 VanDerWaalsContact O-CG 3.29Å; A60-L64 WeakPolarHBondContact O-CG 3.45Å; A60-L64 PolarHBondContact O-N 3.06Å; S62-L64 PolarHBondContact O-N 2.94Å; L64-F66 VanDerWaalsContact C-N 3.32Å; L64-F66 PolarHBondContact O-N 3.22Å; L64-T67 PolarHBondContact O-N 3.08Å; L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.44Å; L64-L68 PolarHBondContact O-N 2.96Å
65T93.9Very high92.5Very high69 Ų6928.9 Ų28.942%0.42316%0.156SC..Hα-helixtrans-61.2-44-179.5-54.60000110.8L61 S62 G69L61-T65 WeakPolarHBondContact O-CB 3.35Å; L61-T65 PolarHBondContact O-N 3.05Å; L61-T65 PolarHBondContact O-OG1 3.47Å; S62-T65 PolarHBondContact O-N 3.11Å; T65-G69 PolarHBondContact O-N 2.88Å; T65-G69 VanDerWaalsContact O-N 3.11Å
66F94Very high92Very high10 Ų1030.1 Ų30.14%0.04416%0.162CC..Hα-helixtrans-63.9-48174.3170.7-104.9000112.7S62 L64 L68 G69 L70 L96 N99 T271 C274S62-F66 PolarHBondContact O-N 3.3Å; L64-F66 VanDerWaalsContact C-N 3.32Å; L64-F66 PolarHBondContact O-N 3.22Å; F66-L68 VanDerWaalsContact C-N 3.28Å; F66-L68 PolarHBondContact O-N 3.41Å; F66-G69 CarbonylContact O-C 3.58Å; F66-G69 WeakPolarHBondContact O-CA 3.48Å; F66-G69 PolarHBondContact O-N 2.9Å; F66-L70 HydrophobicContact CE1-CD2 4.2Å; F66-L70 HydrophobicContact CZ-CD1 4.21Å; F66-L70 HydrophobicContact CZ-CD2 4.44Å; F66-L70 WeakPolarHBondContact O-CB 3.23Å; F66-L70 PolarHBondContact O-N 3.3Å; F66-L96 HydrophobicContact CD2-CB 4.41Å; F66-L96 HydrophobicContact CE2-CB 4.19Å; F66-L96 HydrophobicContact CE2-CD1 4.14Å; F66-L96 HydrophobicContact CE2-CG 3.95Å; F66-N99 HydrophobicContact CB-CB 3.56Å; F66-N99 HydrophobicContact CD2-CB 4.31Å; F66-N99 HydrophobicContact CG-CB 4.1Å; F66-T271 HydrophobicContact CE1-CG2 3.8Å; F66-T271 HydrophobicContact CZ-CG2 3.62Å; F66-C274 VanDerWaalsContact CD1-SG 3.54Å
67T94Very high91.4Very high0 Ų031.5 Ų31.50%017%0.169CC..Hα-helixtrans-63.7-36-176.6-54.90000111.9I28 I32 D63 L64 L70 S71I28-T67 HydrophobicContact CB-CG2 4.18Å; I28-T67 HydrophobicContact CG1-CG2 3.94Å; I28-T67 HydrophobicContact CG2-CG2 4.29Å; I32-T67 HydrophobicContact CD1-CG2 4.17Å; I32-T67 HydrophobicContact CG1-CG2 3.6Å; D63-T67 VanDerWaalsContact O-CB 3.29Å; D63-T67 WeakPolarHBondContact O-CB 3.25Å; D63-T67 PolarHBondContact O-N 3.07Å; D63-T67 PolarHBondContact O-OG1 3.47Å; L64-T67 PolarHBondContact O-N 3.08Å; T67-L70 WeakPolarHBondContact O-CB 3.49Å; T67-L70 PolarHBondContact O-N 3.4Å; T67-S71 PolarHBondContact O-N 3.06Å; T67-S71 PolarHBondContact O-OG 3.33Å
68L91.8Very high90.9Very high106 Ų10637.8 Ų37.856%0.55519%0.192SC*.Hα-helixtrans-64.9-43.5171.8-69.4172.7000111.2I32 L64 F66 L70 S71I32-L68 HydrophobicContact CD1-CD2 4.15Å; L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.44Å; L64-L68 PolarHBondContact O-N 2.96Å; F66-L68 VanDerWaalsContact C-N 3.28Å; F66-L68 PolarHBondContact O-N 3.41Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 2.91Å; L68-S71 VanDerWaalsContact O-CB 3.27Å; L68-S71 WeakPolarHBondContact O-CB 3.32Å; L68-S71 PolarHBondContact O-N 3.24Å
69G89.5Confident90.2Very high15 Ų1543.1 Ų43.116%0.15521%0.211CC..Hα-helixtrans-62-37.2172.800000113.3T65 F66 S71 L72 W73T65-G69 PolarHBondContact O-N 2.88Å; T65-G69 VanDerWaalsContact O-N 3.11Å; F66-G69 CarbonylContact O-C 3.58Å; F66-G69 WeakPolarHBondContact O-CA 3.48Å; F66-G69 PolarHBondContact O-N 2.9Å; G69-S71 PolarHBondContact O-N 3.41Å; G69-L72 WeakPolarHBondContact O-CB 3.16Å; G69-L72 PolarHBondContact O-N 3.08Å; G69-W73 PolarHBondContact O-N 2.89Å
70L89.5Confident89.3Confident9 Ų944.7 Ų44.75%0.04723%0.226CC..Hα-helixtrans-60.7-26.7176.4-17265.7000112.1Y24 V27 I28 F66 T67 L68 L72 W73 M74Y24-L70 HydrophobicContact CD1-CD1 3.99Å; Y24-L70 HydrophobicContact CD1-CD2 3.9Å; Y24-L70 HydrophobicContact CD1-CG 4.41Å; Y24-L70 HydrophobicContact CE1-CD1 4.31Å; Y24-L70 HydrophobicContact CG-CD1 4.39Å; V27-L70 HydrophobicContact CG1-CD2 4.36Å; I28-L70 HydrophobicContact CD1-CB 4.45Å; I28-L70 HydrophobicContact CD1-CD2 4.31Å; I28-L70 HydrophobicContact CD1-CG 4.17Å; I28-L70 HydrophobicContact CG1-CB 4.48Å; I28-L70 HydrophobicContact CG1-CD2 3.95Å; I28-L70 HydrophobicContact CG1-CG 4.29Å; F66-L70 HydrophobicContact CE1-CD2 4.2Å; F66-L70 HydrophobicContact CZ-CD1 4.21Å; F66-L70 HydrophobicContact CZ-CD2 4.44Å; F66-L70 WeakPolarHBondContact O-CB 3.23Å; F66-L70 PolarHBondContact O-N 3.3Å; T67-L70 WeakPolarHBondContact O-CB 3.49Å; T67-L70 PolarHBondContact O-N 3.4Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 2.91Å; L70-L72 VanDerWaalsContact C-N 3.28Å; L70-L72 PolarHBondContact O-N 3.4Å; L70-W73 HydrophobicContact CD1-CB 4.25Å; L70-W73 WeakPolarHBondContact O-CB 3.15Å; L70-W73 PolarHBondContact O-N 3.1Å; L70-W73 VanDerWaalsContact O-N 3.15Å; L70-M74 PolarHBondContact O-N 3.28Å
71S87.6Confident88.6Confident54 Ų5447.6 Ų47.638%0.37824%0.244SC..Hα-helixtrans-65.2-30.6174.8-55.40000112.5T67 L68 G69 M74T67-S71 PolarHBondContact O-N 3.06Å; T67-S71 PolarHBondContact O-OG 3.33Å; L68-S71 VanDerWaalsContact O-CB 3.27Å; L68-S71 WeakPolarHBondContact O-CB 3.32Å; L68-S71 PolarHBondContact O-N 3.24Å; G69-S71 PolarHBondContact O-N 3.41Å; S71-M74 WeakPolarHBondContact O-CB 3.4Å; S71-M74 PolarHBondContact O-N 3.34Å
72L86.6Confident88.1Confident67 Ų6744.7 Ų44.735%0.35123%0.229SC..Hα-helixtrans-68.8-40.7170.9-98.6154.8000111.4G69 L70 M74 D75 V88G69-L72 WeakPolarHBondContact O-CB 3.16Å; G69-L72 PolarHBondContact O-N 3.08Å; L70-L72 VanDerWaalsContact C-N 3.28Å; L70-L72 PolarHBondContact O-N 3.4Å; L72-M74 PolarHBondContact O-N 3.17Å; L72-D75 PolarHBondContact O-N 3.42Å; L72-D75 VanDerWaalsContact O-N 3.16Å; L72-V88 HydrophobicContact CD1-CG1 4.14Å; L72-V88 HydrophobicContact CD2-CG1 4.28Å
73W85.9Confident87.8Confident27 Ų2748.6 Ų48.610%0.10225%0.253CS..Hα-helixtrans-61.8-24176.6-73.692.9000113.4G69 L70 D75 F76 L77 W82 I93 C167 Y168G69-W73 PolarHBondContact O-N 2.89Å; L70-W73 HydrophobicContact CD1-CB 4.25Å; L70-W73 WeakPolarHBondContact O-CB 3.15Å; L70-W73 PolarHBondContact O-N 3.1Å; L70-W73 VanDerWaalsContact O-N 3.15Å; W73-D75 VanDerWaalsContact C-N 3.34Å; W73-D75 PolarHBondContact O-N 3Å; W73-F76 AromaticContact CE3-CD1 3.83Å; W73-F76 HydrophobicContact CE3-CD1 3.83Å; W73-F76 HydrophobicContact CE3-CE1 4.44Å; W73-F76 AromaticContact CZ3-CD1 3.99Å; W73-F76 HydrophobicContact CZ3-CD1 3.99Å; W73-F76 HydrophobicContact CZ3-CE1 4.2Å; W73-F76 WeakPolarHBondContact O-CB 3.39Å; W73-F76 PolarHBondContact O-N 3.36Å; W73-L77 WeakPolarHBondContact O-CB 3.49Å; W73-L77 VanDerWaalsContact O-CG 3.32Å; W73-L77 WeakPolarHBondContact O-CG 3.2Å; W73-L77 PolarHBondContact O-N 2.83Å; W73-W82 HydrophobicContact CD2-CZ3 4.41Å; W73-W82 HydrophobicContact CE3-CZ3 4.38Å; W73-I93 HydrophobicContact CZ2-CG1 4.33Å; W73-C167 HydrophobicContact CH2-CB 4.47Å; W73-Y168 HydrophobicContact CH2-CG 4.4Å
74M88.9Confident87.4Confident36 Ų3651.3 Ų51.318%0.17727%0.265CS..Hα-helixtrans-63.6-37.2175.6-71.7-65.8-66.600112.7L21 L25 I28 L70 S71 L72 L77 W78L21-M74 HydrophobicContact CB-CE 4.27Å; L21-M74 HydrophobicContact CD2-CE 3.55Å; L21-M74 HydrophobicContact CD2-SD 4.01Å; L21-M74 WeakPolarHBondContact O-CE 3.22Å; L25-M74 HydrophobicContact CB-CE 4.01Å; I28-M74 HydrophobicContact CD1-CG 3.82Å; L70-M74 PolarHBondContact O-N 3.28Å; S71-M74 WeakPolarHBondContact O-CB 3.4Å; S71-M74 PolarHBondContact O-N 3.34Å; L72-M74 PolarHBondContact O-N 3.17Å; M74-L77 PolarHBondContact O-N 3.48Å; M74-L77 HydrophobicContact SD-CD1 4.35Å; M74-W78 WeakPolarHBondContact O-CB 3.41Å; M74-W78 PolarHBondContact O-N 2.87Å
75D86.7Confident87.2Confident42 Ų4251.8 Ų51.823%0.22528%0.275CS..Hα-helixtrans-66.2-42.7175.8-174.778000110.6L72 W73 W78 R79 H84L72-D75 PolarHBondContact O-N 3.42Å; L72-D75 VanDerWaalsContact O-N 3.16Å; W73-D75 VanDerWaalsContact C-N 3.34Å; W73-D75 PolarHBondContact O-N 3Å; D75-W78 WeakPolarHBondContact O-CB 3.34Å; D75-W78 PolarHBondContact O-N 3.38Å; D75-R79 WeakPolarHBondContact O-CG 3.28Å; D75-R79 PolarHBondContact O-N 3.34Å; D75-R79 IonicContact OD1-CZ 3.14Å; D75-R79 IonicContact OD1-NE 2.9Å; D75-R79 PolarHBondContact OD1-NE 2.9Å; D75-R79 IonicContact OD1-NH2 3.66Å; D75-R79 PolarHBondContact OD1-NH2 3.06Å; D75-R79 VanDerWaalsContact OD1-NH2 3.14Å; D75-R79 VanDerWaalsContact OD2-CD 3.24Å; D75-R79 WeakPolarHBondContact OD2-CD 3.37Å; D75-R79 IonicContact OD2-CZ 3.43Å; D75-R79 IonicContact OD2-NE 2.61Å; D75-R79 PolarHBondContact OD2-NE 3.28Å; D75-H84 IonicContact OD2-CE1 3.36Å; D75-H84 IonicContact OD2-NE2 3.58Å; D75-H84 PolarHBondContact OD2-NE2 2.88Å
76F83.4Confident87Confident36 Ų3648.8 Ų48.816%0.15826%0.258CS..Hα-helixtrans-59.7-48.1173.2173.4-110.2000112.4W73 W78 R79 G80 V81 W82W73-F76 AromaticContact CE3-CD1 3.83Å; W73-F76 HydrophobicContact CE3-CD1 3.83Å; W73-F76 HydrophobicContact CE3-CE1 4.44Å; W73-F76 AromaticContact CZ3-CD1 3.99Å; W73-F76 HydrophobicContact CZ3-CD1 3.99Å; W73-F76 HydrophobicContact CZ3-CE1 4.2Å; W73-F76 WeakPolarHBondContact O-CB 3.39Å; W73-F76 PolarHBondContact O-N 3.36Å; F76-W78 PolarHBondContact O-N 2.87Å; F76-R79 PolarHBondContact O-N 3.22Å; F76-G80 WeakPolarHBondContact O-CA 3.36Å; F76-G80 PolarHBondContact O-N 3.41Å; F76-V81 VanDerWaalsContact CD2-C 3.48Å; F76-W82 HydrophobicContact CB-CE3 3.77Å; F76-W82 HydrophobicContact CB-CZ3 4.09Å; F76-W82 HydrophobicContact CD2-CB 3.86Å; F76-W82 AromaticContact CD2-CE3 3.99Å; F76-W82 HydrophobicContact CD2-CE3 3.99Å; F76-W82 HydrophobicContact CE2-CB 4.06Å; F76-W82 AromaticContact CG-CE3 3.9Å; F76-W82 HydrophobicContact CG-CE3 3.9Å
77L82.8Confident86.8Confident30 Ų3057.5 Ų57.516%0.15729%0.292CS..Hα-helixtrans-63-30.9178.1-73.8170.8000112.3R17 L21 Y24 W73 M74R17-L77 WeakPolarHBondContact CD-O 3.06Å; R17-L77 VanDerWaalsContact CG-O 3.3Å; R17-L77 WeakPolarHBondContact CG-O 3.43Å; L21-L77 HydrophobicContact CD2-CB 3.5Å; L21-L77 VanDerWaalsContact CD2-CB 3.5Å; L21-L77 HydrophobicContact CD2-CD1 4.48Å; L21-L77 HydrophobicContact CG-CB 4.16Å; Y24-L77 HydrophobicContact CD2-CD1 3.49Å; Y24-L77 VanDerWaalsContact CD2-CD1 3.49Å; Y24-L77 HydrophobicContact CE2-CD1 3.87Å; Y24-L77 HydrophobicContact CG-CD1 4.45Å; W73-L77 WeakPolarHBondContact O-CB 3.49Å; W73-L77 VanDerWaalsContact O-CG 3.32Å; W73-L77 WeakPolarHBondContact O-CG 3.2Å; W73-L77 PolarHBondContact O-N 2.83Å; M74-L77 PolarHBondContact O-N 3.48Å; M74-L77 HydrophobicContact SD-CD1 4.35Å
78W84.4Confident86.7Confident180 Ų18060 Ų6068%0.68231%0.307SS*.Hα-helixtrans-72.3-53.3176.3-177.1-96000111.6L21 M74 D75 F76L21-W78 HydrophobicContact CD1-CE3 3.79Å; L21-W78 HydrophobicContact CD1-CZ3 4.38Å; M74-W78 WeakPolarHBondContact O-CB 3.41Å; M74-W78 PolarHBondContact O-N 2.87Å; D75-W78 WeakPolarHBondContact O-CB 3.34Å; D75-W78 PolarHBondContact O-N 3.38Å; F76-W78 PolarHBondContact O-N 2.87Å
79R81.7Confident86.7Confident143 Ų14355 Ų5554%0.5428%0.281SS..Hα-helixtrans-77.2-31-174.7-64180-169.7-91.8-5.9113.4D75 F76 V81D75-R79 WeakPolarHBondContact O-CG 3.28Å; D75-R79 PolarHBondContact O-N 3.34Å; D75-R79 IonicContact OD1-CZ 3.14Å; D75-R79 IonicContact OD1-NE 2.9Å; D75-R79 PolarHBondContact OD1-NE 2.9Å; D75-R79 IonicContact OD1-NH2 3.66Å; D75-R79 PolarHBondContact OD1-NH2 3.06Å; D75-R79 VanDerWaalsContact OD1-NH2 3.14Å; D75-R79 VanDerWaalsContact OD2-CD 3.24Å; D75-R79 WeakPolarHBondContact OD2-CD 3.37Å; D75-R79 IonicContact OD2-CZ 3.43Å; D75-R79 IonicContact OD2-NE 2.61Å; D75-R79 PolarHBondContact OD2-NE 3.28Å; F76-R79 PolarHBondContact O-N 3.22Å; R79-V81 HydrophobicContact CB-CG2 4.09Å
80G76.6Confident86.7Confident32 Ų3255.7 Ų55.733%0.3328%0.28SS..SBendtrans774.4-172.400000114.7F76F76-G80 WeakPolarHBondContact O-CA 3.36Å; F76-G80 PolarHBondContact O-N 3.41Å
81V80.8Confident86.8Confident62 Ų6258 Ų5838%0.37630%0.301SS..SBendtrans-137.3143.4178.3-70.40000110F76 R79 T83F76-V81 VanDerWaalsContact CD2-C 3.48Å; R79-V81 HydrophobicContact CB-CG2 4.09Å; V81-T83 HydrophobicContact CG2-CG2 4.23Å; V81-T83 PolarHBondContact O-N 3.08Å
82W86.1Confident86.9Confident0 Ų055.9 Ų55.90%029%0.286CS..  trans-89.4106.6-175.2-179.8-92.7000111.8W73 F76 H84 G85 V88 C89 Y158 S165 C167W73-W82 HydrophobicContact CD2-CZ3 4.41Å; W73-W82 HydrophobicContact CE3-CZ3 4.38Å; F76-W82 HydrophobicContact CB-CE3 3.77Å; F76-W82 HydrophobicContact CB-CZ3 4.09Å; F76-W82 HydrophobicContact CD2-CB 3.86Å; F76-W82 AromaticContact CD2-CE3 3.99Å; F76-W82 HydrophobicContact CD2-CE3 3.99Å; F76-W82 HydrophobicContact CE2-CB 4.06Å; F76-W82 AromaticContact CG-CE3 3.9Å; F76-W82 HydrophobicContact CG-CE3 3.9Å; W82-H84 AromaticContact CH2-CD2 3.96Å; W82-H84 HydrophobicContact CZ2-CB 3.75Å; W82-H84 AromaticContact CZ2-CD2 3.94Å; W82-G85 PolarHBondContact NE1-O 3.22Å; W82-V88 HydrophobicContact CH2-CG1 4.4Å; W82-V88 HydrophobicContact CZ2-CB 4.08Å; W82-V88 HydrophobicContact CZ2-CG1 3.88Å; W82-C89 VanDerWaalsContact CZ2-CA 3.49Å; W82-C89 HydrophobicContact CZ2-CB 3.96Å; W82-Y158 AromaticContact CD1-CE2 3.98Å; W82-S165 PolarHBondContact N-O 3.38Å; W82-S165 WeakPolarHBondContact O-CB 3.3Å; W82-S165 PolarHBondContact O-OG 3.39Å; W82-C167 HydrophobicContact CB-CB 3.95Å; W82-C167 HydrophobicContact CD2-CB 3.37Å; W82-C167 HydrophobicContact CE3-CB 3.56Å; W82-C167 HydrophobicContact CG-CB 3.52Å; W82-C167 HydrophobicContact CZ3-CB 4.25Å
83T88.2Confident87.1Confident82 Ų8252.8 Ų52.850%0.50327%0.27SS..  trans-99.51.2-173.264.60000115V81V81-T83 HydrophobicContact CG2-CG2 4.23Å; V81-T83 PolarHBondContact O-N 3.08Å
84H88.2Confident87.3Confident58 Ų5853.8 Ų53.827%0.26927%0.274SS..SBendtrans-94.34.2-172.2-49.6-65.1000114.3D75 W82 V88D75-H84 IonicContact OD2-CE1 3.36Å; D75-H84 IonicContact OD2-NE2 3.58Å; D75-H84 PolarHBondContact OD2-NE2 2.88Å; W82-H84 AromaticContact CH2-CD2 3.96Å; W82-H84 HydrophobicContact CZ2-CB 3.75Å; W82-H84 AromaticContact CZ2-CD2 3.94Å; H84-V88 HydrophobicContact CB-CB 3.88Å; H84-V88 HydrophobicContact CB-CG1 3.85Å; H84-V88 HydrophobicContact CB-CG2 4.28Å; H84-V88 WeakPolarHBondContact O-CB 3.47Å; H84-V88 WeakPolarHBondContact O-CG2 2.94Å
85G89.8Confident87.5Confident29 Ų2953.4 Ų53.430%0.29928%0.275SS..Hα-helixtrans75.2168.8-18000000114.8W82 Y87 V88 C89W82-G85 PolarHBondContact NE1-O 3.22Å; G85-Y87 PolarHBondContact O-N 2.99Å; G85-V88 PolarHBondContact O-N 3.45Å; G85-C89 PolarHBondContact O-N 3.22Å
86G89.8Confident87.7Confident6 Ų652.9 Ų52.96%0.06227%0.272CS..Hα-helixtrans-67.1-36.3-170.800000115.3V88 C89 L90G86-V88 PolarHBondContact O-N 2.97Å; G86-C89 WeakPolarHBondContact O-CB 3.5Å; G86-C89 PolarHBondContact O-N 3.47Å; G86-L90 PolarHBondContact O-N 3.47Å
87Y91.1Very high88.1Confident194 Ų19452 Ų5276%0.76127%0.268SS*.Hα-helixtrans-64.2-42.6178.3-67.7-70.1000112.8G85 C89 L90 A91 W154G85-Y87 PolarHBondContact O-N 2.99Å; Y87-C89 VanDerWaalsContact C-N 3.29Å; Y87-L90 PolarHBondContact O-N 3.17Å; Y87-A91 WeakPolarHBondContact O-CB 3.47Å; Y87-A91 PolarHBondContact O-N 3.39Å; Y87-W154 HydrophobicContact CD1-CZ3 4.19Å; Y87-W154 HydrophobicContact CE1-CZ3 4.28Å
88V91.8Very high88.6Confident53 Ų5351.2 Ų51.232%0.32126%0.264SS..Hα-helixtrans-67.7-36.3176.8-1750000109.8L72 W82 H84 G85 G86 A91 S92L72-V88 HydrophobicContact CD1-CG1 4.14Å; L72-V88 HydrophobicContact CD2-CG1 4.28Å; W82-V88 HydrophobicContact CH2-CG1 4.4Å; W82-V88 HydrophobicContact CZ2-CB 4.08Å; W82-V88 HydrophobicContact CZ2-CG1 3.88Å; H84-V88 HydrophobicContact CB-CB 3.88Å; H84-V88 HydrophobicContact CB-CG1 3.85Å; H84-V88 HydrophobicContact CB-CG2 4.28Å; H84-V88 WeakPolarHBondContact O-CB 3.47Å; H84-V88 WeakPolarHBondContact O-CG2 2.94Å; G85-V88 PolarHBondContact O-N 3.45Å; G86-V88 PolarHBondContact O-N 2.97Å; V88-A91 PolarHBondContact O-N 2.84Å; V88-S92 VanDerWaalsContact O-CB 3.26Å; V88-S92 WeakPolarHBondContact O-CB 3.41Å; V88-S92 PolarHBondContact O-N 3Å; V88-S92 PolarHBondContact O-OG 3.33Å
89C90.5Very high89.1Confident0 Ų043.2 Ų43.20%024%0.235CC..Hα-helixtrans-60.3-52.2174.5175.20000111.4W82 G85 G86 Y87 A91 S92 I93 S157 Y158 C167W82-C89 VanDerWaalsContact CZ2-CA 3.49Å; W82-C89 HydrophobicContact CZ2-CB 3.96Å; G85-C89 PolarHBondContact O-N 3.22Å; G86-C89 WeakPolarHBondContact O-CB 3.5Å; G86-C89 PolarHBondContact O-N 3.47Å; Y87-C89 VanDerWaalsContact C-N 3.29Å; C89-A91 PolarHBondContact O-N 3.37Å; C89-S92 WeakPolarHBondContact O-CB 3.48Å; C89-S92 PolarHBondContact O-N 3.02Å; C89-S92 VanDerWaalsContact O-N 3.13Å; C89-I93 WeakPolarHBondContact O-CG1 3.5Å; C89-I93 PolarHBondContact O-N 3.24Å; C89-I93 VanDerWaalsContact SG-CD1 3.55Å; C89-S157 PolarHBondContact SG-O 2.66Å; C89-S157 VanDerWaalsContact SG-O 3.32Å; C89-Y158 HydrophobicContact CB-CD2 3.87Å; C89-C167 WeakPolarHBondContact CA-SG 3.23Å; C89-C167 HydrophobicContact CB-CB 3.73Å; C89-C167 WeakPolarHBondContact CB-SG 3.38Å; C89-C167 WeakPolarHBondContact SG-CA 2.94Å; C89-C167 WeakPolarHBondContact SG-CB 3.49Å; C89-C167 CovalentContact SG-SG 2.03Å; C89-C167 PolarHBondContact SG-SG 2.95Å
90L90.8Very high89.6Confident29 Ų2937 Ų3715%0.15221%0.212CC..Hα-helixtrans-56.2-53.2177.3-122.472.5000110.4G86 Y87 S92 I93 Y94 W154 S157G86-L90 PolarHBondContact O-N 3.47Å; Y87-L90 PolarHBondContact O-N 3.17Å; L90-S92 PolarHBondContact O-N 2.78Å; L90-I93 PolarHBondContact O-N 2.91Å; L90-I93 VanDerWaalsContact O-N 3.09Å; L90-Y94 HydrophobicContact CB-CD2 4.32Å; L90-Y94 HydrophobicContact CB-CE2 4.47Å; L90-Y94 HydrophobicContact CD2-CE2 3.95Å; L90-Y94 HydrophobicContact CG-CD2 4.21Å; L90-Y94 HydrophobicContact CG-CE2 3.92Å; L90-Y94 WeakPolarHBondContact O-CB 3.42Å; L90-Y94 WeakPolarHBondContact O-CD2 3.45Å; L90-Y94 PolarHBondContact O-N 3.38Å; L90-W154 HydrophobicContact CD1-CD2 4.49Å; L90-W154 HydrophobicContact CD1-CE3 3.95Å; L90-W154 HydrophobicContact CD2-CE3 3.95Å; L90-S157 VanDerWaalsContact CD1-CB 3.5Å
91A90.9Very high90.5Very high59 Ų5936.5 Ų36.549%0.48820%0.2SC..Hα-helixtrans-55.6-37.417900000112.4Y87 V88 C89 S95Y87-A91 WeakPolarHBondContact O-CB 3.47Å; Y87-A91 PolarHBondContact O-N 3.39Å; V88-A91 PolarHBondContact O-N 2.84Å; C89-A91 PolarHBondContact O-N 3.37Å; A91-S95 VanDerWaalsContact O-CB 3.28Å; A91-S95 WeakPolarHBondContact O-CB 3.33Å; A91-S95 PolarHBondContact O-N 3.1Å
92S90.3Very high91.3Very high9 Ų933.5 Ų33.56%0.06318%0.182CC..Hα-helixtrans-67.6-43.2177.8-61.20000112.3V88 C89 L90 S95 L96V88-S92 VanDerWaalsContact O-CB 3.26Å; V88-S92 WeakPolarHBondContact O-CB 3.41Å; V88-S92 PolarHBondContact O-N 3Å; V88-S92 PolarHBondContact O-OG 3.33Å; C89-S92 WeakPolarHBondContact O-CB 3.48Å; C89-S92 PolarHBondContact O-N 3.02Å; C89-S92 VanDerWaalsContact O-N 3.13Å; L90-S92 PolarHBondContact O-N 2.78Å; S92-S95 PolarHBondContact O-N 3.05Å; S92-L96 WeakPolarHBondContact O-CB 3.39Å; S92-L96 PolarHBondContact O-N 3.35Å
93I90.1Very high91.7Very high1 Ų133.5 Ų33.51%0.00518%0.182CC..Hα-helixtrans-67.4-43.8176.2-65.4163.2000110.7W73 C89 L90 S95 L96 Y97 I152 Y168W73-I93 HydrophobicContact CZ2-CG1 4.33Å; C89-I93 WeakPolarHBondContact O-CG1 3.5Å; C89-I93 PolarHBondContact O-N 3.24Å; C89-I93 VanDerWaalsContact SG-CD1 3.55Å; L90-I93 PolarHBondContact O-N 2.91Å; L90-I93 VanDerWaalsContact O-N 3.09Å; I93-S95 VanDerWaalsContact C-N 3.33Å; I93-S95 PolarHBondContact O-N 3.02Å; I93-L96 PolarHBondContact O-N 3.41Å; I93-Y97 HydrophobicContact CG2-CD2 3.69Å; I93-Y97 HydrophobicContact CG2-CE2 3.78Å; I93-Y97 WeakPolarHBondContact O-CD2 3.37Å; I93-Y97 PolarHBondContact O-N 3.35Å; I93-I152 HydrophobicContact CG2-CD1 4.31Å; I93-I152 HydrophobicContact CG2-CG2 4.12Å; I93-Y168 HydrophobicContact CB-CD2 4.41Å; I93-Y168 HydrophobicContact CD1-CD2 3.66Å; I93-Y168 HydrophobicContact CD1-CG 4.14Å; I93-Y168 HydrophobicContact CG1-CD2 3.62Å; I93-Y168 HydrophobicContact CG1-CE2 4.39Å; I93-Y168 HydrophobicContact CG1-CG 4.03Å; I93-Y168 HydrophobicContact CG2-CD2 3.89Å; I93-Y168 HydrophobicContact CG2-CE2 3.9Å
94Y91.4Very high92.1Very high49 Ų4929.7 Ų29.719%0.19216%0.159CC..Hα-helixtrans-57.2-46.2174-90-74.2000111.7L90 T98 N148 V149 I152L90-Y94 HydrophobicContact CB-CD2 4.32Å; L90-Y94 HydrophobicContact CB-CE2 4.47Å; L90-Y94 HydrophobicContact CD2-CE2 3.95Å; L90-Y94 HydrophobicContact CG-CD2 4.21Å; L90-Y94 HydrophobicContact CG-CE2 3.92Å; L90-Y94 WeakPolarHBondContact O-CB 3.42Å; L90-Y94 WeakPolarHBondContact O-CD2 3.45Å; L90-Y94 PolarHBondContact O-N 3.38Å; Y94-T98 WeakPolarHBondContact O-CB 3.29Å; Y94-T98 PolarHBondContact O-N 2.95Å; Y94-T98 PolarHBondContact O-OG1 3.09Å; Y94-N148 HydrophobicContact CD1-CB 4.05Å; Y94-N148 HydrophobicContact CE1-CB 4.08Å; Y94-N148 WeakPolarHBondContact CE1-O 3.38Å; Y94-V149 HydrophobicContact CE1-CB 4.38Å; Y94-V149 HydrophobicContact CE1-CG2 3.85Å; Y94-V149 WeakPolarHBondContact OH-CA 3.26Å; Y94-V149 PolarHBondContact OH-O 3.08Å; Y94-I152 HydrophobicContact CD1-CD1 3.93Å; Y94-I152 HydrophobicContact CD2-CG2 4.28Å; Y94-I152 HydrophobicContact CE1-CB 4Å; Y94-I152 HydrophobicContact CE1-CD1 4.01Å; Y94-I152 HydrophobicContact CE1-CG1 4.49Å; Y94-I152 HydrophobicContact CE1-CG2 4.47Å; Y94-I152 HydrophobicContact CE2-CB 4.12Å; Y94-I152 HydrophobicContact CE2-CG2 3.78Å; Y94-I152 HydrophobicContact CG-CD1 4.35Å; Y94-I152 PolarHBondContact OH-O 2.99Å
