A0A087Y1Q6_POEFO Loading...

Receptor activity-modifying protein 3

AlphaFold DB , UniProt , Accession A0A087Y1Q6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 165 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
1M47.6Very low67.2Low211 Ų211118 Ų118100%1.03961%0.61SS**  097.40-158.4151.687.100105.3
2D52.4Low68.3Low124 Ų124117.4 Ų117.466%0.66361%0.608SS**  trans-72.4136.3-161.3-63.9-34.2000110.3N4 E5D2-N4 PolarHBondContact O-N 3.37Å; D2-E5 PolarHBondContact O-N 3.2Å
3T63.6Low69.5Low119 Ų119118.1 Ų118.173%0.7360%0.604SS**Hα-helixtrans-49.8-27.2-176.9-46.20000112.9F6 V7T3-F6 PolarHBondContact O-N 3.32Å; T3-V7 WeakPolarHBondContact O-CG2 3.43Å; T3-V7 PolarHBondContact O-N 3.39Å
4N59.7Low70.5Confident129 Ų129117 Ų11769%0.6960%0.599SS**Hα-helixtrans-66.3-38.7174.3-105.3-1000114.1D2 F6 V7 V8D2-N4 PolarHBondContact O-N 3.37Å; N4-F6 VanDerWaalsContact C-N 3.3Å; N4-F6 PolarHBondContact O-N 2.74Å; N4-V7 PolarHBondContact O-N 3.16Å; N4-V8 WeakPolarHBondContact O-CG2 3.29Å; N4-V8 PolarHBondContact O-N 2.88Å
5E65.1Low71.1Confident136 Ų136112.4 Ų112.464%0.63659%0.586SS**Hα-helixtrans-65.6-37.2176.6-78.5-148.1132.900111.6D2 V7 V8 L9D2-E5 PolarHBondContact O-N 3.2Å; E5-V7 VanDerWaalsContact C-N 3.32Å; E5-V7 PolarHBondContact O-N 3.31Å; E5-V8 PolarHBondContact O-N 3.38Å; E5-L9 VanDerWaalsContact O-CB 3.28Å; E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 PolarHBondContact O-N 3.01Å
6F68.8Low71.8Confident113 Ų113114.1 Ų114.150%0.49659%0.587SS.*Hα-helixtrans-67.6-34178.1-166.8-107.2000112.3T3 N4 K10T3-F6 PolarHBondContact O-N 3.32Å; N4-F6 VanDerWaalsContact C-N 3.3Å; N4-F6 PolarHBondContact O-N 2.74Å; F6-K10 HydrophobicContact CD1-CD 4.28Å; F6-K10 HydrophobicContact CE1-CD 3.98Å; F6-K10 WeakPolarHBondContact O-CB 3.38Å; F6-K10 WeakPolarHBondContact O-CG 3.34Å; F6-K10 PolarHBondContact O-N 3.01Å; F6-K10 VanDerWaalsContact O-N 3.09Å
7V73.4Confident72.4Confident71 Ų71113.5 Ų113.543%0.4359%0.585SS.*Hα-helixtrans-71.2-44.5175.8173.20000110.9T3 N4 E5 L9 K10 L11T3-V7 WeakPolarHBondContact O-CG2 3.43Å; T3-V7 PolarHBondContact O-N 3.39Å; N4-V7 PolarHBondContact O-N 3.16Å; E5-V7 VanDerWaalsContact C-N 3.32Å; E5-V7 PolarHBondContact O-N 3.31Å; V7-L9 VanDerWaalsContact C-N 3.35Å; V7-L9 PolarHBondContact O-N 2.9Å; V7-K10 PolarHBondContact O-N 3.43Å; V7-L11 HydrophobicContact CG1-CD1 4.16Å; V7-L11 WeakPolarHBondContact O-CG 3.46Å; V7-L11 PolarHBondContact O-N 3.34Å
8V72.4Confident72.9Confident81 Ų81111.7 Ų111.749%0.49158%0.58SS.*Hα-helixtrans-62.3-44176.7173.80000110.8N4 E5 K10 L11 L12N4-V8 WeakPolarHBondContact O-CG2 3.29Å; N4-V8 PolarHBondContact O-N 2.88Å; E5-V8 PolarHBondContact O-N 3.38Å; V8-K10 VanDerWaalsContact C-N 3.33Å; V8-K10 PolarHBondContact O-N 3.39Å; V8-L11 PolarHBondContact O-N 3.46Å; V8-L12 HydrophobicContact CG1-CD1 4.11Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 2.91Å
9L77.4Confident72.9Confident89 Ų89110.6 Ų110.647%0.46658%0.575SS.*Hα-helixtrans-59.8-44.4176.9-169.368.7000111.2E5 V7 L11 L12 F13E5-L9 VanDerWaalsContact O-CB 3.28Å; E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 PolarHBondContact O-N 3.01Å; V7-L9 VanDerWaalsContact C-N 3.35Å; V7-L9 PolarHBondContact O-N 2.9Å; L9-L11 PolarHBondContact O-N 3.05Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-F13 HydrophobicContact CD1-CD2 4.21Å; L9-F13 HydrophobicContact CD1-CE2 3.79Å; L9-F13 HydrophobicContact CD2-CE2 4.2Å; L9-F13 HydrophobicContact CG-CD2 3.88Å; L9-F13 HydrophobicContact CG-CE2 3.71Å; L9-F13 WeakPolarHBondContact O-CD2 3.38Å; L9-F13 PolarHBondContact O-N 3.48Å
10K77.8Confident73.1Confident119 Ų119108.3 Ų108.352%0.51757%0.565SS.*Hα-helixtrans-61.6-41.1175.1-82.4-172.4168.1-173.40113.1F6 V7 V8 F13 L14F6-K10 HydrophobicContact CD1-CD 4.28Å; F6-K10 HydrophobicContact CE1-CD 3.98Å; F6-K10 WeakPolarHBondContact O-CB 3.38Å; F6-K10 WeakPolarHBondContact O-CG 3.34Å; F6-K10 PolarHBondContact O-N 3.01Å; F6-K10 VanDerWaalsContact O-N 3.09Å; V7-K10 PolarHBondContact O-N 3.43Å; V8-K10 VanDerWaalsContact C-N 3.33Å; V8-K10 PolarHBondContact O-N 3.39Å; K10-F13 PolarHBondContact O-N 3.42Å; K10-L14 WeakPolarHBondContact O-CB 3.47Å; K10-L14 VanDerWaalsContact O-CG 3.27Å; K10-L14 WeakPolarHBondContact O-CG 3.26Å; K10-L14 PolarHBondContact O-N 2.94Å
11L80.9Confident73.2Confident106 Ų106112.7 Ų112.756%0.55558%0.575SS**Hα-helixtrans-65.7-39.6177.4-71.3171000111.7V7 V8 L9 L14 A15V7-L11 HydrophobicContact CG1-CD1 4.16Å; V7-L11 WeakPolarHBondContact O-CG 3.46Å; V7-L11 PolarHBondContact O-N 3.34Å; V8-L11 PolarHBondContact O-N 3.46Å; L9-L11 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 3.28Å; L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.2Å
12L80.8Confident74Confident111 Ų111109.1 Ų109.158%0.58156%0.557SS**Hα-helixtrans-65.8-42.6175.5-69.8173000112.1V8 L9 A15 F16V8-L12 HydrophobicContact CG1-CD1 4.11Å; V8-L12 HydrophobicContact CG1-CG 4.45Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 3.07Å; L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 2.98Å
13F83.9Confident74.5Confident126 Ų126110.5 Ų110.555%0.55356%0.561SS**Hα-helixtrans-62.7-43174.2-88-71.5000112.1L9 K10 F16 L17L9-F13 HydrophobicContact CD1-CD2 4.21Å; L9-F13 HydrophobicContact CD1-CE2 3.79Å; L9-F13 HydrophobicContact CD2-CE2 4.2Å; L9-F13 HydrophobicContact CG-CD2 3.88Å; L9-F13 HydrophobicContact CG-CE2 3.71Å; L9-F13 WeakPolarHBondContact O-CD2 3.38Å; L9-F13 PolarHBondContact O-N 3.48Å; K10-F13 PolarHBondContact O-N 3.42Å; F13-F16 PolarHBondContact O-N 2.92Å; F13-L17 WeakPolarHBondContact O-CB 3.26Å; F13-L17 VanDerWaalsContact O-CG 3.28Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.41Å
14L82.7Confident74.4Confident103 Ų103108.9 Ų108.954%0.53956%0.555SS.*Hα-helixtrans-63.7-43.3176-74.6168.7000111.5K10 L11 F16 L17 V18K10-L14 WeakPolarHBondContact O-CB 3.47Å; K10-L14 VanDerWaalsContact O-CG 3.27Å; K10-L14 WeakPolarHBondContact O-CG 3.26Å; K10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 3.28Å; L14-F16 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 2.99Å; L14-V18 WeakPolarHBondContact O-CB 3.49Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 3.5Å
15A79.4Confident74.4Confident48 Ų48105.9 Ų105.940%0.39756%0.555SS.*Hα-helixtrans-62.2-43175.900000111.7L11 L12 V18 N19L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.2Å; L12-A15 PolarHBondContact O-N 3.07Å; A15-V18 PolarHBondContact O-N 3.49Å; A15-N19 WeakPolarHBondContact O-CB 3.33Å; A15-N19 PolarHBondContact O-N 3.35Å; A15-N19 PolarHBondContact O-ND2 3.47Å
16F83.6Confident73.7Confident139 Ų139105.3 Ų105.361%0.6156%0.561SS**Hα-helixtrans-61.9-47.3176.2-173.1-95.6000111.5L12 F13 L14 V18 N19 T20L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 2.98Å; F13-F16 PolarHBondContact O-N 2.92Å; L14-F16 PolarHBondContact O-N 3.34Å; F16-V18 PolarHBondContact O-N 3.35Å; F16-N19 PolarHBondContact O-N 3.26Å; F16-T20 HydrophobicContact CD1-CG2 4.01Å; F16-T20 HydrophobicContact CE1-CG2 3.63Å; F16-T20 HydrophobicContact CE2-CG2 4.49Å; F16-T20 HydrophobicContact CZ-CG2 3.9Å; F16-T20 WeakPolarHBondContact O-CG2 3.43Å; F16-T20 PolarHBondContact O-N 2.96Å; F16-T20 PolarHBondContact O-OG1 2.96Å
17L82Confident73Confident104 Ų104104.3 Ų104.355%0.54557%0.568SS.*Hα-helixtrans-59.6-44.8177.7-74170.1000112F13 L14 T20 W21F13-L17 WeakPolarHBondContact O-CB 3.26Å; F13-L17 VanDerWaalsContact O-CG 3.28Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 2.99Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 2.66Å; L17-T20 PolarHBondContact O-OG1 3.29Å; L17-W21 WeakPolarHBondContact O-CB 3.32Å; L17-W21 PolarHBondContact O-N 3.01Å
18V80Confident71.6Confident82 Ų82105.4 Ų105.450%0.49758%0.584SS.*Hα-helixtrans-62.6-44177.4171.80000111.2L14 A15 F16 W21 M22L14-V18 WeakPolarHBondContact O-CB 3.49Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 3.5Å; A15-V18 PolarHBondContact O-N 3.49Å; F16-V18 PolarHBondContact O-N 3.35Å; V18-W21 PolarHBondContact O-N 3.25Å; V18-M22 WeakPolarHBondContact O-CB 3.48Å; V18-M22 PolarHBondContact O-N 3.48Å
19N74.3Confident70.5Confident91 Ų91105.9 Ų105.949%0.48759%0.591SS.*Hα-helixtrans-64.2-43.6177.2-76.2-56.8000112A15 F16 W21 M22 M23A15-N19 WeakPolarHBondContact O-CB 3.33Å; A15-N19 PolarHBondContact O-N 3.35Å; A15-N19 PolarHBondContact O-ND2 3.47Å; F16-N19 PolarHBondContact O-N 3.26Å; N19-W21 VanDerWaalsContact C-N 3.31Å; N19-W21 PolarHBondContact O-N 3.23Å; N19-M22 PolarHBondContact O-N 2.9Å; N19-M23 WeakPolarHBondContact O-CG 3.29Å; N19-M23 PolarHBondContact O-N 3.02Å; N19-M23 VanDerWaalsContact O-N 3.07Å
20T75.7Confident68.8Low63 Ų63108.9 Ų108.939%0.38761%0.608SS.*Hα-helixtrans-63.5-37.2176.354.70000112.5F16 L17 M23 S24F16-T20 HydrophobicContact CD1-CG2 4.01Å; F16-T20 HydrophobicContact CE1-CG2 3.63Å; F16-T20 HydrophobicContact CE2-CG2 4.49Å; F16-T20 HydrophobicContact CZ-CG2 3.9Å; F16-T20 WeakPolarHBondContact O-CG2 3.43Å; F16-T20 PolarHBondContact O-N 2.96Å; F16-T20 PolarHBondContact O-OG1 2.96Å; L17-T20 WeakPolarHBondContact CA-OG1 3.41Å; L17-T20 PolarHBondContact O-N 2.66Å; L17-T20 PolarHBondContact O-OG1 3.29Å; T20-M23 PolarHBondContact O-N 3.35Å; T20-S24 PolarHBondContact O-N 3.47Å; T20-S24 PolarHBondContact O-OG 2.97Å