95S91.5Very high92.5Very high28 Ų2828.1 Ų28.120%0.19616%0.156CC..Hα-helixtrans-61.7-45.4177-173.80000111.4A91 S92 I93 T98 N99A91-S95 VanDerWaalsContact O-CB 3.28Å; A91-S95 WeakPolarHBondContact O-CB 3.33Å; A91-S95 PolarHBondContact O-N 3.1Å; S92-S95 PolarHBondContact O-N 3.05Å; I93-S95 VanDerWaalsContact C-N 3.33Å; I93-S95 PolarHBondContact O-N 3.02Å; S95-T98 PolarHBondContact O-N 3.3Å; S95-N99 WeakPolarHBondContact O-CB 3.43Å; S95-N99 PolarHBondContact O-N 3.15Å
96L91Very high92.8Very high31 Ų3126.8 Ų26.816%0.16214%0.141CC..Hα-helixtrans-58.9-54177.7-177.4153.3000112F66 S92 I93 T98 N99 F100F66-L96 HydrophobicContact CD2-CB 4.41Å; F66-L96 HydrophobicContact CE2-CB 4.19Å; F66-L96 HydrophobicContact CE2-CD1 4.14Å; F66-L96 HydrophobicContact CE2-CG 3.95Å; S92-L96 WeakPolarHBondContact O-CB 3.39Å; S92-L96 PolarHBondContact O-N 3.35Å; I93-L96 PolarHBondContact O-N 3.41Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 2.96Å; L96-N99 PolarHBondContact O-N 3.44Å; L96-F100 WeakPolarHBondContact O-CB 3.44Å; L96-F100 PolarHBondContact O-N 3.45Å
97Y91.6Very high93Very high17 Ų1726.5 Ų26.57%0.06714%0.138CC..Hα-helixtrans-66.8-36.1-179.8-83.3-66.8000112.6I93 F100 Y101 I152 Y168 F244I93-Y97 HydrophobicContact CG2-CD2 3.69Å; I93-Y97 HydrophobicContact CG2-CE2 3.78Å; I93-Y97 WeakPolarHBondContact O-CD2 3.37Å; I93-Y97 PolarHBondContact O-N 3.35Å; Y97-F100 PolarHBondContact O-N 2.88Å; Y97-Y101 HydrophobicContact CD1-CD2 4.47Å; Y97-Y101 AromaticContact CD1-CE2 3.67Å; Y97-Y101 HydrophobicContact CD1-CE2 3.67Å; Y97-Y101 HydrophobicContact CE1-CE2 4.41Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.38Å; Y97-Y101 PolarHBondContact O-N 2.92Å; Y97-Y101 VanDerWaalsContact O-N 3.09Å; Y97-I152 HydrophobicContact CD2-CD1 3.58Å; Y97-I152 HydrophobicContact CD2-CG1 4.33Å; Y97-I152 HydrophobicContact CE2-CD1 4.31Å; Y97-I152 HydrophobicContact CG-CD1 4.14Å; Y97-Y168 AromaticContact CE2-CE2 3.75Å; Y97-Y168 HydrophobicContact CE2-CE2 3.75Å; Y97-Y168 VanDerWaalsContact CZ-OH 3.32Å; Y97-Y168 PolarHBondContact OH-OH 3.49Å; Y97-F244 HydrophobicContact CE1-CE2 4.13Å; Y97-F244 AromaticContact CE1-CZ 3.8Å; Y97-F244 HydrophobicContact CE1-CZ 3.8Å
98T94.2Very high93.2Very high13 Ų1317.9 Ų17.98%0.0811%0.106CC..Hα-helixtrans-66.3-43.7178-58.50000110.4Y94 S95 L96 T102 W141 V144 M145 N148Y94-T98 WeakPolarHBondContact O-CB 3.29Å; Y94-T98 PolarHBondContact O-N 2.95Å; Y94-T98 PolarHBondContact O-OG1 3.09Å; S95-T98 PolarHBondContact O-N 3.3Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 2.96Å; T98-T102 HydrophobicContact CG2-CG2 4.08Å; T98-T102 VanDerWaalsContact O-CB 3.28Å; T98-T102 WeakPolarHBondContact O-CB 3.48Å; T98-T102 VanDerWaalsContact O-CG2 3.22Å; T98-T102 WeakPolarHBondContact O-CG2 2.9Å; T98-T102 PolarHBondContact O-N 3.05Å; T98-T102 PolarHBondContact O-OG1 3.33Å; T98-W141 HydrophobicContact CG2-CE3 3.9Å; T98-W141 HydrophobicContact CG2-CH2 4.47Å; T98-W141 HydrophobicContact CG2-CZ3 3.47Å; T98-W141 VanDerWaalsContact CG2-CZ3 3.47Å; T98-V144 HydrophobicContact CG2-CG1 4.14Å; T98-M145 HydrophobicContact CG2-CE 4.23Å; T98-M145 HydrophobicContact CG2-CG 3.96Å; T98-N148 WeakPolarHBondContact CA-ND2 3.37Å; T98-N148 PolarHBondContact N-ND2 3.3Å; T98-N148 PolarHBondContact OG1-ND2 3.06Å; T98-N148 VanDerWaalsContact OG1-ND2 3.12Å
99N94.8Very high93.4Very high13 Ų1316.4 Ų16.47%0.0710%0.098CC..Hα-helixtrans-59.3-50.9174.4168.1-104.6000111.8S62 D63 F66 S95 L96 Y101 T102 S103S62-N99 PolarHBondContact O-ND2 3.05Å; S62-N99 VanDerWaalsContact O-ND2 3.17Å; S62-N99 VanDerWaalsContact OG-CA 3.26Å; S62-N99 WeakPolarHBondContact OG-CA 3.46Å; S62-N99 PolarHBondContact OG-ND2 3.28Å; D63-N99 WeakPolarHBondContact CA-ND2 3.34Å; D63-N99 PolarHBondContact N-ND2 3.37Å; D63-N99 PolarHBondContact OD1-ND2 2.93Å; F66-N99 HydrophobicContact CB-CB 3.56Å; F66-N99 HydrophobicContact CD2-CB 4.31Å; F66-N99 HydrophobicContact CG-CB 4.1Å; S95-N99 WeakPolarHBondContact O-CB 3.43Å; S95-N99 PolarHBondContact O-N 3.15Å; L96-N99 PolarHBondContact O-N 3.44Å; N99-Y101 PolarHBondContact O-N 2.73Å; N99-T102 PolarHBondContact O-N 3.44Å; N99-T102 PolarHBondContact O-OG1 3.4Å; N99-T102 VanDerWaalsContact O-OG1 3.11Å; N99-S103 PolarHBondContact ND2-OG 3.4Å; N99-S103 VanDerWaalsContact O-CB 3.28Å; N99-S103 WeakPolarHBondContact O-CB 3.22Å; N99-S103 PolarHBondContact O-N 2.66Å; N99-S103 PolarHBondContact O-OG 2.94Å; N99-S103 VanDerWaalsContact O-OG 3.08Å
100F93.2Very high93.6Very high12 Ų1216.4 Ų16.45%0.05310%0.098CC..Hα-helixtrans-51.7-55.4-179-172.1-100.9000112.5L96 Y97 E104 F237 I240 H241L96-F100 WeakPolarHBondContact O-CB 3.44Å; L96-F100 PolarHBondContact O-N 3.45Å; Y97-F100 PolarHBondContact O-N 2.88Å; F100-E104 WeakPolarHBondContact O-CG 3.37Å; F100-E104 PolarHBondContact O-N 3.45Å; F100-F237 AromaticContact CD2-CD1 3.63Å; F100-F237 HydrophobicContact CD2-CD1 3.63Å; F100-F237 AromaticContact CD2-CE1 3.8Å; F100-F237 HydrophobicContact CD2-CE1 3.8Å; F100-F237 HydrophobicContact CE1-CD1 4.24Å; F100-F237 HydrophobicContact CE2-CB 4.25Å; F100-F237 AromaticContact CE2-CD1 3.2Å; F100-F237 HydrophobicContact CE2-CD1 3.2Å; F100-F237 AromaticContact CE2-CE1 3.87Å; F100-F237 HydrophobicContact CE2-CE1 3.87Å; F100-F237 HydrophobicContact CE2-CG 4.1Å; F100-F237 HydrophobicContact CG-CD1 4.29Å; F100-F237 HydrophobicContact CG-CE1 4.37Å; F100-F237 HydrophobicContact CZ-CB 4.08Å; F100-F237 AromaticContact CZ-CD1 3.55Å; F100-F237 HydrophobicContact CZ-CD1 3.55Å; F100-F237 HydrophobicContact CZ-CE1 4.49Å; F100-F237 HydrophobicContact CZ-CG 4.29Å; F100-F237 WeakPolarHBondContact O-CE1 3.3Å; F100-I240 HydrophobicContact CE1-CG2 4.48Å; F100-I240 HydrophobicContact CE2-CG2 3.35Å; F100-I240 HydrophobicContact CZ-CG2 3.32Å; F100-H241 AromaticContact CE1-CD2 3.91Å; F100-H241 AromaticContact CE1-CE1 3.7Å; F100-H241 AromaticContact CE1-NE2 3.3Å; F100-H241 VanDerWaalsContact CE1-NE2 3.3Å; F100-H241 WeakPolarHBondContact CE1-NE2 3.29Å; F100-H241 AromaticContact CZ-CD2 3.69Å; F100-H241 AromaticContact CZ-NE2 3.55Å
101Y95.4Very high93.7Very high21 Ų2115 Ų158%0.0829%0.091CC..Hα-helixtrans-76-32.2-177.5-69.4-62.4000114.2Y97 N99 E104 A105 R185 H241Y97-Y101 HydrophobicContact CD1-CD2 4.47Å; Y97-Y101 AromaticContact CD1-CE2 3.67Å; Y97-Y101 HydrophobicContact CD1-CE2 3.67Å; Y97-Y101 HydrophobicContact CE1-CE2 4.41Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.38Å; Y97-Y101 PolarHBondContact O-N 2.92Å; Y97-Y101 VanDerWaalsContact O-N 3.09Å; N99-Y101 PolarHBondContact O-N 2.73Å; Y101-E104 WeakPolarHBondContact CD1-OE2 3.47Å; Y101-A105 WeakPolarHBondContact O-CB 3.31Å; Y101-A105 PolarHBondContact O-N 2.91Å; Y101-A105 VanDerWaalsContact O-N 3.08Å; Y101-R185 HydrophobicContact CE1-CB 4.12Å; Y101-R185 HydrophobicContact CE1-CG 4.05Å; Y101-R185 HydrophobicContact CE2-CG 3.91Å; Y101-R185 VanDerWaalsContact CZ-CG 3.43Å; Y101-R185 WeakPolarHBondContact OH-CB 3.38Å; Y101-R185 WeakPolarHBondContact OH-CD 3.5Å; Y101-R185 WeakPolarHBondContact OH-CG 3.32Å; Y101-H241 AromaticContact CE1-CE1 3.87Å
102T96.6Very high93.9Very high0 Ų014.5 Ų14.50%08%0.082CC..Hα-helixtrans-67.8-40174.953.70000110.9S62 T98 N99 A105 F106 I140 W141 V144S62-T102 PolarHBondContact OG-OG1 3.29Å; T98-T102 HydrophobicContact CG2-CG2 4.08Å; T98-T102 VanDerWaalsContact O-CB 3.28Å; T98-T102 WeakPolarHBondContact O-CB 3.48Å; T98-T102 VanDerWaalsContact O-CG2 3.22Å; T98-T102 WeakPolarHBondContact O-CG2 2.9Å; T98-T102 PolarHBondContact O-N 3.05Å; T98-T102 PolarHBondContact O-OG1 3.33Å; N99-T102 PolarHBondContact O-N 3.44Å; N99-T102 PolarHBondContact O-OG1 3.4Å; N99-T102 VanDerWaalsContact O-OG1 3.11Å; T102-A105 PolarHBondContact O-N 3.42Å; T102-F106 WeakPolarHBondContact O-CD2 3.45Å; T102-F106 WeakPolarHBondContact O-CG 3.02Å; T102-F106 PolarHBondContact O-N 2.85Å; T102-I140 HydrophobicContact CG2-CG2 4.32Å; T102-W141 HydrophobicContact CG2-CD2 4.02Å; T102-W141 HydrophobicContact CG2-CE3 3.87Å; T102-W141 HydrophobicContact CG2-CH2 4.3Å; T102-W141 HydrophobicContact CG2-CZ2 4.41Å; T102-W141 HydrophobicContact CG2-CZ3 4.04Å; T102-V144 HydrophobicContact CG2-CB 4.07Å; T102-V144 HydrophobicContact CG2-CG1 4.01Å; T102-V144 HydrophobicContact CG2-CG2 4.15Å
103S95.5Very high94Very high0 Ų014.3 Ų14.30%08%0.08CC..Hα-helixtrans-63.8-45.1177.8-66.40000111.9L59 D63 N99 A105 F106 L107 N273L59-S103 VanDerWaalsContact CD1-CA 3.49Å; D63-S103 PolarHBondContact OD1-OG 3Å; N99-S103 PolarHBondContact ND2-OG 3.4Å; N99-S103 VanDerWaalsContact O-CB 3.28Å; N99-S103 WeakPolarHBondContact O-CB 3.22Å; N99-S103 PolarHBondContact O-N 2.66Å; N99-S103 PolarHBondContact O-OG 2.94Å; N99-S103 VanDerWaalsContact O-OG 3.08Å; S103-A105 VanDerWaalsContact C-N 3.34Å; S103-A105 PolarHBondContact O-N 3.38Å; S103-F106 PolarHBondContact O-N 3.26Å; S103-L107 WeakPolarHBondContact O-CB 3.39Å; S103-L107 VanDerWaalsContact O-CG 3.26Å; S103-L107 WeakPolarHBondContact O-CG 3.27Å; S103-L107 PolarHBondContact O-N 3.47Å; S103-N273 WeakPolarHBondContact CB-ND2 3.28Å; S103-N273 PolarHBondContact OG-ND2 2.86Å
104E94.8Very high94.1Very high2 Ų216.4 Ų16.41%0.0099%0.088CC..Hα-helixtrans-56.3-46.8171.9-70.7178.8150.100112.4F100 Y101 L107 C108 G189 L233 F237 H241F100-E104 WeakPolarHBondContact O-CG 3.37Å; F100-E104 PolarHBondContact O-N 3.45Å; Y101-E104 WeakPolarHBondContact CD1-OE2 3.47Å; E104-L107 PolarHBondContact O-N 3.44Å; E104-C108 PolarHBondContact O-N 2.82Å; E104-C108 PolarHBondContact O-SG 2.67Å; E104-G189 WeakPolarHBondContact OE2-CA 3.33Å; E104-L233 HydrophobicContact CB-CD2 4.27Å; E104-L233 HydrophobicContact CG-CD2 4.1Å; E104-F237 HydrophobicContact CG-CB 4.36Å; E104-F237 HydrophobicContact CG-CD1 3.23Å; E104-F237 HydrophobicContact CG-CD2 4.25Å; E104-F237 HydrophobicContact CG-CE1 3.43Å; E104-F237 VanDerWaalsContact CG-CE1 3.43Å; E104-F237 HydrophobicContact CG-CE2 4.35Å; E104-F237 HydrophobicContact CG-CG 3.71Å; E104-F237 HydrophobicContact CG-CZ 3.97Å; E104-F237 WeakPolarHBondContact OE1-CB 3.45Å; E104-F237 WeakPolarHBondContact OE1-CD1 3.39Å; E104-F237 WeakPolarHBondContact OE1-CG 3.11Å; E104-H241 IonicContact OE1-CD2 3.97Å; E104-H241 PolarHBondContact OE1-CD2 3.06Å; E104-H241 IonicContact OE1-CE1 3.92Å; E104-H241 IonicContact OE1-NE2 2.73Å; E104-H241 PolarHBondContact OE1-NE2 2.83Å; E104-H241 IonicContact OE2-NE2 3.56Å
105A96.9Very high94.1Very high25 Ų2516.8 Ų16.821%0.2079%0.089CC..Hα-helixtrans-64.6-42.8-179.500000111.9Y101 T102 S103 C108 C109 I140Y101-A105 WeakPolarHBondContact O-CB 3.31Å; Y101-A105 PolarHBondContact O-N 2.91Å; Y101-A105 VanDerWaalsContact O-N 3.08Å; T102-A105 PolarHBondContact O-N 3.42Å; S103-A105 VanDerWaalsContact C-N 3.34Å; S103-A105 PolarHBondContact O-N 3.38Å; A105-C108 WeakPolarHBondContact O-CB 3.39Å; A105-C108 PolarHBondContact O-N 3.47Å; A105-C109 PolarHBondContact O-N 3.41Å; A105-C109 PolarHBondContact O-SG 3.2Å; A105-I140 HydrophobicContact CB-CD1 4.17Å; A105-I140 HydrophobicContact CB-CG1 4.36Å; A105-I140 HydrophobicContact CB-CG2 3.65Å
106F96.4Very high94Very high0 Ų016.7 Ų16.70%09%0.086CC..Hα-helixtrans-68.3-36.7177.7-73.1-53.6000112.7Y55 H58 L59 T102 S103 C108 C109 I110 S137 I140 W141Y55-F106 HydrophobicContact CD1-CD1 4.05Å; Y55-F106 HydrophobicContact CD1-CE1 4.38Å; H58-F106 HydrophobicContact CB-CD1 4.29Å; H58-F106 HydrophobicContact CB-CD2 4.03Å; H58-F106 HydrophobicContact CB-CE1 3.72Å; H58-F106 HydrophobicContact CB-CE2 3.43Å; H58-F106 VanDerWaalsContact CB-CE2 3.43Å; H58-F106 HydrophobicContact CB-CG 4.46Å; H58-F106 HydrophobicContact CB-CZ 3.28Å; H58-F106 AromaticContact CG-CZ 3.88Å; L59-F106 HydrophobicContact CB-CB 4.16Å; L59-F106 HydrophobicContact CD1-CB 4.12Å; T102-F106 WeakPolarHBondContact O-CD2 3.45Å; T102-F106 WeakPolarHBondContact O-CG 3.02Å; T102-F106 PolarHBondContact O-N 2.85Å; S103-F106 PolarHBondContact O-N 3.26Å; F106-C108 VanDerWaalsContact C-N 3.3Å; F106-C108 PolarHBondContact O-N 3.48Å; F106-C109 PolarHBondContact O-N 3.1Å; F106-I110 VanDerWaalsContact O-CG1 3.25Å; F106-I110 WeakPolarHBondContact O-CG1 3.47Å; F106-I110 PolarHBondContact O-N 3.36Å; F106-S137 WeakPolarHBondContact CE1-OG 3.37Å; F106-I140 HydrophobicContact CD1-CD1 4.28Å; F106-I140 HydrophobicContact CE1-CD1 3.99Å; F106-I140 HydrophobicContact CE2-CG2 4.43Å; F106-I140 HydrophobicContact CZ-CB 4.44Å; F106-I140 HydrophobicContact CZ-CG2 4.18Å; F106-W141 AromaticContact CE2-NE1 3.73Å; F106-W141 AromaticContact CZ-CD1 3.99Å; F106-W141 AromaticContact CZ-NE1 3.61Å
107L94.5Very high93.9Very high0 Ų016.2 Ų16.20%09%0.087CC..Hα-helixtrans-59-42170.4-74.6175.3000111.5L59 S103 E104 I110 A111 V229 C232 L233 F237 L280L59-L107 HydrophobicContact CD2-CD2 4.16Å; S103-L107 WeakPolarHBondContact O-CB 3.39Å; S103-L107 VanDerWaalsContact O-CG 3.26Å; S103-L107 WeakPolarHBondContact O-CG 3.27Å; S103-L107 PolarHBondContact O-N 3.47Å; E104-L107 PolarHBondContact O-N 3.44Å; L107-I110 PolarHBondContact O-N 3.2Å; L107-A111 PolarHBondContact O-N 3.32Å; L107-V229 HydrophobicContact CB-CG1 3.98Å; L107-V229 HydrophobicContact CD2-CG1 4.18Å; L107-V229 HydrophobicContact CD2-CG2 4.26Å; L107-C232 HydrophobicContact CD1-CB 4.34Å; L107-L233 HydrophobicContact CB-CD2 4.41Å; L107-L233 HydrophobicContact CD1-CD2 4.06Å; L107-L233 HydrophobicContact CD1-CG 4.49Å; L107-F237 HydrophobicContact CD1-CE2 3.79Å; L107-F237 HydrophobicContact CD1-CZ 4.28Å; L107-L280 HydrophobicContact CD2-CD1 3.66Å
108C95.9Very high93.7Very high13 Ų1317.4 Ų17.49%0.08810%0.096CC..Hα-helixtrans-62.7-46.3173-67.50000112.2E104 A105 F106 I110 A111 V112 P193 V197E104-C108 PolarHBondContact O-N 2.82Å; E104-C108 PolarHBondContact O-SG 2.67Å; A105-C108 WeakPolarHBondContact O-CB 3.39Å; A105-C108 PolarHBondContact O-N 3.47Å; F106-C108 VanDerWaalsContact C-N 3.3Å; F106-C108 PolarHBondContact O-N 3.48Å; C108-I110 VanDerWaalsContact C-N 3.28Å; C108-I110 PolarHBondContact O-N 3.44Å; C108-A111 PolarHBondContact O-N 3.37Å; C108-A111 VanDerWaalsContact O-N 3.15Å; C108-V112 WeakPolarHBondContact O-CG2 3.36Å; C108-V112 PolarHBondContact O-N 2.95Å; C108-P193 WeakPolarHBondContact SG-CA 3.24Å; C108-P193 WeakPolarHBondContact SG-CB 3.25Å; C108-V197 HydrophobicContact CB-CG2 4.43Å
109C96Very high93.4Very high22 Ų2218.9 Ų18.915%0.14911%0.105CC..Hα-helixtrans-58.9-40.3176.6-68.70000111.9Y55 A105 F106 N113 I140Y55-C109 HydrophobicContact CD1-CB 3.67Å; Y55-C109 HydrophobicContact CD2-CB 4.23Å; Y55-C109 HydrophobicContact CE1-CB 3.74Å; Y55-C109 HydrophobicContact CE2-CB 4.3Å; Y55-C109 HydrophobicContact CG-CB 3.93Å; A105-C109 PolarHBondContact O-N 3.41Å; A105-C109 PolarHBondContact O-SG 3.2Å; F106-C109 PolarHBondContact O-N 3.1Å; C109-N113 WeakPolarHBondContact O-CB 3.14Å; C109-N113 PolarHBondContact O-N 2.72Å; C109-I140 VanDerWaalsContact SG-CD1 3.52Å
110I93.5Very high93.1Very high0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-60.7-48.1175.2-69.4161.6000110.3L52 L56 L59 F106 L107 C108 N113 R114 V229L52-I110 HydrophobicContact CD1-CB 4.33Å; L52-I110 HydrophobicContact CD1-CG1 3.93Å; L52-I110 HydrophobicContact CD1-CG2 4.06Å; L56-I110 HydrophobicContact CD2-CD1 3.6Å; L56-I110 HydrophobicContact CD2-CG1 4.38Å; L56-I110 HydrophobicContact CG-CD1 4.38Å; L59-I110 HydrophobicContact CD2-CD1 4.02Å; F106-I110 VanDerWaalsContact O-CG1 3.25Å; F106-I110 WeakPolarHBondContact O-CG1 3.47Å; F106-I110 PolarHBondContact O-N 3.36Å; L107-I110 PolarHBondContact O-N 3.2Å; C108-I110 VanDerWaalsContact C-N 3.28Å; C108-I110 PolarHBondContact O-N 3.44Å; I110-N113 PolarHBondContact O-N 3.11Å; I110-R114 WeakPolarHBondContact O-CG 3.23Å; I110-R114 PolarHBondContact O-N 3.49Å; I110-V229 HydrophobicContact CG2-CG2 4.41Å
111A93.3Very high92.6Very high0 Ų023.3 Ų23.30%013%0.131CC..Hα-helixtrans-62.9-47.5179.600000112.7L107 C108 N113 R114 Y115 V197 L226 V229L107-A111 PolarHBondContact O-N 3.32Å; C108-A111 PolarHBondContact O-N 3.37Å; C108-A111 VanDerWaalsContact O-N 3.15Å; A111-N113 VanDerWaalsContact C-N 3.34Å; A111-N113 PolarHBondContact O-N 3.12Å; A111-R114 PolarHBondContact O-N 3.31Å; A111-Y115 PolarHBondContact O-N 2.92Å; A111-V197 HydrophobicContact CB-CB 4.25Å; A111-V197 HydrophobicContact CB-CG1 4.06Å; A111-V197 HydrophobicContact CB-CG2 3.75Å; A111-L226 HydrophobicContact CB-CD2 3.89Å; A111-V229 HydrophobicContact CB-CG1 4.42Å
112V94.8Very high92.2Very high48 Ų4829.9 Ų29.929%0.29117%0.166SC..Hα-helixtrans-63.1-41.7177.5172.40000110.7C108 R114 Y115 L116 I196C108-V112 WeakPolarHBondContact O-CG2 3.36Å; C108-V112 PolarHBondContact O-N 2.95Å; V112-R114 VanDerWaalsContact C-N 3.35Å; V112-R114 PolarHBondContact O-N 2.65Å; V112-Y115 WeakPolarHBondContact O-CB 3.31Å; V112-Y115 PolarHBondContact O-N 2.79Å; V112-L116 HydrophobicContact CG1-CD1 3.98Å; V112-L116 HydrophobicContact CG1-CG 4.16Å; V112-L116 WeakPolarHBondContact O-CG 3.15Å; V112-L116 PolarHBondContact O-N 2.89Å; V112-I196 HydrophobicContact CG2-CG2 3.4Å
113N93Very high91.7Very high5 Ų538.7 Ų38.73%0.02720%0.2CC..Hα-helixtrans-60.3-44.4177.3-176.927.7000111.7D51 Y55 C109 I110 A111 L116 A117D51-N113 PolarHBondContact OD2-ND2 2.98Å; D51-N113 PolarHBondContact OD2-OD1 2.92Å; Y55-N113 HydrophobicContact CE2-CB 4.17Å; C109-N113 WeakPolarHBondContact O-CB 3.14Å; C109-N113 PolarHBondContact O-N 2.72Å; I110-N113 PolarHBondContact O-N 3.11Å; A111-N113 VanDerWaalsContact C-N 3.34Å; A111-N113 PolarHBondContact O-N 3.12Å; N113-L116 PolarHBondContact O-N 3.42Å; N113-A117 WeakPolarHBondContact O-CB 3.11Å; N113-A117 PolarHBondContact O-N 2.67Å
114R91Very high91.3Very high46 Ų4642.4 Ų42.417%0.17421%0.214CC..Hα-helixtrans-63.1-42.9174.8-66.9-52.389.1-1563.6111.7I110 A111 V112 A117 V118 L225 L226I110-R114 WeakPolarHBondContact O-CG 3.23Å; I110-R114 PolarHBondContact O-N 3.49Å; A111-R114 PolarHBondContact O-N 3.31Å; V112-R114 VanDerWaalsContact C-N 3.35Å; V112-R114 PolarHBondContact O-N 2.65Å; R114-A117 PolarHBondContact O-N 3.24Å; R114-V118 WeakPolarHBondContact O-CG2 3.16Å; R114-V118 PolarHBondContact O-N 3.44Å; R114-V118 VanDerWaalsContact O-N 3.11Å; R114-L225 HydrophobicContact CG-CD2 4.06Å; R114-L226 HydrophobicContact CB-CD1 4.36Å; R114-L226 HydrophobicContact CB-CD2 4.12Å; R114-L226 HydrophobicContact CG-CD2 4.35Å
115Y91.4Very high90.8Very high56 Ų5644.8 Ų44.822%0.2223%0.234CC..Hα-helixtrans-58.1-50.7175.8165.4-103.5000112.3A111 V112 A117 V118 V119 H120 T204A111-Y115 PolarHBondContact O-N 2.92Å; V112-Y115 WeakPolarHBondContact O-CB 3.31Å; V112-Y115 PolarHBondContact O-N 2.79Å; Y115-A117 VanDerWaalsContact C-N 3.33Å; Y115-A117 PolarHBondContact O-N 2.79Å; Y115-V118 PolarHBondContact O-N 3.01Å; Y115-V119 HydrophobicContact CD2-CB 3.96Å; Y115-V119 HydrophobicContact CD2-CG2 3.45Å; Y115-V119 VanDerWaalsContact CD2-CG2 3.45Å; Y115-V119 HydrophobicContact CE2-CB 3.67Å; Y115-V119 HydrophobicContact CE2-CG1 3.82Å; Y115-V119 HydrophobicContact CE2-CG2 3.49Å; Y115-V119 VanDerWaalsContact CE2-CG2 3.49Å; Y115-V119 HydrophobicContact CG-CG2 4.43Å; Y115-V119 WeakPolarHBondContact O-CB 3.33Å; Y115-V119 WeakPolarHBondContact O-CG2 3.46Å; Y115-V119 PolarHBondContact O-N 2.98Å; Y115-H120 AromaticContact CE1-CD2 3.89Å; Y115-H120 AromaticContact CZ-CD2 3.77Å; Y115-H120 AromaticContact CZ-NE2 3.72Å; Y115-H120 PolarHBondContact OH-NE2 3.39Å; Y115-T204 VanDerWaalsContact CA-OG1 3.29Å; Y115-T204 WeakPolarHBondContact CA-OG1 3.39Å
116L91.3Very high90.3Very high26 Ų2650.3 Ų50.314%0.13625%0.25CC..Hα-helixtrans-63.4-39.5179.8-66.5179000111.9V112 N113 V118 H120 Y124 T127V112-L116 HydrophobicContact CG1-CD1 3.98Å; V112-L116 HydrophobicContact CG1-CG 4.16Å; V112-L116 WeakPolarHBondContact O-CG 3.15Å; V112-L116 PolarHBondContact O-N 2.89Å; N113-L116 PolarHBondContact O-N 3.42Å; L116-V118 VanDerWaalsContact C-N 3.32Å; L116-V118 PolarHBondContact O-N 3.44Å; L116-H120 CarbonylContact O-C 3.08Å; L116-H120 WeakPolarHBondContact O-CA 3.46Å; L116-H120 PolarHBondContact O-N 3.26Å; L116-H120 VanDerWaalsContact O-N 3.1Å; L116-Y124 HydrophobicContact CD2-CD2 3.68Å; L116-Y124 HydrophobicContact CD2-CE2 4.21Å; L116-Y124 HydrophobicContact CD2-CG 4.08Å; L116-T127 HydrophobicContact CD1-CG2 4.24Å
117A88.5Confident89.8Confident21 Ų2151 Ų5117%0.17425%0.254CS..Hα-helixtrans-64.8-33.617900000113.3N113 R114 Y115N113-A117 WeakPolarHBondContact O-CB 3.11Å; N113-A117 PolarHBondContact O-N 2.67Å; R114-A117 PolarHBondContact O-N 3.24Å; Y115-A117 VanDerWaalsContact C-N 3.33Å; Y115-A117 PolarHBondContact O-N 2.79Å
118V86.9Confident89.4Confident42 Ų4256 Ų5626%0.25527%0.273SS..Hα-helixtrans-92.3-47.6-177173.20000112.2R114 Y115 L116 T204 A207 V208 I222R114-V118 WeakPolarHBondContact O-CG2 3.16Å; R114-V118 PolarHBondContact O-N 3.44Å; R114-V118 VanDerWaalsContact O-N 3.11Å; Y115-V118 PolarHBondContact O-N 3.01Å; L116-V118 VanDerWaalsContact C-N 3.32Å; L116-V118 PolarHBondContact O-N 3.44Å; V118-T204 HydrophobicContact CB-CG2 4.03Å; V118-T204 HydrophobicContact CG1-CG2 4.09Å; V118-T204 HydrophobicContact CG2-CG2 3.95Å; V118-A207 HydrophobicContact CG1-CB 3.91Å; V118-V208 HydrophobicContact CG1-CG2 3.56Å; V118-V208 HydrophobicContact CG2-CG2 4.39Å; V118-I222 HydrophobicContact CG2-CD1 4.1Å