21W75.1Confident67.3Low201 Ų201108.2 Ų108.276%0.76161%0.614SS**Hα-helixtrans-70.2-37.3177.4-174.553.2000111.9L17 V18 N19 M23 S24L17-W21 WeakPolarHBondContact O-CB 3.32Å; L17-W21 PolarHBondContact O-N 3.01Å; V18-W21 PolarHBondContact O-N 3.25Å; N19-W21 VanDerWaalsContact C-N 3.31Å; N19-W21 PolarHBondContact O-N 3.23Å; W21-M23 VanDerWaalsContact C-N 3.33Å; W21-M23 PolarHBondContact O-N 3Å; W21-S24 WeakPolarHBondContact CA-OG 3.45Å; W21-S24 PolarHBondContact O-N 3.26Å; W21-S24 PolarHBondContact O-OG 3.5Å
22M65.9Low65.4Low137 Ų137111.7 Ų111.768%0.67563%0.625SS**Hα-helixtrans-67.2-33.5176.4-158.6158.689.200112.2V18 N19V18-M22 WeakPolarHBondContact O-CB 3.48Å; V18-M22 PolarHBondContact O-N 3.48Å; N19-M22 PolarHBondContact O-N 2.9Å
23M61.7Low63.7Low152 Ų152113.2 Ų113.275%0.74963%0.633SS**Hα-helixtrans-75.2-26176.5-67.5-173.982.200113.9N19 T20 W21 G25N19-M23 WeakPolarHBondContact O-CG 3.29Å; N19-M23 PolarHBondContact O-N 3.02Å; N19-M23 VanDerWaalsContact O-N 3.07Å; T20-M23 PolarHBondContact O-N 3.35Å; W21-M23 VanDerWaalsContact C-N 3.33Å; W21-M23 PolarHBondContact O-N 3Å; M23-G25 PolarHBondContact O-N 3.47Å
24S62.4Low61.8Low86 Ų86112.3 Ų112.360%0.60163%0.634SS**THydrogen-bonded Turntrans-69.4-9.1175.338.70000114.8T20 W21T20-S24 PolarHBondContact O-N 3.47Å; T20-S24 PolarHBondContact O-OG 2.97Å; W21-S24 WeakPolarHBondContact CA-OG 3.45Å; W21-S24 PolarHBondContact O-N 3.26Å; W21-S24 PolarHBondContact O-OG 3.5Å
25G59.2Low59.9Low66 Ų66115 Ų11568%0.6864%0.644SS**THydrogen-bonded Turntrans-90-11.5-177.600000115.9M23M23-G25 PolarHBondContact O-N 3.47Å
26T50.6Low58.5Low124 Ų124118.4 Ų118.476%0.76166%0.662SS**  trans-106.967.5-177.460.50000111.2
27S53.3Low56.6Low92 Ų92117.5 Ų117.564%0.64367%0.667SS**  trans-104.6101.5162.7169.60000107.5S29S27-S29 PolarHBondContact O-N 3.28Å; S27-S29 PolarHBondContact OG-OG 3.37Å
28A44.9Very low54.8Low94 Ų94116.5 Ų116.578%0.77766%0.662SS**  trans-74.39117000000108.9D30A28-D30 PolarHBondContact O-N 2.96Å
29S49.7Very low52.9Low91 Ų91118.9 Ų118.964%0.63668%0.677SS**  trans-90.379.3166.8-560000108.5S27 T31S27-S29 PolarHBondContact O-N 3.28Å; S27-S29 PolarHBondContact OG-OG 3.37Å; S29-T31 VanDerWaalsContact C-N 3.33Å; S29-T31 PolarHBondContact O-N 2.92Å
30D41.8Very low51.5Low151 Ų151124.1 Ų124.181%0.80769%0.69SS**  trans-71.790.2171.7-82.1-30.1000109.5A28 F32A28-D30 PolarHBondContact O-N 2.96Å; D30-F32 PolarHBondContact O-N 3.23Å
31T46.2Very low50.3Low105 Ų105129.2 Ų129.264%0.64471%0.709SS**  trans-87.791.8166.2-50.60000107.5S29 N33S29-T31 VanDerWaalsContact C-N 3.33Å; S29-T31 PolarHBondContact O-N 2.92Å; T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 2.88Å
32F39.6Very low49.4Very low179 Ų179130.3 Ų130.379%0.78571%0.713SS**  trans-69.986.5173.2-136.5-93.5000108.8D30 L34D30-F32 PolarHBondContact O-N 3.23Å; F32-L34 VanDerWaalsContact C-N 3.25Å; F32-L34 HydrophobicContact CD1-CB 4.44Å; F32-L34 HydrophobicContact CD1-CD1 3.52Å; F32-L34 HydrophobicContact CE1-CD1 3.34Å; F32-L34 PolarHBondContact O-N 3.44Å
33N44.9Very low49.3Very low143 Ų143131.7 Ų131.777%0.76571%0.711SS**  trans-71.585.4168.5-75.3-70000108.4T31 E35T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 2.88Å; N33-E35 PolarHBondContact O-N 3.46Å
34L44.9Very low50.1Low107 Ų107132.2 Ų132.256%0.5672%0.716SS**  trans-82.793.4168.4-142.985.8000108.4F32 I38F32-L34 VanDerWaalsContact C-N 3.25Å; F32-L34 HydrophobicContact CD1-CB 4.44Å; F32-L34 HydrophobicContact CD1-CD1 3.52Å; F32-L34 HydrophobicContact CE1-CD1 3.34Å; F32-L34 PolarHBondContact O-N 3.44Å; L34-I38 HydrophobicContact CD2-CD1 3.89Å
35E43.5Very low51.3Low161 Ų161130.3 Ų130.375%0.75270%0.702SS**  trans-55121158.2-173.9134.9106.700108N33 T37N33-E35 PolarHBondContact O-N 3.46Å; E35-T37 PolarHBondContact O-N 2.92Å
36P49.7Very low52.9Low119 Ų119131.3 Ų131.377%0.77369%0.692SS**  trans-83.566.8-172.435.3-33.8000109.2
37T42.9Very low54.8Low119 Ų119131.3 Ų131.373%0.7368%0.683SS**  trans-102.566.4160.2-42.60000107.6E35E35-T37 PolarHBondContact O-N 2.92Å
38I45.1Very low56.8Low84 Ų84131.5 Ų131.543%0.43168%0.684SS.*  trans-119.196.2164.2-25.4174000109.5L34 W40L34-I38 HydrophobicContact CD2-CD1 3.89Å; I38-W40 VanDerWaalsContact CB-CD1 3.47Å; I38-W40 HydrophobicContact CB-CG 4.13Å; I38-W40 VanDerWaalsContact CD1-NE1 3.34Å; I38-W40 HydrophobicContact CG2-CB 4.36Å; I38-W40 HydrophobicContact CG2-CD2 3.61Å; I38-W40 HydrophobicContact CG2-CG 3.47Å; I38-W40 VanDerWaalsContact CG2-CG 3.47Å; I38-W40 HydrophobicContact CG2-CZ2 4.05Å; I38-W40 PolarHBondContact O-N 3.42Å
39T39.9Very low59.2Low131 Ų131133.9 Ų133.980%0.80467%0.673SS**  trans-65.361.7150.249.50000108.6Q41T39-Q41 PolarHBondContact O-N 2.79Å
40W44.6Very low61.5Low202 Ų202129.6 Ų129.677%0.76564%0.643SS**  trans-66.795.2149.7-66.3120.5000103.1I38 R42I38-W40 VanDerWaalsContact CB-CD1 3.47Å; I38-W40 HydrophobicContact CB-CG 4.13Å; I38-W40 VanDerWaalsContact CD1-NE1 3.34Å; I38-W40 HydrophobicContact CG2-CB 4.36Å; I38-W40 HydrophobicContact CG2-CD2 3.61Å; I38-W40 HydrophobicContact CG2-CG 3.47Å; I38-W40 VanDerWaalsContact CG2-CG 3.47Å; I38-W40 HydrophobicContact CG2-CZ2 4.05Å; I38-W40 PolarHBondContact O-N 3.42Å; W40-R42 PolarHBondContact O-N 3.12Å
41Q49.9Very low64.1Low170 Ų170129.9 Ų129.979%0.79463%0.633SS**  trans-48.4100.4154.8-150.9116.5-50.600104T39 R43T39-Q41 PolarHBondContact O-N 2.79Å; Q41-R43 PolarHBondContact O-N 3.17Å
42R56.9Low66.5Low223 Ų223132.2 Ų132.284%0.84263%0.63SS**  trans-66.485.9-178.9-168.5-172.4-74.6-161.9-2.1103.7W40 L44W40-R42 PolarHBondContact O-N 3.12Å; R42-L44 PolarHBondContact O-N 3.49Å
43R64.4Low69.3Low166 Ų166124.2 Ų124.263%0.62660%0.595SS**  trans-55.4114.4173.3-80.9-168.2-159.8-1483.8104.1Q41 C45 D98Q41-R43 PolarHBondContact O-N 3.17Å; R43-C45 PolarHBondContact O-N 2.97Å; R43-D98 HydrophobicContact CB-CB 4.07Å; R43-D98 VanDerWaalsContact CD-CB 3.5Å; R43-D98 WeakPolarHBondContact CD-OD1 3.21Å; R43-D98 WeakPolarHBondContact CD-OD2 3.46Å; R43-D98 HydrophobicContact CG-CB 4.39Å; R43-D98 IonicContact CZ-OD1 3.5Å; R43-D98 IonicContact CZ-OD2 3.91Å; R43-D98 IonicContact NE-OD1 3.76Å; R43-D98 IonicContact NH1-OD1 2.76Å; R43-D98 PolarHBondContact NH1-OD1 3.03Å; R43-D98 IonicContact NH1-OD2 2.95Å; R43-D98 PolarHBondContact NH1-OD2 3.18Å
44L78.7Confident71.8Confident164 Ų164117.4 Ų117.486%0.85956%0.559SS**  trans-67.9105.1178.5-76.6114.9000106R42 N46R42-L44 PolarHBondContact O-N 3.49Å; L44-N46 PolarHBondContact O-N 3.43Å
45C87.4Confident74.3Confident46 Ų46116.9 Ų116.931%0.31155%0.553SS.*  trans-57.1122.4170.3170.40000108.2R43 E47 C99R43-C45 PolarHBondContact O-N 2.97Å; C45-E47 PolarHBondContact O-N 3.02Å; C45-E47 VanDerWaalsContact O-N 3.12Å; C45-C99 VanDerWaalsContact CA-SG 3.51Å; C45-C99 HydrophobicContact CB-CB 3.93Å; C45-C99 WeakPolarHBondContact CB-SG 3.33Å; C45-C99 WeakPolarHBondContact SG-CB 3.34Å; C45-C99 CovalentContact SG-SG 2.02Å; C45-C99 PolarHBondContact SG-SG 3.48Å
46N91.6Very high76.9Confident86 Ų86111.4 Ų111.446%0.4653%0.531SS..  trans-82.688.7173.8-173.7-24.4000108.8L44 S48 R49 L50L44-N46 PolarHBondContact O-N 3.43Å; N46-S48 PolarHBondContact O-N 2.84Å; N46-S48 PolarHBondContact OD1-N 3.04Å; N46-R49 HydrophobicContact CB-CB 4.11Å; N46-R49 PolarHBondContact O-N 2.7Å; N46-R49 PolarHBondContact OD1-N 2.84Å; N46-R49 VanDerWaalsContact OD1-N 3.12Å; N46-L50 PolarHBondContact O-N 2.9Å
47E91.8Very high79.2Confident125 Ų125105.9 Ų105.958%0.58450%0.495SS*.Hα-helixtrans-57.7-35-177.2-65-175.5-179.500113.1C45 R49 L50 R51 L105C45-E47 PolarHBondContact O-N 3.02Å; C45-E47 VanDerWaalsContact O-N 3.12Å; E47-R49 VanDerWaalsContact C-N 3.33Å; E47-R49 PolarHBondContact O-N 3.47Å; E47-L50 PolarHBondContact O-N 3.48Å; E47-R51 WeakPolarHBondContact O-CB 3.48Å; E47-R51 PolarHBondContact O-N 3.02Å; E47-L105 HydrophobicContact CB-CD1 4.26Å; E47-L105 WeakPolarHBondContact O-CD1 3.34Å
48S94.6Very high81.8Confident95 Ų95100.2 Ų100.266%0.66446%0.46SS*.Hα-helixtrans-63.4-41.3176.9-54.40000111.4N46N46-S48 PolarHBondContact O-N 2.84Å; N46-S48 PolarHBondContact OD1-N 3.04Å
49R95.7Very high84.3Confident144 Ų144100 Ų10054%0.54346%0.457SS..Hα-helixtrans-71.7-43175.8-172.6165.1178.8157.3-2.7111.5N46 E47 R51 W52 E53 V97N46-R49 HydrophobicContact CB-CB 4.11Å; N46-R49 PolarHBondContact O-N 2.7Å; N46-R49 PolarHBondContact OD1-N 2.84Å; N46-R49 VanDerWaalsContact OD1-N 3.12Å; E47-R49 VanDerWaalsContact C-N 3.33Å; E47-R49 PolarHBondContact O-N 3.47Å; R49-R51 VanDerWaalsContact C-N 3.25Å; R49-R51 PolarHBondContact O-N 2.83Å; R49-W52 PolarHBondContact O-N 2.98Å; R49-W52 VanDerWaalsContact O-N 3.14Å; R49-E53 HydrophobicContact CG-CG 4.41Å; R49-E53 IonicContact NE-OE1 3.63Å; R49-E53 IonicContact NH2-OE1 3.85Å; R49-E53 WeakPolarHBondContact O-CG 3.46Å; R49-E53 PolarHBondContact O-N 3.18Å; R49-E53 VanDerWaalsContact O-N 3.1Å; R49-V97 HydrophobicContact CG-CG1 3.93Å