119V88.3Confident89.3Confident45 Ų4561.3 Ų61.327%0.27329%0.294SS..Hα-helixtrans-86.8-32-170.7-173.70000111.6Y115 P121 A207Y115-V119 HydrophobicContact CD2-CB 3.96Å; Y115-V119 HydrophobicContact CD2-CG2 3.45Å; Y115-V119 VanDerWaalsContact CD2-CG2 3.45Å; Y115-V119 HydrophobicContact CE2-CB 3.67Å; Y115-V119 HydrophobicContact CE2-CG1 3.82Å; Y115-V119 HydrophobicContact CE2-CG2 3.49Å; Y115-V119 VanDerWaalsContact CE2-CG2 3.49Å; Y115-V119 HydrophobicContact CG-CG2 4.43Å; Y115-V119 WeakPolarHBondContact O-CB 3.33Å; Y115-V119 WeakPolarHBondContact O-CG2 3.46Å; Y115-V119 PolarHBondContact O-N 2.98Å; V119-P121 VanDerWaalsContact C-CD 3.48Å; V119-A207 HydrophobicContact CG2-CB 3.73Å
120H87.5Confident89.2Confident55 Ų5562.1 Ų62.126%0.25530%0.299SS..  trans-132.754.5-175.4-61.7-71.3000113.2Y115 L116 L122 R123 Y124Y115-H120 AromaticContact CE1-CD2 3.89Å; Y115-H120 AromaticContact CZ-CD2 3.77Å; Y115-H120 AromaticContact CZ-NE2 3.72Å; Y115-H120 PolarHBondContact OH-NE2 3.39Å; L116-H120 CarbonylContact O-C 3.08Å; L116-H120 WeakPolarHBondContact O-CA 3.46Å; L116-H120 PolarHBondContact O-N 3.26Å; L116-H120 VanDerWaalsContact O-N 3.1Å; H120-L122 VanDerWaalsContact C-N 3.27Å; H120-L122 PolarHBondContact O-N 2.87Å; H120-L122 VanDerWaalsContact O-N 3.11Å; H120-R123 HydrophobicContact CB-CB 4.37Å; H120-R123 PolarHBondContact O-N 3.07Å; H120-Y124 HydrophobicContact CB-CD2 3.59Å; H120-Y124 HydrophobicContact CB-CE2 4.03Å
121P83.5Confident89.4Confident63 Ų6366.1 Ų66.141%0.40933%0.327SS..THydrogen-bonded Turntrans-59.6-31-167.122.2-34.1000114.8V119V119-P121 VanDerWaalsContact C-CD 3.48Å
122L86.5Confident89.5Confident159 Ų15966.8 Ų66.883%0.83233%0.331SS*.THydrogen-bonded Turntrans-98.7-35-178.1-60177.6000113.3H120 Y124H120-L122 VanDerWaalsContact C-N 3.27Å; H120-L122 PolarHBondContact O-N 2.87Å; H120-L122 VanDerWaalsContact O-N 3.11Å; L122-Y124 PolarHBondContact O-N 3.4Å
123R86.1Confident89.6Confident184 Ų18464.5 Ų64.569%0.69432%0.317SS*.THydrogen-bonded Turntrans-69.9-33.6-171.4-171.8172.4-179.1160.41.7113.2H120H120-R123 HydrophobicContact CB-CB 4.37Å; H120-R123 PolarHBondContact O-N 3.07Å
124Y87.4Confident89.8Confident78 Ų7865.9 Ų65.931%0.30633%0.329SS..THydrogen-bonded Turntrans-118.332.7-177.7-59.9-74.9000112.5L116 H120 L122 W126 T127L116-Y124 HydrophobicContact CD2-CD2 3.68Å; L116-Y124 HydrophobicContact CD2-CE2 4.21Å; L116-Y124 HydrophobicContact CD2-CG 4.08Å; H120-Y124 HydrophobicContact CB-CD2 3.59Å; H120-Y124 HydrophobicContact CB-CE2 4.03Å; L122-Y124 PolarHBondContact O-N 3.4Å; Y124-W126 AromaticContact CD1-NE1 3.94Å; Y124-W126 PolarHBondContact O-N 3.2Å; Y124-T127 PolarHBondContact O-N 3.42Å; Y124-T127 PolarHBondContact O-OG1 3.18Å
125A84.6Confident90.1Very high52 Ų5269.1 Ų69.143%0.4335%0.348SS..G310 helixtrans-57.5-25.6-179.900000113.6T127 R128A125-T127 VanDerWaalsContact C-N 3.32Å; A125-T127 PolarHBondContact O-N 2.95Å; A125-R128 PolarHBondContact O-N 3.27Å
126W86.1Confident90.4Very high141 Ų14169 Ų6953%0.53435%0.35SS..G310 helixtrans-67.6-26.3177.270.5-91.7000113.9Y124 R128 T132Y124-W126 AromaticContact CD1-NE1 3.94Å; Y124-W126 PolarHBondContact O-N 3.2Å; W126-R128 PolarHBondContact O-N 3.39Å; W126-T132 HydrophobicContact CE3-CG2 3.77Å; W126-T132 HydrophobicContact CZ3-CG2 3.58Å; W126-T132 PolarHBondContact O-OG1 2.86Å
127T86.1Confident90.8Very high15 Ų1567.8 Ų67.89%0.09234%0.344CS..G310 helixtrans-73.3-18.1177.7660000112.3L116 Y124 A125 K129L116-T127 HydrophobicContact CD1-CG2 4.24Å; Y124-T127 PolarHBondContact O-N 3.42Å; Y124-T127 PolarHBondContact O-OG1 3.18Å; A125-T127 VanDerWaalsContact C-N 3.32Å; A125-T127 PolarHBondContact O-N 2.95Å; T127-K129 VanDerWaalsContact C-N 3.29Å; T127-K129 PolarHBondContact O-N 2.89Å
128R86.8Confident91.2Very high105 Ų10570.7 Ų70.740%0.39636%0.359SS..G310 helixtrans-90.814.9-179.5-6017355.5-160-3.6113.2A125 W126A125-R128 PolarHBondContact O-N 3.27Å; W126-R128 PolarHBondContact O-N 3.39Å
129K92.8Very high91.8Very high124 Ų12472 Ų7254%0.53937%0.368SS..SBendtrans-88.5138171-64.2-179.8179.7179.70109.2T127 S131 T132 A133T127-K129 VanDerWaalsContact C-N 3.29Å; T127-K129 PolarHBondContact O-N 2.89Å; K129-S131 PolarHBondContact O-N 2.84Å; K129-T132 WeakPolarHBondContact O-CB 3Å; K129-T132 PolarHBondContact O-N 3.17Å; K129-A133 PolarHBondContact O-N 2.99Å
130V94.9Very high92.2Very high40 Ų4071 Ų7124%0.24236%0.36CS..Hα-helixtrans-54.1-39.3174.2170.80000111.8I46 V54 T132 A133 A134I46-V130 HydrophobicContact CG2-CG1 4.07Å; V54-V130 HydrophobicContact CG2-CB 4.43Å; V54-V130 HydrophobicContact CG2-CG1 3.77Å; V130-T132 PolarHBondContact O-N 3.45Å; V130-A133 PolarHBondContact O-N 2.71Å; V130-A134 WeakPolarHBondContact O-CB 3.38Å; V130-A134 PolarHBondContact O-N 3.34Å
131S95.6Very high92.7Very high83 Ų8370.2 Ų70.258%0.5836%0.355SS*.Hα-helixtrans-62.1-41.2177.358.10000112.6K129 A134 M135K129-S131 PolarHBondContact O-N 2.84Å; S131-A134 PolarHBondContact O-N 3.09Å; S131-M135 WeakPolarHBondContact O-CB 3.43Å; S131-M135 PolarHBondContact O-N 3.1Å
132T96.1Very high93.4Very high14 Ų1471.8 Ų71.89%0.08636%0.363CS..Hα-helixtrans-66.8-45.7177.3-50.60000110.7W126 K129 V130 A134 M135 I136W126-T132 HydrophobicContact CE3-CG2 3.77Å; W126-T132 HydrophobicContact CZ3-CG2 3.58Å; W126-T132 PolarHBondContact O-OG1 2.86Å; K129-T132 WeakPolarHBondContact O-CB 3Å; K129-T132 PolarHBondContact O-N 3.17Å; V130-T132 PolarHBondContact O-N 3.45Å; T132-A134 VanDerWaalsContact C-N 3.31Å; T132-A134 PolarHBondContact O-N 3.37Å; T132-M135 HydrophobicContact CG2-CE 4.47Å; T132-M135 PolarHBondContact O-N 3.18Å; T132-I136 HydrophobicContact CG2-CD1 4.02Å; T132-I136 WeakPolarHBondContact O-CG1 3.37Å; T132-I136 PolarHBondContact O-N 2.94Å
133A96.6Very high94Very high0 Ų069.8 Ų69.80%035%0.353CS..Hα-helixtrans-62.3-38.117700000112.2D51 V54 Y55 K129 V130 S137D51-A133 HydrophobicContact CB-CB 4.19Å; V54-A133 HydrophobicContact CB-CB 3.85Å; V54-A133 HydrophobicContact CG1-CB 4.15Å; V54-A133 HydrophobicContact CG2-CB 4.06Å; Y55-A133 HydrophobicContact CE1-CB 4.01Å; Y55-A133 HydrophobicContact CE2-CB 4.05Å; K129-A133 PolarHBondContact O-N 2.99Å; V130-A133 PolarHBondContact O-N 2.71Å; A133-S137 WeakPolarHBondContact O-CB 3.28Å; A133-S137 PolarHBondContact O-N 3.1Å; A133-S137 PolarHBondContact O-OG 3.42Å
134A97.4Very high94.5Very high35 Ų3561.9 Ų61.929%0.28933%0.325SS..Hα-helixtrans-65.3-45.7174.900000111.6V54 V130 S131 T132 I136 S137 V138V54-A134 HydrophobicContact CG1-CB 4.3Å; V130-A134 WeakPolarHBondContact O-CB 3.38Å; V130-A134 PolarHBondContact O-N 3.34Å; S131-A134 PolarHBondContact O-N 3.09Å; T132-A134 VanDerWaalsContact C-N 3.31Å; T132-A134 PolarHBondContact O-N 3.37Å; A134-I136 PolarHBondContact O-N 3.21Å; A134-S137 PolarHBondContact O-N 3.46Å; A134-V138 WeakPolarHBondContact O-CG2 3.08Å; A134-V138 PolarHBondContact O-N 2.86Å
135M98Very high94.9Very high114 Ų11462.4 Ų62.456%0.56233%0.331SS*.Hα-helixtrans-59.3-47.4175.8-177.3-174.567.600111.6S131 T132 S137 V138 T139S131-M135 WeakPolarHBondContact O-CB 3.43Å; S131-M135 PolarHBondContact O-N 3.1Å; T132-M135 HydrophobicContact CG2-CE 4.47Å; T132-M135 PolarHBondContact O-N 3.18Å; M135-S137 VanDerWaalsContact C-N 3.29Å; M135-S137 PolarHBondContact O-N 3.26Å; M135-V138 PolarHBondContact O-N 3.03Å; M135-T139 PolarHBondContact O-N 3.07Å; M135-T139 PolarHBondContact O-OG1 3.28Å
136I97.9Very high95.5Very high53 Ų5361.5 Ų61.527%0.27233%0.327SS..Hα-helixtrans-58.3-44.1175.6-69.3166.3000110.5Y55 T132 A134 T139 I140Y55-I136 HydrophobicContact CE1-CB 4.4Å; Y55-I136 HydrophobicContact CE1-CG2 4.12Å; T132-I136 HydrophobicContact CG2-CD1 4.02Å; T132-I136 WeakPolarHBondContact O-CG1 3.37Å; T132-I136 PolarHBondContact O-N 2.94Å; A134-I136 PolarHBondContact O-N 3.21Å; I136-T139 PolarHBondContact O-N 2.85Å; I136-I140 HydrophobicContact CG2-CD1 3.89Å; I136-I140 WeakPolarHBondContact O-CG1 3.25Å; I136-I140 PolarHBondContact O-N 3.41Å
137S98.3Very high95.9Very high0 Ų058.2 Ų58.20%032%0.317CS..Hα-helixtrans-63.7-45.6-179.1-57.10000112H58 F106 A133 A134 M135 T139 I140 W141H58-S137 WeakPolarHBondContact CD2-CB 3.03Å; F106-S137 WeakPolarHBondContact CE1-OG 3.37Å; A133-S137 WeakPolarHBondContact O-CB 3.28Å; A133-S137 PolarHBondContact O-N 3.1Å; A133-S137 PolarHBondContact O-OG 3.42Å; A134-S137 PolarHBondContact O-N 3.46Å; M135-S137 VanDerWaalsContact C-N 3.29Å; M135-S137 PolarHBondContact O-N 3.26Å; S137-T139 VanDerWaalsContact C-N 3.34Å; S137-T139 PolarHBondContact O-N 3.31Å; S137-I140 WeakPolarHBondContact O-CB 3.47Å; S137-I140 PolarHBondContact O-N 3.38Å; S137-W141 PolarHBondContact O-N 3.37Å
138V98.3Very high96.2Very high83 Ų8357.5 Ų57.550%0.50331%0.312SS..Hα-helixtrans-61.2-43.4175.4171.80000110.9A134 M135 I140 W141 V142A134-V138 WeakPolarHBondContact O-CG2 3.08Å; A134-V138 PolarHBondContact O-N 2.86Å; M135-V138 PolarHBondContact O-N 3.03Å; V138-I140 VanDerWaalsContact C-N 3.32Å; V138-I140 PolarHBondContact O-N 2.73Å; V138-W141 PolarHBondContact O-N 3.36Å; V138-V142 HydrophobicContact CG1-CG2 4.4Å; V138-V142 WeakPolarHBondContact O-CG2 3.47Å; V138-V142 PolarHBondContact O-N 3.09Å
139T98.4Very high96.4Very high70 Ų7057 Ų5743%0.42932%0.321SS..Hα-helixtrans-59.1-42.6175.7-60.40000111.7M135 I136 S137 V142 L143M135-T139 PolarHBondContact O-N 3.07Å; M135-T139 PolarHBondContact O-OG1 3.28Å; I136-T139 PolarHBondContact O-N 2.85Å; S137-T139 VanDerWaalsContact C-N 3.34Å; S137-T139 PolarHBondContact O-N 3.31Å; T139-V142 PolarHBondContact O-N 3.2Å; T139-L143 HydrophobicContact CG2-CD1 3.78Å; T139-L143 HydrophobicContact CG2-CG 4.2Å; T139-L143 WeakPolarHBondContact O-CB 3.19Å; T139-L143 VanDerWaalsContact O-CG 3.27Å; T139-L143 WeakPolarHBondContact O-CG 3.09Å; T139-L143 PolarHBondContact O-N 3.33Å
140I98.3Very high96.4Very high22 Ų2256 Ų5611%0.11333%0.328CS..Hα-helixtrans-59.3-48.8175.7-71.4164.4000110.7T102 A105 F106 C109 I136 S137 V138 V142 L143 V144T102-I140 HydrophobicContact CG2-CG2 4.32Å; A105-I140 HydrophobicContact CB-CD1 4.17Å; A105-I140 HydrophobicContact CB-CG1 4.36Å; A105-I140 HydrophobicContact CB-CG2 3.65Å; F106-I140 HydrophobicContact CD1-CD1 4.28Å; F106-I140 HydrophobicContact CE1-CD1 3.99Å; F106-I140 HydrophobicContact CE2-CG2 4.43Å; F106-I140 HydrophobicContact CZ-CB 4.44Å; F106-I140 HydrophobicContact CZ-CG2 4.18Å; C109-I140 VanDerWaalsContact SG-CD1 3.52Å; I136-I140 HydrophobicContact CG2-CD1 3.89Å; I136-I140 WeakPolarHBondContact O-CG1 3.25Å; I136-I140 PolarHBondContact O-N 3.41Å; S137-I140 WeakPolarHBondContact O-CB 3.47Å; S137-I140 PolarHBondContact O-N 3.38Å; V138-I140 VanDerWaalsContact C-N 3.32Å; V138-I140 PolarHBondContact O-N 2.73Å; I140-V142 PolarHBondContact O-N 2.92Å; I140-L143 PolarHBondContact O-N 3.05Å; I140-V144 HydrophobicContact CG2-CG2 4.27Å; I140-V144 WeakPolarHBondContact O-CB 3.39Å; I140-V144 VanDerWaalsContact O-CG2 3.3Å; I140-V144 WeakPolarHBondContact O-CG2 3.5Å; I140-V144 PolarHBondContact O-N 3.12Å
141W98.1Very high96.1Very high40 Ų4054.7 Ų54.715%0.15232%0.32CS..Hα-helixtrans-57.4-48.9177.7-81.3104000112H58 T98 T102 F106 S137 V138 V144 M145H58-W141 AromaticContact CE1-NE1 3.93Å; H58-W141 AromaticContact CG-NE1 3.73Å; H58-W141 AromaticContact ND1-CD1 3.75Å; H58-W141 AromaticContact ND1-NE1 3.1Å; H58-W141 PolarHBondContact ND1-NE1 3.25Å; H58-W141 VanDerWaalsContact ND1-NE1 3.1Å; T98-W141 HydrophobicContact CG2-CE3 3.9Å; T98-W141 HydrophobicContact CG2-CH2 4.47Å; T98-W141 HydrophobicContact CG2-CZ3 3.47Å; T98-W141 VanDerWaalsContact CG2-CZ3 3.47Å; T102-W141 HydrophobicContact CG2-CD2 4.02Å; T102-W141 HydrophobicContact CG2-CE3 3.87Å; T102-W141 HydrophobicContact CG2-CH2 4.3Å; T102-W141 HydrophobicContact CG2-CZ2 4.41Å; T102-W141 HydrophobicContact CG2-CZ3 4.04Å; F106-W141 AromaticContact CE2-NE1 3.73Å; F106-W141 AromaticContact CZ-CD1 3.99Å; F106-W141 AromaticContact CZ-NE1 3.61Å; S137-W141 PolarHBondContact O-N 3.37Å; V138-W141 PolarHBondContact O-N 3.36Å; W141-V144 PolarHBondContact O-N 3.06Å; W141-M145 HydrophobicContact CE3-CE 3.38Å; W141-M145 HydrophobicContact CE3-CG 4.43Å; W141-M145 HydrophobicContact CE3-SD 4.1Å; W141-M145 HydrophobicContact CZ3-CE 3.61Å; W141-M145 VanDerWaalsContact O-CB 3.22Å; W141-M145 WeakPolarHBondContact O-CB 3.47Å; W141-M145 VanDerWaalsContact O-CG 3.25Å; W141-M145 WeakPolarHBondContact O-CG 3.42Å; W141-M145 PolarHBondContact O-N 3.18Å
142V98.2Very high95.7Very high95 Ų9551 Ų5158%0.57629%0.294SS*.Hα-helixtrans-62.2-45.6180171.80000111.4V138 T139 I140 G146V138-V142 HydrophobicContact CG1-CG2 4.4Å; V138-V142 WeakPolarHBondContact O-CG2 3.47Å; V138-V142 PolarHBondContact O-N 3.09Å; T139-V142 PolarHBondContact O-N 3.2Å; I140-V142 PolarHBondContact O-N 2.92Å; V142-G146 WeakPolarHBondContact O-CA 3.3Å; V142-G146 PolarHBondContact O-N 3.48Å
143L97.3Very high95.2Very high117 Ų11752.7 Ų52.761%0.61330%0.304SS*.Hα-helixtrans-65.5-45.3-180-71.6175.3000111.9T139 I140 F147T139-L143 HydrophobicContact CG2-CD1 3.78Å; T139-L143 HydrophobicContact CG2-CG 4.2Å; T139-L143 WeakPolarHBondContact O-CB 3.19Å; T139-L143 VanDerWaalsContact O-CG 3.27Å; T139-L143 WeakPolarHBondContact O-CG 3.09Å; T139-L143 PolarHBondContact O-N 3.33Å; I140-L143 PolarHBondContact O-N 3.05Å; L143-F147 VanDerWaalsContact O-CB 3.23Å; L143-F147 WeakPolarHBondContact O-CB 3.19Å; L143-F147 PolarHBondContact O-N 2.98Å
144V97.1Very high94.7Very high18 Ų1857.9 Ų57.911%0.10932%0.324CS..Hα-helixtrans-66.9-48.5179.9171.80000110.9T98 T102 I140 W141 F147 N148T98-V144 HydrophobicContact CG2-CG1 4.14Å; T102-V144 HydrophobicContact CG2-CB 4.07Å; T102-V144 HydrophobicContact CG2-CG1 4.01Å; T102-V144 HydrophobicContact CG2-CG2 4.15Å; I140-V144 HydrophobicContact CG2-CG2 4.27Å; I140-V144 WeakPolarHBondContact O-CB 3.39Å; I140-V144 VanDerWaalsContact O-CG2 3.3Å; I140-V144 WeakPolarHBondContact O-CG2 3.5Å; I140-V144 PolarHBondContact O-N 3.12Å; W141-V144 PolarHBondContact O-N 3.06Å; V144-F147 PolarHBondContact O-N 3.25Å; V144-N148 WeakPolarHBondContact O-CB 3.41Å; V144-N148 VanDerWaalsContact O-CG 3.31Å; V144-N148 PolarHBondContact O-N 3.29Å; V144-N148 PolarHBondContact O-ND2 3.46Å
145M96.2Very high93.9Very high89 Ų8963.9 Ų63.944%0.43835%0.346SS..Hα-helixtrans-62.4-45.8178.1-73.1173162.700111T98 W141 F147 N148 V149T98-M145 HydrophobicContact CG2-CE 4.23Å; T98-M145 HydrophobicContact CG2-CG 3.96Å; W141-M145 HydrophobicContact CE3-CE 3.38Å; W141-M145 HydrophobicContact CE3-CG 4.43Å; W141-M145 HydrophobicContact CE3-SD 4.1Å; W141-M145 HydrophobicContact CZ3-CE 3.61Å; W141-M145 VanDerWaalsContact O-CB 3.22Å; W141-M145 WeakPolarHBondContact O-CB 3.47Å; W141-M145 VanDerWaalsContact O-CG 3.25Å; W141-M145 WeakPolarHBondContact O-CG 3.42Å; W141-M145 PolarHBondContact O-N 3.18Å; M145-F147 PolarHBondContact O-N 3.33Å; M145-N148 PolarHBondContact O-N 3.12Å; M145-V149 WeakPolarHBondContact O-CB 3.28Å; M145-V149 VanDerWaalsContact O-CG2 3.29Å; M145-V149 WeakPolarHBondContact O-CG2 3.31Å; M145-V149 PolarHBondContact O-N 3.33Å
146G96.4Very high92.9Very high34 Ų3459.9 Ų59.935%0.35133%0.327SS..Hα-helixtrans-60.1-45.7177.200000112.2V142 N148 V149 C150V142-G146 WeakPolarHBondContact O-CA 3.3Å; V142-G146 PolarHBondContact O-N 3.48Å; G146-N148 PolarHBondContact O-N 3.12Å; G146-V149 PolarHBondContact O-N 3.26Å; G146-C150 PolarHBondContact O-N 3.44Å; G146-C150 PolarHBondContact O-SG 2.84Å
147F94.4Very high92.2Very high71 Ų7157.5 Ų57.531%0.31132%0.315SS..Hα-helixtrans-60.9-44.7175.9-173.9-88.5000111.8L143 V144 M145 C150 T151 A181 A184 R185L143-F147 VanDerWaalsContact O-CB 3.23Å; L143-F147 WeakPolarHBondContact O-CB 3.19Å; L143-F147 PolarHBondContact O-N 2.98Å; V144-F147 PolarHBondContact O-N 3.25Å; M145-F147 PolarHBondContact O-N 3.33Å; F147-C150 PolarHBondContact O-N 3.4Å; F147-T151 HydrophobicContact CD1-CG2 4.28Å; F147-T151 HydrophobicContact CE1-CG2 3.91Å; F147-T151 HydrophobicContact CE2-CG2 4.34Å; F147-T151 HydrophobicContact CZ-CG2 3.94Å; F147-T151 WeakPolarHBondContact O-CB 3.46Å; F147-T151 WeakPolarHBondContact O-CG2 3.4Å; F147-T151 PolarHBondContact O-N 3.46Å; F147-T151 PolarHBondContact O-OG1 3.41Å; F147-A181 HydrophobicContact CZ-CB 4.42Å; F147-A184 HydrophobicContact CE2-CB 4.36Å; F147-A184 HydrophobicContact CZ-CB 4.02Å; F147-R185 HydrophobicContact CE1-CG 3.78Å; F147-R185 HydrophobicContact CZ-CG 4.33Å
148N92.8Very high91.5Very high0 Ų058.1 Ų58.10%032%0.318CS..Hα-helixtrans-62.6-42.3176.9-75.7-22.8000111.5Y94 T98 V144 M145 G146 C150 T151 I152 R185Y94-N148 HydrophobicContact CD1-CB 4.05Å; Y94-N148 HydrophobicContact CE1-CB 4.08Å; Y94-N148 WeakPolarHBondContact CE1-O 3.38Å; T98-N148 WeakPolarHBondContact CA-ND2 3.37Å; T98-N148 PolarHBondContact N-ND2 3.3Å; T98-N148 PolarHBondContact OG1-ND2 3.06Å; T98-N148 VanDerWaalsContact OG1-ND2 3.12Å; V144-N148 WeakPolarHBondContact O-CB 3.41Å; V144-N148 VanDerWaalsContact O-CG 3.31Å; V144-N148 PolarHBondContact O-N 3.29Å; V144-N148 PolarHBondContact O-ND2 3.46Å; M145-N148 PolarHBondContact O-N 3.12Å; G146-N148 PolarHBondContact O-N 3.12Å; N148-C150 VanDerWaalsContact C-N 3.32Å; N148-C150 PolarHBondContact O-N 3.32Å; N148-T151 PolarHBondContact O-N 3.49Å; N148-T151 PolarHBondContact O-OG1 3.36Å; N148-I152 HydrophobicContact CB-CD1 3.85Å; N148-I152 VanDerWaalsContact O-CB 3.3Å; N148-I152 WeakPolarHBondContact O-CB 3.19Å; N148-I152 WeakPolarHBondContact O-CG1 3.31Å; N148-I152 PolarHBondContact O-N 2.95Å; N148-R185 PolarHBondContact OD1-NH2 3.34Å
149V92.4Very high90.7Very high95 Ų9558.5 Ų58.558%0.57631%0.311SS*.Hα-helixtrans-61.5-40.8178.3168.60000111.7Y94 M145 G146 T151Y94-V149 HydrophobicContact CE1-CB 4.38Å; Y94-V149 HydrophobicContact CE1-CG2 3.85Å; Y94-V149 WeakPolarHBondContact OH-CA 3.26Å; Y94-V149 PolarHBondContact OH-O 3.08Å; M145-V149 WeakPolarHBondContact O-CB 3.28Å; M145-V149 VanDerWaalsContact O-CG2 3.29Å; M145-V149 WeakPolarHBondContact O-CG2 3.31Å; M145-V149 PolarHBondContact O-N 3.33Å; G146-V149 PolarHBondContact O-N 3.26Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 2.84Å
150C91.3Very high89.9Confident102 Ų10261.2 Ų61.269%0.68932%0.318SS*.Hα-helixtrans-74.4-17.7180-66.10000114G146 F147 N148G146-C150 PolarHBondContact O-N 3.44Å; G146-C150 PolarHBondContact O-SG 2.84Å; F147-C150 PolarHBondContact O-N 3.4Å; N148-C150 VanDerWaalsContact C-N 3.32Å; N148-C150 PolarHBondContact O-N 3.32Å
151T89.2Confident89.1Confident13 Ų1362.5 Ų62.58%0.0833%0.326CS..Hα-helixtrans-117.9-22.7-170.355.90000113.8F147 N148 V149 M178 A181 R185F147-T151 HydrophobicContact CD1-CG2 4.28Å; F147-T151 HydrophobicContact CE1-CG2 3.91Å; F147-T151 HydrophobicContact CE2-CG2 4.34Å; F147-T151 HydrophobicContact CZ-CG2 3.94Å; F147-T151 WeakPolarHBondContact O-CB 3.46Å; F147-T151 WeakPolarHBondContact O-CG2 3.4Å; F147-T151 PolarHBondContact O-N 3.46Å; F147-T151 PolarHBondContact O-OG1 3.41Å; N148-T151 PolarHBondContact O-N 3.49Å; N148-T151 PolarHBondContact O-OG1 3.36Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 2.84Å; T151-M178 WeakPolarHBondContact O-CE 3.22Å; T151-A181 HydrophobicContact CG2-CB 3.65Å; T151-R185 PolarHBondContact OG1-NH2 2.98Å
152I87.9Confident88.1Confident6 Ų669.1 Ų69.13%0.03136%0.364CS..  trans-90.7103.4178-60.9171.3000109.3I93 Y94 Y97 N148 S157I93-I152 HydrophobicContact CG2-CD1 4.31Å; I93-I152 HydrophobicContact CG2-CG2 4.12Å; Y94-I152 HydrophobicContact CD1-CD1 3.93Å; Y94-I152 HydrophobicContact CD2-CG2 4.28Å; Y94-I152 HydrophobicContact CE1-CB 4Å; Y94-I152 HydrophobicContact CE1-CD1 4.01Å; Y94-I152 HydrophobicContact CE1-CG1 4.49Å; Y94-I152 HydrophobicContact CE1-CG2 4.47Å; Y94-I152 HydrophobicContact CE2-CB 4.12Å; Y94-I152 HydrophobicContact CE2-CG2 3.78Å; Y94-I152 HydrophobicContact CG-CD1 4.35Å; Y94-I152 PolarHBondContact OH-O 2.99Å; Y97-I152 HydrophobicContact CD2-CD1 3.58Å; Y97-I152 HydrophobicContact CD2-CG1 4.33Å; Y97-I152 HydrophobicContact CE2-CD1 4.31Å; Y97-I152 HydrophobicContact CG-CD1 4.14Å; N148-I152 HydrophobicContact CB-CD1 3.85Å; N148-I152 VanDerWaalsContact O-CB 3.3Å; N148-I152 WeakPolarHBondContact O-CB 3.19Å; N148-I152 WeakPolarHBondContact O-CG1 3.31Å; N148-I152 PolarHBondContact O-N 2.95Å; I152-S157 WeakPolarHBondContact CG2-OG 3.47Å
153T84.6Confident87Confident49 Ų4972.6 Ų72.630%0.30138%0.376SS..  trans-95.1158.6179.677.20000111.3D156 S157T153-D156 WeakPolarHBondContact OG1-CB 3.49Å; T153-D156 PolarHBondContact OG1-N 2.82Å; T153-D156 PolarHBondContact OG1-OD2 2.92Å; T153-S157 WeakPolarHBondContact O-CB 3.38Å; T153-S157 PolarHBondContact O-N 3.36Å; T153-S157 PolarHBondContact O-OG 3Å
154W85.6Confident86Confident109 Ų10970.1 Ų70.141%0.41336%0.361SS..SBendtrans-60.6-48.2174.5-177.7-85.3000111.9Y87 L90 D156 S157 Y158Y87-W154 HydrophobicContact CD1-CZ3 4.19Å; Y87-W154 HydrophobicContact CE1-CZ3 4.28Å; L90-W154 HydrophobicContact CD1-CD2 4.49Å; L90-W154 HydrophobicContact CD1-CE3 3.95Å; L90-W154 HydrophobicContact CD2-CE3 3.95Å; W154-D156 VanDerWaalsContact C-N 3.29Å; W154-D156 PolarHBondContact O-N 2.86Å; W154-S157 PolarHBondContact O-N 2.77Å; W154-Y158 AromaticContact CE2-CD1 3.72Å; W154-Y158 HydrophobicContact CH2-CD1 4.19Å; W154-Y158 AromaticContact CZ2-CD1 3.41Å; W154-Y158 HydrophobicContact CZ2-CD1 3.41Å; W154-Y158 VanDerWaalsContact CZ2-CD1 3.41Å; W154-Y158 AromaticContact CZ2-CE1 3.89Å; W154-Y158 HydrophobicContact CZ2-CE1 3.89Å; W154-Y158 HydrophobicContact CZ2-CG 4.29Å; W154-Y158 AromaticContact NE1-CD1 3.91Å; W154-Y158 PolarHBondContact O-N 3.22Å
155E81.6Confident85.2Confident161 Ų16170.1 Ų70.175%0.75236%0.361SS*.THydrogen-bonded Turntrans-62.8-34.1-175.3-62.1178178.400112.8S157E155-S157 VanDerWaalsContact C-N 3.32Å
156D77.6Confident84.3Confident31 Ų3167.5 Ų67.517%0.16635%0.349CS..THydrogen-bonded Turntrans-81.4-12.3177.6-66-54.8000113.1T153 W154 S175 M178T153-D156 WeakPolarHBondContact OG1-CB 3.49Å; T153-D156 PolarHBondContact OG1-N 2.82Å; T153-D156 PolarHBondContact OG1-OD2 2.92Å; W154-D156 VanDerWaalsContact C-N 3.29Å; W154-D156 PolarHBondContact O-N 2.86Å; D156-S175 WeakPolarHBondContact OD1-CB 3.16Å; D156-S175 PolarHBondContact OD1-OG 3.35Å; D156-S175 PolarHBondContact OD2-OG 2.88Å; D156-M178 HydrophobicContact CB-CE 3.43Å; D156-M178 VanDerWaalsContact CB-CE 3.43Å; D156-M178 HydrophobicContact CB-CG 4.02Å; D156-M178 VanDerWaalsContact CG-CG 3.45Å; D156-M178 WeakPolarHBondContact OD2-CE 3.35Å; D156-M178 WeakPolarHBondContact OD2-CG 3.37Å
157S81.7Confident83.6Confident3 Ų366.1 Ų66.12%0.02133%0.334CS..THydrogen-bonded Turntrans-115.8-32.5-166.9-63.20000114.1C89 L90 I152 T153 W154 E155 Y168C89-S157 PolarHBondContact SG-O 2.66Å; C89-S157 VanDerWaalsContact SG-O 3.32Å; L90-S157 VanDerWaalsContact CD1-CB 3.5Å; I152-S157 WeakPolarHBondContact CG2-OG 3.47Å; T153-S157 WeakPolarHBondContact O-CB 3.38Å; T153-S157 PolarHBondContact O-N 3.36Å; T153-S157 PolarHBondContact O-OG 3Å; W154-S157 PolarHBondContact O-N 2.77Å; E155-S157 VanDerWaalsContact C-N 3.32Å; S157-Y168 PolarHBondContact O-N 3.01Å
158Y84.5Confident82.6Confident13 Ų1364.6 Ų64.65%0.05133%0.326CS..EExtended strand (participates in β ladder)trans-136.8129.2-173.8-177.1-108000110.9W82 C89 W154 E160 L166W82-Y158 AromaticContact CD1-CE2 3.98Å; C89-Y158 HydrophobicContact CB-CD2 3.87Å; W154-Y158 AromaticContact CE2-CD1 3.72Å; W154-Y158 HydrophobicContact CH2-CD1 4.19Å; W154-Y158 AromaticContact CZ2-CD1 3.41Å; W154-Y158 HydrophobicContact CZ2-CD1 3.41Å; W154-Y158 VanDerWaalsContact CZ2-CD1 3.41Å; W154-Y158 AromaticContact CZ2-CE1 3.89Å; W154-Y158 HydrophobicContact CZ2-CE1 3.89Å; W154-Y158 HydrophobicContact CZ2-CG 4.29Å; W154-Y158 AromaticContact NE1-CD1 3.91Å; W154-Y158 PolarHBondContact O-N 3.22Å; Y158-E160 HydrophobicContact CE1-CB 3.62Å; Y158-E160 VanDerWaalsContact CE1-OE2 3.31Å; Y158-E160 WeakPolarHBondContact CE1-OE2 3.18Å; Y158-E160 VanDerWaalsContact CZ-OE2 3.32Å; Y158-E160 PolarHBondContact OH-OE2 3.41Å; Y158-L166 WeakPolarHBondContact CD2-O 3.39Å
159Y81Confident81.2Confident91 Ų9165.3 Ų65.336%0.35733%0.33SS..EExtended strand (participates in β ladder)trans-129130.8174.9175.3-98.9000109.5N161 F164 S165 L166Y159-N161 HydrophobicContact CE1-CB 4.34Å; Y159-N161 PolarHBondContact OH-ND2 2.96Å; Y159-F164 AromaticContact CD1-CE2 3.98Å; Y159-F164 HydrophobicContact CD1-CE2 3.98Å; Y159-F164 AromaticContact CE1-CE2 3.72Å; Y159-F164 HydrophobicContact CE1-CE2 3.72Å; Y159-F164 HydrophobicContact CE1-CZ 4.01Å; Y159-S165 CarbonylContact O-C 3.57Å; Y159-S165 WeakPolarHBondContact O-CA 3.47Å; Y159-L166 PolarHBondContact N-O 3.45Å; Y159-L166 VanDerWaalsContact N-O 3.09Å; Y159-L166 PolarHBondContact O-N 3.45Å
160E81.9Confident79.9Confident126 Ų12661.4 Ų61.459%0.58931%0.306SS*.EExtended strand (participates in β ladder)trans-138.6133.7178.2-178.7170.1-158.900110Y158Y158-E160 HydrophobicContact CE1-CB 3.62Å; Y158-E160 VanDerWaalsContact CE1-OE2 3.31Å; Y158-E160 WeakPolarHBondContact CE1-OE2 3.18Å; Y158-E160 VanDerWaalsContact CZ-OE2 3.32Å; Y158-E160 PolarHBondContact OH-OE2 3.41Å
161N81.2Confident78.1Confident50 Ų5059.8 Ų59.827%0.26729%0.287SS..  trans-135.9179.5168.670.225.9000110Y159 M163 F164Y159-N161 HydrophobicContact CE1-CB 4.34Å; Y159-N161 PolarHBondContact OH-ND2 2.96Å; N161-M163 PolarHBondContact O-N 2.67Å; N161-M163 WeakPolarHBondContact OD1-CA 3.43Å; N161-M163 PolarHBondContact OD1-N 3.26Å; N161-F164 PolarHBondContact N-O 2.72Å; N161-F164 PolarHBondContact O-N 2.9Å; N161-F164 PolarHBondContact OD1-N 3.45Å; N161-F164 PolarHBondContact OD1-O 2.87Å
162N77.4Confident76.7Confident179 Ų17961.6 Ų61.696%0.95730%0.296SS*.SBendtrans-62.2-11.7-177.4-66-17.8000114.9
163M75.6Confident75.6Confident167 Ų16766.4 Ų66.482%0.82333%0.327SS*.SBendtrans-108.1-34.6-177.3-62.2-135.1-60.200113.3N161N161-M163 PolarHBondContact O-N 2.67Å; N161-M163 WeakPolarHBondContact OD1-CA 3.43Å; N161-M163 PolarHBondContact OD1-N 3.26Å
164F74.9Confident74.9Confident66 Ų6666.4 Ų66.429%0.28933%0.325SS..  trans-161.1159.3-177.462.3-92.9000112.7Y159 N161 L166Y159-F164 AromaticContact CD1-CE2 3.98Å; Y159-F164 HydrophobicContact CD1-CE2 3.98Å; Y159-F164 AromaticContact CE1-CE2 3.72Å; Y159-F164 HydrophobicContact CE1-CE2 3.72Å; Y159-F164 HydrophobicContact CE1-CZ 4.01Å; N161-F164 PolarHBondContact N-O 2.72Å; N161-F164 PolarHBondContact O-N 2.9Å; N161-F164 PolarHBondContact OD1-N 3.45Å; N161-F164 PolarHBondContact OD1-O 2.87Å; F164-L166 HydrophobicContact CD2-CD1 4.11Å; F164-L166 HydrophobicContact CD2-CD2 4.39Å; F164-L166 HydrophobicContact CD2-CG 3.8Å; F164-L166 HydrophobicContact CE2-CD1 3.63Å; F164-L166 HydrophobicContact CE2-CG 3.86Å
165S81.3Confident74.6Confident18 Ų1862.9 Ų62.913%0.12632%0.318CS..EExtended strand (participates in β ladder)trans-120.8133173.844.90000110.2W82 Y159W82-S165 PolarHBondContact N-O 3.38Å; W82-S165 WeakPolarHBondContact O-CB 3.3Å; W82-S165 PolarHBondContact O-OG 3.39Å; Y159-S165 CarbonylContact O-C 3.57Å; Y159-S165 WeakPolarHBondContact O-CA 3.47Å
166L77.1Confident74.7Confident34 Ų3461.7 Ų61.718%0.17831%0.312CS..EExtended strand (participates in β ladder)trans-117.9134.9177.1-66.5175.1000109.8Y158 Y159 F164 D169Y158-L166 WeakPolarHBondContact CD2-O 3.39Å; Y159-L166 PolarHBondContact N-O 3.45Å; Y159-L166 VanDerWaalsContact N-O 3.09Å; Y159-L166 PolarHBondContact O-N 3.45Å; F164-L166 HydrophobicContact CD2-CD1 4.11Å; F164-L166 HydrophobicContact CD2-CD2 4.39Å; F164-L166 HydrophobicContact CD2-CG 3.8Å; F164-L166 HydrophobicContact CE2-CD1 3.63Å; F164-L166 HydrophobicContact CE2-CG 3.86Å; L166-D169 WeakPolarHBondContact CD1-OD2 3.41Å
167C81.6Confident74.9Confident5 Ų563.9 Ų63.93%0.03433%0.327CS..EExtended strand (participates in β ladder)trans-109.2131.7169.9-177.40000109.5W73 W82 C89W73-C167 HydrophobicContact CH2-CB 4.47Å; W82-C167 HydrophobicContact CB-CB 3.95Å; W82-C167 HydrophobicContact CD2-CB 3.37Å; W82-C167 HydrophobicContact CE3-CB 3.56Å; W82-C167 HydrophobicContact CG-CB 3.52Å; W82-C167 HydrophobicContact CZ3-CB 4.25Å; C89-C167 WeakPolarHBondContact CA-SG 3.23Å; C89-C167 HydrophobicContact CB-CB 3.73Å; C89-C167 WeakPolarHBondContact CB-SG 3.38Å; C89-C167 WeakPolarHBondContact SG-CA 2.94Å; C89-C167 WeakPolarHBondContact SG-CB 3.49Å; C89-C167 CovalentContact SG-SG 2.03Å; C89-C167 PolarHBondContact SG-SG 2.95Å
168Y72.7Confident74.9Confident39 Ų3964.6 Ų64.615%0.15333%0.33CS..SBendtrans62.969.5178.7-162.3-127.2000112.2W73 I93 Y97 S157 I170 Y263W73-Y168 HydrophobicContact CH2-CG 4.4Å; I93-Y168 HydrophobicContact CB-CD2 4.41Å; I93-Y168 HydrophobicContact CD1-CD2 3.66Å; I93-Y168 HydrophobicContact CD1-CG 4.14Å; I93-Y168 HydrophobicContact CG1-CD2 3.62Å; I93-Y168 HydrophobicContact CG1-CE2 4.39Å; I93-Y168 HydrophobicContact CG1-CG 4.03Å; I93-Y168 HydrophobicContact CG2-CD2 3.89Å; I93-Y168 HydrophobicContact CG2-CE2 3.9Å; Y97-Y168 AromaticContact CE2-CE2 3.75Å; Y97-Y168 HydrophobicContact CE2-CE2 3.75Å; Y97-Y168 VanDerWaalsContact CZ-OH 3.32Å; Y97-Y168 PolarHBondContact OH-OH 3.49Å; S157-Y168 PolarHBondContact O-N 3.01Å; Y168-I170 PolarHBondContact O-N 2.99Å; Y168-Y263 HydrophobicContact CE1-CE1 4.36Å; Y168-Y263 WeakPolarHBondContact CE1-OH 3.49Å; Y168-Y263 VanDerWaalsContact CZ-OH 3.26Å; Y168-Y263 PolarHBondContact OH-OH 3.18Å
169D63.4Low74.9Confident14 Ų1464.8 Ų64.88%0.07533%0.334CS..  trans-85.5109.9-171.5-161.5-21.9000112L166 F171 L172 R247L166-D169 WeakPolarHBondContact CD1-OD2 3.41Å; D169-F171 VanDerWaalsContact OD1-CA 3.29Å; D169-F171 WeakPolarHBondContact OD1-CA 3.37Å; D169-F171 WeakPolarHBondContact OD1-CB 3.37Å; D169-F171 WeakPolarHBondContact OD1-CD2 3.29Å; D169-F171 WeakPolarHBondContact OD1-CG 3.27Å; D169-F171 PolarHBondContact OD1-N 3.43Å; D169-L172 HydrophobicContact CB-CD1 4.19Å; D169-R247 PolarHBondContact O-NH2 3.17Å
170I64.8Low75.3Confident13 Ų1364.6 Ų64.67%0.06734%0.339CS..THydrogen-bonded Turntrans-76.9-16.8174.7-52.6160.8000111.1Y168 R247 F256 F259 L260 Y263Y168-I170 PolarHBondContact O-N 2.99Å; I170-R247 PolarHBondContact O-NH2 3.09Å; I170-R247 VanDerWaalsContact O-NH2 3.14Å; I170-F256 HydrophobicContact CB-CZ 4.3Å; I170-F256 HydrophobicContact CG2-CE2 4.13Å; I170-F256 HydrophobicContact CG2-CZ 3.84Å; I170-F256 WeakPolarHBondContact O-CE2 3.3Å; I170-F256 VanDerWaalsContact O-CZ 3.27Å; I170-F256 WeakPolarHBondContact O-CZ 3.46Å; I170-F259 HydrophobicContact CG2-CE1 3.99Å; I170-L260 HydrophobicContact CB-CD2 4.13Å; I170-L260 HydrophobicContact CD1-CD2 3.93Å; I170-L260 HydrophobicContact CG2-CD2 4.09Å; I170-Y263 HydrophobicContact CD1-CD1 3.29Å; I170-Y263 HydrophobicContact CD1-CE1 3.24Å; I170-Y263 HydrophobicContact CD1-CG 4.02Å; I170-Y263 HydrophobicContact CG1-CD1 4.41Å; I170-Y263 HydrophobicContact CG1-CE1 4.04Å
171F55.5Low75.7Confident69 Ų6958.9 Ų58.930%0.30331%0.313SS..THydrogen-bonded Turntrans-82.7-9.3-171.1-56.7-95.1000113.9F9 D169 F256 L260F9-F171 HydrophobicContact CD1-CD1 4.21Å; F9-F171 AromaticContact CD1-CE1 3.97Å; F9-F171 HydrophobicContact CD1-CE1 3.97Å; F9-F171 HydrophobicContact CD1-CZ 4.26Å; F9-F171 HydrophobicContact CE1-CD1 4.29Å; F9-F171 HydrophobicContact CE1-CE1 4.47Å; F9-F171 HydrophobicContact CE1-CG 4.44Å; D169-F171 VanDerWaalsContact OD1-CA 3.29Å; D169-F171 WeakPolarHBondContact OD1-CA 3.37Å; D169-F171 WeakPolarHBondContact OD1-CB 3.37Å; D169-F171 WeakPolarHBondContact OD1-CD2 3.29Å; D169-F171 WeakPolarHBondContact OD1-CG 3.27Å; D169-F171 PolarHBondContact OD1-N 3.43Å; F171-F256 HydrophobicContact CB-CZ 4.42Å; F171-F256 HydrophobicContact CD1-CD1 4.15Å; F171-F256 AromaticContact CD1-CE1 3.25Å; F171-F256 HydrophobicContact CD1-CE1 3.25Å; F171-F256 AromaticContact CD1-CZ 3.91Å; F171-F256 HydrophobicContact CD1-CZ 3.91Å; F171-F256 HydrophobicContact CE1-CD1 4.21Å; F171-F256 AromaticContact CE1-CE1 3.46Å; F171-F256 HydrophobicContact CE1-CE1 3.46Å; F171-F256 VanDerWaalsContact CE1-CE1 3.46Å; F171-F256 HydrophobicContact CE1-CZ 4.4Å; F171-F256 AromaticContact CG-CE1 3.95Å; F171-F256 HydrophobicContact CG-CE1 3.95Å; F171-F256 HydrophobicContact CG-CZ 4.17Å; F171-F256 HydrophobicContact CZ-CE1 4.28Å; F171-L260 HydrophobicContact CE1-CD1 3.63Å; F171-L260 HydrophobicContact CZ-CD1 3.63Å; F171-L260 HydrophobicContact CZ-CD2 4.17Å
172L58.3Low76.1Confident51 Ų5157 Ų5727%0.26730%0.304SS..SBendtrans-82.3143.1172.8-72.1164000111.3D169 L174 R247D169-L172 HydrophobicContact CB-CD1 4.19Å; L172-L174 PolarHBondContact O-N 2.97Å; L172-R247 PolarHBondContact O-NH2 3.49Å
173P64.8Low76.8Confident106 Ų10651.8 Ų51.869%0.68828%0.275SS*.PPolyproline II helixtrans-55.9132.4171.324.7-32.3000109S175P173-S175 PolarHBondContact O-N 3.32Å
174L71.4Confident77.6Confident49 Ų4945.2 Ų45.226%0.25725%0.248SC..PPolyproline II helixtrans-65.9121.4-175.4-158.870.8000109.2L172 M178 A179 M248L172-L174 PolarHBondContact O-N 2.97Å; L174-M178 HydrophobicContact CD1-CB 3.75Å; L174-M178 HydrophobicContact CG-CB 3.81Å; L174-A179 HydrophobicContact CD2-CB 3.92Å; L174-A179 HydrophobicContact CG-CB 4.48Å; L174-M248 HydrophobicContact CD2-CG 3.74Å
175S78.8Confident78.5Confident36 Ų3642.4 Ų42.425%0.25224%0.235SC..PPolyproline II helixtrans-59.7149.8173.771.30000110.2D156 P173 T177 M178 A179D156-S175 WeakPolarHBondContact OD1-CB 3.16Å; D156-S175 PolarHBondContact OD1-OG 3.35Å; D156-S175 PolarHBondContact OD2-OG 2.88Å; P173-S175 PolarHBondContact O-N 3.32Å; S175-T177 PolarHBondContact O-N 3.43Å; S175-M178 PolarHBondContact O-N 3.15Å; S175-M178 WeakPolarHBondContact OG-CB 3.43Å; S175-M178 VanDerWaalsContact OG-CG 3.25Å; S175-M178 WeakPolarHBondContact OG-CG 3.34Å; S175-M178 PolarHBondContact OG-N 3.48Å; S175-M178 VanDerWaalsContact OG-N 3.17Å; S175-A179 PolarHBondContact O-N 3.05Å
176Q82.8Confident79.1Confident136 Ų13643.5 Ų43.564%0.63624%0.238SC*.Hα-helixtrans-57.5-35.6178.5-172.863.150.700111.4A179 N180Q176-A179 PolarHBondContact O-N 2.96Å; Q176-N180 PolarHBondContact NE2-OD1 3.22Å; Q176-N180 WeakPolarHBondContact O-CB 3.41Å; Q176-N180 PolarHBondContact O-N 2.84Å; Q176-N180 PolarHBondContact O-OD1 3.45Å
177T82.6Confident79.9Confident77 Ų7747.1 Ų47.147%0.47225%0.252SS..Hα-helixtrans-60.8-46.8174-54.60000111.2S175 N180 A181S175-T177 PolarHBondContact O-N 3.43Å; T177-N180 PolarHBondContact O-N 3.35Å; T177-A181 VanDerWaalsContact O-CB 3.24Å; T177-A181 WeakPolarHBondContact O-CB 3.15Å; T177-A181 PolarHBondContact O-N 3.23Å
178M81.4Confident80.5Confident18 Ų1852.5 Ų52.59%0.08928%0.281CS..Hα-helixtrans-67.3-36.2177-77.3-63.6-173.800113.3T151 D156 L174 S175 A181 S182T151-M178 WeakPolarHBondContact O-CE 3.22Å; D156-M178 HydrophobicContact CB-CE 3.43Å; D156-M178 VanDerWaalsContact CB-CE 3.43Å; D156-M178 HydrophobicContact CB-CG 4.02Å; D156-M178 VanDerWaalsContact CG-CG 3.45Å; D156-M178 WeakPolarHBondContact OD2-CE 3.35Å; D156-M178 WeakPolarHBondContact OD2-CG 3.37Å; L174-M178 HydrophobicContact CD1-CB 3.75Å; L174-M178 HydrophobicContact CG-CB 3.81Å; S175-M178 PolarHBondContact O-N 3.15Å; S175-M178 WeakPolarHBondContact OG-CB 3.43Å; S175-M178 VanDerWaalsContact OG-CG 3.25Å; S175-M178 WeakPolarHBondContact OG-CG 3.34Å; S175-M178 PolarHBondContact OG-N 3.48Å; S175-M178 VanDerWaalsContact OG-N 3.17Å; M178-A181 PolarHBondContact O-N 2.98Å; M178-S182 VanDerWaalsContact O-CB 3.31Å; M178-S182 WeakPolarHBondContact O-CB 3.12Å; M178-S182 PolarHBondContact O-N 3.14Å; M178-S182 PolarHBondContact O-OG 2.95Å
179A85.4Confident81.3Confident17 Ų1750.9 Ų50.914%0.1428%0.276CS..Hα-helixtrans-61.9-51.5173.700000111.1L174 S175 Q176 A181 S182 I183 M248L174-A179 HydrophobicContact CD2-CB 3.92Å; L174-A179 HydrophobicContact CG-CB 4.48Å; S175-A179 PolarHBondContact O-N 3.05Å; Q176-A179 PolarHBondContact O-N 2.96Å; A179-A181 VanDerWaalsContact C-N 3.31Å; A179-A181 PolarHBondContact O-N 2.98Å; A179-S182 WeakPolarHBondContact O-CB 3.19Å; A179-S182 PolarHBondContact O-N 3.43Å; A179-S182 VanDerWaalsContact O-N 3.1Å; A179-I183 WeakPolarHBondContact O-CG1 3.29Å; A179-I183 PolarHBondContact O-N 3.22Å; A179-M248 HydrophobicContact CB-SD 4.16Å
180N89.2Confident82.7Confident87 Ų8751.7 Ų51.747%0.46528%0.279SS..Hα-helixtrans-60.5-42.2177.3-68.4-4.9000111.6Q176 T177 S182 I183 A184Q176-N180 PolarHBondContact NE2-OD1 3.22Å; Q176-N180 WeakPolarHBondContact O-CB 3.41Å; Q176-N180 PolarHBondContact O-N 2.84Å; Q176-N180 PolarHBondContact O-OD1 3.45Å; T177-N180 PolarHBondContact O-N 3.35Å; N180-S182 VanDerWaalsContact C-N 3.32Å; N180-S182 PolarHBondContact O-N 3.22Å; N180-I183 PolarHBondContact O-N 3.05Å; N180-A184 PolarHBondContact O-N 2.96Å
181A89.1Confident84.2Confident5 Ų553.1 Ų53.14%0.04129%0.288CS..Hα-helixtrans-64.9-37176.600000111.7F147 T151 T177 M178 A179 A184 R185F147-A181 HydrophobicContact CZ-CB 4.42Å; T151-A181 HydrophobicContact CG2-CB 3.65Å; T177-A181 VanDerWaalsContact O-CB 3.24Å; T177-A181 WeakPolarHBondContact O-CB 3.15Å; T177-A181 PolarHBondContact O-N 3.23Å; M178-A181 PolarHBondContact O-N 2.98Å; A179-A181 VanDerWaalsContact C-N 3.31Å; A179-A181 PolarHBondContact O-N 2.98Å; A181-A184 PolarHBondContact O-N 3.39Å; A181-R185 VanDerWaalsContact CB-NH1 3.27Å; A181-R185 VanDerWaalsContact O-CB 3.23Å; A181-R185 WeakPolarHBondContact O-CB 3.46Å; A181-R185 WeakPolarHBondContact O-CD 3.41Å; A181-R185 WeakPolarHBondContact O-CG 3.44Å; A181-R185 PolarHBondContact O-N 3.08Å
182S89.4Confident86.1Confident11 Ų1152.9 Ų52.98%0.07729%0.292CS..Hα-helixtrans-64.4-42.1175.8-60.80000111.3M178 A179 N180 R185 F186 M245M178-S182 VanDerWaalsContact O-CB 3.31Å; M178-S182 WeakPolarHBondContact O-CB 3.12Å; M178-S182 PolarHBondContact O-N 3.14Å; M178-S182 PolarHBondContact O-OG 2.95Å; A179-S182 WeakPolarHBondContact O-CB 3.19Å; A179-S182 PolarHBondContact O-N 3.43Å; A179-S182 VanDerWaalsContact O-N 3.1Å; N180-S182 VanDerWaalsContact C-N 3.32Å; N180-S182 PolarHBondContact O-N 3.22Å; S182-R185 WeakPolarHBondContact O-CB 3.38Å; S182-R185 PolarHBondContact O-N 3.16Å; S182-F186 WeakPolarHBondContact O-CB 3.4Å; S182-F186 PolarHBondContact O-N 3.48Å; S182-M245 WeakPolarHBondContact O-CE 3.26Å
183I92Very high87.8Confident69 Ų6950.9 Ų50.935%0.35428%0.282SS..Hα-helixtrans-61.5-50.1174.9-66.2166.5000110.2A179 N180 R185 F186 F187 M248A179-I183 WeakPolarHBondContact O-CG1 3.29Å; A179-I183 PolarHBondContact O-N 3.22Å; N180-I183 PolarHBondContact O-N 3.05Å; I183-R185 VanDerWaalsContact C-N 3.3Å; I183-R185 PolarHBondContact O-N 3.27Å; I183-F186 WeakPolarHBondContact O-CB 3.35Å; I183-F186 PolarHBondContact O-N 3.15Å; I183-F187 HydrophobicContact CG2-CD2 3.88Å; I183-F187 HydrophobicContact CG2-CE2 3.88Å; I183-F187 VanDerWaalsContact O-CD2 3.32Å; I183-F187 WeakPolarHBondContact O-CD2 3.49Å; I183-F187 PolarHBondContact O-N 3.44Å; I183-F187 VanDerWaalsContact O-N 3.1Å; I183-M248 HydrophobicContact CD1-CE 4.21Å; I183-M248 HydrophobicContact CD1-SD 4.32Å; I183-M248 HydrophobicContact CG1-CE 3.59Å; I183-M248 HydrophobicContact CG1-SD 3.86Å
184A93.5Very high89.3Confident30 Ų3047 Ų4725%0.24826%0.256CS..Hα-helixtrans-58.5-43.9178.400000111.6F147 N180 A181 F186 F187 L188F147-A184 HydrophobicContact CE2-CB 4.36Å; F147-A184 HydrophobicContact CZ-CB 4.02Å; N180-A184 PolarHBondContact O-N 2.96Å; A181-A184 PolarHBondContact O-N 3.39Å; A184-F186 PolarHBondContact O-N 2.9Å; A184-F187 PolarHBondContact O-N 2.85Å; A184-L188 VanDerWaalsContact O-CB 3.23Å; A184-L188 WeakPolarHBondContact O-CB 3.42Å; A184-L188 VanDerWaalsContact O-CG 3.32Å; A184-L188 WeakPolarHBondContact O-CG 3.45Å; A184-L188 PolarHBondContact O-N 3.36Å
185R92.9Very high90.5Very high6 Ų648.7 Ų48.72%0.02327%0.265CS..Hα-helixtrans-60.3-40.8175.3-80.2168.5170.4125.55.4113.2Y101 F147 N148 T151 A181 S182 I183 G189 H241Y101-R185 HydrophobicContact CE1-CB 4.12Å; Y101-R185 HydrophobicContact CE1-CG 4.05Å; Y101-R185 HydrophobicContact CE2-CG 3.91Å; Y101-R185 VanDerWaalsContact CZ-CG 3.43Å; Y101-R185 WeakPolarHBondContact OH-CB 3.38Å; Y101-R185 WeakPolarHBondContact OH-CD 3.5Å; Y101-R185 WeakPolarHBondContact OH-CG 3.32Å; F147-R185 HydrophobicContact CE1-CG 3.78Å; F147-R185 HydrophobicContact CZ-CG 4.33Å; N148-R185 PolarHBondContact OD1-NH2 3.34Å; T151-R185 PolarHBondContact OG1-NH2 2.98Å; A181-R185 VanDerWaalsContact CB-NH1 3.27Å; A181-R185 VanDerWaalsContact O-CB 3.23Å; A181-R185 WeakPolarHBondContact O-CB 3.46Å; A181-R185 WeakPolarHBondContact O-CD 3.41Å; A181-R185 WeakPolarHBondContact O-CG 3.44Å; A181-R185 PolarHBondContact O-N 3.08Å; S182-R185 WeakPolarHBondContact O-CB 3.38Å; S182-R185 PolarHBondContact O-N 3.16Å; I183-R185 VanDerWaalsContact C-N 3.3Å; I183-R185 PolarHBondContact O-N 3.27Å; R185-G189 WeakPolarHBondContact O-CA 3.43Å; R185-G189 PolarHBondContact O-N 3.33Å; R185-H241 PolarHBondContact O-CE1 3.43Å
186F93.9Very high91.3Very high41 Ų4150.1 Ų50.118%0.1827%0.269CS..Iπ-helixtrans-63.2-48.1176.8179.6-100.5000111.6S182 I183 A184 F190 V191 H241 M245S182-F186 WeakPolarHBondContact O-CB 3.4Å; S182-F186 PolarHBondContact O-N 3.48Å; I183-F186 WeakPolarHBondContact O-CB 3.35Å; I183-F186 PolarHBondContact O-N 3.15Å; A184-F186 PolarHBondContact O-N 2.9Å; F186-F190 HydrophobicContact CD2-CD1 4.45Å; F186-F190 AromaticContact CE2-CD1 3.9Å; F186-F190 HydrophobicContact CE2-CD1 3.9Å; F186-F190 HydrophobicContact CZ-CD1 4.3Å; F186-F190 WeakPolarHBondContact O-CA 3.25Å; F186-F190 WeakPolarHBondContact O-CB 3.45Å; F186-F190 PolarHBondContact O-N 3.29Å; F186-V191 HydrophobicContact CD1-CG2 3.93Å; F186-V191 HydrophobicContact CE1-CG2 3.51Å; F186-V191 HydrophobicContact CZ-CG2 3.97Å; F186-V191 PolarHBondContact O-N 3.31Å; F186-H241 HydrophobicContact CD2-CB 3.99Å; F186-H241 HydrophobicContact CE2-CB 4.38Å; F186-M245 HydrophobicContact CB-CE 3.74Å; F186-M245 HydrophobicContact CB-CG 4.11Å; F186-M245 HydrophobicContact CB-SD 3.69Å; F186-M245 HydrophobicContact CD1-CG 4.31Å; F186-M245 HydrophobicContact CD1-SD 4.16Å; F186-M245 HydrophobicContact CD2-CG 3.47Å; F186-M245 VanDerWaalsContact CD2-CG 3.47Å; F186-M245 HydrophobicContact CD2-SD 4.16Å; F186-M245 HydrophobicContact CE2-CG 3.91Å; F186-M245 HydrophobicContact CG-CE 4.37Å; F186-M245 HydrophobicContact CG-CG 3.7Å; F186-M245 HydrophobicContact CG-SD 3.74Å; F186-M245 HydrophobicContact CZ-CG 4.49Å