50L96.5Very high87.1Confident1 Ų196.9 Ų96.91%0.00544%0.436CS..Hα-helixtrans-55.6-42.6176179.363.6000111.6N46 E47 W52 E53 V54 V97 C99 L105N46-L50 PolarHBondContact O-N 2.9Å; E47-L50 PolarHBondContact O-N 3.48Å; L50-W52 VanDerWaalsContact C-N 3.29Å; L50-W52 PolarHBondContact O-N 3.03Å; L50-E53 PolarHBondContact O-N 3.41Å; L50-V54 HydrophobicContact CD1-CG2 3.97Å; L50-V54 HydrophobicContact CG-CG2 4.22Å; L50-V54 VanDerWaalsContact O-CG2 3.28Å; L50-V54 WeakPolarHBondContact O-CG2 3.25Å; L50-V54 PolarHBondContact O-N 3.42Å; L50-V97 HydrophobicContact CB-CG2 4.09Å; L50-V97 HydrophobicContact CD1-CG2 3.77Å; L50-V97 HydrophobicContact CG-CG2 4.5Å; L50-C99 HydrophobicContact CD1-CB 4.47Å; L50-C99 HydrophobicContact CD2-CB 4.07Å; L50-L105 HydrophobicContact CB-CD1 4.47Å; L50-L105 HydrophobicContact CD2-CB 4.39Å; L50-L105 HydrophobicContact CD2-CD1 4.28Å; L50-L105 HydrophobicContact CD2-CD2 4.13Å; L50-L105 HydrophobicContact CG-CD1 4.41Å; L50-L105 HydrophobicContact CG-CD2 3.98Å
51R97.2Very high89.6Confident158 Ų15887.3 Ų87.360%0.59640%0.4SS*.Hα-helixtrans-52.5-48.2176.3-167.7177-62.4-179.21.4112.5E47 R49 V54 E55 L105E47-R51 WeakPolarHBondContact O-CB 3.48Å; E47-R51 PolarHBondContact O-N 3.02Å; R49-R51 VanDerWaalsContact C-N 3.25Å; R49-R51 PolarHBondContact O-N 2.83Å; R51-V54 PolarHBondContact O-N 3.28Å; R51-E55 WeakPolarHBondContact O-CB 3.33Å; R51-E55 PolarHBondContact O-N 3.32Å; R51-L105 HydrophobicContact CB-CD1 4.06Å
52W97.5Very high91.9Very high153 Ų15382.4 Ų82.458%0.5838%0.376SS*.Hα-helixtrans-67.3-42.3-179.2-172.669.2000111.8R49 L50 V54 E55 V56R49-W52 PolarHBondContact O-N 2.98Å; R49-W52 VanDerWaalsContact O-N 3.14Å; L50-W52 VanDerWaalsContact C-N 3.29Å; L50-W52 PolarHBondContact O-N 3.03Å; W52-V54 VanDerWaalsContact C-N 3.31Å; W52-V54 PolarHBondContact O-N 2.94Å; W52-E55 PolarHBondContact O-N 3.46Å; W52-V56 HydrophobicContact CD2-CG2 4.47Å; W52-V56 HydrophobicContact CZ2-CG2 4.36Å; W52-V56 WeakPolarHBondContact O-CG2 3.33Å; W52-V56 PolarHBondContact O-N 3.09Å
53E97.4Very high93.8Very high11 Ų1177.3 Ų77.35%0.05136%0.36CS..Hα-helixtrans-64-37178.1-60-73.5178.800112.2R49 L50 C57 K93 V97R49-E53 HydrophobicContact CG-CG 4.41Å; R49-E53 IonicContact NE-OE1 3.63Å; R49-E53 IonicContact NH2-OE1 3.85Å; R49-E53 WeakPolarHBondContact O-CG 3.46Å; R49-E53 PolarHBondContact O-N 3.18Å; R49-E53 VanDerWaalsContact O-N 3.1Å; L50-E53 PolarHBondContact O-N 3.41Å; E53-C57 PolarHBondContact O-N 3.46Å; E53-C57 PolarHBondContact O-SG 3.04Å; E53-C57 VanDerWaalsContact O-SG 3.41Å; E53-K93 HydrophobicContact CB-CB 3.83Å; E53-K93 HydrophobicContact CB-CD 4.07Å; E53-K93 HydrophobicContact CB-CG 3.99Å; E53-K93 HydrophobicContact CG-CD 4.47Å; E53-K93 VanDerWaalsContact OE2-CD 3.29Å; E53-K93 WeakPolarHBondContact OE2-CD 2.99Å; E53-K93 VanDerWaalsContact OE2-CE 3.28Å; E53-K93 WeakPolarHBondContact OE2-CE 3.31Å; E53-K93 IonicContact OE2-NZ 2.71Å; E53-K93 PolarHBondContact OE2-NZ 3.23Å; E53-V97 HydrophobicContact CG-CG1 4.03Å
54V97.5Very high95.3Very high0 Ų071.8 Ų71.80%034%0.343CS..Hα-helixtrans-70.9-38.2175.7172.80000111.7L50 R51 W52 V56 C57 G58 T90 L105 V106 Y109L50-V54 HydrophobicContact CD1-CG2 3.97Å; L50-V54 HydrophobicContact CG-CG2 4.22Å; L50-V54 VanDerWaalsContact O-CG2 3.28Å; L50-V54 WeakPolarHBondContact O-CG2 3.25Å; L50-V54 PolarHBondContact O-N 3.42Å; R51-V54 PolarHBondContact O-N 3.28Å; W52-V54 VanDerWaalsContact C-N 3.31Å; W52-V54 PolarHBondContact O-N 2.94Å; V54-V56 VanDerWaalsContact C-N 3.33Å; V54-V56 PolarHBondContact O-N 3.49Å; V54-C57 WeakPolarHBondContact O-CB 3.34Å; V54-C57 PolarHBondContact O-N 2.96Å; V54-G58 PolarHBondContact O-N 3.26Å; V54-T90 HydrophobicContact CG1-CG2 4.39Å; V54-L105 HydrophobicContact CB-CD2 4.39Å; V54-L105 HydrophobicContact CG2-CD2 4.1Å; V54-V106 HydrophobicContact CG2-CG2 3.68Å; V54-Y109 HydrophobicContact CG1-CD1 3.37Å; V54-Y109 HydrophobicContact CG1-CD2 4.01Å; V54-Y109 HydrophobicContact CG1-CE1 3.95Å; V54-Y109 HydrophobicContact CG1-CG 3.4Å; V54-Y109 VanDerWaalsContact CG1-CG 3.4Å
55E97.6Very high96.1Very high96 Ų9664 Ų6445%0.44930%0.302SS..Hα-helixtrans-60.3-43.7174.5-173.7171.3-16300111.2R51 W52 C57 G58 E59R51-E55 WeakPolarHBondContact O-CB 3.33Å; R51-E55 PolarHBondContact O-N 3.32Å; W52-E55 PolarHBondContact O-N 3.46Å; E55-C57 PolarHBondContact O-N 2.96Å; E55-G58 PolarHBondContact O-N 3.47Å; E55-G58 VanDerWaalsContact O-N 3.1Å; E55-E59 PolarHBondContact O-N 2.04Å
56V97.8Very high96.4Very high47 Ų4765.8 Ų65.829%0.28532%0.32SS..Hα-helixtrans-56.7-49.1173.5172.30000111.3W52 V54 G58 E59 D60W52-V56 HydrophobicContact CD2-CG2 4.47Å; W52-V56 HydrophobicContact CZ2-CG2 4.36Å; W52-V56 WeakPolarHBondContact O-CG2 3.33Å; W52-V56 PolarHBondContact O-N 3.09Å; V54-V56 VanDerWaalsContact C-N 3.33Å; V54-V56 PolarHBondContact O-N 3.49Å; V56-G58 PolarHBondContact O-N 2.91Å; V56-E59 PolarHBondContact O-N 3.36Å; V56-D60 PolarHBondContact O-N 3.21Å; V56-D60 VanDerWaalsContact O-N 3.08Å
57C98.1Very high96.5Very high2 Ų269.3 Ų69.31%0.01433%0.333CS..Hα-helixtrans-58.1-38.2176.3-65.90000112.5E53 V54 E55 F61 F86 C89 T90 K93E53-C57 PolarHBondContact O-N 3.46Å; E53-C57 PolarHBondContact O-SG 3.04Å; E53-C57 VanDerWaalsContact O-SG 3.41Å; V54-C57 WeakPolarHBondContact O-CB 3.34Å; V54-C57 PolarHBondContact O-N 2.96Å; E55-C57 PolarHBondContact O-N 2.96Å; C57-F61 WeakPolarHBondContact O-CB 3.05Å; C57-F61 PolarHBondContact O-N 2.89Å; C57-F86 HydrophobicContact CB-CD2 4.24Å; C57-F86 HydrophobicContact CB-CE2 4.35Å; C57-C89 VanDerWaalsContact CA-SG 3.53Å; C57-C89 HydrophobicContact CB-CB 3.75Å; C57-C89 WeakPolarHBondContact CB-SG 3.31Å; C57-C89 WeakPolarHBondContact SG-CB 3.43Å; C57-C89 CovalentContact SG-SG 2.04Å; C57-C89 PolarHBondContact SG-SG 3.25Å; C57-T90 HydrophobicContact CB-CG2 4.02Å; C57-K93 VanDerWaalsContact SG-CG 3.53Å
58G97.9Very high96.7Very high0 Ų064 Ų640%031%0.309CS..Hα-helixtrans-73.6-33.7178.500000114V54 E55 V56 D60 F61 K62 Y109V54-G58 PolarHBondContact O-N 3.26Å; E55-G58 PolarHBondContact O-N 3.47Å; E55-G58 VanDerWaalsContact O-N 3.1Å; V56-G58 PolarHBondContact O-N 2.91Å; G58-D60 VanDerWaalsContact C-N 3.32Å; G58-F61 PolarHBondContact O-N 3.1Å; G58-K62 VanDerWaalsContact O-CG 3.29Å; G58-K62 WeakPolarHBondContact O-CG 3.34Å; G58-K62 PolarHBondContact O-N 3.31Å; G58-Y109 WeakPolarHBondContact CA-OH 3.4Å
59E97.8Very high96.7Very high79 Ų7963.7 Ų63.737%0.36930%0.3SS..Hα-helixtrans-65.7-37.2172.7-72.2-55.612900111.8E55 V56 K62 K63E55-E59 PolarHBondContact O-N 2.04Å; V56-E59 PolarHBondContact O-N 3.36Å; E59-K62 PolarHBondContact O-N 3.4Å; E59-K62 IonicContact OE1-NZ 2.68Å; E59-K62 PolarHBondContact OE1-NZ 3.2Å; E59-K63 WeakPolarHBondContact O-CG 3.29Å; E59-K63 PolarHBondContact O-N 2.89Å
60D97.8Very high96.6Very high66 Ų6660.9 Ų60.935%0.35330%0.3SS..Hα-helixtrans-67.6-44.9173.3-68.4-23.4000110.9V56 G58 K62 K63 D64V56-D60 PolarHBondContact O-N 3.21Å; V56-D60 VanDerWaalsContact O-N 3.08Å; G58-D60 VanDerWaalsContact C-N 3.32Å; D60-K62 VanDerWaalsContact C-N 3.28Å; D60-K62 PolarHBondContact O-N 2.95Å; D60-K63 WeakPolarHBondContact O-CB 3.38Å; D60-K63 PolarHBondContact O-N 3.25Å; D60-K63 IonicContact OD1-NZ 2.81Å; D60-K63 PolarHBondContact OD1-NZ 2.94Å; D60-D64 PolarHBondContact O-N 3.37Å
61F97.9Very high96.4Very high2 Ų268.6 Ų68.61%0.00934%0.337CS..Hα-helixtrans-55.7-40.3172.8179.5-107.6000113.1C57 G58 K63 D64 M65 E82 Y83 F86 I113 F117 F118C57-F61 WeakPolarHBondContact O-CB 3.05Å; C57-F61 PolarHBondContact O-N 2.89Å; G58-F61 PolarHBondContact O-N 3.1Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.43Å; F61-D64 PolarHBondContact O-N 3.38Å; F61-M65 HydrophobicContact CD1-CG 4.08Å; F61-M65 HydrophobicContact CD2-CG 4.08Å; F61-M65 HydrophobicContact CE1-CG 3.57Å; F61-M65 HydrophobicContact CE1-SD 4.44Å; F61-M65 HydrophobicContact CE2-CG 3.59Å; F61-M65 HydrophobicContact CE2-SD 3.9Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CG 3.33Å; F61-M65 HydrophobicContact CZ-SD 3.67Å; F61-M65 WeakPolarHBondContact O-CB 3.32Å; F61-M65 VanDerWaalsContact O-CG 3.3Å; F61-M65 WeakPolarHBondContact O-CG 3.39Å; F61-M65 PolarHBondContact O-N 2.9Å; F61-E82 HydrophobicContact CD2-CB 4.34Å; F61-E82 HydrophobicContact CE2-CB 4.09Å; F61-Y83 HydrophobicContact CE2-CD2 4.23Å; F61-Y83 HydrophobicContact CZ-CD2 4.12Å; F61-F86 HydrophobicContact CB-CB 3.98Å; F61-F86 HydrophobicContact CB-CD2 3.86Å; F61-F86 HydrophobicContact CB-CG 4.06Å; F61-F86 HydrophobicContact CD2-CB 3.56Å; F61-F86 HydrophobicContact CD2-CG 4.09Å; F61-F86 HydrophobicContact CE2-CB 4.3Å; F61-F86 HydrophobicContact CG-CB 3.91Å; F61-F86 HydrophobicContact CG-CD2 4.25Å; F61-F86 HydrophobicContact CG-CG 4.01Å; F61-I113 HydrophobicContact CD1-CD1 4.27Å; F61-I113 HydrophobicContact CD1-CG2 3.73Å; F61-I113 HydrophobicContact CE1-CG2 3.34Å; F61-I113 HydrophobicContact CZ-CG2 4.23Å; F61-F117 HydrophobicContact CD1-CD2 4.4Å; F61-F117 AromaticContact CD1-CE2 3.95Å; F61-F117 HydrophobicContact CD1-CE2 3.95Å; F61-F117 AromaticContact CE1-CD2 3.73Å; F61-F117 HydrophobicContact CE1-CD2 3.73Å; F61-F117 AromaticContact CE1-CE2 3.71Å; F61-F117 HydrophobicContact CE1-CE2 3.71Å; F61-F117 HydrophobicContact CE1-CG 4.49Å; F61-F117 HydrophobicContact CE1-CZ 4.49Å; F61-F118 HydrophobicContact CZ-CZ 4.42Å