187F94.8Very high91.8Very high110 Ų11043.6 Ų43.648%0.48224%0.239SC..Iπ-helixtrans-72.3-47.2-179-74.5-73.8000112.7I183 A184 V191 V192I183-F187 HydrophobicContact CG2-CD2 3.88Å; I183-F187 HydrophobicContact CG2-CE2 3.88Å; I183-F187 VanDerWaalsContact O-CD2 3.32Å; I183-F187 WeakPolarHBondContact O-CD2 3.49Å; I183-F187 PolarHBondContact O-N 3.44Å; I183-F187 VanDerWaalsContact O-N 3.1Å; A184-F187 PolarHBondContact O-N 2.85Å; F187-V191 HydrophobicContact CD1-CB 4.19Å; F187-V191 HydrophobicContact CD1-CG1 4.47Å; F187-V191 HydrophobicContact CD1-CG2 4.03Å; F187-V191 HydrophobicContact CE1-CG2 4.42Å; F187-V191 PolarHBondContact O-N 3.47Å; F187-V192 WeakPolarHBondContact O-CB 3.38Å; F187-V192 WeakPolarHBondContact O-CG2 3.15Å; F187-V192 PolarHBondContact O-N 3.2Å
188L93.2Very high92.4Very high119 Ų11944.6 Ų44.662%0.62324%0.237SC*.Iπ-helixtrans-80.1-31.8-174.9-61176.9000113.2A184 P193A184-L188 VanDerWaalsContact O-CB 3.23Å; A184-L188 WeakPolarHBondContact O-CB 3.42Å; A184-L188 VanDerWaalsContact O-CG 3.32Å; A184-L188 WeakPolarHBondContact O-CG 3.45Å; A184-L188 PolarHBondContact O-N 3.36Å; L188-P193 WeakPolarHBondContact O-CD 3.31Å; L188-P193 WeakPolarHBondContact O-CG 3.28Å
189G89.9Confident93.1Very high5 Ų548.9 Ų48.95%0.05226%0.255CS..Iπ-helixtrans-93.1-27.3-18000000114E104 R185 P193E104-G189 WeakPolarHBondContact OE2-CA 3.33Å; R185-G189 WeakPolarHBondContact O-CA 3.43Å; R185-G189 PolarHBondContact O-N 3.33Å; G189-P193 WeakPolarHBondContact O-CG 3.37Å
190F93.3Very high93.4Very high31 Ų3148.5 Ų48.514%0.13625%0.251CS..Iπ-helixtrans-114.7-63.5-179.2-171-120.1000113.8F186 V192 V194 L234 H241F186-F190 HydrophobicContact CD2-CD1 4.45Å; F186-F190 AromaticContact CE2-CD1 3.9Å; F186-F190 HydrophobicContact CE2-CD1 3.9Å; F186-F190 HydrophobicContact CZ-CD1 4.3Å; F186-F190 WeakPolarHBondContact O-CA 3.25Å; F186-F190 WeakPolarHBondContact O-CB 3.45Å; F186-F190 PolarHBondContact O-N 3.29Å; F190-V192 PolarHBondContact O-N 2.88Å; F190-V194 HydrophobicContact CD2-CG2 3.86Å; F190-V194 HydrophobicContact CE2-CG2 3.59Å; F190-V194 HydrophobicContact CG-CG2 4.48Å; F190-V194 HydrophobicContact CZ-CG2 4.04Å; F190-V194 WeakPolarHBondContact O-CB 3.26Å; F190-V194 VanDerWaalsContact O-CG2 3.28Å; F190-V194 WeakPolarHBondContact O-CG2 3.31Å; F190-V194 PolarHBondContact O-N 3.01Å; F190-L234 HydrophobicContact CZ-CD2 4.28Å; F190-H241 HydrophobicContact CB-CB 4.12Å; F190-H241 HydrophobicContact CD1-CB 4.43Å; F190-H241 AromaticContact CD2-CD2 3.84Å; F190-H241 HydrophobicContact CG-CB 4.13Å; F190-H241 AromaticContact CG-CD2 3.87Å
191V95.8Very high93.4Very high42 Ų4245 Ų4526%0.25523%0.233SC..Iπ-helixtrans-62.5-51.6-169.5178.80000111.3F186 F187 V194 L195F186-V191 HydrophobicContact CD1-CG2 3.93Å; F186-V191 HydrophobicContact CE1-CG2 3.51Å; F186-V191 HydrophobicContact CZ-CG2 3.97Å; F186-V191 PolarHBondContact O-N 3.31Å; F187-V191 HydrophobicContact CD1-CB 4.19Å; F187-V191 HydrophobicContact CD1-CG1 4.47Å; F187-V191 HydrophobicContact CD1-CG2 4.03Å; F187-V191 HydrophobicContact CE1-CG2 4.42Å; F187-V191 PolarHBondContact O-N 3.47Å; V191-V194 PolarHBondContact O-N 3.09Å; V191-L195 HydrophobicContact CG1-CD1 3.99Å; V191-L195 WeakPolarHBondContact O-CB 3.41Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.37Å; V191-L195 PolarHBondContact O-N 3.21Å
192V95.7Very high93.5Very high64 Ų6451.6 Ų51.639%0.38826%0.257SS..Hα-helixtrans-62.3-50.4179.6168.40000111.2F187 F190 V194 L195 I196F187-V192 WeakPolarHBondContact O-CB 3.38Å; F187-V192 WeakPolarHBondContact O-CG2 3.15Å; F187-V192 PolarHBondContact O-N 3.2Å; F190-V192 PolarHBondContact O-N 2.88Å; V192-V194 PolarHBondContact O-N 3.49Å; V192-L195 PolarHBondContact O-N 3.01Å; V192-I196 HydrophobicContact CG1-CD1 3.64Å; V192-I196 HydrophobicContact CG1-CG1 4.33Å; V192-I196 VanDerWaalsContact O-CG1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.33Å; V192-I196 PolarHBondContact O-N 3Å
193P94.4Very high93.5Very high10 Ų1052.8 Ų52.87%0.06527%0.265CS..Hα-helixtrans-50.8-51.1172-40.947.4000115.1C108 L188 G189 L195 I196 V197 L233C108-P193 WeakPolarHBondContact SG-CA 3.24Å; C108-P193 WeakPolarHBondContact SG-CB 3.25Å; L188-P193 WeakPolarHBondContact O-CD 3.31Å; L188-P193 WeakPolarHBondContact O-CG 3.28Å; G189-P193 WeakPolarHBondContact O-CG 3.37Å; P193-L195 VanDerWaalsContact C-N 3.34Å; P193-L195 PolarHBondContact O-N 3.36Å; P193-I196 PolarHBondContact O-N 2.83Å; P193-V197 WeakPolarHBondContact O-CG2 3.46Å; P193-V197 PolarHBondContact O-N 3.41Å; P193-L233 HydrophobicContact CB-CD1 4.43Å
194V95.8Very high93.2Very high25 Ų2549.5 Ų49.515%0.15225%0.248CC..Hα-helixtrans-60.8-44.2179.5168.30000110.9F190 V191 V192 V197 F198 L233 L234F190-V194 HydrophobicContact CD2-CG2 3.86Å; F190-V194 HydrophobicContact CE2-CG2 3.59Å; F190-V194 HydrophobicContact CG-CG2 4.48Å; F190-V194 HydrophobicContact CZ-CG2 4.04Å; F190-V194 WeakPolarHBondContact O-CB 3.26Å; F190-V194 VanDerWaalsContact O-CG2 3.28Å; F190-V194 WeakPolarHBondContact O-CG2 3.31Å; F190-V194 PolarHBondContact O-N 3.01Å; V191-V194 PolarHBondContact O-N 3.09Å; V192-V194 PolarHBondContact O-N 3.49Å; V194-V197 PolarHBondContact O-N 2.86Å; V194-F198 WeakPolarHBondContact O-CB 3.45Å; V194-F198 PolarHBondContact O-N 3.03Å; V194-L233 HydrophobicContact CG2-CB 4.19Å; V194-L234 HydrophobicContact CG1-CD2 3.97Å; V194-L234 HydrophobicContact CG2-CD2 4.07Å
195L96.9Very high92.8Very high83 Ų8349.4 Ų49.444%0.43525%0.246SC..Hα-helixtrans-63.2-47177.5-69.5174.4000111.5V191 V192 P193 V197 F198 F199V191-L195 HydrophobicContact CG1-CD1 3.99Å; V191-L195 WeakPolarHBondContact O-CB 3.41Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.37Å; V191-L195 PolarHBondContact O-N 3.21Å; V192-L195 PolarHBondContact O-N 3.01Å; P193-L195 VanDerWaalsContact C-N 3.34Å; P193-L195 PolarHBondContact O-N 3.36Å; L195-V197 PolarHBondContact O-N 2.83Å; L195-F198 PolarHBondContact O-N 2.99Å; L195-F199 HydrophobicContact CB-CD2 4.39Å; L195-F199 HydrophobicContact CB-CE2 4.38Å; L195-F199 HydrophobicContact CD2-CE2 4.17Å; L195-F199 WeakPolarHBondContact O-CB 3.19Å; L195-F199 WeakPolarHBondContact O-CD2 3.24Å; L195-F199 PolarHBondContact O-N 3.22Å
196I95.3Very high92.5Very high66 Ų6653.8 Ų53.834%0.33827%0.269SS..Hα-helixtrans-57.1-50.1177.8-71.7170.5000110.5V112 V192 P193 S200V112-I196 HydrophobicContact CG2-CG2 3.4Å; V192-I196 HydrophobicContact CG1-CD1 3.64Å; V192-I196 HydrophobicContact CG1-CG1 4.33Å; V192-I196 VanDerWaalsContact O-CG1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.33Å; V192-I196 PolarHBondContact O-N 3Å; P193-I196 PolarHBondContact O-N 2.83Å; I196-S200 WeakPolarHBondContact O-CB 3.45Å; I196-S200 PolarHBondContact O-N 3.11Å; I196-S200 PolarHBondContact O-OG 3.48Å
197V94.4Very high92.1Very high0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-67.5-40.5-179.4174.80000111.3C108 A111 P193 V194 L195 S200 T201 V229 L230 L233C108-V197 HydrophobicContact CB-CG2 4.43Å; A111-V197 HydrophobicContact CB-CB 4.25Å; A111-V197 HydrophobicContact CB-CG1 4.06Å; A111-V197 HydrophobicContact CB-CG2 3.75Å; P193-V197 WeakPolarHBondContact O-CG2 3.46Å; P193-V197 PolarHBondContact O-N 3.41Å; V194-V197 PolarHBondContact O-N 2.86Å; L195-V197 PolarHBondContact O-N 2.83Å; V197-S200 PolarHBondContact O-N 3.5Å; V197-T201 WeakPolarHBondContact O-CB 3.23Å; V197-T201 PolarHBondContact O-N 2.92Å; V197-T201 PolarHBondContact O-OG1 3.39Å; V197-V229 HydrophobicContact CG1-CG1 3.93Å; V197-V229 HydrophobicContact CG2-CG1 4.31Å; V197-L230 HydrophobicContact CG1-CB 3.97Å; V197-L230 HydrophobicContact CG1-CD1 4.14Å; V197-L233 HydrophobicContact CB-CD1 3.87Å; V197-L233 HydrophobicContact CG1-CD1 4.3Å; V197-L233 HydrophobicContact CG2-CD1 3.46Å; V197-L233 VanDerWaalsContact CG2-CD1 3.46Å
198F95.1Very high91.5Very high98 Ų9848.1 Ų48.143%0.4325%0.25SC..Hα-helixtrans-60.8-51177.5176.5-99.2000111.5V194 L195 T201 R202 L230V194-F198 WeakPolarHBondContact O-CB 3.45Å; V194-F198 PolarHBondContact O-N 3.03Å; L195-F198 PolarHBondContact O-N 2.99Å; F198-T201 PolarHBondContact O-N 2.85Å; F198-R202 WeakPolarHBondContact O-CB 3.48Å; F198-R202 PolarHBondContact O-N 3.43Å; F198-L230 HydrophobicContact CB-CD1 4.46Å; F198-L230 HydrophobicContact CD2-CD2 4.3Å
199F94.4Very high90.9Very high107 Ų10749 Ų4947%0.46925%0.248SC..Hα-helixtrans-67.2-38.6178.9-74.1-62.7000112.4L195 S203L195-F199 HydrophobicContact CB-CD2 4.39Å; L195-F199 HydrophobicContact CB-CE2 4.38Å; L195-F199 HydrophobicContact CD2-CE2 4.17Å; L195-F199 WeakPolarHBondContact O-CB 3.19Å; L195-F199 WeakPolarHBondContact O-CD2 3.24Å; L195-F199 PolarHBondContact O-N 3.22Å; F199-S203 VanDerWaalsContact O-CB 3.26Å; F199-S203 WeakPolarHBondContact O-CB 3.12Å; F199-S203 PolarHBondContact O-N 2.89Å; F199-S203 PolarHBondContact O-OG 3Å
200S91.6Very high90.4Very high9 Ų952.7 Ų52.76%0.06328%0.279CS..Hα-helixtrans-61.8-46.2174.5-63.40000111I196 V197 T204I196-S200 WeakPolarHBondContact O-CB 3.45Å; I196-S200 PolarHBondContact O-N 3.11Å; I196-S200 PolarHBondContact O-OG 3.48Å; V197-S200 PolarHBondContact O-N 3.5Å; S200-T204 VanDerWaalsContact O-CB 3.24Å; S200-T204 WeakPolarHBondContact O-CB 3.37Å; S200-T204 PolarHBondContact O-N 2.97Å; S200-T204 PolarHBondContact O-OG1 3.47Å
201T89.3Confident89.6Confident13 Ų1355.3 Ų55.38%0.0829%0.294CS..Hα-helixtrans-61-52.5176.8-58.80000111V197 F198 S203 T204 C205 L226V197-T201 WeakPolarHBondContact O-CB 3.23Å; V197-T201 PolarHBondContact O-N 2.92Å; V197-T201 PolarHBondContact O-OG1 3.39Å; F198-T201 PolarHBondContact O-N 2.85Å; T201-S203 PolarHBondContact O-N 3.12Å; T201-T204 PolarHBondContact O-N 2.84Å; T201-C205 WeakPolarHBondContact O-CB 3.33Å; T201-C205 PolarHBondContact O-N 3.21Å; T201-C205 PolarHBondContact O-SG 3.31Å; T201-L226 HydrophobicContact CG2-CB 3.81Å
202R91.8Very high88.3Confident144 Ų14465.2 Ų65.254%0.54333%0.327SS..Hα-helixtrans-57.2-49.4179.5-178.2176.3178.1-109.11.4111.6F198 C205 L206F198-R202 WeakPolarHBondContact O-CB 3.48Å; F198-R202 PolarHBondContact O-N 3.43Å; R202-C205 PolarHBondContact O-N 3.35Å; R202-L206 HydrophobicContact CG-CD1 4.25Å; R202-L206 WeakPolarHBondContact O-CG 3.49Å; R202-L206 PolarHBondContact O-N 3.46Å
203S89.5Confident87Confident36 Ų3666.4 Ų66.425%0.25234%0.344SS..Hα-helixtrans-67.9-40.5-177.2-53.90000112.1F199 T201 L206 A207F199-S203 VanDerWaalsContact O-CB 3.26Å; F199-S203 WeakPolarHBondContact O-CB 3.12Å; F199-S203 PolarHBondContact O-N 2.89Å; F199-S203 PolarHBondContact O-OG 3Å; T201-S203 PolarHBondContact O-N 3.12Å; S203-L206 PolarHBondContact O-N 3.34Å; S203-A207 WeakPolarHBondContact O-CB 3.08Å; S203-A207 PolarHBondContact O-N 3.48Å
204T86.6Confident85.7Confident1 Ų167.3 Ų67.31%0.00635%0.349CS..Hα-helixtrans-61.7-50.9174.6-55.10000110Y115 V118 S200 T201 L206 A207 V208 I222 L226Y115-T204 VanDerWaalsContact CA-OG1 3.29Å; Y115-T204 WeakPolarHBondContact CA-OG1 3.39Å; V118-T204 HydrophobicContact CB-CG2 4.03Å; V118-T204 HydrophobicContact CG1-CG2 4.09Å; V118-T204 HydrophobicContact CG2-CG2 3.95Å; S200-T204 VanDerWaalsContact O-CB 3.24Å; S200-T204 WeakPolarHBondContact O-CB 3.37Å; S200-T204 PolarHBondContact O-N 2.97Å; S200-T204 PolarHBondContact O-OG1 3.47Å; T201-T204 PolarHBondContact O-N 2.84Å; T204-L206 VanDerWaalsContact C-N 3.31Å; T204-L206 PolarHBondContact O-N 3.48Å; T204-A207 PolarHBondContact O-N 3.31Å; T204-A207 VanDerWaalsContact O-N 3.16Å; T204-V208 HydrophobicContact CG2-CG2 4.1Å; T204-V208 VanDerWaalsContact O-CG2 3.29Å; T204-V208 WeakPolarHBondContact O-CG2 3.48Å; T204-V208 PolarHBondContact O-N 3.2Å; T204-I222 HydrophobicContact CG2-CG2 3.56Å; T204-L226 HydrophobicContact CG2-CD1 3.63Å
205C84.6Confident84.6Confident28 Ų2871.4 Ų71.419%0.18937%0.367CS..Hα-helixtrans-53.2-49.1177.8-75.30000111.4T201 R202 V208 K209T201-C205 WeakPolarHBondContact O-CB 3.33Å; T201-C205 PolarHBondContact O-N 3.21Å; T201-C205 PolarHBondContact O-SG 3.31Å; R202-C205 PolarHBondContact O-N 3.35Å; C205-V208 PolarHBondContact O-N 3.42Å; C205-K209 WeakPolarHBondContact O-CG 3.11Å; C205-K209 PolarHBondContact O-N 3.13Å
206L87.3Confident83.4Confident98 Ų9873.4 Ų73.451%0.51338%0.379SS..Hα-helixtrans-59.2-47.8177.5-71.4171.9000112.6R202 S203 T204 V208 K209 A210R202-L206 HydrophobicContact CG-CD1 4.25Å; R202-L206 WeakPolarHBondContact O-CG 3.49Å; R202-L206 PolarHBondContact O-N 3.46Å; S203-L206 PolarHBondContact O-N 3.34Å; T204-L206 VanDerWaalsContact C-N 3.31Å; T204-L206 PolarHBondContact O-N 3.48Å; L206-V208 PolarHBondContact O-N 3.19Å; L206-K209 PolarHBondContact O-N 2.89Å; L206-A210 PolarHBondContact O-N 2.94Å
207A84.3Confident82.3Confident29 Ų2976.2 Ų76.224%0.2439%0.39CS..Hα-helixtrans-63.3-41179.800000112.3V118 V119 S203 T204 A210 N211V118-A207 HydrophobicContact CG1-CB 3.91Å; V119-A207 HydrophobicContact CG2-CB 3.73Å; S203-A207 WeakPolarHBondContact O-CB 3.08Å; S203-A207 PolarHBondContact O-N 3.48Å; T204-A207 PolarHBondContact O-N 3.31Å; T204-A207 VanDerWaalsContact O-N 3.16Å; A207-A210 PolarHBondContact O-N 2.88Å; A207-N211 PolarHBondContact O-N 3.49Å; A207-N211 VanDerWaalsContact O-N 3.1Å
208V81.9Confident81.3Confident2 Ų281.1 Ų81.11%0.01241%0.413CS..Hα-helixtrans-70.2-32.1176.2-163.20000111.6V118 T204 C205 L206 A210 N211 T214 R219V118-V208 HydrophobicContact CG1-CG2 3.56Å; V118-V208 HydrophobicContact CG2-CG2 4.39Å; T204-V208 HydrophobicContact CG2-CG2 4.1Å; T204-V208 VanDerWaalsContact O-CG2 3.29Å; T204-V208 WeakPolarHBondContact O-CG2 3.48Å; T204-V208 PolarHBondContact O-N 3.2Å; C205-V208 PolarHBondContact O-N 3.42Å; L206-V208 PolarHBondContact O-N 3.19Å; V208-A210 VanDerWaalsContact C-N 3.3Å; V208-A210 PolarHBondContact O-N 2.91Å; V208-N211 PolarHBondContact O-N 3.45Å; V208-T214 HydrophobicContact CG1-CG2 3.85Å; V208-R219 HydrophobicContact CB-CB 4.47Å; V208-R219 HydrophobicContact CB-CG 4Å; V208-R219 HydrophobicContact CG1-CB 3.31Å; V208-R219 HydrophobicContact CG1-CG 3.29Å
209K80.3Confident80.3Confident137 Ų13780 Ų8060%0.59641%0.406SS*.Hα-helixtrans-64.3-35.9172.7-53.3-148179169.30112.7C205 L206 R219C205-K209 WeakPolarHBondContact O-CG 3.11Å; C205-K209 PolarHBondContact O-N 3.13Å; L206-K209 PolarHBondContact O-N 2.89Å; K209-R219 VanDerWaalsContact CA-CZ 3.46Å; K209-R219 VanDerWaalsContact CD-NH2 3.28Å
210A80.9Confident79.5Confident84 Ų8479.2 Ų79.269%0.69441%0.407SS*.Hα-helixtrans-76.8-29.3-178.500000112.8L206 A207 V208 R212L206-A210 PolarHBondContact O-N 2.94Å; A207-A210 PolarHBondContact O-N 2.88Å; V208-A210 VanDerWaalsContact C-N 3.3Å; V208-A210 PolarHBondContact O-N 2.91Å; A210-R212 PolarHBondContact O-N 3.03Å
211N75.8Confident78.9Confident85 Ų8580.8 Ų80.846%0.45541%0.411SS..  trans-86.299.6-175.5-172.76.3000112.8A207 V208 A213 T214A207-N211 PolarHBondContact O-N 3.49Å; A207-N211 VanDerWaalsContact O-N 3.1Å; V208-N211 PolarHBondContact O-N 3.45Å; N211-A213 PolarHBondContact O-N 3.33Å; N211-A213 WeakPolarHBondContact OD1-CB 3.28Å; N211-A213 PolarHBondContact OD1-N 2.9Å; N211-A213 VanDerWaalsContact OD1-N 3.07Å; N211-T214 PolarHBondContact ND2-OG1 3.09Å; N211-T214 VanDerWaalsContact ND2-OG1 3.1Å; N211-T214 PolarHBondContact O-N 2.82Å; N211-T214 PolarHBondContact O-OG1 3Å
212R67.8Low78.5Confident251 Ų25181 Ų8195%0.94741%0.412SS*.THydrogen-bonded Turntrans-64.5-15.8176.9-63.1-173.4-176.9-176.90.9114.5A210A210-R212 PolarHBondContact O-N 3.03Å
213A68.4Low78Confident89 Ų8975.4 Ų75.474%0.73640%0.395SS*.THydrogen-bonded Turntrans-85-11179.300000113.5N211N211-A213 PolarHBondContact O-N 3.33Å; N211-A213 WeakPolarHBondContact OD1-CB 3.28Å; N211-A213 PolarHBondContact OD1-N 2.9Å; N211-A213 VanDerWaalsContact OD1-N 3.07Å
214T68.2Low77.6Confident29 Ų2976.8 Ų76.818%0.17840%0.396CS..SBendtrans-80.8127.3176.3-42.30000109V208 N211 D216 E218 R219V208-T214 HydrophobicContact CG1-CG2 3.85Å; N211-T214 PolarHBondContact ND2-OG1 3.09Å; N211-T214 VanDerWaalsContact ND2-OG1 3.1Å; N211-T214 PolarHBondContact O-N 2.82Å; N211-T214 PolarHBondContact O-OG1 3Å; T214-D216 PolarHBondContact O-N 2.96Å; T214-E218 HydrophobicContact CG2-CB 4.21Å; T214-E218 HydrophobicContact CG2-CG 4.35Å; T214-R219 HydrophobicContact CG2-CB 4.46Å
215M72.9Confident77.6Confident110 Ų11076.9 Ų76.954%0.54240%0.397SS..  trans-59.1136.9173.6-67.6-172.371.300110.3E217 E218 R219M215-E217 PolarHBondContact O-N 2.89Å; M215-E217 VanDerWaalsContact O-N 3.11Å; M215-E218 PolarHBondContact O-N 3.28Å; M215-R219 PolarHBondContact O-N 2.75Å
216D72.3Confident77.7Confident125 Ų12575.6 Ų75.667%0.66839%0.388SS*.Hα-helixtrans-55.1-34.2-179.1-73.1-44.1000112.8T214 R219 L220T214-D216 PolarHBondContact O-N 2.96Å; D216-R219 PolarHBondContact O-N 3.44Å; D216-L220 WeakPolarHBondContact O-CB 3.38Å; D216-L220 PolarHBondContact O-N 2.69Å
217E71.4Confident77.7Confident125 Ų12574.1 Ų74.158%0.58438%0.383SS*.Hα-helixtrans-63.6-41.9174.9-67.7-170.9-178.100113.4M215 R221 R286M215-E217 PolarHBondContact O-N 2.89Å; M215-E217 VanDerWaalsContact O-N 3.11Å; E217-R221 VanDerWaalsContact O-CB 3.23Å; E217-R221 WeakPolarHBondContact O-CB 3.38Å; E217-R221 PolarHBondContact O-N 2.97Å; E217-R286 IonicContact OE2-CZ 3.68Å; E217-R286 IonicContact OE2-NE 3.98Å; E217-R286 IonicContact OE2-NH2 2.66Å; E217-R286 PolarHBondContact OE2-NH2 3.4Å
218E72.8Confident78Confident104 Ų10474.4 Ų74.449%0.48638%0.382SS..Hα-helixtrans-71.3-37.2179.3-174.8172.2-166.800110.7T214 M215 R221 I222T214-E218 HydrophobicContact CG2-CB 4.21Å; T214-E218 HydrophobicContact CG2-CG 4.35Å; M215-E218 PolarHBondContact O-N 3.28Å; E218-R221 WeakPolarHBondContact O-CB 3.47Å; E218-R221 PolarHBondContact O-N 3.03Å; E218-I222 HydrophobicContact CG-CD1 4.08Å; E218-I222 WeakPolarHBondContact O-CG1 3.5Å; E218-I222 PolarHBondContact O-N 3.34Å
219R75.3Confident78.4Confident73 Ų7374.3 Ų74.328%0.27538%0.381SS..Hα-helixtrans-60.8-50.8172.9171.2174.1176.1-168.3-13.1113V208 K209 T214 M215 D216 R221 I222 S223V208-R219 HydrophobicContact CB-CB 4.47Å; V208-R219 HydrophobicContact CB-CG 4Å; V208-R219 HydrophobicContact CG1-CB 3.31Å; V208-R219 HydrophobicContact CG1-CG 3.29Å; K209-R219 VanDerWaalsContact CA-CZ 3.46Å; K209-R219 VanDerWaalsContact CD-NH2 3.28Å; T214-R219 HydrophobicContact CG2-CB 4.46Å; M215-R219 PolarHBondContact O-N 2.75Å; D216-R219 PolarHBondContact O-N 3.44Å; R219-R221 PolarHBondContact O-N 3.11Å; R219-I222 PolarHBondContact O-N 2.97Å; R219-S223 WeakPolarHBondContact O-CB 3.28Å; R219-S223 PolarHBondContact O-N 2.95Å; R219-S223 PolarHBondContact O-OG 3.38Å
220L76Confident79Confident92 Ų9269.1 Ų69.148%0.48236%0.36SS..Hα-helixtrans-60-41.2178.8-179.162.3000110.2D216 S223 K224D216-L220 WeakPolarHBondContact O-CB 3.38Å; D216-L220 PolarHBondContact O-N 2.69Å; L220-S223 PolarHBondContact O-N 3.31Å; L220-K224 HydrophobicContact CD1-CD 4.41Å; L220-K224 HydrophobicContact CD1-CG 4.32Å; L220-K224 HydrophobicContact CG-CD 4.22Å; L220-K224 HydrophobicContact CG-CG 4.46Å; L220-K224 WeakPolarHBondContact O-CB 3.38Å; L220-K224 WeakPolarHBondContact O-CG 3.47Å; L220-K224 PolarHBondContact O-N 2.92Å
221R80Confident79.5Confident42 Ų4269.5 Ų69.516%0.15835%0.35CS..Hα-helixtrans-61.2-52.8178.4179.6-170.4-166.1124.836.1113.1E217 E218 R219 S223 K224 L225 C282 F283 I284 T285E217-R221 VanDerWaalsContact O-CB 3.23Å; E217-R221 WeakPolarHBondContact O-CB 3.38Å; E217-R221 PolarHBondContact O-N 2.97Å; E218-R221 WeakPolarHBondContact O-CB 3.47Å; E218-R221 PolarHBondContact O-N 3.03Å; R219-R221 PolarHBondContact O-N 3.11Å; R221-S223 VanDerWaalsContact C-N 3.25Å; R221-S223 PolarHBondContact O-N 3.49Å; R221-K224 PolarHBondContact O-N 3.36Å; R221-L225 WeakPolarHBondContact O-CB 3.4Å; R221-L225 PolarHBondContact O-N 2.68Å; R221-C282 PolarHBondContact NH2-O 3.01Å; R221-F283 WeakPolarHBondContact CD-O 3.37Å; R221-F283 WeakPolarHBondContact CG-O 3.48Å; R221-F283 PolarHBondContact NE-O 3.46Å; R221-I284 VanDerWaalsContact CZ-O 3.3Å; R221-I284 VanDerWaalsContact NE-C 3.28Å; R221-I284 PolarHBondContact NE-O 3.36Å; R221-I284 VanDerWaalsContact NE-O 3.09Å; R221-T285 VanDerWaalsContact CZ-CA 3.49Å; R221-T285 VanDerWaalsContact CZ-N 3.34Å; R221-T285 PolarHBondContact NH2-O 2.92Å
222I80.8Confident80.3Confident17 Ų1765.9 Ų65.99%0.08733%0.331CS..Hα-helixtrans-60.5-41.8180-67.8167.4000109.9V118 T204 E218 R219 L225 L226V118-I222 HydrophobicContact CG2-CD1 4.1Å; T204-I222 HydrophobicContact CG2-CG2 3.56Å; E218-I222 HydrophobicContact CG-CD1 4.08Å; E218-I222 WeakPolarHBondContact O-CG1 3.5Å; E218-I222 PolarHBondContact O-N 3.34Å; R219-I222 PolarHBondContact O-N 2.97Å; I222-L225 PolarHBondContact O-N 2.8Å; I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 WeakPolarHBondContact O-CB 3.27Å; I222-L226 WeakPolarHBondContact O-CG 3.47Å; I222-L226 PolarHBondContact O-N 2.9Å