62K97.1Very high96.3Very high67 Ų6763.8 Ų63.829%0.29132%0.321SS..Hα-helixtrans-62.7-37.5176.1-73.7170-172.2172.50112.4G58 E59 D60 A66 F117G58-K62 VanDerWaalsContact O-CG 3.29Å; G58-K62 WeakPolarHBondContact O-CG 3.34Å; G58-K62 PolarHBondContact O-N 3.31Å; E59-K62 PolarHBondContact O-N 3.4Å; E59-K62 IonicContact OE1-NZ 2.68Å; E59-K62 PolarHBondContact OE1-NZ 3.2Å; D60-K62 VanDerWaalsContact C-N 3.28Å; D60-K62 PolarHBondContact O-N 2.95Å; K62-A66 PolarHBondContact O-N 2.88Å; K62-F117 HydrophobicContact CB-CZ 4.31Å; K62-F117 HydrophobicContact CG-CE2 4Å; K62-F117 HydrophobicContact CG-CZ 3.84Å
63K97.1Very high96.1Very high116 Ų11659.5 Ų59.550%0.50431%0.305SS..Hα-helixtrans-69.5-41.9175.6-65168.3-158.3152.20110.8E59 D60 F61 A66 H67E59-K63 WeakPolarHBondContact O-CG 3.29Å; E59-K63 PolarHBondContact O-N 2.89Å; D60-K63 WeakPolarHBondContact O-CB 3.38Å; D60-K63 PolarHBondContact O-N 3.25Å; D60-K63 IonicContact OD1-NZ 2.81Å; D60-K63 PolarHBondContact OD1-NZ 2.94Å; F61-K63 VanDerWaalsContact C-N 3.32Å; F61-K63 PolarHBondContact O-N 3.43Å; K63-A66 VanDerWaalsContact O-CB 3.25Å; K63-A66 WeakPolarHBondContact O-CB 3.3Å; K63-A66 PolarHBondContact O-N 3.5Å; K63-A66 VanDerWaalsContact O-N 3.14Å; K63-H67 PolarHBondContact O-CE1 2.85Å; K63-H67 PolarHBondContact O-ND1 2.93Å
64D95.7Very high95.9Very high50 Ų5062.8 Ų62.827%0.26733%0.328SS..Hα-helixtrans-63.8-45.8179.4-66.1-21.2000110.5D60 F61 A66 H67 E82D60-D64 PolarHBondContact O-N 3.37Å; F61-D64 PolarHBondContact O-N 3.38Å; D64-A66 PolarHBondContact O-N 3.36Å; D64-A66 VanDerWaalsContact O-N 3.17Å; D64-H67 WeakPolarHBondContact O-CB 3.45Å; D64-H67 PolarHBondContact O-N 2.93Å; D64-H67 PolarHBondContact O-ND1 3.11Å; D64-H67 VanDerWaalsContact O-ND1 3.16Å; D64-E82 HydrophobicContact CB-CB 4.16Å; D64-E82 HydrophobicContact CB-CG 4.11Å; D64-E82 WeakPolarHBondContact CB-OE2 3.25Å
65M95.9Very high95.8Very high1 Ų165.8 Ų65.81%0.00534%0.344CS..Hα-helixtrans-62.4-19.8174.1-75.2-62.7-65.700114.2F61 H67 V68 W73 F79 E82 F117 F118F61-M65 HydrophobicContact CD1-CG 4.08Å; F61-M65 HydrophobicContact CD2-CG 4.08Å; F61-M65 HydrophobicContact CE1-CG 3.57Å; F61-M65 HydrophobicContact CE1-SD 4.44Å; F61-M65 HydrophobicContact CE2-CG 3.59Å; F61-M65 HydrophobicContact CE2-SD 3.9Å; F61-M65 HydrophobicContact CG-CG 4.32Å; F61-M65 HydrophobicContact CZ-CG 3.33Å; F61-M65 HydrophobicContact CZ-SD 3.67Å; F61-M65 WeakPolarHBondContact O-CB 3.32Å; F61-M65 VanDerWaalsContact O-CG 3.3Å; F61-M65 WeakPolarHBondContact O-CG 3.39Å; F61-M65 PolarHBondContact O-N 2.9Å; M65-H67 PolarHBondContact O-N 3.44Å; M65-V68 HydrophobicContact CE-CB 4.44Å; M65-V68 PolarHBondContact O-N 3.38Å; M65-V68 VanDerWaalsContact O-O 3.1Å; M65-V68 HydrophobicContact SD-CB 4.49Å; M65-V68 HydrophobicContact SD-CG2 4.25Å; M65-W73 VanDerWaalsContact CE-CD1 3.42Å; M65-W73 HydrophobicContact CE-CG 4.03Å; M65-F79 HydrophobicContact CE-CB 4.16Å; M65-F79 HydrophobicContact SD-CB 3.79Å; M65-E82 HydrophobicContact SD-CB 4.43Å; M65-F117 HydrophobicContact CB-CD1 4.37Å; M65-F117 HydrophobicContact CB-CE1 3.75Å; M65-F117 HydrophobicContact CB-CZ 3.98Å; M65-F117 HydrophobicContact CE-CD1 4.04Å; M65-F117 HydrophobicContact CE-CG 4.42Å; M65-F117 HydrophobicContact CG-CE1 4.23Å; M65-F117 HydrophobicContact CG-CZ 4.29Å; M65-F118 HydrophobicContact CE-CE1 4.23Å; M65-F118 HydrophobicContact CE-CZ 4.35Å
66A94.3Very high95.5Very high83 Ų8366.2 Ų66.269%0.68635%0.349SS*.THydrogen-bonded Turntrans-67.4-18.6174.800000112.8K62 K63 D64K62-A66 PolarHBondContact O-N 2.88Å; K63-A66 VanDerWaalsContact O-CB 3.25Å; K63-A66 WeakPolarHBondContact O-CB 3.3Å; K63-A66 PolarHBondContact O-N 3.5Å; K63-A66 VanDerWaalsContact O-N 3.14Å; D64-A66 PolarHBondContact O-N 3.36Å; D64-A66 VanDerWaalsContact O-N 3.17Å
67H94.3Very high95.4Very high159 Ų15969.7 Ų69.774%0.73637%0.37SS*.THydrogen-bonded Turntrans-85.5-12.4173.2-52.697.8000112.8K63 D64 M65K63-H67 PolarHBondContact O-CE1 2.85Å; K63-H67 PolarHBondContact O-ND1 2.93Å; D64-H67 WeakPolarHBondContact O-CB 3.45Å; D64-H67 PolarHBondContact O-N 2.93Å; D64-H67 PolarHBondContact O-ND1 3.11Å; D64-H67 VanDerWaalsContact O-ND1 3.16Å; M65-H67 PolarHBondContact O-N 3.44Å
68V95.1Very high95.2Very high15 Ų1575.9 Ų75.99%0.09139%0.394CS..SBendtrans-94.2123.8176.5-175.90000108.7M65 Q72 W73 E82M65-V68 HydrophobicContact CE-CB 4.44Å; M65-V68 PolarHBondContact O-N 3.38Å; M65-V68 VanDerWaalsContact O-O 3.1Å; M65-V68 HydrophobicContact SD-CB 4.49Å; M65-V68 HydrophobicContact SD-CG2 4.25Å; V68-Q72 HydrophobicContact CG1-CB 4.39Å; V68-W73 PolarHBondContact O-NE1 3.31Å; V68-E82 HydrophobicContact CG2-CG 4.37Å
69D94.4Very high95.1Very high88 Ų8876.9 Ų76.947%0.47140%0.398SS..  trans-56.6130.5177.3-166.3-45.6000110.6E71 Q72D69-E71 PolarHBondContact O-N 3.12Å; D69-E71 VanDerWaalsContact O-N 3.11Å; D69-E71 PolarHBondContact OD1-N 3.14Å; D69-Q72 HydrophobicContact CB-CG 4.25Å; D69-Q72 WeakPolarHBondContact O-CA 3.38Å; D69-Q72 PolarHBondContact O-N 2.94Å
70P93.2Very high95Very high84 Ų8479 Ų7955%0.54541%0.41SS..G310 helixtrans-51.5-30.3175.6-28.135.5000115Q72 W73P70-Q72 PolarHBondContact O-N 3.06Å; P70-W73 HydrophobicContact CB-CD2 4.23Å; P70-W73 HydrophobicContact CB-CE3 4.44Å; P70-W73 HydrophobicContact CB-CH2 4.28Å; P70-W73 HydrophobicContact CB-CZ2 4.04Å; P70-W73 HydrophobicContact CB-CZ3 4.47Å; P70-W73 HydrophobicContact CG-CH2 4.42Å; P70-W73 HydrophobicContact CG-CZ2 3.95Å; P70-W73 PolarHBondContact O-N 3.44Å
71E92.8Very high95Very high164 Ų16479.4 Ų79.477%0.76642%0.418SS*.G310 helixtrans-66-22.9175.5-64.5-173.9177.100112.8D69D69-E71 PolarHBondContact O-N 3.12Å; D69-E71 VanDerWaalsContact O-N 3.11Å; D69-E71 PolarHBondContact OD1-N 3.14Å
72Q94.5Very high95Very high56 Ų5681.5 Ų81.526%0.26243%0.428SS..G310 helixtrans-98.51.5-178.4-58.5-56.4-4600113.7V68 D69 P70 C74 N75 Y78V68-Q72 HydrophobicContact CG1-CB 4.39Å; D69-Q72 HydrophobicContact CB-CG 4.25Å; D69-Q72 WeakPolarHBondContact O-CA 3.38Å; D69-Q72 PolarHBondContact O-N 2.94Å; P70-Q72 PolarHBondContact O-N 3.06Å; Q72-C74 PolarHBondContact O-N 2.95Å; Q72-C74 VanDerWaalsContact O-N 3.12Å; Q72-N75 PolarHBondContact O-N 3.01Å; Q72-Y78 HydrophobicContact CB-CD1 4.21Å; Q72-Y78 HydrophobicContact CB-CD2 4.12Å; Q72-Y78 HydrophobicContact CB-CG 3.84Å; Q72-Y78 HydrophobicContact CG-CD1 4.18Å; Q72-Y78 HydrophobicContact CG-CD2 4.35Å; Q72-Y78 HydrophobicContact CG-CE1 4.29Å; Q72-Y78 HydrophobicContact CG-CE2 4.44Å; Q72-Y78 HydrophobicContact CG-CG 4.2Å; Q72-Y78 VanDerWaalsContact OE1-CE2 3.24Å
73W94.4Very high95Very high64 Ų6480.7 Ų80.724%0.24242%0.423CS..THydrogen-bonded Turntrans-59.3-26.2-179.5-72.4-5.3000113.8M65 V68 P70 F79 F117 F118M65-W73 VanDerWaalsContact CE-CD1 3.42Å; M65-W73 HydrophobicContact CE-CG 4.03Å; V68-W73 PolarHBondContact O-NE1 3.31Å; P70-W73 HydrophobicContact CB-CD2 4.23Å; P70-W73 HydrophobicContact CB-CE3 4.44Å; P70-W73 HydrophobicContact CB-CH2 4.28Å; P70-W73 HydrophobicContact CB-CZ2 4.04Å; P70-W73 HydrophobicContact CB-CZ3 4.47Å; P70-W73 HydrophobicContact CG-CH2 4.42Å; P70-W73 HydrophobicContact CG-CZ2 3.95Å; P70-W73 PolarHBondContact O-N 3.44Å; W73-F79 WeakPolarHBondContact O-CD1 3.04Å; W73-F79 WeakPolarHBondContact O-CE1 3.33Å; W73-F117 HydrophobicContact CD2-CD1 4.18Å; W73-F117 AromaticContact CE2-CD1 3.89Å; W73-F117 HydrophobicContact CE3-CD1 4.31Å; W73-F117 AromaticContact CH2-CD1 3.91Å; W73-F117 HydrophobicContact CH2-CD1 3.91Å; W73-F117 HydrophobicContact CH2-CE1 4.29Å; W73-F117 AromaticContact CZ2-CD1 3.76Å; W73-F117 HydrophobicContact CZ2-CD1 3.76Å; W73-F117 HydrophobicContact CZ2-CE1 4.01Å; W73-F117 HydrophobicContact CZ3-CD1 4.18Å; W73-F118 HydrophobicContact CB-CD1 4.3Å; W73-F118 HydrophobicContact CB-CE1 4.32Å; W73-F118 VanDerWaalsContact O-CD1 3.24Å; W73-F118 WeakPolarHBondContact O-CD1 3.47Å; W73-F118 VanDerWaalsContact O-CE1 3.23Å; W73-F118 WeakPolarHBondContact O-CE1 3.37Å
74C94Very high95Very high79 Ų7980.5 Ų80.553%0.53442%0.424SS..THydrogen-bonded Turntrans-88.6-1.5177.1-54.50000114Q72 C121Q72-C74 PolarHBondContact O-N 2.95Å; Q72-C74 VanDerWaalsContact O-N 3.12Å; C74-C121 WeakPolarHBondContact CA-SG 3.45Å; C74-C121 HydrophobicContact CB-CB 3.73Å; C74-C121 WeakPolarHBondContact CB-SG 3.35Å; C74-C121 WeakPolarHBondContact SG-CA 3.47Å; C74-C121 WeakPolarHBondContact SG-CB 3.35Å; C74-C121 CovalentContact SG-SG 2.04Å; C74-C121 PolarHBondContact SG-SG 3.34Å
75N93.8Very high95.1Very high64 Ų6482 Ų8234%0.34243%0.432SS..  trans-101.9107.6177.5-172.4-25.7000110.1Q72 T77 Y78 F79Q72-N75 PolarHBondContact O-N 3.01Å; N75-T77 PolarHBondContact O-N 2.79Å; N75-T77 WeakPolarHBondContact OD1-CB 3.28Å; N75-T77 PolarHBondContact OD1-N 3.44Å; N75-T77 VanDerWaalsContact OD1-N 3.14Å; N75-T77 PolarHBondContact OD1-OG1 3.39Å; N75-Y78 HydrophobicContact CB-CD2 3.76Å; N75-Y78 HydrophobicContact CB-CE2 4.34Å; N75-Y78 WeakPolarHBondContact ND2-CE2 3.4Å; N75-Y78 PolarHBondContact O-N 2.85Å; N75-F79 VanDerWaalsContact O-CD1 3.31Å; N75-F79 WeakPolarHBondContact O-CD1 3.2Å
76L92.5Very high95.2Very high105 Ų10582.2 Ų82.255%0.5543%0.433SS..Hα-helixtrans-50.5-37.7-177-176.662.3000112.7Y78 F79 M80L76-Y78 PolarHBondContact O-N 2.97Å; L76-Y78 VanDerWaalsContact O-N 3.14Å; L76-F79 HydrophobicContact CB-CE1 4.47Å; L76-F79 HydrophobicContact CD1-CE1 4.25Å; L76-F79 HydrophobicContact CD1-CE2 4.1Å; L76-F79 HydrophobicContact CD1-CZ 3.75Å; L76-F79 PolarHBondContact O-N 3.41Å; L76-M80 HydrophobicContact CD1-CB 4.22Å; L76-M80 HydrophobicContact CG-CB 4.36Å; L76-M80 WeakPolarHBondContact O-CB 3.41Å; L76-M80 PolarHBondContact O-N 2.93Å
77T94.8Very high95.4Very high120 Ų12079.6 Ų79.674%0.73641%0.408SS*.Hα-helixtrans-58.9-29.9-177.8-54.50000113.3N75N75-T77 PolarHBondContact O-N 2.79Å; N75-T77 WeakPolarHBondContact OD1-CB 3.28Å; N75-T77 PolarHBondContact OD1-N 3.44Å; N75-T77 VanDerWaalsContact OD1-N 3.14Å; N75-T77 PolarHBondContact OD1-OG1 3.39Å
78Y94.9Very high95.6Very high131 Ų13175.5 Ų75.551%0.51439%0.391SS..Hα-helixtrans-86.2-27-174.5-74.4-92.5000113.9Q72 N75 L76Q72-Y78 HydrophobicContact CB-CD1 4.21Å; Q72-Y78 HydrophobicContact CB-CD2 4.12Å; Q72-Y78 HydrophobicContact CB-CG 3.84Å; Q72-Y78 HydrophobicContact CG-CD1 4.18Å; Q72-Y78 HydrophobicContact CG-CD2 4.35Å; Q72-Y78 HydrophobicContact CG-CE1 4.29Å; Q72-Y78 HydrophobicContact CG-CE2 4.44Å; Q72-Y78 HydrophobicContact CG-CG 4.2Å; Q72-Y78 VanDerWaalsContact OE1-CE2 3.24Å; N75-Y78 HydrophobicContact CB-CD2 3.76Å; N75-Y78 HydrophobicContact CB-CE2 4.34Å; N75-Y78 WeakPolarHBondContact ND2-CE2 3.4Å; N75-Y78 PolarHBondContact O-N 2.85Å; L76-Y78 PolarHBondContact O-N 2.97Å; L76-Y78 VanDerWaalsContact O-N 3.14Å
79F95.3Very high95.8Very high21 Ų2176.5 Ų76.59%0.09240%0.399CS..Hα-helixtrans-116.9-4.6-176.677.2-94000114M65 W73 N75 L76 S81 E82 Y83 F118M65-F79 HydrophobicContact CE-CB 4.16Å; M65-F79 HydrophobicContact SD-CB 3.79Å; W73-F79 WeakPolarHBondContact O-CD1 3.04Å; W73-F79 WeakPolarHBondContact O-CE1 3.33Å; N75-F79 VanDerWaalsContact O-CD1 3.31Å; N75-F79 WeakPolarHBondContact O-CD1 3.2Å; L76-F79 HydrophobicContact CB-CE1 4.47Å; L76-F79 HydrophobicContact CD1-CE1 4.25Å; L76-F79 HydrophobicContact CD1-CE2 4.1Å; L76-F79 HydrophobicContact CD1-CZ 3.75Å; L76-F79 PolarHBondContact O-N 3.41Å; F79-S81 PolarHBondContact O-N 3.26Å; F79-E82 PolarHBondContact O-N 3.28Å; F79-E82 VanDerWaalsContact O-N 3.16Å; F79-Y83 HydrophobicContact CD2-CG 4.48Å; F79-Y83 HydrophobicContact CE2-CD2 4.36Å; F79-Y83 HydrophobicContact CE2-CG 4.35Å; F79-Y83 WeakPolarHBondContact O-CB 3.48Å; F79-Y83 PolarHBondContact O-N 3.33Å; F79-F118 HydrophobicContact CD1-CE1 4.09Å; F79-F118 HydrophobicContact CD1-CZ 4.46Å; F79-F118 HydrophobicContact CD2-CE1 4.06Å; F79-F118 AromaticContact CD2-CZ 3.6Å; F79-F118 HydrophobicContact CD2-CZ 3.6Å; F79-F118 AromaticContact CE1-CE1 3.96Å; F79-F118 HydrophobicContact CE1-CE1 3.96Å; F79-F118 HydrophobicContact CE1-CZ 4.34Å; F79-F118 AromaticContact CE2-CE1 3.97Å; F79-F118 HydrophobicContact CE2-CE1 3.97Å; F79-F118 HydrophobicContact CE2-CE2 4.07Å; F79-F118 AromaticContact CE2-CZ 3.5Å; F79-F118 HydrophobicContact CE2-CZ 3.5Å; F79-F118 HydrophobicContact CG-CE1 4.14Å; F79-F118 HydrophobicContact CG-CZ 4.11Å; F79-F118 AromaticContact CZ-CE1 3.92Å; F79-F118 HydrophobicContact CZ-CE1 3.92Å; F79-F118 HydrophobicContact CZ-CE2 4.47Å; F79-F118 AromaticContact CZ-CZ 3.9Å; F79-F118 HydrophobicContact CZ-CZ 3.9Å
80M96.2Very high96Very high123 Ų12372.3 Ų72.361%0.60638%0.376SS*.Hα-helixtrans-55.7-37.9-178.2179.9176.7-173.600112.8L76 H84L76-M80 HydrophobicContact CD1-CB 4.22Å; L76-M80 HydrophobicContact CG-CB 4.36Å; L76-M80 WeakPolarHBondContact O-CB 3.41Å; L76-M80 PolarHBondContact O-N 2.93Å; M80-H84 VanDerWaalsContact O-CB 3.3Å; M80-H84 WeakPolarHBondContact O-CB 3.34Å; M80-H84 PolarHBondContact O-N 2.8Å
81S96.8Very high96.2Very high76 Ų7671.9 Ų71.953%0.53137%0.367SS..Hα-helixtrans-64.5-50.7176.9-174.70000111.7F79 Y83 H84 L85F79-S81 PolarHBondContact O-N 3.26Å; S81-Y83 VanDerWaalsContact C-N 3.32Å; S81-Y83 PolarHBondContact O-N 3.45Å; S81-H84 WeakPolarHBondContact O-CB 3.06Å; S81-H84 PolarHBondContact O-N 3.27Å; S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 3.38Å
82E97.3Very high96.4Very high45 Ų4568 Ų6821%0.2135%0.354CS..Hα-helixtrans-64.7-38.8-179.6-50-46.3151.200111.8F61 D64 M65 V68 F79 H84 L85 F86F61-E82 HydrophobicContact CD2-CB 4.34Å; F61-E82 HydrophobicContact CE2-CB 4.09Å; D64-E82 HydrophobicContact CB-CB 4.16Å; D64-E82 HydrophobicContact CB-CG 4.11Å; D64-E82 WeakPolarHBondContact CB-OE2 3.25Å; M65-E82 HydrophobicContact SD-CB 4.43Å; V68-E82 HydrophobicContact CG2-CG 4.37Å; F79-E82 PolarHBondContact O-N 3.28Å; F79-E82 VanDerWaalsContact O-N 3.16Å; E82-H84 VanDerWaalsContact C-N 3.34Å; E82-H84 PolarHBondContact O-N 3.07Å; E82-L85 PolarHBondContact O-N 2.91Å; E82-F86 PolarHBondContact O-N 2.92Å
83Y97.4Very high96.5Very high50 Ų5068.2 Ų68.220%0.19635%0.354CS..Hα-helixtrans-67-37.2175.8-165.3-93.1000112F61 F79 S81 F86 T87 I110 H114 F118F61-Y83 HydrophobicContact CE2-CD2 4.23Å; F61-Y83 HydrophobicContact CZ-CD2 4.12Å; F79-Y83 HydrophobicContact CD2-CG 4.48Å; F79-Y83 HydrophobicContact CE2-CD2 4.36Å; F79-Y83 HydrophobicContact CE2-CG 4.35Å; F79-Y83 WeakPolarHBondContact O-CB 3.48Å; F79-Y83 PolarHBondContact O-N 3.33Å; S81-Y83 VanDerWaalsContact C-N 3.32Å; S81-Y83 PolarHBondContact O-N 3.45Å; Y83-F86 HydrophobicContact CD2-CD1 4.29Å; Y83-F86 HydrophobicContact CE2-CD1 4.18Å; Y83-F86 HydrophobicContact CE2-CE1 4.44Å; Y83-F86 WeakPolarHBondContact O-CB 3.41Å; Y83-F86 PolarHBondContact O-N 3.37Å; Y83-T87 HydrophobicContact CD1-CG2 3.92Å; Y83-T87 HydrophobicContact CE1-CG2 3.58Å; Y83-T87 WeakPolarHBondContact O-CG2 3.45Å; Y83-T87 PolarHBondContact O-N 3.07Å; Y83-T87 PolarHBondContact O-OG1 2.93Å; Y83-I110 WeakPolarHBondContact OH-CG2 3.44Å; Y83-H114 AromaticContact CE2-NE2 3.61Å; Y83-H114 AromaticContact CZ-NE2 3.53Å; Y83-H114 PolarHBondContact OH-NE2 3.24Å; Y83-F118 HydrophobicContact CD2-CE2 4.48Å
84H98.1Very high96.6Very high112 Ų11265.1 Ų65.152%0.51934%0.343SS..Hα-helixtrans-61.1-46.8173.3177.258.3000111.2M80 S81 E82 F86 T87 L88M80-H84 VanDerWaalsContact O-CB 3.3Å; M80-H84 WeakPolarHBondContact O-CB 3.34Å; M80-H84 PolarHBondContact O-N 2.8Å; S81-H84 WeakPolarHBondContact O-CB 3.06Å; S81-H84 PolarHBondContact O-N 3.27Å; E82-H84 VanDerWaalsContact C-N 3.34Å; E82-H84 PolarHBondContact O-N 3.07Å; H84-F86 VanDerWaalsContact C-N 3.32Å; H84-F86 PolarHBondContact O-N 3.44Å; H84-T87 PolarHBondContact O-N 3.35Å; H84-T87 PolarHBondContact O-OG1 3.14Å; H84-L88 WeakPolarHBondContact O-CB 3.28Å; H84-L88 PolarHBondContact O-N 3.01Å
85L98Very high96.6Very high83 Ų8366.3 Ų66.344%0.43534%0.34SS..Hα-helixtrans-59.2-42.9175.6-67.1176.8000112.1S81 E82 L88 C89S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 3.38Å; E82-L85 PolarHBondContact O-N 2.91Å; L85-L88 PolarHBondContact O-N 3.1Å; L85-C89 WeakPolarHBondContact O-CB 3.27Å; L85-C89 PolarHBondContact O-N 3Å
86F98.2Very high96.6Very high5 Ų566.8 Ų66.82%0.02235%0.349CS..Hα-helixtrans-59.2-50.4174.3168.3-116.9000112.3C57 F61 E82 Y83 H84 L88 C89 T90 Y109 I110 I113C57-F86 HydrophobicContact CB-CD2 4.24Å; C57-F86 HydrophobicContact CB-CE2 4.35Å; F61-F86 HydrophobicContact CB-CB 3.98Å; F61-F86 HydrophobicContact CB-CD2 3.86Å; F61-F86 HydrophobicContact CB-CG 4.06Å; F61-F86 HydrophobicContact CD2-CB 3.56Å; F61-F86 HydrophobicContact CD2-CG 4.09Å; F61-F86 HydrophobicContact CE2-CB 4.3Å; F61-F86 HydrophobicContact CG-CB 3.91Å; F61-F86 HydrophobicContact CG-CD2 4.25Å; F61-F86 HydrophobicContact CG-CG 4.01Å; E82-F86 PolarHBondContact O-N 2.92Å; Y83-F86 HydrophobicContact CD2-CD1 4.29Å; Y83-F86 HydrophobicContact CE2-CD1 4.18Å; Y83-F86 HydrophobicContact CE2-CE1 4.44Å; Y83-F86 WeakPolarHBondContact O-CB 3.41Å; Y83-F86 PolarHBondContact O-N 3.37Å; H84-F86 VanDerWaalsContact C-N 3.32Å; H84-F86 PolarHBondContact O-N 3.44Å; F86-L88 PolarHBondContact O-N 3.26Å; F86-C89 WeakPolarHBondContact O-CB 3.44Å; F86-C89 PolarHBondContact O-N 2.91Å; F86-T90 HydrophobicContact CD2-CG2 4.15Å; F86-T90 HydrophobicContact CE2-CG2 3.69Å; F86-T90 HydrophobicContact CZ-CG2 4.02Å; F86-T90 WeakPolarHBondContact O-CG2 3.24Å; F86-T90 PolarHBondContact O-N 2.98Å; F86-Y109 HydrophobicContact CE2-CD1 4.26Å; F86-Y109 HydrophobicContact CE2-CE1 4.09Å; F86-Y109 HydrophobicContact CZ-CD1 4.03Å; F86-Y109 HydrophobicContact CZ-CE1 4.23Å; F86-I110 HydrophobicContact CE1-CG1 3.92Å; F86-I110 HydrophobicContact CZ-CG1 4.1Å; F86-I113 HydrophobicContact CE1-CG1 4.46Å; F86-I113 HydrophobicContact CZ-CG1 4Å