223S80.3Confident81.5Confident27 Ų2754 Ų5419%0.18929%0.286CS..Hα-helixtrans-63.3-47.7177.6-52.80000111.5R219 L220 R221 L225 L226 T227R219-S223 WeakPolarHBondContact O-CB 3.28Å; R219-S223 PolarHBondContact O-N 2.95Å; R219-S223 PolarHBondContact O-OG 3.38Å; L220-S223 PolarHBondContact O-N 3.31Å; R221-S223 VanDerWaalsContact C-N 3.25Å; R221-S223 PolarHBondContact O-N 3.49Å; S223-L225 PolarHBondContact O-N 2.99Å; S223-L226 PolarHBondContact O-N 3.34Å; S223-T227 WeakPolarHBondContact O-CB 3.27Å; S223-T227 PolarHBondContact O-N 2.87Å; S223-T227 PolarHBondContact O-OG1 3.2Å
224K82.3Confident82.8Confident64 Ų6453.3 Ų53.328%0.27827%0.269SS..Hα-helixtrans-59.4-45.1177-78-174.1177.6-166.90111.9L220 R221 T227 V228 F283L220-K224 HydrophobicContact CD1-CD 4.41Å; L220-K224 HydrophobicContact CD1-CG 4.32Å; L220-K224 HydrophobicContact CG-CD 4.22Å; L220-K224 HydrophobicContact CG-CG 4.46Å; L220-K224 WeakPolarHBondContact O-CB 3.38Å; L220-K224 WeakPolarHBondContact O-CG 3.47Å; L220-K224 PolarHBondContact O-N 2.92Å; R221-K224 PolarHBondContact O-N 3.36Å; K224-T227 PolarHBondContact O-N 3.46Å; K224-V228 VanDerWaalsContact O-CG2 3.3Å; K224-V228 WeakPolarHBondContact O-CG2 3.08Å; K224-V228 PolarHBondContact O-N 3.49Å; K224-F283 HydrophobicContact CB-CD1 4.42Å; K224-F283 HydrophobicContact CD-CE1 4.46Å
225L86.4Confident84Confident4 Ų455.7 Ų55.72%0.02128%0.284CS..Hα-helixtrans-56.6-52.6176.5172.363000111.5R114 R221 I222 S223 T227 V228 V229 L280 F283 I284R114-L225 HydrophobicContact CG-CD2 4.06Å; R221-L225 WeakPolarHBondContact O-CB 3.4Å; R221-L225 PolarHBondContact O-N 2.68Å; I222-L225 PolarHBondContact O-N 2.8Å; S223-L225 PolarHBondContact O-N 2.99Å; L225-T227 VanDerWaalsContact C-N 3.32Å; L225-T227 PolarHBondContact O-N 2.85Å; L225-V228 PolarHBondContact O-N 3.44Å; L225-V228 VanDerWaalsContact O-N 3.15Å; L225-V229 HydrophobicContact CD1-CG2 4.28Å; L225-V229 WeakPolarHBondContact O-CG2 3.29Å; L225-V229 PolarHBondContact O-N 3.25Å; L225-L280 HydrophobicContact CD1-CB 4.28Å; L225-L280 HydrophobicContact CD1-CD2 3.63Å; L225-F283 HydrophobicContact CB-CB 4.14Å; L225-F283 HydrophobicContact CD1-CB 4.34Å; L225-I284 HydrophobicContact CD1-CD1 3.79Å; L225-I284 HydrophobicContact CD1-CG1 3.6Å; L225-I284 HydrophobicContact CD2-CD1 4.04Å; L225-I284 HydrophobicContact CD2-CG1 3.34Å; L225-I284 HydrophobicContact CG-CG1 4.06Å
226L87.3Confident85Confident0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-65.5-36.5-177.1-71.5174.1000112.2A111 R114 T201 T204 I222 S223 V229 L230A111-L226 HydrophobicContact CB-CD2 3.89Å; R114-L226 HydrophobicContact CB-CD1 4.36Å; R114-L226 HydrophobicContact CB-CD2 4.12Å; R114-L226 HydrophobicContact CG-CD2 4.35Å; T201-L226 HydrophobicContact CG2-CB 3.81Å; T204-L226 HydrophobicContact CG2-CD1 3.63Å; I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 WeakPolarHBondContact O-CB 3.27Å; I222-L226 WeakPolarHBondContact O-CG 3.47Å; I222-L226 PolarHBondContact O-N 2.9Å; S223-L226 PolarHBondContact O-N 3.34Å; L226-V229 PolarHBondContact O-N 3.48Å; L226-L230 WeakPolarHBondContact O-CB 3.07Å; L226-L230 PolarHBondContact O-N 2.76Å
227T87.3Confident86.1Confident67 Ų6745.2 Ų45.241%0.41123%0.231SC..Hα-helixtrans-62.3-44.7171-60.20000111.6S223 K224 L225 V229 L230 L231S223-T227 WeakPolarHBondContact O-CB 3.27Å; S223-T227 PolarHBondContact O-N 2.87Å; S223-T227 PolarHBondContact O-OG1 3.2Å; K224-T227 PolarHBondContact O-N 3.46Å; L225-T227 VanDerWaalsContact C-N 3.32Å; L225-T227 PolarHBondContact O-N 2.85Å; T227-V229 PolarHBondContact O-N 3.14Å; T227-L230 PolarHBondContact O-N 2.63Å; T227-L231 HydrophobicContact CG2-CD1 3.96Å; T227-L231 HydrophobicContact CG2-CG 4.3Å; T227-L231 WeakPolarHBondContact O-CB 3.28Å; T227-L231 VanDerWaalsContact O-CG 3.29Å; T227-L231 WeakPolarHBondContact O-CG 3.3Å; T227-L231 PolarHBondContact O-N 3.43Å
228V88.8Confident87.2Confident35 Ų3539.5 Ų39.521%0.21221%0.206CC..Hα-helixtrans-62.1-43176.8169.90000111.1K224 L225 L230 L231 C232 L280 F283K224-V228 VanDerWaalsContact O-CG2 3.3Å; K224-V228 WeakPolarHBondContact O-CG2 3.08Å; K224-V228 PolarHBondContact O-N 3.49Å; L225-V228 PolarHBondContact O-N 3.44Å; L225-V228 VanDerWaalsContact O-N 3.15Å; V228-L230 PolarHBondContact O-N 3.13Å; V228-L231 PolarHBondContact O-N 3.21Å; V228-C232 VanDerWaalsContact O-CB 3.3Å; V228-C232 WeakPolarHBondContact O-CB 3.46Å; V228-C232 PolarHBondContact O-N 3.15Å; V228-L280 HydrophobicContact CG1-CD2 3.89Å; V228-F283 HydrophobicContact CG2-CD2 4.15Å; V228-F283 HydrophobicContact CG2-CE2 4.05Å
229V91.6Very high88.3Confident0 Ų036.4 Ų36.40%020%0.195CC..Hα-helixtrans-59.5-46.8175.7173.80000110.9L107 I110 A111 V197 L225 L226 T227 C232 L233 L280L107-V229 HydrophobicContact CB-CG1 3.98Å; L107-V229 HydrophobicContact CD2-CG1 4.18Å; L107-V229 HydrophobicContact CD2-CG2 4.26Å; I110-V229 HydrophobicContact CG2-CG2 4.41Å; A111-V229 HydrophobicContact CB-CG1 4.42Å; V197-V229 HydrophobicContact CG1-CG1 3.93Å; V197-V229 HydrophobicContact CG2-CG1 4.31Å; L225-V229 HydrophobicContact CD1-CG2 4.28Å; L225-V229 WeakPolarHBondContact O-CG2 3.29Å; L225-V229 PolarHBondContact O-N 3.25Å; L226-V229 PolarHBondContact O-N 3.48Å; T227-V229 PolarHBondContact O-N 3.14Å; V229-C232 WeakPolarHBondContact O-CB 3.39Å; V229-C232 PolarHBondContact O-N 3.05Å; V229-L233 PolarHBondContact O-N 2.99Å; V229-L233 VanDerWaalsContact O-N 3.08Å; V229-L280 HydrophobicContact CG2-CD2 3.65Å
230L92.6Very high89.1Confident29 Ų2933.2 Ų33.215%0.15218%0.183CC..Hα-helixtrans-63.6-44.5178-179.361.6000112.1V197 F198 L226 T227 V228 C232 L233 L234V197-L230 HydrophobicContact CG1-CB 3.97Å; V197-L230 HydrophobicContact CG1-CD1 4.14Å; F198-L230 HydrophobicContact CB-CD1 4.46Å; F198-L230 HydrophobicContact CD2-CD2 4.3Å; L226-L230 WeakPolarHBondContact O-CB 3.07Å; L226-L230 PolarHBondContact O-N 2.76Å; T227-L230 PolarHBondContact O-N 2.63Å; V228-L230 PolarHBondContact O-N 3.13Å; L230-C232 VanDerWaalsContact C-N 3.3Å; L230-C232 PolarHBondContact O-N 3.3Å; L230-L233 PolarHBondContact O-N 3.27Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CG 4.34Å; L230-L234 HydrophobicContact CG-CD1 4.08Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 2.8Å
231L91.7Very high90Very high92 Ų9228.9 Ų28.948%0.48216%0.16SC..Hα-helixtrans-63.1-38.2176.6-73.2174.6000111.5T227 V228 L234 V235T227-L231 HydrophobicContact CG2-CD1 3.96Å; T227-L231 HydrophobicContact CG2-CG 4.3Å; T227-L231 WeakPolarHBondContact O-CB 3.28Å; T227-L231 VanDerWaalsContact O-CG 3.29Å; T227-L231 WeakPolarHBondContact O-CG 3.3Å; T227-L231 PolarHBondContact O-N 3.43Å; V228-L231 PolarHBondContact O-N 3.21Å; L231-L234 PolarHBondContact O-N 3.48Å; L231-V235 VanDerWaalsContact O-CB 3.27Å; L231-V235 WeakPolarHBondContact O-CB 3.18Å; L231-V235 WeakPolarHBondContact O-CG2 3.45Å; L231-V235 PolarHBondContact O-N 3.29Å
232C92.1Very high90.6Very high8 Ų830.4 Ų30.45%0.05417%0.174CC..Hα-helixtrans-60.4-49.6175.5-169.90000110.6L107 V228 V229 L230 L234 C236 F237 N273L107-C232 HydrophobicContact CD1-CB 4.34Å; V228-C232 VanDerWaalsContact O-CB 3.3Å; V228-C232 WeakPolarHBondContact O-CB 3.46Å; V228-C232 PolarHBondContact O-N 3.15Å; V229-C232 WeakPolarHBondContact O-CB 3.39Å; V229-C232 PolarHBondContact O-N 3.05Å; L230-C232 VanDerWaalsContact C-N 3.3Å; L230-C232 PolarHBondContact O-N 3.3Å; C232-L234 PolarHBondContact O-N 3.32Å; C232-C236 WeakPolarHBondContact O-CA 3.38Å; C232-C236 WeakPolarHBondContact O-CB 3.24Å; C232-C236 PolarHBondContact O-N 3.18Å; C232-F237 WeakPolarHBondContact O-CD2 3.48Å; C232-N273 PolarHBondContact SG-OD1 2.56Å
233L93.8Very high91.1Very high1 Ų129.7 Ų29.71%0.00517%0.171CC..Iπ-helixtrans-56.4-47.1174.7-70.5180000112.6E104 L107 P193 V194 V197 V229 L230 F237 G238E104-L233 HydrophobicContact CB-CD2 4.27Å; E104-L233 HydrophobicContact CG-CD2 4.1Å; L107-L233 HydrophobicContact CB-CD2 4.41Å; L107-L233 HydrophobicContact CD1-CD2 4.06Å; L107-L233 HydrophobicContact CD1-CG 4.49Å; P193-L233 HydrophobicContact CB-CD1 4.43Å; V194-L233 HydrophobicContact CG2-CB 4.19Å; V197-L233 HydrophobicContact CB-CD1 3.87Å; V197-L233 HydrophobicContact CG1-CD1 4.3Å; V197-L233 HydrophobicContact CG2-CD1 3.46Å; V197-L233 VanDerWaalsContact CG2-CD1 3.46Å; V229-L233 PolarHBondContact O-N 2.99Å; V229-L233 VanDerWaalsContact O-N 3.08Å; L230-L233 PolarHBondContact O-N 3.27Å; L233-F237 HydrophobicContact CD2-CD2 4.14Å; L233-F237 HydrophobicContact CD2-CE2 4.43Å; L233-F237 WeakPolarHBondContact O-CB 3.38Å; L233-F237 PolarHBondContact O-N 2.68Å; L233-G238 PolarHBondContact O-N 2.78Å
234L95.2Very high91.5Very high75 Ų7529 Ų2939%0.39316%0.164SC..Iπ-helixtrans-71.7-42.9-176.4-67.5174.6000113.2F190 V194 L230 L231 C232 G238 P239F190-L234 HydrophobicContact CZ-CD2 4.28Å; V194-L234 HydrophobicContact CG1-CD2 3.97Å; V194-L234 HydrophobicContact CG2-CD2 4.07Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CG 4.34Å; L230-L234 HydrophobicContact CG-CD1 4.08Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 2.8Å; L231-L234 PolarHBondContact O-N 3.48Å; C232-L234 PolarHBondContact O-N 3.32Å; L234-G238 WeakPolarHBondContact O-CA 3.15Å; L234-G238 PolarHBondContact O-N 3.46Å; L234-P239 WeakPolarHBondContact O-CD 3.27Å
235V94.1Very high91.8Very high80 Ų8027.4 Ų27.449%0.48516%0.158SC..Iπ-helixtrans-89-46.5-172.3178.50000111.4L231 P239 I269L231-V235 VanDerWaalsContact O-CB 3.27Å; L231-V235 WeakPolarHBondContact O-CB 3.18Å; L231-V235 WeakPolarHBondContact O-CG2 3.45Å; L231-V235 PolarHBondContact O-N 3.29Å; V235-P239 WeakPolarHBondContact O-CD 3.47Å; V235-P239 VanDerWaalsContact O-CG 3.28Å; V235-P239 WeakPolarHBondContact O-CG 2.98Å; V235-I269 HydrophobicContact CG1-CG2 4.42Å; V235-I269 WeakPolarHBondContact O-CG2 3.43Å
236C93.8Very high91.9Very high12 Ų1230 Ų308%0.08117%0.174CC..Iπ-helixtrans-77.1-43.7-177-56.80000110.9C232 S270 N273C232-C236 WeakPolarHBondContact O-CA 3.38Å; C232-C236 WeakPolarHBondContact O-CB 3.24Å; C232-C236 PolarHBondContact O-N 3.18Å; C236-S270 WeakPolarHBondContact O-CA 3.45Å; C236-S270 VanDerWaalsContact O-CB 3.28Å; C236-S270 WeakPolarHBondContact O-CB 3.03Å; C236-S270 PolarHBondContact O-N 2.84Å; C236-N273 HydrophobicContact CB-CB 4.3Å
237F94.7Very high91.8Very high2 Ų232 Ų321%0.00918%0.182CC..Iπ-helixtrans-98.7-35.6-171.3-58.7-94000113.7F100 E104 L107 C232 L233 I240 H241 N273F100-F237 AromaticContact CD2-CD1 3.63Å; F100-F237 HydrophobicContact CD2-CD1 3.63Å; F100-F237 AromaticContact CD2-CE1 3.8Å; F100-F237 HydrophobicContact CD2-CE1 3.8Å; F100-F237 HydrophobicContact CE1-CD1 4.24Å; F100-F237 HydrophobicContact CE2-CB 4.25Å; F100-F237 AromaticContact CE2-CD1 3.2Å; F100-F237 HydrophobicContact CE2-CD1 3.2Å; F100-F237 AromaticContact CE2-CE1 3.87Å; F100-F237 HydrophobicContact CE2-CE1 3.87Å; F100-F237 HydrophobicContact CE2-CG 4.1Å; F100-F237 HydrophobicContact CG-CD1 4.29Å; F100-F237 HydrophobicContact CG-CE1 4.37Å; F100-F237 HydrophobicContact CZ-CB 4.08Å; F100-F237 AromaticContact CZ-CD1 3.55Å; F100-F237 HydrophobicContact CZ-CD1 3.55Å; F100-F237 HydrophobicContact CZ-CE1 4.49Å; F100-F237 HydrophobicContact CZ-CG 4.29Å; F100-F237 WeakPolarHBondContact O-CE1 3.3Å; E104-F237 HydrophobicContact CG-CB 4.36Å; E104-F237 HydrophobicContact CG-CD1 3.23Å; E104-F237 HydrophobicContact CG-CD2 4.25Å; E104-F237 HydrophobicContact CG-CE1 3.43Å; E104-F237 VanDerWaalsContact CG-CE1 3.43Å; E104-F237 HydrophobicContact CG-CE2 4.35Å; E104-F237 HydrophobicContact CG-CG 3.71Å; E104-F237 HydrophobicContact CG-CZ 3.97Å; E104-F237 WeakPolarHBondContact OE1-CB 3.45Å; E104-F237 WeakPolarHBondContact OE1-CD1 3.39Å; E104-F237 WeakPolarHBondContact OE1-CG 3.11Å; L107-F237 HydrophobicContact CD1-CE2 3.79Å; L107-F237 HydrophobicContact CD1-CZ 4.28Å; C232-F237 WeakPolarHBondContact O-CD2 3.48Å; L233-F237 HydrophobicContact CD2-CD2 4.14Å; L233-F237 HydrophobicContact CD2-CE2 4.43Å; L233-F237 WeakPolarHBondContact O-CB 3.38Å; L233-F237 PolarHBondContact O-N 2.68Å; F237-I240 WeakPolarHBondContact O-CG2 3.47Å; F237-I240 PolarHBondContact O-N 3.39Å; F237-H241 PolarHBondContact O-CD2 3.39Å; F237-H241 VanDerWaalsContact O-CD2 3.25Å; F237-H241 PolarHBondContact O-N 2.77Å; F237-N273 HydrophobicContact CE2-CB 3.95Å; F237-N273 WeakPolarHBondContact CE2-OD1 3.3Å; F237-N273 HydrophobicContact CZ-CB 3.68Å; F237-N273 VanDerWaalsContact CZ-OD1 3.31Å; F237-N273 WeakPolarHBondContact CZ-OD1 3.24Å
238G95.1Very high91.5Very high6 Ų631.7 Ų31.76%0.06218%0.176CC..Hα-helixtrans-53.1-49.9-178.300000115.3L233 L234 I240 H241 V242L233-G238 PolarHBondContact O-N 2.78Å; L234-G238 WeakPolarHBondContact O-CA 3.15Å; L234-G238 PolarHBondContact O-N 3.46Å; G238-I240 VanDerWaalsContact C-N 3.32Å; G238-I240 PolarHBondContact O-N 2.82Å; G238-H241 PolarHBondContact O-N 3.48Å; G238-V242 WeakPolarHBondContact O-CG2 3.38Å; G238-V242 PolarHBondContact O-N 2.59Å
239P95.6Very high91.3Very high39 Ų3936.7 Ų36.725%0.25320%0.201SC..Hα-helixtrans-60.9-37.3-176.4-26.736.3000113.9L234 V235 S243 S266 I269L234-P239 WeakPolarHBondContact O-CD 3.27Å; V235-P239 WeakPolarHBondContact O-CD 3.47Å; V235-P239 VanDerWaalsContact O-CG 3.28Å; V235-P239 WeakPolarHBondContact O-CG 2.98Å; P239-S243 WeakPolarHBondContact O-CB 3.13Å; P239-S243 PolarHBondContact O-N 3.21Å; P239-S243 PolarHBondContact O-OG 3.36Å; P239-S266 WeakPolarHBondContact CB-OG 3.4Å; P239-S266 PolarHBondContact O-OG 3.44Å; P239-I269 HydrophobicContact CG-CG2 4.4Å
240I92.5Very high90.7Very high5 Ų539 Ų393%0.02621%0.213CC..Hα-helixtrans-76.4-36.1-178.9-173.963.2000111.4F100 F237 G238 S243 F244 Y263 T267F100-I240 HydrophobicContact CE1-CG2 4.48Å; F100-I240 HydrophobicContact CE2-CG2 3.35Å; F100-I240 HydrophobicContact CZ-CG2 3.32Å; F237-I240 WeakPolarHBondContact O-CG2 3.47Å; F237-I240 PolarHBondContact O-N 3.39Å; G238-I240 VanDerWaalsContact C-N 3.32Å; G238-I240 PolarHBondContact O-N 2.82Å; I240-S243 CarbonylContact O-C 3.6Å; I240-S243 WeakPolarHBondContact O-CA 3.36Å; I240-S243 WeakPolarHBondContact O-CB 3.22Å; I240-S243 PolarHBondContact O-N 2.92Å; I240-S243 VanDerWaalsContact O-N 3.12Å; I240-F244 HydrophobicContact CD1-CE1 4.1Å; I240-F244 HydrophobicContact CD1-CZ 4.16Å; I240-F244 HydrophobicContact CG1-CE1 4.19Å; I240-F244 HydrophobicContact CG1-CE2 4.02Å; I240-F244 HydrophobicContact CG1-CZ 3.77Å; I240-F244 WeakPolarHBondContact O-CG 3.36Å; I240-F244 PolarHBondContact O-N 3.08Å; I240-Y263 HydrophobicContact CD1-CD2 4.02Å; I240-Y263 HydrophobicContact CD1-CE2 3.75Å; I240-T267 WeakPolarHBondContact CD1-OG1 3.28Å
241H94.1Very high89.5Confident1 Ų144.5 Ų44.51%0.00524%0.243CC..Hα-helixtrans-60.7-44.7171-86.3-67.4000112.7F100 Y101 E104 R185 F186 F190 F237 G238 S243 F244 M245F100-H241 AromaticContact CE1-CD2 3.91Å; F100-H241 AromaticContact CE1-CE1 3.7Å; F100-H241 AromaticContact CE1-NE2 3.3Å; F100-H241 VanDerWaalsContact CE1-NE2 3.3Å; F100-H241 WeakPolarHBondContact CE1-NE2 3.29Å; F100-H241 AromaticContact CZ-CD2 3.69Å; F100-H241 AromaticContact CZ-NE2 3.55Å; Y101-H241 AromaticContact CE1-CE1 3.87Å; E104-H241 IonicContact OE1-CD2 3.97Å; E104-H241 PolarHBondContact OE1-CD2 3.06Å; E104-H241 IonicContact OE1-CE1 3.92Å; E104-H241 IonicContact OE1-NE2 2.73Å; E104-H241 PolarHBondContact OE1-NE2 2.83Å; E104-H241 IonicContact OE2-NE2 3.56Å; R185-H241 PolarHBondContact O-CE1 3.43Å; F186-H241 HydrophobicContact CD2-CB 3.99Å; F186-H241 HydrophobicContact CE2-CB 4.38Å; F190-H241 HydrophobicContact CB-CB 4.12Å; F190-H241 HydrophobicContact CD1-CB 4.43Å; F190-H241 AromaticContact CD2-CD2 3.84Å; F190-H241 HydrophobicContact CG-CB 4.13Å; F190-H241 AromaticContact CG-CD2 3.87Å; F237-H241 PolarHBondContact O-CD2 3.39Å; F237-H241 VanDerWaalsContact O-CD2 3.25Å; F237-H241 PolarHBondContact O-N 2.77Å; G238-H241 PolarHBondContact O-N 3.48Å; H241-S243 VanDerWaalsContact C-N 3.28Å; H241-S243 PolarHBondContact O-N 3.34Å; H241-F244 PolarHBondContact O-N 2.96Å; H241-M245 PolarHBondContact O-N 3.06Å; H241-M245 VanDerWaalsContact O-N 3.12Å
242V92.8Very high88.2Confident74 Ų7442 Ų4245%0.44824%0.24SC..Hα-helixtrans-61-41.4172.7173.20000110.4G238 F244 M245 V246G238-V242 WeakPolarHBondContact O-CG2 3.38Å; G238-V242 PolarHBondContact O-N 2.59Å; V242-F244 VanDerWaalsContact C-N 3.34Å; V242-F244 PolarHBondContact O-N 3.22Å; V242-M245 PolarHBondContact O-N 2.7Å; V242-M245 VanDerWaalsContact O-N 3.12Å; V242-V246 HydrophobicContact CG1-CG2 4.13Å; V242-V246 WeakPolarHBondContact O-CG2 3.44Å; V242-V246 PolarHBondContact O-N 2.86Å
243S91Very high87Confident3 Ų343.6 Ų43.62%0.02125%0.25CS..Hα-helixtrans-62.7-38.3177.3-61.20000112.5P239 I240 H241 M245 V246 R247 F259 S266P239-S243 WeakPolarHBondContact O-CB 3.13Å; P239-S243 PolarHBondContact O-N 3.21Å; P239-S243 PolarHBondContact O-OG 3.36Å; I240-S243 CarbonylContact O-C 3.6Å; I240-S243 WeakPolarHBondContact O-CA 3.36Å; I240-S243 WeakPolarHBondContact O-CB 3.22Å; I240-S243 PolarHBondContact O-N 2.92Å; I240-S243 VanDerWaalsContact O-N 3.12Å; H241-S243 VanDerWaalsContact C-N 3.28Å; H241-S243 PolarHBondContact O-N 3.34Å; S243-M245 VanDerWaalsContact C-N 3.32Å; S243-M245 PolarHBondContact O-N 3.49Å; S243-V246 PolarHBondContact O-N 3.17Å; S243-R247 PolarHBondContact O-N 3.49Å; S243-F259 VanDerWaalsContact O-CE2 3.23Å; S243-F259 WeakPolarHBondContact O-CE2 3.33Å; S243-F259 WeakPolarHBondContact O-CZ 3.49Å; S243-S266 PolarHBondContact OG-OG 3.21Å
244F89Confident85.7Confident11 Ų1149.7 Ų49.75%0.04828%0.279CS..Hα-helixtrans-62.3-39.6172.6-65.4-34.3000112.1Y97 I240 H241 V242 R247 Y263Y97-F244 HydrophobicContact CE1-CE2 4.13Å; Y97-F244 AromaticContact CE1-CZ 3.8Å; Y97-F244 HydrophobicContact CE1-CZ 3.8Å; I240-F244 HydrophobicContact CD1-CE1 4.1Å; I240-F244 HydrophobicContact CD1-CZ 4.16Å; I240-F244 HydrophobicContact CG1-CE1 4.19Å; I240-F244 HydrophobicContact CG1-CE2 4.02Å; I240-F244 HydrophobicContact CG1-CZ 3.77Å; I240-F244 WeakPolarHBondContact O-CG 3.36Å; I240-F244 PolarHBondContact O-N 3.08Å; H241-F244 PolarHBondContact O-N 2.96Å; V242-F244 VanDerWaalsContact C-N 3.34Å; V242-F244 PolarHBondContact O-N 3.22Å; F244-R247 WeakPolarHBondContact O-CB 3.34Å; F244-R247 PolarHBondContact O-N 2.67Å; F244-Y263 AromaticContact CD1-CE2 3.94Å; F244-Y263 HydrophobicContact CD1-CE2 3.94Å; F244-Y263 AromaticContact CE1-CE2 3.67Å; F244-Y263 HydrophobicContact CE1-CE2 3.67Å
245M89.4Confident84.6Confident32 Ų3248.9 Ų48.916%0.15828%0.279CS..Hα-helixtrans-68-46.2176.5-65.8-62.393.100112.4S182 F186 H241 V242 S243 R247 M248S182-M245 WeakPolarHBondContact O-CE 3.26Å; F186-M245 HydrophobicContact CB-CE 3.74Å; F186-M245 HydrophobicContact CB-CG 4.11Å; F186-M245 HydrophobicContact CB-SD 3.69Å; F186-M245 HydrophobicContact CD1-CG 4.31Å; F186-M245 HydrophobicContact CD1-SD 4.16Å; F186-M245 HydrophobicContact CD2-CG 3.47Å; F186-M245 VanDerWaalsContact CD2-CG 3.47Å; F186-M245 HydrophobicContact CD2-SD 4.16Å; F186-M245 HydrophobicContact CE2-CG 3.91Å; F186-M245 HydrophobicContact CG-CE 4.37Å; F186-M245 HydrophobicContact CG-CG 3.7Å; F186-M245 HydrophobicContact CG-SD 3.74Å; F186-M245 HydrophobicContact CZ-CG 4.49Å; H241-M245 PolarHBondContact O-N 3.06Å; H241-M245 VanDerWaalsContact O-N 3.12Å; V242-M245 PolarHBondContact O-N 2.7Å; V242-M245 VanDerWaalsContact O-N 3.12Å; S243-M245 VanDerWaalsContact C-N 3.32Å; S243-M245 PolarHBondContact O-N 3.49Å; M245-R247 PolarHBondContact O-N 3.22Å; M245-M248 HydrophobicContact CE-CE 3.54Å; M245-M248 HydrophobicContact CE-SD 4.13Å; M245-M248 WeakPolarHBondContact O-CB 3.34Å; M245-M248 PolarHBondContact O-N 3.48Å; M245-M248 VanDerWaalsContact O-N 3.12Å; M245-M248 HydrophobicContact SD-CE 3.54Å; M245-M248 VanDerWaalsContact SD-CE 3.54Å
246V87.7Confident83.7Confident58 Ų5846.6 Ų46.635%0.35226%0.263SS..Hα-helixtrans-59.6-38.9177.6172.20000110.5V242 S243 M248 L249 L250 F259V242-V246 HydrophobicContact CG1-CG2 4.13Å; V242-V246 WeakPolarHBondContact O-CG2 3.44Å; V242-V246 PolarHBondContact O-N 2.86Å; S243-V246 PolarHBondContact O-N 3.17Å; V246-M248 PolarHBondContact O-N 2.03Å; V246-M248 VanDerWaalsContact O-N 3.11Å; V246-L249 PolarHBondContact O-N 3.32Å; V246-L250 HydrophobicContact CG1-CD1 4.12Å; V246-L250 HydrophobicContact CG1-CD2 4.3Å; V246-L250 HydrophobicContact CG1-CG 4.09Å; V246-L250 WeakPolarHBondContact O-CG 3.31Å; V246-L250 PolarHBondContact O-N 3.37Å; V246-F259 HydrophobicContact CB-CD2 4.47Å; V246-F259 HydrophobicContact CB-CE2 4.18Å; V246-F259 HydrophobicContact CG1-CD2 3.87Å; V246-F259 HydrophobicContact CG1-CE2 4.06Å
247R84.3Confident82.9Confident42 Ų4249.3 Ų49.316%0.15827%0.273CS..Hα-helixtrans-51.5-37.4176.7-169.2176.9172.9-176.4-4.3112.9D169 I170 L172 S243 F244 M245 L249 F259D169-R247 PolarHBondContact O-NH2 3.17Å; I170-R247 PolarHBondContact O-NH2 3.09Å; I170-R247 VanDerWaalsContact O-NH2 3.14Å; L172-R247 PolarHBondContact O-NH2 3.49Å; S243-R247 PolarHBondContact O-N 3.49Å; F244-R247 WeakPolarHBondContact O-CB 3.34Å; F244-R247 PolarHBondContact O-N 2.67Å; M245-R247 PolarHBondContact O-N 3.22Å; R247-L249 PolarHBondContact O-N 2.79Å; R247-F259 HydrophobicContact CB-CE1 4.08Å; R247-F259 HydrophobicContact CB-CE2 4.38Å; R247-F259 HydrophobicContact CB-CZ 3.62Å; R247-F259 HydrophobicContact CG-CE1 4.05Å; R247-F259 HydrophobicContact CG-CZ 4.09Å