87T98.1Very high96.7Very high27 Ų2762.5 Ų62.517%0.16633%0.327CS..Hα-helixtrans-61.9-44.6179.155.60000112Y83 H84 C89 T90 E91Y83-T87 HydrophobicContact CD1-CG2 3.92Å; Y83-T87 HydrophobicContact CE1-CG2 3.58Å; Y83-T87 WeakPolarHBondContact O-CG2 3.45Å; Y83-T87 PolarHBondContact O-N 3.07Å; Y83-T87 PolarHBondContact O-OG1 2.93Å; H84-T87 PolarHBondContact O-N 3.35Å; H84-T87 PolarHBondContact O-OG1 3.14Å; T87-C89 VanDerWaalsContact C-N 3.32Å; T87-C89 PolarHBondContact O-N 2.96Å; T87-T90 PolarHBondContact O-N 3.46Å; T87-T90 VanDerWaalsContact O-N 3.17Å; T87-T90 PolarHBondContact O-OG1 3.06Å; T87-E91 WeakPolarHBondContact O-CB 3.42Å; T87-E91 PolarHBondContact O-N 3.38Å
88L98.4Very high96.6Very high74 Ų7460.7 Ų60.739%0.38731%0.312SS..Hα-helixtrans-61.1-39.3176.1-176.567.5000112.1H84 L85 F86 T92H84-L88 WeakPolarHBondContact O-CB 3.28Å; H84-L88 PolarHBondContact O-N 3.01Å; L85-L88 PolarHBondContact O-N 3.1Å; F86-L88 PolarHBondContact O-N 3.26Å; L88-T92 VanDerWaalsContact O-CB 3.31Å; L88-T92 WeakPolarHBondContact O-CB 3.48Å; L88-T92 PolarHBondContact O-N 3.42Å; L88-T92 PolarHBondContact O-OG1 3.48Å
89C98.4Very high96.5Very high36 Ų3654.7 Ų54.724%0.24329%0.289CS..Hα-helixtrans-60.5-51.4173.3-175.80000110.4C57 L85 F86 T87 E91 T92 K93C57-C89 VanDerWaalsContact CA-SG 3.53Å; C57-C89 HydrophobicContact CB-CB 3.75Å; C57-C89 WeakPolarHBondContact CB-SG 3.31Å; C57-C89 WeakPolarHBondContact SG-CB 3.43Å; C57-C89 CovalentContact SG-SG 2.04Å; C57-C89 PolarHBondContact SG-SG 3.25Å; L85-C89 WeakPolarHBondContact O-CB 3.27Å; L85-C89 PolarHBondContact O-N 3Å; F86-C89 WeakPolarHBondContact O-CB 3.44Å; F86-C89 PolarHBondContact O-N 2.91Å; T87-C89 VanDerWaalsContact C-N 3.32Å; T87-C89 PolarHBondContact O-N 2.96Å; C89-E91 VanDerWaalsContact C-N 3.31Å; C89-E91 PolarHBondContact O-N 3.15Å; C89-T92 PolarHBondContact O-N 2.9Å; C89-K93 VanDerWaalsContact O-CB 3.3Å; C89-K93 WeakPolarHBondContact O-CB 3.12Å; C89-K93 VanDerWaalsContact O-CG 3.24Å; C89-K93 WeakPolarHBondContact O-CG 3.42Å; C89-K93 PolarHBondContact O-N 2.72Å
90T98.1Very high96.4Very high0 Ų061.9 Ų61.90%032%0.317CS..Hα-helixtrans-63.2-36-17964.50000113.1V54 C57 F86 T87 S94 W101V54-T90 HydrophobicContact CG1-CG2 4.39Å; C57-T90 HydrophobicContact CB-CG2 4.02Å; F86-T90 HydrophobicContact CD2-CG2 4.15Å; F86-T90 HydrophobicContact CE2-CG2 3.69Å; F86-T90 HydrophobicContact CZ-CG2 4.02Å; F86-T90 WeakPolarHBondContact O-CG2 3.24Å; F86-T90 PolarHBondContact O-N 2.98Å; T87-T90 PolarHBondContact O-N 3.46Å; T87-T90 VanDerWaalsContact O-N 3.17Å; T87-T90 PolarHBondContact O-OG1 3.06Å; T90-S94 VanDerWaalsContact O-CB 3.3Å; T90-S94 WeakPolarHBondContact O-CB 3.34Å; T90-S94 PolarHBondContact O-N 3.07Å; T90-S94 PolarHBondContact O-OG 3.44Å; T90-W101 PolarHBondContact OG1-NE1 3.1Å
91E98.2Very high96.4Very high74 Ų7459.3 Ų59.335%0.34630%0.301SS..Hα-helixtrans-63.9-54.6174-178.5179.5-167.500110.6T87 C89 K93 S94 H95 W101T87-E91 WeakPolarHBondContact O-CB 3.42Å; T87-E91 PolarHBondContact O-N 3.38Å; C89-E91 VanDerWaalsContact C-N 3.31Å; C89-E91 PolarHBondContact O-N 3.15Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.42Å; E91-S94 WeakPolarHBondContact O-CB 3.41Å; E91-S94 PolarHBondContact O-N 3.28Å; E91-S94 VanDerWaalsContact O-N 3.16Å; E91-H95 PolarHBondContact O-CD2 2.96Å; E91-H95 PolarHBondContact O-N 3.3Å; E91-W101 VanDerWaalsContact CA-CD1 3.42Å; E91-W101 HydrophobicContact CB-CD2 3.95Å; E91-W101 HydrophobicContact CB-CE3 4.49Å; E91-W101 HydrophobicContact CB-CG 3.99Å; E91-W101 HydrophobicContact CG-CB 4.36Å; E91-W101 HydrophobicContact CG-CD2 4.12Å; E91-W101 HydrophobicContact CG-CE3 4.29Å; E91-W101 HydrophobicContact CG-CG 4.16Å
92T97.9Very high96.3Very high82 Ų8259 Ų5950%0.50330%0.297SS..Hα-helixtrans-58.3-43.5179.5-57.80000111.6L88 C89 H95 S96L88-T92 VanDerWaalsContact O-CB 3.31Å; L88-T92 WeakPolarHBondContact O-CB 3.48Å; L88-T92 PolarHBondContact O-N 3.42Å; L88-T92 PolarHBondContact O-OG1 3.48Å; C89-T92 PolarHBondContact O-N 2.9Å; T92-H95 PolarHBondContact O-N 3.22Å; T92-S96 WeakPolarHBondContact O-CB 3.23Å; T92-S96 PolarHBondContact O-N 3.37Å
93K96.8Very high96.2Very high61 Ų6157.9 Ų57.927%0.26529%0.293SS..Hα-helixtrans-64.9-43.1177.6-73.7-51.2-168.2158.40112.3E53 C57 C89 E91 H95 S96 V97E53-K93 HydrophobicContact CB-CB 3.83Å; E53-K93 HydrophobicContact CB-CD 4.07Å; E53-K93 HydrophobicContact CB-CG 3.99Å; E53-K93 HydrophobicContact CG-CD 4.47Å; E53-K93 VanDerWaalsContact OE2-CD 3.29Å; E53-K93 WeakPolarHBondContact OE2-CD 2.99Å; E53-K93 VanDerWaalsContact OE2-CE 3.28Å; E53-K93 WeakPolarHBondContact OE2-CE 3.31Å; E53-K93 IonicContact OE2-NZ 2.71Å; E53-K93 PolarHBondContact OE2-NZ 3.23Å; C57-K93 VanDerWaalsContact SG-CG 3.53Å; C89-K93 VanDerWaalsContact O-CB 3.3Å; C89-K93 WeakPolarHBondContact O-CB 3.12Å; C89-K93 VanDerWaalsContact O-CG 3.24Å; C89-K93 WeakPolarHBondContact O-CG 3.42Å; C89-K93 PolarHBondContact O-N 2.72Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.42Å; K93-H95 VanDerWaalsContact C-N 3.35Å; K93-H95 PolarHBondContact O-N 3.16Å; K93-S96 WeakPolarHBondContact CA-OG 3.21Å; K93-S96 PolarHBondContact O-N 3.17Å; K93-S96 VanDerWaalsContact O-N 3.15Å; K93-S96 PolarHBondContact O-OG 2.86Å; K93-V97 WeakPolarHBondContact O-CG2 3.4Å; K93-V97 PolarHBondContact O-N 3.3Å
94S96Very high96.1Very high0 Ų060.4 Ų60.40%032%0.315CS..Hα-helixtrans-58.5-48175.9-61.30000111.1T90 E91 S96 V97 D98 C99T90-S94 VanDerWaalsContact O-CB 3.3Å; T90-S94 WeakPolarHBondContact O-CB 3.34Å; T90-S94 PolarHBondContact O-N 3.07Å; T90-S94 PolarHBondContact O-OG 3.44Å; E91-S94 WeakPolarHBondContact O-CB 3.41Å; E91-S94 PolarHBondContact O-N 3.28Å; E91-S94 VanDerWaalsContact O-N 3.16Å; S94-S96 VanDerWaalsContact C-N 3.32Å; S94-S96 PolarHBondContact O-N 3.14Å; S94-V97 WeakPolarHBondContact O-CG2 3.45Å; S94-V97 PolarHBondContact O-N 2.92Å; S94-D98 PolarHBondContact O-N 3.23Å; S94-C99 CarbonylContact C-O 3.22Å; S94-C99 PolarHBondContact O-N 3Å
95H94.4Very high96Very high104 Ų10456.5 Ų56.548%0.48130%0.298SS..Hα-helixtrans-61.6-37.9175.6-76.7-66.7000112.9E91 T92 K93 V97 D98E91-H95 PolarHBondContact O-CD2 2.96Å; E91-H95 PolarHBondContact O-N 3.3Å; T92-H95 PolarHBondContact O-N 3.22Å; K93-H95 VanDerWaalsContact C-N 3.35Å; K93-H95 PolarHBondContact O-N 3.16Å; H95-V97 VanDerWaalsContact C-N 3.25Å; H95-V97 PolarHBondContact O-N 3.16Å; H95-D98 PolarHBondContact O-N 3.24Å; H95-D98 VanDerWaalsContact O-N 3.14Å
96S93.9Very high96Very high74 Ų7452.5 Ų52.552%0.51728%0.277SS..Hα-helixtrans-65.7-25-179.978.40000114.3T92 K93 S94T92-S96 WeakPolarHBondContact O-CB 3.23Å; T92-S96 PolarHBondContact O-N 3.37Å; K93-S96 WeakPolarHBondContact CA-OG 3.21Å; K93-S96 PolarHBondContact O-N 3.17Å; K93-S96 VanDerWaalsContact O-N 3.15Å; K93-S96 PolarHBondContact O-OG 2.86Å; S94-S96 VanDerWaalsContact C-N 3.32Å; S94-S96 PolarHBondContact O-N 3.14Å
97V93.7Very high96Very high15 Ų1557.8 Ų57.89%0.09130%0.302CS..THydrogen-bonded Turntrans-103.818.1176.4-61.70000112.6R49 L50 E53 K93 S94 H95 C99R49-V97 HydrophobicContact CG-CG1 3.93Å; L50-V97 HydrophobicContact CB-CG2 4.09Å; L50-V97 HydrophobicContact CD1-CG2 3.77Å; L50-V97 HydrophobicContact CG-CG2 4.5Å; E53-V97 HydrophobicContact CG-CG1 4.03Å; K93-V97 WeakPolarHBondContact O-CG2 3.4Å; K93-V97 PolarHBondContact O-N 3.3Å; S94-V97 WeakPolarHBondContact O-CG2 3.45Å; S94-V97 PolarHBondContact O-N 2.92Å; H95-V97 VanDerWaalsContact C-N 3.25Å; H95-V97 PolarHBondContact O-N 3.16Å; V97-C99 HydrophobicContact CG2-CB 4.06Å; V97-C99 WeakPolarHBondContact CG2-SG 3.39Å; V97-C99 PolarHBondContact O-N 3.42Å
98D91.9Very high95.9Very high81 Ų8160 Ų6043%0.43332%0.318SS..THydrogen-bonded Turntrans59.728.2179.4-68.3-49000114.3R43 S94 H95R43-D98 HydrophobicContact CB-CB 4.07Å; R43-D98 VanDerWaalsContact CD-CB 3.5Å; R43-D98 WeakPolarHBondContact CD-OD1 3.21Å; R43-D98 WeakPolarHBondContact CD-OD2 3.46Å; R43-D98 HydrophobicContact CG-CB 4.39Å; R43-D98 IonicContact CZ-OD1 3.5Å; R43-D98 IonicContact CZ-OD2 3.91Å; R43-D98 IonicContact NE-OD1 3.76Å; R43-D98 IonicContact NH1-OD1 2.76Å; R43-D98 PolarHBondContact NH1-OD1 3.03Å; R43-D98 IonicContact NH1-OD2 2.95Å; R43-D98 PolarHBondContact NH1-OD2 3.18Å; S94-D98 PolarHBondContact O-N 3.23Å; H95-D98 PolarHBondContact O-N 3.24Å; H95-D98 VanDerWaalsContact O-N 3.14Å
99C93.6Very high95.9Very high5 Ų558.3 Ų58.33%0.03431%0.307CS..  trans-100.3143.7174-58.10000110.2C45 L50 S94 V97C45-C99 VanDerWaalsContact CA-SG 3.51Å; C45-C99 HydrophobicContact CB-CB 3.93Å; C45-C99 WeakPolarHBondContact CB-SG 3.33Å; C45-C99 WeakPolarHBondContact SG-CB 3.34Å; C45-C99 CovalentContact SG-SG 2.02Å; C45-C99 PolarHBondContact SG-SG 3.48Å; L50-C99 HydrophobicContact CD1-CB 4.47Å; L50-C99 HydrophobicContact CD2-CB 4.07Å; S94-C99 CarbonylContact C-O 3.22Å; S94-C99 PolarHBondContact O-N 3Å; V97-C99 HydrophobicContact CG2-CB 4.06Å; V97-C99 WeakPolarHBondContact CG2-SG 3.39Å; V97-C99 PolarHBondContact O-N 3.42Å
100Y93.4Very high95.9Very high172 Ų17258 Ų5868%0.67530%0.303SS*.  trans-70.8149.1171.6173.9-102.9000110.8P102 N103Y100-P102 WeakPolarHBondContact CD1-O 3.16Å; Y100-P102 HydrophobicContact CE1-CG 4.48Å; Y100-P102 WeakPolarHBondContact CE1-O 3.38Å; Y100-N103 WeakPolarHBondContact O-CB 3.34Å; Y100-N103 PolarHBondContact O-ND2 3.21Å
101W95.5Very high95.8Very high69 Ų6961.8 Ų61.826%0.26132%0.322SS..SBendtrans-121.8132.7171.4-171.398000108.9T90 E91T90-W101 PolarHBondContact OG1-NE1 3.1Å; E91-W101 VanDerWaalsContact CA-CD1 3.42Å; E91-W101 HydrophobicContact CB-CD2 3.95Å; E91-W101 HydrophobicContact CB-CE3 4.49Å; E91-W101 HydrophobicContact CB-CG 3.99Å; E91-W101 HydrophobicContact CG-CB 4.36Å; E91-W101 HydrophobicContact CG-CD2 4.12Å; E91-W101 HydrophobicContact CG-CE3 4.29Å; E91-W101 HydrophobicContact CG-CG 4.16Å
102P95.3Very high95.8Very high69 Ų6963.3 Ų63.345%0.44833%0.329SS..SBendcis-74.9161-331.8-36.1000112.9Y100Y100-P102 WeakPolarHBondContact CD1-O 3.16Å; Y100-P102 HydrophobicContact CE1-CG 4.48Å; Y100-P102 WeakPolarHBondContact CE1-O 3.38Å
103N94.2Very high95.8Very high23 Ų2359.4 Ų59.412%0.12331%0.305CS..  trans-141.1161.4173.263.171.8000110.9Y100 L105 V106 E107Y100-N103 WeakPolarHBondContact O-CB 3.34Å; Y100-N103 PolarHBondContact O-ND2 3.21Å; N103-L105 PolarHBondContact O-N 2.93Å; N103-L105 VanDerWaalsContact O-N 3.16Å; N103-L105 WeakPolarHBondContact OD1-CB 3.48Å; N103-L105 PolarHBondContact OD1-N 2.9Å; N103-L105 VanDerWaalsContact OD1-N 3.17Å; N103-V106 VanDerWaalsContact ND2-CG2 3.32Å; N103-V106 WeakPolarHBondContact ND2-CG2 3.42Å; N103-V106 PolarHBondContact O-N 2.93Å; N103-V106 VanDerWaalsContact O-N 3.13Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.38Å; N103-V106 PolarHBondContact OD1-N 3.43Å; N103-E107 WeakPolarHBondContact O-CB 3.48Å; N103-E107 PolarHBondContact O-N 2.95Å
104P95.9Very high95.8Very high103 Ų10360.1 Ų60.167%0.66931%0.309SS*.Hα-helixtrans-59.2-30.9-174.7-2735.8000114.5S108P104-S108 WeakPolarHBondContact O-CB 3.25Å; P104-S108 PolarHBondContact O-N 3.33Å; P104-S108 PolarHBondContact O-OG 3.25Å
105L96.5Very high95.8Very high29 Ų2967.1 Ų67.115%0.15234%0.339CS..Hα-helixtrans-68.5-49.7177.2179.5162.1000110.4E47 L50 R51 V54 N103 S108 Y109E47-L105 HydrophobicContact CB-CD1 4.26Å; E47-L105 WeakPolarHBondContact O-CD1 3.34Å; L50-L105 HydrophobicContact CB-CD1 4.47Å; L50-L105 HydrophobicContact CD2-CB 4.39Å; L50-L105 HydrophobicContact CD2-CD1 4.28Å; L50-L105 HydrophobicContact CD2-CD2 4.13Å; L50-L105 HydrophobicContact CG-CD1 4.41Å; L50-L105 HydrophobicContact CG-CD2 3.98Å; R51-L105 HydrophobicContact CB-CD1 4.06Å; V54-L105 HydrophobicContact CB-CD2 4.39Å; V54-L105 HydrophobicContact CG2-CD2 4.1Å; N103-L105 PolarHBondContact O-N 2.93Å; N103-L105 VanDerWaalsContact O-N 3.16Å; N103-L105 WeakPolarHBondContact OD1-CB 3.48Å; N103-L105 PolarHBondContact OD1-N 2.9Å; N103-L105 VanDerWaalsContact OD1-N 3.17Å; L105-S108 PolarHBondContact O-N 3.5Å; L105-S108 PolarHBondContact O-OG 2.91Å; L105-Y109 PolarHBondContact O-N 3.34Å; L105-Y109 VanDerWaalsContact O-N 3.13Å
106V97.4Very high95.8Very high0 Ų067.3 Ų67.30%034%0.34CS..Hα-helixtrans-61.8-44.2175.7173.30000110.9V54 N103 S108 Y109 I110V54-V106 HydrophobicContact CG2-CG2 3.68Å; N103-V106 VanDerWaalsContact ND2-CG2 3.32Å; N103-V106 WeakPolarHBondContact ND2-CG2 3.42Å; N103-V106 PolarHBondContact O-N 2.93Å; N103-V106 VanDerWaalsContact O-N 3.13Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.38Å; N103-V106 PolarHBondContact OD1-N 3.43Å; V106-S108 PolarHBondContact O-N 3.41Å; V106-Y109 WeakPolarHBondContact O-CB 3.3Å; V106-Y109 PolarHBondContact O-N 2.68Å; V106-Y109 VanDerWaalsContact O-N 3.13Å; V106-I110 HydrophobicContact CG1-CD1 3.74Å; V106-I110 HydrophobicContact CG1-CG1 4.23Å; V106-I110 WeakPolarHBondContact O-CG1 3.5Å; V106-I110 PolarHBondContact O-N 3.27Å
107E97.6Very high95.9Very high116 Ų11664.5 Ų64.554%0.54232%0.319SS..Hα-helixtrans-57.1-48.6177-177.9-178.6-170.600111.5N103 Y109 I110 I111N103-E107 WeakPolarHBondContact O-CB 3.48Å; N103-E107 PolarHBondContact O-N 2.95Å; E107-Y109 PolarHBondContact O-N 3.13Å; E107-I110 PolarHBondContact O-N 3.13Å; E107-I111 HydrophobicContact CG-CD1 4.13Å; E107-I111 WeakPolarHBondContact O-CG1 3.42Å; E107-I111 PolarHBondContact O-N 3.24Å
108S97.8Very high96Very high72 Ų7264.9 Ų64.950%0.50332%0.319SS..Hα-helixtrans-60.1-35.2177.775.30000112.6P104 L105 V106 H112P104-S108 WeakPolarHBondContact O-CB 3.25Å; P104-S108 PolarHBondContact O-N 3.33Å; P104-S108 PolarHBondContact O-OG 3.25Å; L105-S108 PolarHBondContact O-N 3.5Å; L105-S108 PolarHBondContact O-OG 2.91Å; V106-S108 PolarHBondContact O-N 3.41Å; S108-H112 PolarHBondContact O-N 3.45Å; S108-H112 VanDerWaalsContact O-N 3.1Å
109Y97.4Very high96.1Very high40 Ų4064.7 Ų64.716%0.15732%0.324CS..Hα-helixtrans-73.4-42.3178.1-166-93.4000112.1V54 G58 F86 L105 V106 E107 I111 H112 I113V54-Y109 HydrophobicContact CG1-CD1 3.37Å; V54-Y109 HydrophobicContact CG1-CD2 4.01Å; V54-Y109 HydrophobicContact CG1-CE1 3.95Å; V54-Y109 HydrophobicContact CG1-CG 3.4Å; V54-Y109 VanDerWaalsContact CG1-CG 3.4Å; G58-Y109 WeakPolarHBondContact CA-OH 3.4Å; F86-Y109 HydrophobicContact CE2-CD1 4.26Å; F86-Y109 HydrophobicContact CE2-CE1 4.09Å; F86-Y109 HydrophobicContact CZ-CD1 4.03Å; F86-Y109 HydrophobicContact CZ-CE1 4.23Å; L105-Y109 PolarHBondContact O-N 3.34Å; L105-Y109 VanDerWaalsContact O-N 3.13Å; V106-Y109 WeakPolarHBondContact O-CB 3.3Å; V106-Y109 PolarHBondContact O-N 2.68Å; V106-Y109 VanDerWaalsContact O-N 3.13Å; E107-Y109 PolarHBondContact O-N 3.13Å; Y109-I111 VanDerWaalsContact C-N 3.3Å; Y109-I111 PolarHBondContact O-N 2.86Å; Y109-H112 WeakPolarHBondContact O-CA 3.3Å; Y109-H112 WeakPolarHBondContact O-CB 3.43Å; Y109-H112 PolarHBondContact O-N 2.74Å; Y109-I113 HydrophobicContact CD1-CG1 4.08Å; Y109-I113 HydrophobicContact CE1-CD1 4.05Å; Y109-I113 HydrophobicContact CE1-CG1 3.84Å; Y109-I113 PolarHBondContact O-N 2.97Å
110I97.8Very high96.1Very high30 Ų3071.8 Ų71.815%0.15436%0.362CS..Hα-helixtrans-57.4-46.3173.1-68.9170.1000109.6Y83 F86 V106 E107 H112 I113 H114Y83-I110 WeakPolarHBondContact OH-CG2 3.44Å; F86-I110 HydrophobicContact CE1-CG1 3.92Å; F86-I110 HydrophobicContact CZ-CG1 4.1Å; V106-I110 HydrophobicContact CG1-CD1 3.74Å; V106-I110 HydrophobicContact CG1-CG1 4.23Å; V106-I110 WeakPolarHBondContact O-CG1 3.5Å; V106-I110 PolarHBondContact O-N 3.27Å; E107-I110 PolarHBondContact O-N 3.13Å; I110-H112 VanDerWaalsContact C-N 3.26Å; I110-H112 PolarHBondContact O-N 3.4Å; I110-I113 WeakPolarHBondContact O-CB 3.29Å; I110-I113 PolarHBondContact O-N 3.38Å; I110-I113 VanDerWaalsContact O-N 3.15Å; I110-H114 PolarHBondContact O-CD2 2.81Å; I110-H114 VanDerWaalsContact O-CD2 3.25Å; I110-H114 PolarHBondContact O-N 2.87Å
111I97.6Very high96Very high78 Ų7865.4 Ų65.440%0.434%0.342SS..Hα-helixtrans-59-38.2175.9-67.2165.9000111.5E107 Y109 H114 K115E107-I111 HydrophobicContact CG-CD1 4.13Å; E107-I111 WeakPolarHBondContact O-CG1 3.42Å; E107-I111 PolarHBondContact O-N 3.24Å; Y109-I111 VanDerWaalsContact C-N 3.3Å; Y109-I111 PolarHBondContact O-N 2.86Å; I111-H114 PolarHBondContact O-N 3.05Å; I111-K115 HydrophobicContact CG2-CD 4.33Å; I111-K115 WeakPolarHBondContact O-CG 3.49Å; I111-K115 PolarHBondContact O-N 2.88Å
112H97.6Very high95.8Very high106 Ų10668.6 Ų68.649%0.49137%0.369SS..Hα-helixtrans-64.1-44.8175.9-176.277.6000112.2S108 Y109 I110 H114 K115 H116S108-H112 PolarHBondContact O-N 3.45Å; S108-H112 VanDerWaalsContact O-N 3.1Å; Y109-H112 WeakPolarHBondContact O-CA 3.3Å; Y109-H112 WeakPolarHBondContact O-CB 3.43Å; Y109-H112 PolarHBondContact O-N 2.74Å; I110-H112 VanDerWaalsContact C-N 3.26Å; I110-H112 PolarHBondContact O-N 3.4Å; H112-H114 VanDerWaalsContact C-N 3.32Å; H112-H114 PolarHBondContact O-N 3.4Å; H112-K115 PolarHBondContact O-N 3.22Å; H112-H116 PolarHBondContact O-N 3.08Å
113I97.2Very high95.1Very high1 Ų171.1 Ų71.11%0.00538%0.383CS..Hα-helixtrans-58.7-44.6173.9-68.4-63.3000110.8F61 F86 Y109 I110 K115 H116 F117F61-I113 HydrophobicContact CD1-CD1 4.27Å; F61-I113 HydrophobicContact CD1-CG2 3.73Å; F61-I113 HydrophobicContact CE1-CG2 3.34Å; F61-I113 HydrophobicContact CZ-CG2 4.23Å; F86-I113 HydrophobicContact CE1-CG1 4.46Å; F86-I113 HydrophobicContact CZ-CG1 4Å; Y109-I113 HydrophobicContact CD1-CG1 4.08Å; Y109-I113 HydrophobicContact CE1-CD1 4.05Å; Y109-I113 HydrophobicContact CE1-CG1 3.84Å; Y109-I113 PolarHBondContact O-N 2.97Å; I110-I113 WeakPolarHBondContact O-CB 3.29Å; I110-I113 PolarHBondContact O-N 3.38Å; I110-I113 VanDerWaalsContact O-N 3.15Å; I113-K115 PolarHBondContact O-N 2.99Å; I113-H116 PolarHBondContact O-N 3.29Å; I113-H116 VanDerWaalsContact O-N 3.1Å; I113-F117 HydrophobicContact CG2-CD2 4.06Å; I113-F117 PolarHBondContact O-N 3.41Å