248M82.8Confident82.2Confident61 Ų6157.8 Ų57.830%0.331%0.306SS..THydrogen-bonded Turntrans-72.2-18.8-178.7-56-170.5-54.800113.4L174 A179 I183 M245 V246L174-M248 HydrophobicContact CD2-CG 3.74Å; A179-M248 HydrophobicContact CB-SD 4.16Å; I183-M248 HydrophobicContact CD1-CE 4.21Å; I183-M248 HydrophobicContact CD1-SD 4.32Å; I183-M248 HydrophobicContact CG1-CE 3.59Å; I183-M248 HydrophobicContact CG1-SD 3.86Å; M245-M248 HydrophobicContact CE-CE 3.54Å; M245-M248 HydrophobicContact CE-SD 4.13Å; M245-M248 WeakPolarHBondContact O-CB 3.34Å; M245-M248 PolarHBondContact O-N 3.48Å; M245-M248 VanDerWaalsContact O-N 3.12Å; M245-M248 HydrophobicContact SD-CE 3.54Å; M245-M248 VanDerWaalsContact SD-CE 3.54Å; V246-M248 PolarHBondContact O-N 2.03Å; V246-M248 VanDerWaalsContact O-N 3.11Å
249L83Confident81.8Confident140 Ų14057.9 Ų57.973%0.73330%0.304SS*.THydrogen-bonded Turntrans-102.1-2.7-176.5-57.1176.1000112.5V246 R247 D251V246-L249 PolarHBondContact O-N 3.32Å; R247-L249 PolarHBondContact O-N 2.79Å; L249-D251 PolarHBondContact O-N 3.46Å
250L80.1Confident81.2Confident48 Ų4856.2 Ų56.225%0.25129%0.293SS..  trans-86.6115.2-174.5-74172.9000111.7V246 F259V246-L250 HydrophobicContact CG1-CD1 4.12Å; V246-L250 HydrophobicContact CG1-CD2 4.3Å; V246-L250 HydrophobicContact CG1-CG 4.09Å; V246-L250 WeakPolarHBondContact O-CG 3.31Å; V246-L250 PolarHBondContact O-N 3.37Å; L250-F259 HydrophobicContact CD1-CB 3.38Å; L250-F259 HydrophobicContact CD1-CD1 3.41Å; L250-F259 VanDerWaalsContact CD1-CD1 3.41Å; L250-F259 HydrophobicContact CD1-CD2 3.46Å; L250-F259 VanDerWaalsContact CD1-CD2 3.46Å; L250-F259 HydrophobicContact CD1-CE1 4.02Å; L250-F259 HydrophobicContact CD1-CE2 4.05Å; L250-F259 HydrophobicContact CD1-CG 3.09Å; L250-F259 HydrophobicContact CD1-CZ 4.32Å
251D67.2Low80.8Confident144 Ų14457.8 Ų57.877%0.7730%0.301SS*.  trans-109.4137.6166.6-69.4-41.1000110.8L249 S255L249-D251 PolarHBondContact O-N 3.46Å; D251-S255 PolarHBondContact O-OG 3.19Å
252G64.2Low80.6Confident41 Ų4162.3 Ų62.342%0.42332%0.324SS..SBendtrans85160.4171.400000116.6F256G252-F256 PolarHBondContact O-N 3.34Å
253C65.8Low80.4Confident41 Ų4159.1 Ų59.128%0.27730%0.304SS..Hα-helixtrans-71.6-35.1-166.1-1630000115.1C8 F256 K257C8-C253 WeakPolarHBondContact CA-SG 3.18Å; C8-C253 HydrophobicContact CB-CB 4.33Å; C8-C253 WeakPolarHBondContact CB-SG 3.26Å; C8-C253 VanDerWaalsContact SG-CA 3.58Å; C8-C253 WeakPolarHBondContact SG-CB 3.35Å; C8-C253 CovalentContact SG-SG 2.03Å; C8-C253 PolarHBondContact SG-SG 2.83Å; C253-F256 WeakPolarHBondContact O-CB 3.39Å; C253-F256 PolarHBondContact O-N 3.31Å; C253-K257 PolarHBondContact O-N 3.49Å
254Q67.4Low80.3Confident128 Ų12862.4 Ų62.460%0.59832%0.318SS*.Hα-helixtrans-75-41.3-174.5-16971.3-13.600111.7F256 K257Q254-F256 PolarHBondContact O-N 2.71Å; Q254-K257 PolarHBondContact O-N 3.01Å
255S71.1Confident80.4Confident58 Ų5864.8 Ų64.841%0.40633%0.334SS..Hα-helixtrans-59-35.2173.2-44.30000111.1D251 F259D251-S255 PolarHBondContact O-OG 3.19Å; S255-F259 WeakPolarHBondContact O-CB 2.94Å; S255-F259 PolarHBondContact O-N 3.19Å
256F76.4Confident80.7Confident32 Ų3263.7 Ų63.714%0.1433%0.329CS..Hα-helixtrans-66.4-37.7-179.7-162.1-97.6000113.6I170 F171 G252 C253 Q254 F259 L260I170-F256 HydrophobicContact CB-CZ 4.3Å; I170-F256 HydrophobicContact CG2-CE2 4.13Å; I170-F256 HydrophobicContact CG2-CZ 3.84Å; I170-F256 WeakPolarHBondContact O-CE2 3.3Å; I170-F256 VanDerWaalsContact O-CZ 3.27Å; I170-F256 WeakPolarHBondContact O-CZ 3.46Å; F171-F256 HydrophobicContact CB-CZ 4.42Å; F171-F256 HydrophobicContact CD1-CD1 4.15Å; F171-F256 AromaticContact CD1-CE1 3.25Å; F171-F256 HydrophobicContact CD1-CE1 3.25Å; F171-F256 AromaticContact CD1-CZ 3.91Å; F171-F256 HydrophobicContact CD1-CZ 3.91Å; F171-F256 HydrophobicContact CE1-CD1 4.21Å; F171-F256 AromaticContact CE1-CE1 3.46Å; F171-F256 HydrophobicContact CE1-CE1 3.46Å; F171-F256 VanDerWaalsContact CE1-CE1 3.46Å; F171-F256 HydrophobicContact CE1-CZ 4.4Å; F171-F256 AromaticContact CG-CE1 3.95Å; F171-F256 HydrophobicContact CG-CE1 3.95Å; F171-F256 HydrophobicContact CG-CZ 4.17Å; F171-F256 HydrophobicContact CZ-CE1 4.28Å; G252-F256 PolarHBondContact O-N 3.34Å; C253-F256 WeakPolarHBondContact O-CB 3.39Å; C253-F256 PolarHBondContact O-N 3.31Å; Q254-F256 PolarHBondContact O-N 2.71Å; F256-F259 PolarHBondContact O-N 3.43Å; F256-L260 HydrophobicContact CD1-CD1 3.75Å; F256-L260 HydrophobicContact CD1-CD2 4.46Å; F256-L260 HydrophobicContact CD1-CG 3.89Å; F256-L260 HydrophobicContact CE1-CD1 3.56Å; F256-L260 HydrophobicContact CE1-CD2 3.69Å; F256-L260 HydrophobicContact CE1-CG 3.6Å; F256-L260 HydrophobicContact CZ-CD2 3.93Å; F256-L260 HydrophobicContact CZ-CG 4.23Å; F256-L260 WeakPolarHBondContact O-CG 3.27Å; F256-L260 PolarHBondContact O-N 3.12Å
257K76.6Confident80.8Confident70 Ų7062 Ų6230%0.30432%0.319SS..Hα-helixtrans-63.8-49.5-179.1-72.3179.5-179173.80112.7L10 C253 Q254 F259 L260L10-K257 HydrophobicContact CD1-CB 4.12Å; L10-K257 WeakPolarHBondContact CD1-O 2.97Å; C253-K257 PolarHBondContact O-N 3.49Å; Q254-K257 PolarHBondContact O-N 3.01Å; K257-F259 VanDerWaalsContact C-N 3.33Å; K257-L260 PolarHBondContact O-N 3.31Å
258W80.6Confident81.3Confident180 Ų18060.4 Ų60.468%0.68231%0.314SS*.Hα-helixtrans-66-38.8177.4-72108000111.7L260 I261 I262W258-L260 PolarHBondContact O-N 3.45Å; W258-I261 HydrophobicContact CE3-CD1 4.16Å; W258-I261 HydrophobicContact CZ3-CD1 4.41Å; W258-I261 PolarHBondContact O-N 2.9Å; W258-I262 PolarHBondContact O-N 2.88Å
259F85.4Confident81.8Confident7 Ų759.8 Ų59.83%0.03131%0.312CS..Hα-helixtrans-58.8-44.3175.5171.9-107.9000113.1I170 S243 V246 R247 L250 S255 F256 K257 I261 I262 Y263I170-F259 HydrophobicContact CG2-CE1 3.99Å; S243-F259 VanDerWaalsContact O-CE2 3.23Å; S243-F259 WeakPolarHBondContact O-CE2 3.33Å; S243-F259 WeakPolarHBondContact O-CZ 3.49Å; V246-F259 HydrophobicContact CB-CD2 4.47Å; V246-F259 HydrophobicContact CB-CE2 4.18Å; V246-F259 HydrophobicContact CG1-CD2 3.87Å; V246-F259 HydrophobicContact CG1-CE2 4.06Å; R247-F259 HydrophobicContact CB-CE1 4.08Å; R247-F259 HydrophobicContact CB-CE2 4.38Å; R247-F259 HydrophobicContact CB-CZ 3.62Å; R247-F259 HydrophobicContact CG-CE1 4.05Å; R247-F259 HydrophobicContact CG-CZ 4.09Å; L250-F259 HydrophobicContact CD1-CB 3.38Å; L250-F259 HydrophobicContact CD1-CD1 3.41Å; L250-F259 VanDerWaalsContact CD1-CD1 3.41Å; L250-F259 HydrophobicContact CD1-CD2 3.46Å; L250-F259 VanDerWaalsContact CD1-CD2 3.46Å; L250-F259 HydrophobicContact CD1-CE1 4.02Å; L250-F259 HydrophobicContact CD1-CE2 4.05Å; L250-F259 HydrophobicContact CD1-CG 3.09Å; L250-F259 HydrophobicContact CD1-CZ 4.32Å; S255-F259 WeakPolarHBondContact O-CB 2.94Å; S255-F259 PolarHBondContact O-N 3.19Å; F256-F259 PolarHBondContact O-N 3.43Å; K257-F259 VanDerWaalsContact C-N 3.33Å; F259-I261 PolarHBondContact O-N 3.45Å; F259-I262 CarbonylContact O-C 3.42Å; F259-I262 WeakPolarHBondContact O-CB 3.44Å; F259-I262 PolarHBondContact O-N 2.8Å; F259-I262 VanDerWaalsContact O-N 3.08Å; F259-Y263 HydrophobicContact CE1-CD2 4.42Å; F259-Y263 AromaticContact CZ-CD2 3.93Å; F259-Y263 HydrophobicContact CZ-CD2 3.93Å; F259-Y263 HydrophobicContact CZ-CG 4.43Å; F259-Y263 WeakPolarHBondContact O-CB 3.47Å; F259-Y263 PolarHBondContact O-N 3.31Å
260L83Confident82.3Confident4 Ų453.9 Ų53.92%0.02128%0.283CS..Hα-helixtrans-56.9-37177.7-77173000112.7L10 I170 F171 F256 K257 W258 K264L10-L260 HydrophobicContact CB-CD1 3.87Å; L10-L260 HydrophobicContact CD1-CB 4.1Å; L10-L260 HydrophobicContact CD1-CD1 4.22Å; I170-L260 HydrophobicContact CB-CD2 4.13Å; I170-L260 HydrophobicContact CD1-CD2 3.93Å; I170-L260 HydrophobicContact CG2-CD2 4.09Å; F171-L260 HydrophobicContact CE1-CD1 3.63Å; F171-L260 HydrophobicContact CZ-CD1 3.63Å; F171-L260 HydrophobicContact CZ-CD2 4.17Å; F256-L260 HydrophobicContact CD1-CD1 3.75Å; F256-L260 HydrophobicContact CD1-CD2 4.46Å; F256-L260 HydrophobicContact CD1-CG 3.89Å; F256-L260 HydrophobicContact CE1-CD1 3.56Å; F256-L260 HydrophobicContact CE1-CD2 3.69Å; F256-L260 HydrophobicContact CE1-CG 3.6Å; F256-L260 HydrophobicContact CZ-CD2 3.93Å; F256-L260 HydrophobicContact CZ-CG 4.23Å; F256-L260 WeakPolarHBondContact O-CG 3.27Å; F256-L260 PolarHBondContact O-N 3.12Å; K257-L260 PolarHBondContact O-N 3.31Å; W258-L260 PolarHBondContact O-N 3.45Å; L260-K264 WeakPolarHBondContact O-CB 3.27Å; L260-K264 WeakPolarHBondContact O-CG 3.32Å; L260-K264 PolarHBondContact O-N 3.3Å
261I84.6Confident82.9Confident39 Ų3951.8 Ų51.820%0.227%0.271CS..Hα-helixtrans-66.3-48.9176.5-61.6170000109.6L10 W258 F259 Y263 K264 V265L10-I261 HydrophobicContact CD1-CD1 4.14Å; L10-I261 HydrophobicContact CD1-CG1 3.82Å; W258-I261 HydrophobicContact CE3-CD1 4.16Å; W258-I261 HydrophobicContact CZ3-CD1 4.41Å; W258-I261 PolarHBondContact O-N 2.9Å; F259-I261 PolarHBondContact O-N 3.45Å; I261-Y263 VanDerWaalsContact C-N 3.34Å; I261-Y263 PolarHBondContact O-N 3.1Å; I261-K264 PolarHBondContact O-N 3.41Å; I261-V265 HydrophobicContact CG2-CG2 4.47Å; I261-V265 VanDerWaalsContact O-CG2 3.32Å; I261-V265 WeakPolarHBondContact O-CG2 3.04Å; I261-V265 PolarHBondContact O-N 2.99Å
262I89.6Confident84.1Confident96 Ų9649 Ų4949%0.49226%0.255SS..Hα-helixtrans-57.6-49.3177.8-65.4170.5000109.8W258 F259 K264 V265 S266W258-I262 PolarHBondContact O-N 2.88Å; F259-I262 CarbonylContact O-C 3.42Å; F259-I262 WeakPolarHBondContact O-CB 3.44Å; F259-I262 PolarHBondContact O-N 2.8Å; F259-I262 VanDerWaalsContact O-N 3.08Å; I262-K264 PolarHBondContact O-N 3.44Å; I262-V265 PolarHBondContact O-N 3.24Å; I262-S266 WeakPolarHBondContact O-CB 3.29Å; I262-S266 PolarHBondContact O-N 2.85Å; I262-S266 PolarHBondContact O-OG 3.27Å; I262-S266 VanDerWaalsContact O-OG 3.06Å
263Y88.9Confident85.4Confident6 Ų647.1 Ų47.12%0.02424%0.235CC..Hα-helixtrans-57.4-46.2179-177.9-88000112.7Y168 I170 I240 F244 F259 I261 S266 T267Y168-Y263 HydrophobicContact CE1-CE1 4.36Å; Y168-Y263 WeakPolarHBondContact CE1-OH 3.49Å; Y168-Y263 VanDerWaalsContact CZ-OH 3.26Å; Y168-Y263 PolarHBondContact OH-OH 3.18Å; I170-Y263 HydrophobicContact CD1-CD1 3.29Å; I170-Y263 HydrophobicContact CD1-CE1 3.24Å; I170-Y263 HydrophobicContact CD1-CG 4.02Å; I170-Y263 HydrophobicContact CG1-CD1 4.41Å; I170-Y263 HydrophobicContact CG1-CE1 4.04Å; I240-Y263 HydrophobicContact CD1-CD2 4.02Å; I240-Y263 HydrophobicContact CD1-CE2 3.75Å; F244-Y263 AromaticContact CD1-CE2 3.94Å; F244-Y263 HydrophobicContact CD1-CE2 3.94Å; F244-Y263 AromaticContact CE1-CE2 3.67Å; F244-Y263 HydrophobicContact CE1-CE2 3.67Å; F259-Y263 HydrophobicContact CE1-CD2 4.42Å; F259-Y263 AromaticContact CZ-CD2 3.93Å; F259-Y263 HydrophobicContact CZ-CD2 3.93Å; F259-Y263 HydrophobicContact CZ-CG 4.43Å; F259-Y263 WeakPolarHBondContact O-CB 3.47Å; F259-Y263 PolarHBondContact O-N 3.31Å; I261-Y263 VanDerWaalsContact C-N 3.34Å; I261-Y263 PolarHBondContact O-N 3.1Å; Y263-S266 PolarHBondContact O-N 3.46Å; Y263-T267 WeakPolarHBondContact O-CB 3.4Å; Y263-T267 PolarHBondContact O-N 2.94Å; Y263-T267 PolarHBondContact O-OG1 2.95Å
264K88.3Confident86.6Confident72 Ų7245.2 Ų45.231%0.31322%0.222SC..Hα-helixtrans-64.5-40.4177.5-76.3179.9175.3-176.40112.1E12 F20 L260 I261 I262 T267 A268E12-K264 VanDerWaalsContact CD-NZ 3.34Å; E12-K264 IonicContact OE1-NZ 3.39Å; E12-K264 PolarHBondContact OE1-NZ 3.32Å; F20-K264 HydrophobicContact CE1-CB 4.37Å; F20-K264 HydrophobicContact CE2-CB 4.34Å; F20-K264 HydrophobicContact CZ-CB 3.84Å; L260-K264 WeakPolarHBondContact O-CB 3.27Å; L260-K264 WeakPolarHBondContact O-CG 3.32Å; L260-K264 PolarHBondContact O-N 3.3Å; I261-K264 PolarHBondContact O-N 3.41Å; I262-K264 PolarHBondContact O-N 3.44Å; K264-T267 PolarHBondContact O-N 3.08Å; K264-A268 WeakPolarHBondContact O-CB 3.34Å; K264-A268 PolarHBondContact O-N 3.02Å
265V92.2Very high87.7Confident62 Ų6241.2 Ų41.238%0.37621%0.205SC..Hα-helixtrans-66-45.7175.6171.20000110.8F20 I261 I262 T267 A268 I269F20-V265 HydrophobicContact CZ-CG2 4.24Å; I261-V265 HydrophobicContact CG2-CG2 4.47Å; I261-V265 VanDerWaalsContact O-CG2 3.32Å; I261-V265 WeakPolarHBondContact O-CG2 3.04Å; I261-V265 PolarHBondContact O-N 2.99Å; I262-V265 PolarHBondContact O-N 3.24Å; V265-T267 VanDerWaalsContact C-N 3.32Å; V265-T267 PolarHBondContact O-N 2.8Å; V265-A268 WeakPolarHBondContact O-CB 3.09Å; V265-A268 PolarHBondContact O-N 3.45Å; V265-I269 HydrophobicContact CG1-CD1 3.8Å; V265-I269 HydrophobicContact CG1-CG1 4.4Å; V265-I269 VanDerWaalsContact O-CG1 3.29Å; V265-I269 WeakPolarHBondContact O-CG1 3.47Å; V265-I269 PolarHBondContact O-N 2.97Å
266S94.4Very high88.2Confident8 Ų839 Ų396%0.05619%0.19CC..Hα-helixtrans-62.1-39.1176.1-640000112.2P239 S243 I262 Y263 I269 S270P239-S266 WeakPolarHBondContact CB-OG 3.4Å; P239-S266 PolarHBondContact O-OG 3.44Å; S243-S266 PolarHBondContact OG-OG 3.21Å; I262-S266 WeakPolarHBondContact O-CB 3.29Å; I262-S266 PolarHBondContact O-N 2.85Å; I262-S266 PolarHBondContact O-OG 3.27Å; I262-S266 VanDerWaalsContact O-OG 3.06Å; Y263-S266 PolarHBondContact O-N 3.46Å; S266-I269 PolarHBondContact O-N 3.17Å; S266-S270 PolarHBondContact O-N 3.32Å
267T91.7Very high88.1Confident23 Ų2337.5 Ų37.514%0.14118%0.184CC..Hα-helixtrans-63.2-47.2173.5-55.40000110.4I240 Y263 K264 V265 I269 S270 T271I240-T267 WeakPolarHBondContact CD1-OG1 3.28Å; Y263-T267 WeakPolarHBondContact O-CB 3.4Å; Y263-T267 PolarHBondContact O-N 2.94Å; Y263-T267 PolarHBondContact O-OG1 2.95Å; K264-T267 PolarHBondContact O-N 3.08Å; V265-T267 VanDerWaalsContact C-N 3.32Å; V265-T267 PolarHBondContact O-N 2.8Å; T267-I269 PolarHBondContact O-N 2.85Å; T267-S270 PolarHBondContact O-N 2.03Å; T267-S270 VanDerWaalsContact O-N 3.13Å; T267-S270 PolarHBondContact O-OG 3.33Å; T267-T271 PolarHBondContact O-N 3.4Å
268A92.9Very high87.6Confident8 Ų835.8 Ų35.87%0.06618%0.179CC..Hα-helixtrans-58.9-45.3175.600000111.7F20 Y23 Y24 K264 V265 S270 T271F20-A268 HydrophobicContact CD1-CB 4.31Å; F20-A268 HydrophobicContact CE1-CB 3.95Å; Y23-A268 HydrophobicContact CD1-CB 4.04Å; Y23-A268 HydrophobicContact CE1-CB 3.6Å; Y23-A268 WeakPolarHBondContact CE1-O 3.49Å; Y23-A268 PolarHBondContact OH-O 3.43Å; Y24-A268 HydrophobicContact CE1-CB 4.49Å; K264-A268 WeakPolarHBondContact O-CB 3.34Å; K264-A268 PolarHBondContact O-N 3.02Å; V265-A268 WeakPolarHBondContact O-CB 3.09Å; V265-A268 PolarHBondContact O-N 3.45Å; A268-S270 VanDerWaalsContact C-N 3.27Å; A268-S270 PolarHBondContact O-N 3.38Å; A268-T271 PolarHBondContact O-N 3.44Å; A268-T271 PolarHBondContact O-OG1 3.18Å
269I94.6Very high87Confident49 Ų4931.5 Ų31.525%0.25117%0.169SC..Hα-helixtrans-59.5-38.9176.2-69.6166.6000111.1V235 P239 V265 S266 T267 T271 M272V235-I269 HydrophobicContact CG1-CG2 4.42Å; V235-I269 WeakPolarHBondContact O-CG2 3.43Å; P239-I269 HydrophobicContact CG-CG2 4.4Å; V265-I269 HydrophobicContact CG1-CD1 3.8Å; V265-I269 HydrophobicContact CG1-CG1 4.4Å; V265-I269 VanDerWaalsContact O-CG1 3.29Å; V265-I269 WeakPolarHBondContact O-CG1 3.47Å; V265-I269 PolarHBondContact O-N 2.97Å; S266-I269 PolarHBondContact O-N 3.17Å; T267-I269 PolarHBondContact O-N 2.85Å; I269-T271 VanDerWaalsContact C-N 3.29Å; I269-T271 PolarHBondContact O-N 3.49Å; I269-M272 WeakPolarHBondContact O-CB 3.16Å; I269-M272 WeakPolarHBondContact O-CG 3.47Å; I269-M272 PolarHBondContact O-N 3.2Å
270S93.8Very high86.3Confident16 Ų1631.2 Ų31.211%0.11217%0.168CC..Hα-helixtrans-62.1-33.317875.90000113.9C236 S266 T267 A268 M272 N273C236-S270 WeakPolarHBondContact O-CA 3.45Å; C236-S270 VanDerWaalsContact O-CB 3.28Å; C236-S270 WeakPolarHBondContact O-CB 3.03Å; C236-S270 PolarHBondContact O-N 2.84Å; S266-S270 PolarHBondContact O-N 3.32Å; T267-S270 PolarHBondContact O-N 2.03Å; T267-S270 VanDerWaalsContact O-N 3.13Å; T267-S270 PolarHBondContact O-OG 3.33Å; A268-S270 VanDerWaalsContact C-N 3.27Å; A268-S270 PolarHBondContact O-N 3.38Å; S270-M272 PolarHBondContact O-N 2.57Å; S270-M272 VanDerWaalsContact O-N 3.15Å; S270-N273 WeakPolarHBondContact O-CB 3.46Å; S270-N273 PolarHBondContact O-N 3.18Å; S270-N273 VanDerWaalsContact O-N 3.09Å
271T92.9Very high85.6Confident3 Ų331.1 Ų31.12%0.01817%0.168CC..THydrogen-bonded Turntrans-69.2-12.2176.772.70000113.3Y23 Y24 F66 T267 A268 I269 N273 C274Y23-T271 WeakPolarHBondContact CE1-OG1 3.31Å; Y23-T271 PolarHBondContact OH-OG1 3.47Å; Y24-T271 HydrophobicContact CD1-CG2 4.41Å; Y24-T271 HydrophobicContact CE1-CG2 3.74Å; F66-T271 HydrophobicContact CE1-CG2 3.8Å; F66-T271 HydrophobicContact CZ-CG2 3.62Å; T267-T271 PolarHBondContact O-N 3.4Å; A268-T271 PolarHBondContact O-N 3.44Å; A268-T271 PolarHBondContact O-OG1 3.18Å; I269-T271 VanDerWaalsContact C-N 3.29Å; I269-T271 PolarHBondContact O-N 3.49Å; T271-N273 PolarHBondContact O-N 3.04Å; T271-C274 PolarHBondContact O-N 3.32Å
272M91.4Very high84.5Confident85 Ų8531 Ų3142%0.41917%0.17SC..THydrogen-bonded Turntrans-65.7-18.9171.7-60.8-172.967.700112.4Y23 I269 S270 C274 L275 A276Y23-M272 WeakPolarHBondContact OH-CG 3.41Å; I269-M272 WeakPolarHBondContact O-CB 3.16Å; I269-M272 WeakPolarHBondContact O-CG 3.47Å; I269-M272 PolarHBondContact O-N 3.2Å; S270-M272 PolarHBondContact O-N 2.57Å; S270-M272 VanDerWaalsContact O-N 3.15Å; M272-C274 PolarHBondContact O-N 3.2Å; M272-L275 WeakPolarHBondContact O-CB 3.17Å; M272-L275 PolarHBondContact O-N 3.23Å; M272-A276 PolarHBondContact O-N 3.39Å
273N92.1Very high83.3Confident2 Ų229.2 Ų29.21%0.01116%0.159CC..Hα-helixtrans-52.8-42.4172.3175.172.9000111.3D63 S103 C232 C236 F237 S270 T271 L275 A276D63-N273 PolarHBondContact OD1-ND2 2.91Å; D63-N273 VanDerWaalsContact OD1-ND2 3.16Å; D63-N273 PolarHBondContact OD2-ND2 3.38Å; S103-N273 WeakPolarHBondContact CB-ND2 3.28Å; S103-N273 PolarHBondContact OG-ND2 2.86Å; C232-N273 PolarHBondContact SG-OD1 2.56Å; C236-N273 HydrophobicContact CB-CB 4.3Å; F237-N273 HydrophobicContact CE2-CB 3.95Å; F237-N273 WeakPolarHBondContact CE2-OD1 3.3Å; F237-N273 HydrophobicContact CZ-CB 3.68Å; F237-N273 VanDerWaalsContact CZ-OD1 3.31Å; F237-N273 WeakPolarHBondContact CZ-OD1 3.24Å; S270-N273 WeakPolarHBondContact O-CB 3.46Å; S270-N273 PolarHBondContact O-N 3.18Å; S270-N273 VanDerWaalsContact O-N 3.09Å; T271-N273 PolarHBondContact O-N 3.04Å; N273-L275 PolarHBondContact O-N 2.81Å; N273-A276 VanDerWaalsContact O-CB 3.31Å; N273-A276 WeakPolarHBondContact O-CB 3.32Å; N273-A276 PolarHBondContact O-N 3.32Å
274C91.6Very high82Confident1 Ų130 Ų301%0.00716%0.163CC..Hα-helixtrans-64.6-12.6-178.9-53.10000113.7N35 D63 F66 T271 M272N35-C274 PolarHBondContact ND2-O 3.19Å; D63-C274 HydrophobicContact CB-CB 4.08Å; D63-C274 PolarHBondContact OD1-SG 3.45Å; D63-C274 VanDerWaalsContact OD1-SG 3.36Å; D63-C274 WeakPolarHBondContact OD2-CA 3.36Å; F66-C274 VanDerWaalsContact CD1-SG 3.54Å; T271-C274 PolarHBondContact O-N 3.32Å; M272-C274 PolarHBondContact O-N 3.2Å
275L89.4Confident80.4Confident45 Ų4527.3 Ų27.324%0.23615%0.153CC..Hα-helixtrans-95.4-13.1174.9-57.2174.6000112.6V27 I30 S31 M272 N273V27-L275 HydrophobicContact CG2-CD1 4.39Å; I30-L275 HydrophobicContact CB-CD2 3.71Å; I30-L275 HydrophobicContact CG2-CD2 3.55Å; S31-L275 WeakPolarHBondContact OG-CD2 3.28Å; M272-L275 WeakPolarHBondContact O-CB 3.17Å; M272-L275 PolarHBondContact O-N 3.23Å; N273-L275 PolarHBondContact O-N 2.81Å
276A80.8Confident78.6Confident12 Ų1230.5 Ų30.510%0.09916%0.158CC..Hα-helixtrans-81.2-25.6-174.400000112.8M272 N273 L279 L280M272-A276 PolarHBondContact O-N 3.39Å; N273-A276 VanDerWaalsContact O-CB 3.31Å; N273-A276 WeakPolarHBondContact O-CB 3.32Å; N273-A276 PolarHBondContact O-N 3.32Å; A276-L279 WeakPolarHBondContact O-CA 3.42Å; A276-L279 VanDerWaalsContact O-CB 3.26Å; A276-L279 WeakPolarHBondContact O-CB 2.95Å; A276-L279 PolarHBondContact O-N 3.19Å; A276-L280 PolarHBondContact O-N 3.47Å
277D75.4Confident76.5Confident0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-51.5-52.9-178-92.124.5000114.7N35 L59 A60 L279 L280 Y281N35-D277 WeakPolarHBondContact OD1-CB 3.39Å; N35-D277 PolarHBondContact OD1-OD2 3.15Å; L59-D277 WeakPolarHBondContact CD2-OD1 3.31Å; L59-D277 VanDerWaalsContact CG-OD1 3.25Å; L59-D277 WeakPolarHBondContact CG-OD1 3.32Å; L59-D277 WeakPolarHBondContact CG-OD2 3.45Å; A60-D277 WeakPolarHBondContact CA-OD2 3.46Å; A60-D277 PolarHBondContact N-OD2 3.16Å; D277-L279 PolarHBondContact O-N 3.4Å; D277-L280 WeakPolarHBondContact O-CA 3.34Å; D277-L280 VanDerWaalsContact O-CB 3.31Å; D277-L280 WeakPolarHBondContact O-CB 3.33Å; D277-L280 PolarHBondContact O-N 3.43Å; D277-Y281 VanDerWaalsContact O-CD2 3.25Å; D277-Y281 WeakPolarHBondContact O-CD2 3.45Å; D277-Y281 PolarHBondContact O-N 3.2Å
278P66.8Low74.6Confident33 Ų3332.1 Ų32.121%0.21417%0.168CC..Hα-helixtrans-58.5-33.1176.5-20.830.3000113.4A34 Y281 C282A34-P278 HydrophobicContact CB-CB 4.42Å; A34-P278 HydrophobicContact CB-CG 3.34Å; P278-Y281 PolarHBondContact O-N 3.43Å; P278-C282 PolarHBondContact O-N 3.21Å; P278-C282 PolarHBondContact O-SG 2.61Å; P278-C282 VanDerWaalsContact O-SG 3.36Å
279L66.9Low72.8Confident90 Ų9035.4 Ų35.447%0.47118%0.182SC..Hα-helixtrans-66.4-43.8175.1-59.4174000109.9A276 D277 Y281 C282 F283A276-L279 WeakPolarHBondContact O-CA 3.42Å; A276-L279 VanDerWaalsContact O-CB 3.26Å; A276-L279 WeakPolarHBondContact O-CB 2.95Å; A276-L279 PolarHBondContact O-N 3.19Å; D277-L279 PolarHBondContact O-N 3.4Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 2.98Å; L279-C282 WeakPolarHBondContact O-CB 3.32Å; L279-C282 PolarHBondContact O-N 3.12Å; L279-F283 HydrophobicContact CB-CD2 4.42Å; L279-F283 HydrophobicContact CB-CE2 4.17Å; L279-F283 WeakPolarHBondContact O-CD2 3.32Å; L279-F283 WeakPolarHBondContact O-CG 3.45Å; L279-F283 PolarHBondContact O-N 2.96Å
280L70.7Confident71Confident1 Ų139.8 Ų39.81%0.00520%0.199CC..Hα-helixtrans-55.8-45.9173.9-59.8173.4000110.7L59 L107 L225 V228 V229 A276 D277 F283 I284L59-L280 HydrophobicContact CD2-CD1 3.86Å; L107-L280 HydrophobicContact CD2-CD1 3.66Å; L225-L280 HydrophobicContact CD1-CB 4.28Å; L225-L280 HydrophobicContact CD1-CD2 3.63Å; V228-L280 HydrophobicContact CG1-CD2 3.89Å; V229-L280 HydrophobicContact CG2-CD2 3.65Å; A276-L280 PolarHBondContact O-N 3.47Å; D277-L280 WeakPolarHBondContact O-CA 3.34Å; D277-L280 VanDerWaalsContact O-CB 3.31Å; D277-L280 WeakPolarHBondContact O-CB 3.33Å; D277-L280 PolarHBondContact O-N 3.43Å; L280-F283 CarbonylContact O-C 3.4Å; L280-F283 PolarHBondContact O-N 2.86Å; L280-I284 HydrophobicContact CB-CD1 4.08Å; L280-I284 VanDerWaalsContact O-CB 3.22Å; L280-I284 WeakPolarHBondContact O-CB 3.46Å; L280-I284 VanDerWaalsContact O-CD1 3.28Å; L280-I284 WeakPolarHBondContact O-CD1 3.31Å; L280-I284 WeakPolarHBondContact O-CG1 3.49Å; L280-I284 PolarHBondContact O-N 3.34Å
281Y67.9Low69.3Low3 Ų341.4 Ų41.41%0.01220%0.204CC..Hα-helixtrans-63.5-42.9176.8-79.3-87.6000113.8S38 V41 S42 L56 D277 P278 L279 F283 I284 T285S38-Y281 PolarHBondContact O-OH 3.39Å; S38-Y281 WeakPolarHBondContact OG-CD2 3.38Å; S38-Y281 WeakPolarHBondContact OG-CE2 3.41Å; V41-Y281 HydrophobicContact CB-CD1 4.32Å; V41-Y281 HydrophobicContact CB-CE1 4.16Å; V41-Y281 HydrophobicContact CG1-CD1 3.78Å; V41-Y281 HydrophobicContact CG1-CE1 3.88Å; S42-Y281 WeakPolarHBondContact CB-OH 3.16Å; S42-Y281 PolarHBondContact OG-OH 3.29Å; L56-Y281 HydrophobicContact CB-CE1 4.03Å; L56-Y281 HydrophobicContact CB-CE2 3.96Å; L56-Y281 VanDerWaalsContact CB-CZ 3.42Å; L56-Y281 WeakPolarHBondContact CB-OH 3.03Å; L56-Y281 HydrophobicContact CD1-CD1 4.07Å; L56-Y281 HydrophobicContact CD1-CE1 3.62Å; L56-Y281 HydrophobicContact CD1-CE2 4.4Å; L56-Y281 HydrophobicContact CD2-CE2 4.2Å; L56-Y281 HydrophobicContact CG-CE1 4.38Å; L56-Y281 HydrophobicContact CG-CE2 4.44Å; L56-Y281 PolarHBondContact O-OH 3.38Å; L56-Y281 VanDerWaalsContact O-OH 3.1Å; D277-Y281 VanDerWaalsContact O-CD2 3.25Å; D277-Y281 WeakPolarHBondContact O-CD2 3.45Å; D277-Y281 PolarHBondContact O-N 3.2Å; P278-Y281 PolarHBondContact O-N 3.43Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 2.98Å; Y281-F283 PolarHBondContact O-N 2.88Å; Y281-I284 PolarHBondContact O-N 2.92Å; Y281-T285 PolarHBondContact O-N 3.28Å
282C62.9Low67.6Low36 Ų3643 Ų4324%0.24321%0.214CC..Hα-helixtrans-57.5-37.4174.6-76.80000111.5R221 P278 L279 Q289R221-C282 PolarHBondContact NH2-O 3.01Å; P278-C282 PolarHBondContact O-N 3.21Å; P278-C282 PolarHBondContact O-SG 2.61Å; P278-C282 VanDerWaalsContact O-SG 3.36Å; L279-C282 WeakPolarHBondContact O-CB 3.32Å; L279-C282 PolarHBondContact O-N 3.12Å; C282-Q289 WeakPolarHBondContact O-CG 3.31Å; C282-Q289 PolarHBondContact O-NE2 3.01Å
283F63.3Low66.1Low59 Ų5943.3 Ų43.326%0.25921%0.214SC..Hα-helixtrans-87.3-6.7176.6-59.9-56.1000114R221 K224 L225 V228 L279 L280 Y281R221-F283 WeakPolarHBondContact CD-O 3.37Å; R221-F283 WeakPolarHBondContact CG-O 3.48Å; R221-F283 PolarHBondContact NE-O 3.46Å; K224-F283 HydrophobicContact CB-CD1 4.42Å; K224-F283 HydrophobicContact CD-CE1 4.46Å; L225-F283 HydrophobicContact CB-CB 4.14Å; L225-F283 HydrophobicContact CD1-CB 4.34Å; V228-F283 HydrophobicContact CG2-CD2 4.15Å; V228-F283 HydrophobicContact CG2-CE2 4.05Å; L279-F283 HydrophobicContact CB-CD2 4.42Å; L279-F283 HydrophobicContact CB-CE2 4.17Å; L279-F283 WeakPolarHBondContact O-CD2 3.32Å; L279-F283 WeakPolarHBondContact O-CG 3.45Å; L279-F283 PolarHBondContact O-N 2.96Å; L280-F283 CarbonylContact O-C 3.4Å; L280-F283 PolarHBondContact O-N 2.86Å; Y281-F283 PolarHBondContact O-N 2.88Å
284I61.9Low64.6Low21 Ų2149.2 Ų49.211%0.10824%0.242CC..Hα-helixtrans-98.2-47.4-177.3-78.3164.6000114.5L52 L56 R221 L225 L280 Y281L52-I284 HydrophobicContact CD2-CB 4.42Å; L52-I284 HydrophobicContact CD2-CD1 4.24Å; L52-I284 HydrophobicContact CD2-CG1 4.23Å; L52-I284 HydrophobicContact CD2-CG2 3.32Å; L52-I284 HydrophobicContact CG-CG2 4.32Å; L56-I284 HydrophobicContact CD1-CD1 3.8Å; L56-I284 HydrophobicContact CD1-CG2 4.24Å; L56-I284 HydrophobicContact CD2-CD1 3.61Å; L56-I284 HydrophobicContact CG-CD1 4.24Å; R221-I284 VanDerWaalsContact CZ-O 3.3Å; R221-I284 VanDerWaalsContact NE-C 3.28Å; R221-I284 PolarHBondContact NE-O 3.36Å; R221-I284 VanDerWaalsContact NE-O 3.09Å; L225-I284 HydrophobicContact CD1-CD1 3.79Å; L225-I284 HydrophobicContact CD1-CG1 3.6Å; L225-I284 HydrophobicContact CD2-CD1 4.04Å; L225-I284 HydrophobicContact CD2-CG1 3.34Å; L225-I284 HydrophobicContact CG-CG1 4.06Å; L280-I284 HydrophobicContact CB-CD1 4.08Å; L280-I284 VanDerWaalsContact O-CB 3.22Å; L280-I284 WeakPolarHBondContact O-CB 3.46Å; L280-I284 VanDerWaalsContact O-CD1 3.28Å; L280-I284 WeakPolarHBondContact O-CD1 3.31Å; L280-I284 WeakPolarHBondContact O-CG1 3.49Å; L280-I284 PolarHBondContact O-N 3.34Å; Y281-I284 PolarHBondContact O-N 2.92Å
285T55.1Low63.2Low17 Ų1751.9 Ų51.910%0.10426%0.258CS..  trans-126.5138-179.656.10000116.1H45 R221 Y281 T287 G288 Q289H45-T285 WeakPolarHBondContact CE1-CG2 3.39Å; H45-T285 WeakPolarHBondContact NE2-CG2 3.45Å; H45-T285 PolarHBondContact NE2-OG1 3.06Å; R221-T285 VanDerWaalsContact CZ-CA 3.49Å; R221-T285 VanDerWaalsContact CZ-N 3.34Å; R221-T285 PolarHBondContact NH2-O 2.92Å; Y281-T285 PolarHBondContact O-N 3.28Å; T285-T287 PolarHBondContact O-N 3.47Å; T285-G288 PolarHBondContact O-N 3.45Å; T285-G288 VanDerWaalsContact O-N 3.09Å; T285-G288 WeakPolarHBondContact OG1-CA 3.08Å; T285-G288 PolarHBondContact OG1-N 2.77Å; T285-Q289 PolarHBondContact O-N 3.44Å
286R54.8Low61.9Low128 Ų12854.3 Ų54.348%0.48327%0.271SS..Hα-helixtrans-61.7-31.2172.3-83.3-173.9175157-4.2109.1E217 K290E217-R286 IonicContact OE2-CZ 3.68Å; E217-R286 IonicContact OE2-NE 3.98Å; E217-R286 IonicContact OE2-NH2 2.66Å; E217-R286 PolarHBondContact OE2-NH2 3.4Å; R286-K290 WeakPolarHBondContact O-CG 3.46Å; R286-K290 PolarHBondContact O-N 3.02Å
287T49.6Very low61Low64 Ų6461.4 Ų61.439%0.39330%0.295SS..Hα-helixtrans-65.6-38.4172.7-40.20000112.5T285 K290 K291T285-T287 PolarHBondContact O-N 3.47Å; T287-K290 PolarHBondContact O-N 2.91Å; T287-K291 WeakPolarHBondContact O-CB 3.01Å; T287-K291 WeakPolarHBondContact O-CG 3.12Å; T287-K291 PolarHBondContact O-N 3.48Å
288G51.3Low60.5Low2 Ų267.7 Ų67.72%0.02132%0.323CS..Hα-helixtrans-62.8-48.4173.900000111.8T285 K290 K291 V292T285-G288 PolarHBondContact O-N 3.45Å; T285-G288 VanDerWaalsContact O-N 3.09Å; T285-G288 WeakPolarHBondContact OG1-CA 3.08Å; T285-G288 PolarHBondContact OG1-N 2.77Å; G288-K290 PolarHBondContact O-N 2.97Å; G288-K291 PolarHBondContact O-N 3.47Å; G288-V292 WeakPolarHBondContact O-CB 3.48Å; G288-V292 VanDerWaalsContact O-CG2 3.31Å; G288-V292 WeakPolarHBondContact O-CG2 3.05Å; G288-V292 PolarHBondContact O-N 3.49Å
289Q55.8Low60.2Low77 Ų7772.2 Ų72.236%0.3634%0.339SS..Hα-helixtrans-57.9-45173.9-67.5177-14.400112.2C282 T285 K291 V292 Q293C282-Q289 WeakPolarHBondContact O-CG 3.31Å; C282-Q289 PolarHBondContact O-NE2 3.01Å; T285-Q289 PolarHBondContact O-N 3.44Å; Q289-K291 PolarHBondContact O-N 2.99Å; Q289-V292 PolarHBondContact O-N 2.9Å; Q289-Q293 VanDerWaalsContact O-CB 3.24Å; Q289-Q293 WeakPolarHBondContact O-CB 3.24Å; Q289-Q293 WeakPolarHBondContact O-CG 3.37Å; Q289-Q293 PolarHBondContact O-N 3.34Å
290K57.2Low59.8Low141 Ų14172.4 Ų72.461%0.61334%0.34SS*.Hα-helixtrans-62.8-40.3176.9-74.6-178.2179.3-1750112.5R286 T287 G288 Q294R286-K290 WeakPolarHBondContact O-CG 3.46Å; R286-K290 PolarHBondContact O-N 3.02Å; T287-K290 PolarHBondContact O-N 2.91Å; G288-K290 PolarHBondContact O-N 2.97Å; K290-Q294 WeakPolarHBondContact O-CB 3.35Å; K290-Q294 VanDerWaalsContact O-CG 3.24Å; K290-Q294 WeakPolarHBondContact O-CG 3.24Å; K290-Q294 PolarHBondContact O-N 2.95Å
291K56.7Low59.2Low50 Ų5082 Ų8222%0.21738%0.376CS..Hα-helixtrans-71-43.2177.6-74.9-175.2177.5-174.20112.3F37 T287 G288 Q289 Q293 Q294 V295F37-K291 HydrophobicContact CZ-CB 4.47Å; T287-K291 WeakPolarHBondContact O-CB 3.01Å; T287-K291 WeakPolarHBondContact O-CG 3.12Å; T287-K291 PolarHBondContact O-N 3.48Å; G288-K291 PolarHBondContact O-N 3.47Å; Q289-K291 PolarHBondContact O-N 2.99Å; K291-Q293 VanDerWaalsContact C-N 3.33Å; K291-Q293 PolarHBondContact O-N 2.91Å; K291-Q294 PolarHBondContact O-N 2.87Å; K291-V295 WeakPolarHBondContact O-CB 3.42Å; K291-V295 VanDerWaalsContact O-CG2 3.3Å; K291-V295 WeakPolarHBondContact O-CG2 3.35Å; K291-V295 PolarHBondContact O-N 2.92Å
292V58.6Low58.5Low36 Ų3688 Ų8822%0.21840%0.402CS..Hα-helixtrans-59.6-45.4172.9169.30000110.1F37 G288 Q289 Q294 V295 L296F37-V292 HydrophobicContact CD1-CG2 4.47Å; F37-V292 HydrophobicContact CE1-CG2 3.38Å; F37-V292 HydrophobicContact CZ-CG2 3.6Å; G288-V292 WeakPolarHBondContact O-CB 3.48Å; G288-V292 VanDerWaalsContact O-CG2 3.31Å; G288-V292 WeakPolarHBondContact O-CG2 3.05Å; G288-V292 PolarHBondContact O-N 3.49Å; Q289-V292 PolarHBondContact O-N 2.9Å; V292-Q294 PolarHBondContact O-N 2.81Å; V292-V295 PolarHBondContact O-N 3.31Å; V292-L296 HydrophobicContact CG1-CD1 3.6Å; V292-L296 VanDerWaalsContact O-CB 3.3Å; V292-L296 WeakPolarHBondContact O-CB 3.44Å; V292-L296 WeakPolarHBondContact O-CG 3.44Å; V292-L296 PolarHBondContact O-N 3.14Å
293Q59.5Low57.7Low92 Ų9291.8 Ų91.843%0.4342%0.415SS..Hα-helixtrans-63.6-38.5174.4-75.9179.13.500112.9Q289 K291 R297Q289-Q293 VanDerWaalsContact O-CB 3.24Å; Q289-Q293 WeakPolarHBondContact O-CB 3.24Å; Q289-Q293 WeakPolarHBondContact O-CG 3.37Å; Q289-Q293 PolarHBondContact O-N 3.34Å; K291-Q293 VanDerWaalsContact C-N 3.33Å; K291-Q293 PolarHBondContact O-N 2.91Å; Q293-R297 VanDerWaalsContact O-CB 3.24Å; Q293-R297 WeakPolarHBondContact O-CB 3.29Å; Q293-R297 WeakPolarHBondContact O-CG 3.33Å; Q293-R297 PolarHBondContact O-N 3.49Å
294Q61Low57Low126 Ų12697.3 Ų97.359%0.58944%0.439SS*.Hα-helixtrans-65.5-41.7175.8-81.6173.3-17.500111.7K290 K291 V292 R297 F298K290-Q294 WeakPolarHBondContact O-CB 3.35Å; K290-Q294 VanDerWaalsContact O-CG 3.24Å; K290-Q294 WeakPolarHBondContact O-CG 3.24Å; K290-Q294 PolarHBondContact O-N 2.95Å; K291-Q294 PolarHBondContact O-N 2.87Å; V292-Q294 PolarHBondContact O-N 2.81Å; Q294-R297 PolarHBondContact O-N 2.78Å; Q294-F298 WeakPolarHBondContact O-CB 3.46Å; Q294-F298 PolarHBondContact O-N 3.42Å
295V62Low56.3Low57 Ų57107.2 Ų107.235%0.34548%0.475SS..Hα-helixtrans-69.1-46.1177.6171.60000111F37 K291 V292 R297 F298 F299F37-V295 HydrophobicContact CE2-CG2 4.18Å; K291-V295 WeakPolarHBondContact O-CB 3.42Å; K291-V295 VanDerWaalsContact O-CG2 3.3Å; K291-V295 WeakPolarHBondContact O-CG2 3.35Å; K291-V295 PolarHBondContact O-N 2.92Å; V292-V295 PolarHBondContact O-N 3.31Å; V295-R297 VanDerWaalsContact C-N 3.34Å; V295-R297 PolarHBondContact O-N 3.23Å; V295-F298 WeakPolarHBondContact O-CB 3.34Å; V295-F298 PolarHBondContact O-N 3.48Å; V295-F298 VanDerWaalsContact O-N 3.1Å; V295-F299 HydrophobicContact CG1-CD2 3.54Å; V295-F299 HydrophobicContact CG1-CE2 3.3Å; V295-F299 WeakPolarHBondContact O-CD2 3.45Å; V295-F299 PolarHBondContact O-N 3.04Å
296L61.6Low55.9Low95 Ų95112 Ų11250%0.49750%0.503SS..Hα-helixtrans-56.9-46.3171.6-85.2156.4000111.2V292 F298 F299 L300V292-L296 HydrophobicContact CG1-CD1 3.6Å; V292-L296 VanDerWaalsContact O-CB 3.3Å; V292-L296 WeakPolarHBondContact O-CB 3.44Å; V292-L296 WeakPolarHBondContact O-CG 3.44Å; V292-L296 PolarHBondContact O-N 3.14Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 2.82Å; L296-F299 PolarHBondContact O-N 3.09Å; L296-L300 VanDerWaalsContact O-CB 3.28Å; L296-L300 WeakPolarHBondContact O-CB 3.49Å; L296-L300 WeakPolarHBondContact O-CG 3.22Å; L296-L300 PolarHBondContact O-N 2.95Å
297R61.7Low55.5Low161 Ų161111.9 Ų111.961%0.60851%0.509SS*.Hα-helixtrans-61-39.7174.8-76.7179.8-139.5-1694.5111.7Q293 Q294 V295 R301Q293-R297 VanDerWaalsContact O-CB 3.24Å; Q293-R297 WeakPolarHBondContact O-CB 3.29Å; Q293-R297 WeakPolarHBondContact O-CG 3.33Å; Q293-R297 PolarHBondContact O-N 3.49Å; Q294-R297 PolarHBondContact O-N 2.78Å; V295-R297 VanDerWaalsContact C-N 3.34Å; V295-R297 PolarHBondContact O-N 3.23Å; R297-R301 WeakPolarHBondContact O-CB 3.3Å; R297-R301 PolarHBondContact O-N 3Å
298F66.3Low55.7Low133 Ų133111.7 Ų111.758%0.58352%0.52SS*.Hα-helixtrans-64.2-45.5176.7-179-96.7000111.7Q294 V295 L296 R301 K302Q294-F298 WeakPolarHBondContact O-CB 3.46Å; Q294-F298 PolarHBondContact O-N 3.42Å; V295-F298 WeakPolarHBondContact O-CB 3.34Å; V295-F298 PolarHBondContact O-N 3.48Å; V295-F298 VanDerWaalsContact O-N 3.1Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 2.82Å; F298-R301 PolarHBondContact O-N 3.03Å; F298-K302 WeakPolarHBondContact O-CB 3.45Å; F298-K302 PolarHBondContact O-N 3.39Å
299F59.6Low55.2Low128 Ų128119.2 Ų119.256%0.56156%0.558SS**Hα-helixtrans-67.1-41.5176.3-75.6-64.4000112.8V295 L296 R301 K302 K303V295-F299 HydrophobicContact CG1-CD2 3.54Å; V295-F299 HydrophobicContact CG1-CE2 3.3Å; V295-F299 WeakPolarHBondContact O-CD2 3.45Å; V295-F299 PolarHBondContact O-N 3.04Å; L296-F299 PolarHBondContact O-N 3.09Å; F299-R301 VanDerWaalsContact C-N 3.33Å; F299-R301 PolarHBondContact O-N 3.42Å; F299-K302 PolarHBondContact O-N 2.94Å; F299-K303 WeakPolarHBondContact O-CB 3.41Å; F299-K303 PolarHBondContact O-N 3.18Å
300L58.5Low54.1Low93 Ų93122.8 Ų122.849%0.48758%0.579SS.*Hα-helixtrans-64.6-36.8174.4-71.1169.4000111.9L296 K303 K304L296-L300 VanDerWaalsContact O-CB 3.28Å; L296-L300 WeakPolarHBondContact O-CB 3.49Å; L296-L300 WeakPolarHBondContact O-CG 3.22Å; L296-L300 PolarHBondContact O-N 2.95Å; L300-K303 PolarHBondContact O-N 3.48Å; L300-K304 WeakPolarHBondContact O-CB 3.49Å; L300-K304 PolarHBondContact O-N 3.36Å
301R58.5Low53.6Low203 Ų203121.6 Ų121.677%0.76659%0.587SS**Hα-helixtrans-72.8-31.8176.3-160.9174-172.3174.31.7111.8R297 F298 F299 R305R297-R301 WeakPolarHBondContact O-CB 3.3Å; R297-R301 PolarHBondContact O-N 3Å; F298-R301 PolarHBondContact O-N 3.03Å; F299-R301 VanDerWaalsContact C-N 3.33Å; F299-R301 PolarHBondContact O-N 3.42Å; R301-R305 WeakPolarHBondContact O-CB 3.31Å; R301-R305 PolarHBondContact O-N 2.95Å
302K51.6Low52.6Low128 Ų128126.6 Ų126.656%0.55762%0.616SS**Hα-helixtrans-70.4-43.6171.3-162177.3-179.6-177.10110.9F298 F299 R305 T306F298-K302 WeakPolarHBondContact O-CB 3.45Å; F298-K302 PolarHBondContact O-N 3.39Å; F299-K302 PolarHBondContact O-N 2.94Å; K302-R305 WeakPolarHBondContact O-CA 3.01Å; K302-R305 WeakPolarHBondContact O-CB 3.43Å; K302-R305 PolarHBondContact O-N 3.18Å; K302-T306 PolarHBondContact O-N 3.29Å; K302-T306 PolarHBondContact O-OG1 3.49Å
303K46.9Very low51.6Low117 Ų117131.5 Ų131.551%0.50965%0.646SS.*Hα-helixtrans-59.2-47.1173.3-172.5174.3178.8179.10112F299 L300 R305 T306 E307F299-K303 WeakPolarHBondContact O-CB 3.41Å; F299-K303 PolarHBondContact O-N 3.18Å; L300-K303 PolarHBondContact O-N 3.48Å; K303-R305 PolarHBondContact O-N 2.99Å; K303-T306 PolarHBondContact O-N 3.21Å; K303-T306 VanDerWaalsContact O-N 3.09Å; K303-E307 WeakPolarHBondContact CE-OE1 3.44Å; K303-E307 WeakPolarHBondContact CE-OE2 3.4Å; K303-E307 IonicContact NZ-OE1 3.92Å; K303-E307 PolarHBondContact O-N 3.09Å
304K49Very low50.6Low175 Ų175135 Ų13576%0.76167%0.666SS**Hα-helixtrans-59.2-24.9172-89-171.5172.4-1730114.4L300L300-K304 WeakPolarHBondContact O-CB 3.49Å; L300-K304 PolarHBondContact O-N 3.36Å
305R46.8Very low49.5Very low229 Ų229136.4 Ų136.486%0.86468%0.678SS**Hα-helixtrans-87.7-21.4178.3-159.8175.5-173179.71.8112.4R301 K302 K303R301-R305 WeakPolarHBondContact O-CB 3.31Å; R301-R305 PolarHBondContact O-N 2.95Å; K302-R305 WeakPolarHBondContact O-CA 3.01Å; K302-R305 WeakPolarHBondContact O-CB 3.43Å; K302-R305 PolarHBondContact O-N 3.18Å; K303-R305 PolarHBondContact O-N 2.99Å
306T47.6Very low48.3Very low116 Ų116140.5 Ų140.571%0.71270%0.698SS**Hα-helixtrans-90.1-28.7175.8-45.80000111.9K302 K303 G308K302-T306 PolarHBondContact O-N 3.29Å; K302-T306 PolarHBondContact O-OG1 3.49Å; K303-T306 PolarHBondContact O-N 3.21Å; K303-T306 VanDerWaalsContact O-N 3.09Å; T306-G308 PolarHBondContact O-N 2.95Å
307E44.8Very low47.4Very low127 Ų127143 Ų14359%0.59371%0.711SS**  trans-98.649.9175.4-67.117317500111.8K303 I309K303-E307 WeakPolarHBondContact CE-OE1 3.44Å; K303-E307 WeakPolarHBondContact CE-OE2 3.4Å; K303-E307 IonicContact NZ-OE1 3.92Å; K303-E307 PolarHBondContact O-N 3.09Å; E307-I309 PolarHBondContact O-N 3.26Å
308G53.8Low46.2Very low60 Ų60140.8 Ų140.862%0.61972%0.715SS**  trans-68.496.1166.500000109.6T306T306-G308 PolarHBondContact O-N 2.95Å
309I40.9Very low44.9Very low160 Ų160141.5 Ų141.582%0.82172%0.723SS**SBendtrans-179.3129.8143.8-86.7147.5000109.9E307E307-I309 PolarHBondContact O-N 3.26Å
310N33.5Very low43.6Very low152 Ų152141.6 Ų141.681%0.81373%0.73SS**  trans63.194.3173.1-818.2000120.6
311C46.2Very low42.6Very low115 Ų115141.3 Ų141.378%0.77773%0.732SS**  trans-48.4140.9138.1-84.40000110.5
312D36.9Very low41.3Very low156 Ų156139.4 Ų139.483%0.83473%0.733SS**SBendtrans130.75.8154.7-62.5-16.7000117.1
313V37.6Very low40.3Very low138 Ų138137.7 Ų137.784%0.83674%0.737SS**SBendtrans-127.7-12.6169.4-171.40000115N315V313-N315 VanDerWaalsContact C-N 3.29Å; V313-N315 PolarHBondContact O-N 3.09Å; V313-N315 VanDerWaalsContact O-N 3.11Å
314L36.8Very low39.8Very low165 Ų165136.1 Ų136.186%0.86474%0.737SS**THydrogen-bonded Turntrans-91.545.9-177.5-15080.9000113.7
315N37.9Very low39Very low156 Ų156136.8 Ų136.883%0.83474%0.736SS**THydrogen-bonded Turntrans-108.47.9172-112.22.8000113.9V313V313-N315 VanDerWaalsContact C-N 3.29Å; V313-N315 PolarHBondContact O-N 3.09Å; V313-N315 VanDerWaalsContact O-N 3.11Å
316L37Very low38.6Very low144 Ų144132.1 Ų132.175%0.75473%0.727SS**SBendtrans-142.9126.5170.7-83.7102.6000110
317L42.5Very low37.9Very low147 Ų147132.5 Ų132.577%0.7772%0.724SS**SBendtrans81.891.5171.3-51.8149.5000113.6
318T38.1Very low37.4Very low115 Ų115135.1 Ų135.171%0.70675%0.749SS**SBend175.879.873.924.30000110
319I39Very low36.6Very low147 Ų147138.9 Ų138.975%0.75476%0.756SS**SBendtrans-128.2-11.9163.1-67.5-175.4000112.5
320D32.6Very low36.3Very low131 Ų131137.7 Ų137.770%0.70175%0.752SS**SBendtrans-88.4-5.1176.7-85.9-31.4000115.6T324D320-T324 WeakPolarHBondContact O-CB 3.33Å; D320-T324 PolarHBondContact O-OG1 3.11Å
321V37.3Very low36.5Very low86 Ų86136.9 Ų136.952%0.52175%0.749SS.*Hα-helixtrans-89.1-28.1-174.8-178.20000113.1Y325V321-Y325 HydrophobicContact CG1-CD2 3.96Å; V321-Y325 HydrophobicContact CG1-CE2 3.9Å; V321-Y325 VanDerWaalsContact O-CD2 3.31Å; V321-Y325 WeakPolarHBondContact O-CD2 3.34Å
322M30.7Very low35.9Very low163 Ų163138.2 Ų138.280%0.80375%0.748SS**Hα-helixtrans-87.4-17.6-179-116.1-163.586.200115
323C31.1Very low35.9Very low93 Ų93137.1 Ų137.163%0.62874%0.742SS**Hα-helixtrans-94.4-26.4176.2-90.60000113.5
324T35.3Very low35.7Very low84 Ų84137.1 Ų137.152%0.51574%0.736SS.*Hα-helixtrans-83.1-30.3-174.9-46.10000112.7D320 L326 L327D320-T324 WeakPolarHBondContact O-CB 3.33Å; D320-T324 PolarHBondContact O-OG1 3.11Å; T324-L326 VanDerWaalsContact C-N 3.28Å; T324-L326 PolarHBondContact O-N 3.49Å; T324-L327 PolarHBondContact O-N 2.97Å
325Y33.5Very low35.7Very low189 Ų189135.1 Ų135.174%0.74173%0.727SS**THydrogen-bonded Turntrans-79.4-0.4179-79.2-86.3000115.2V321V321-Y325 HydrophobicContact CG1-CD2 3.96Å; V321-Y325 HydrophobicContact CG1-CE2 3.9Å; V321-Y325 VanDerWaalsContact O-CD2 3.31Å; V321-Y325 WeakPolarHBondContact O-CD2 3.34Å
326L36.5Very low35.5Very low130 Ų130133.5 Ų133.568%0.68172%0.718SS**THydrogen-bonded Turntrans-11710.2176.1-88.7155.8000113T324T324-L326 VanDerWaalsContact C-N 3.28Å; T324-L326 PolarHBondContact O-N 3.49Å
327L34.7Very low35.4Very low124 Ų124132.6 Ų132.665%0.64972%0.715SS**  trans-131.119.3-179.2-91.1163.1000114.3T324T324-L327 PolarHBondContact O-N 2.97Å
328T33.2Very low34.7Very low182 Ų182131.3 Ų131.3100%1.11771%0.71SS**  trans-111.40147.745.60000107.7

Retrieved 328 of 328 residues in 149.2 ms (Link to these results)

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