114H96.4Very high94.3Very high76 Ų7678.5 Ų78.535%0.35242%0.417SS..Hα-helixtrans-59.9-43.7176.4-87.8-96.3000112.8Y83 I110 I111 H112 H116 F118 S119Y83-H114 AromaticContact CE2-NE2 3.61Å; Y83-H114 AromaticContact CZ-NE2 3.53Å; Y83-H114 PolarHBondContact OH-NE2 3.24Å; I110-H114 PolarHBondContact O-CD2 2.81Å; I110-H114 VanDerWaalsContact O-CD2 3.25Å; I110-H114 PolarHBondContact O-N 2.87Å; I111-H114 PolarHBondContact O-N 3.05Å; H112-H114 VanDerWaalsContact C-N 3.32Å; H112-H114 PolarHBondContact O-N 3.4Å; H114-H116 VanDerWaalsContact C-N 3.27Å; H114-H116 PolarHBondContact O-N 3.4Å; H114-F118 HydrophobicContact CB-CD2 4.41Å; H114-F118 AromaticContact ND1-CD2 3.64Å; H114-F118 CarbonylContact O-C 3.41Å; H114-F118 VanDerWaalsContact O-CA 3.31Å; H114-F118 WeakPolarHBondContact O-CA 3.48Å; H114-F118 WeakPolarHBondContact O-CB 3.42Å; H114-F118 PolarHBondContact O-N 2.88Å; H114-S119 PolarHBondContact O-N 3.47Å
115K96.3Very high93.3Very high146 Ų14680.9 Ų80.964%0.63542%0.419SS*.Hα-helixtrans-65.1-31.6175.2-72.7176.1179.9178.10112.7I111 H112 I113 S119I111-K115 HydrophobicContact CG2-CD 4.33Å; I111-K115 WeakPolarHBondContact O-CG 3.49Å; I111-K115 PolarHBondContact O-N 2.88Å; H112-K115 PolarHBondContact O-N 3.22Å; I113-K115 PolarHBondContact O-N 2.99Å; K115-S119 WeakPolarHBondContact O-CB 3.34Å; K115-S119 PolarHBondContact O-OG 2.92Å
116H95.4Very high92.3Very high108 Ų10883.9 Ų83.950%0.544%0.439SS..Hα-helixtrans-74.8-49.1-178.7-16963.9000112.5H112 I113 H114H112-H116 PolarHBondContact O-N 3.08Å; I113-H116 PolarHBondContact O-N 3.29Å; I113-H116 VanDerWaalsContact O-N 3.1Å; H114-H116 VanDerWaalsContact C-N 3.27Å; H114-H116 PolarHBondContact O-N 3.4Å
117F95.5Very high91.4Very high16 Ų1689.2 Ų89.27%0.0747%0.466CS..Hα-helixtrans-96.1-31.7-174.6-70-78.9000114.1F61 K62 M65 W73 I113F61-F117 HydrophobicContact CD1-CD2 4.4Å; F61-F117 AromaticContact CD1-CE2 3.95Å; F61-F117 HydrophobicContact CD1-CE2 3.95Å; F61-F117 AromaticContact CE1-CD2 3.73Å; F61-F117 HydrophobicContact CE1-CD2 3.73Å; F61-F117 AromaticContact CE1-CE2 3.71Å; F61-F117 HydrophobicContact CE1-CE2 3.71Å; F61-F117 HydrophobicContact CE1-CG 4.49Å; F61-F117 HydrophobicContact CE1-CZ 4.49Å; K62-F117 HydrophobicContact CB-CZ 4.31Å; K62-F117 HydrophobicContact CG-CE2 4Å; K62-F117 HydrophobicContact CG-CZ 3.84Å; M65-F117 HydrophobicContact CB-CD1 4.37Å; M65-F117 HydrophobicContact CB-CE1 3.75Å; M65-F117 HydrophobicContact CB-CZ 3.98Å; M65-F117 HydrophobicContact CE-CD1 4.04Å; M65-F117 HydrophobicContact CE-CG 4.42Å; M65-F117 HydrophobicContact CG-CE1 4.23Å; M65-F117 HydrophobicContact CG-CZ 4.29Å; W73-F117 HydrophobicContact CD2-CD1 4.18Å; W73-F117 AromaticContact CE2-CD1 3.89Å; W73-F117 HydrophobicContact CE3-CD1 4.31Å; W73-F117 AromaticContact CH2-CD1 3.91Å; W73-F117 HydrophobicContact CH2-CD1 3.91Å; W73-F117 HydrophobicContact CH2-CE1 4.29Å; W73-F117 AromaticContact CZ2-CD1 3.76Å; W73-F117 HydrophobicContact CZ2-CD1 3.76Å; W73-F117 HydrophobicContact CZ2-CE1 4.01Å; W73-F117 HydrophobicContact CZ3-CD1 4.18Å; I113-F117 HydrophobicContact CG2-CD2 4.06Å; I113-F117 PolarHBondContact O-N 3.41Å
118F95.5Very high90.6Very high22 Ų2294.8 Ų94.810%0.09648%0.482CS..SBendtrans-117.912.7-167-47.2-55.3000114F61 M65 W73 F79 Y83 H114 N120 C121F61-F118 HydrophobicContact CZ-CZ 4.42Å; M65-F118 HydrophobicContact CE-CE1 4.23Å; M65-F118 HydrophobicContact CE-CZ 4.35Å; W73-F118 HydrophobicContact CB-CD1 4.3Å; W73-F118 HydrophobicContact CB-CE1 4.32Å; W73-F118 VanDerWaalsContact O-CD1 3.24Å; W73-F118 WeakPolarHBondContact O-CD1 3.47Å; W73-F118 VanDerWaalsContact O-CE1 3.23Å; W73-F118 WeakPolarHBondContact O-CE1 3.37Å; F79-F118 HydrophobicContact CD1-CE1 4.09Å; F79-F118 HydrophobicContact CD1-CZ 4.46Å; F79-F118 HydrophobicContact CD2-CE1 4.06Å; F79-F118 AromaticContact CD2-CZ 3.6Å; F79-F118 HydrophobicContact CD2-CZ 3.6Å; F79-F118 AromaticContact CE1-CE1 3.96Å; F79-F118 HydrophobicContact CE1-CE1 3.96Å; F79-F118 HydrophobicContact CE1-CZ 4.34Å; F79-F118 AromaticContact CE2-CE1 3.97Å; F79-F118 HydrophobicContact CE2-CE1 3.97Å; F79-F118 HydrophobicContact CE2-CE2 4.07Å; F79-F118 AromaticContact CE2-CZ 3.5Å; F79-F118 HydrophobicContact CE2-CZ 3.5Å; F79-F118 HydrophobicContact CG-CE1 4.14Å; F79-F118 HydrophobicContact CG-CZ 4.11Å; F79-F118 AromaticContact CZ-CE1 3.92Å; F79-F118 HydrophobicContact CZ-CE1 3.92Å; F79-F118 HydrophobicContact CZ-CE2 4.47Å; F79-F118 AromaticContact CZ-CZ 3.9Å; F79-F118 HydrophobicContact CZ-CZ 3.9Å; Y83-F118 HydrophobicContact CD2-CE2 4.48Å; H114-F118 HydrophobicContact CB-CD2 4.41Å; H114-F118 AromaticContact ND1-CD2 3.64Å; H114-F118 CarbonylContact O-C 3.41Å; H114-F118 VanDerWaalsContact O-CA 3.31Å; H114-F118 WeakPolarHBondContact O-CA 3.48Å; H114-F118 WeakPolarHBondContact O-CB 3.42Å; H114-F118 PolarHBondContact O-N 2.88Å; F118-N120 VanDerWaalsContact C-N 3.25Å; F118-N120 PolarHBondContact O-N 2.83Å; F118-C121 HydrophobicContact CB-CB 4.49Å; F118-C121 WeakPolarHBondContact O-CB 3.34Å; F118-C121 PolarHBondContact O-N 3.25Å; F118-C121 VanDerWaalsContact O-N 3.1Å
119S94.2Very high90Very high78 Ų7898.7 Ų98.755%0.54549%0.494SS..THydrogen-bonded Turntrans-62.5-26.6-175.642.90000115.1H114 K115H114-S119 PolarHBondContact O-N 3.47Å; K115-S119 WeakPolarHBondContact O-CB 3.34Å; K115-S119 PolarHBondContact O-OG 2.92Å
120N93.2Very high89.6Confident154 Ų154103.7 Ų103.782%0.82452%0.523SS*.THydrogen-bonded Turntrans-99.88178.7-66-46.4000113.1F118F118-N120 VanDerWaalsContact C-N 3.25Å; F118-N120 PolarHBondContact O-N 2.83Å
121C92.6Very high89.1Confident37 Ų37104.8 Ų104.825%0.2553%0.533CS..  trans-83.8128.2177.5-60.30000110.4C74 F118C74-C121 WeakPolarHBondContact CA-SG 3.45Å; C74-C121 HydrophobicContact CB-CB 3.73Å; C74-C121 WeakPolarHBondContact CB-SG 3.35Å; C74-C121 WeakPolarHBondContact SG-CA 3.47Å; C74-C121 WeakPolarHBondContact SG-CB 3.35Å; C74-C121 CovalentContact SG-SG 2.04Å; C74-C121 PolarHBondContact SG-SG 3.34Å; F118-C121 HydrophobicContact CB-CB 4.49Å; F118-C121 WeakPolarHBondContact O-CB 3.34Å; F118-C121 PolarHBondContact O-N 3.25Å; F118-C121 VanDerWaalsContact O-N 3.1Å
122T89.6Confident89Confident136 Ų136105.5 Ų105.583%0.83454%0.542SS*.  trans-84.6125.8170.1520000109.1E124T122-E124 PolarHBondContact O-N 3.45Å
123V81.4Confident88.8Confident123 Ų123106.5 Ų106.575%0.74555%0.551SS**  trans-77.1115.5168.8179.90000107.3E125V123-E125 VanDerWaalsContact C-N 3.31Å; V123-E125 HydrophobicContact CG1-CG 4.24Å; V123-E125 PolarHBondContact O-N 3.1Å
124E77.7Confident88.7Confident178 Ų178112.8 Ų112.883%0.83259%0.585SS**  trans-7394.5166.4-167.1163.2-156.900107.1T122 V126T122-E124 PolarHBondContact O-N 3.45Å; E124-V126 PolarHBondContact O-N 2.99Å
125E73.9Confident88.6Confident153 Ų153112.3 Ų112.372%0.71559%0.587SS**  trans-66.699.9173.7-74.6-175.1178.200108.2V123 I127V123-E125 VanDerWaalsContact C-N 3.31Å; V123-E125 HydrophobicContact CG1-CG 4.24Å; V123-E125 PolarHBondContact O-N 3.1Å; E125-I127 VanDerWaalsContact C-N 3.29Å; E125-I127 HydrophobicContact CB-CG1 4.39Å; E125-I127 PolarHBondContact O-N 3.27Å
126V76Confident88.7Confident92 Ų92108.4 Ų108.456%0.55857%0.573SS**  trans-69.799.2160.7-173.90000105.9E124 W128E124-V126 PolarHBondContact O-N 2.99Å; V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 HydrophobicContact CG1-CD2 4.11Å; V126-W128 HydrophobicContact CG1-CG 4.5Å; V126-W128 HydrophobicContact CG1-CH2 4.42Å; V126-W128 HydrophobicContact CG1-CZ2 3.7Å; V126-W128 PolarHBondContact O-N 2.97Å
127I79.3Confident88.7Confident111 Ų111106.7 Ų106.757%0.56957%0.57SS**  trans-69.493.2178.6-60.6175.6000107.7E125 M129E125-I127 VanDerWaalsContact C-N 3.29Å; E125-I127 HydrophobicContact CB-CG1 4.39Å; E125-I127 PolarHBondContact O-N 3.27Å; I127-M129 HydrophobicContact CG2-CB 3.77Å; I127-M129 HydrophobicContact CG2-CE 3.92Å; I127-M129 HydrophobicContact CG2-CG 3.38Å; I127-M129 HydrophobicContact CG2-SD 3.45Å; I127-M129 WeakPolarHBondContact CG2-SD 3.41Å; I127-M129 PolarHBondContact O-N 3.26Å
128W80.4Confident88.8Confident233 Ų233110 Ų11088%0.88359%0.592SS**  trans-78.972.9167.1-59.7102.1000108.6V126V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 HydrophobicContact CG1-CD2 4.11Å; V126-W128 HydrophobicContact CG1-CG 4.5Å; V126-W128 HydrophobicContact CG1-CH2 4.42Å; V126-W128 HydrophobicContact CG1-CZ2 3.7Å; V126-W128 PolarHBondContact O-N 2.97Å
129M85.6Confident88.8Confident154 Ų154114.5 Ų114.576%0.75962%0.616SS**  trans-105.8141.3172.2-78.6177.8-174.600110I127I127-M129 HydrophobicContact CG2-CB 3.77Å; I127-M129 HydrophobicContact CG2-CE 3.92Å; I127-M129 HydrophobicContact CG2-CG 3.38Å; I127-M129 HydrophobicContact CG2-SD 3.45Å; I127-M129 WeakPolarHBondContact CG2-SD 3.41Å; I127-M129 PolarHBondContact O-N 3.26Å
130D88.3Confident88.9Confident145 Ų145115.5 Ų115.578%0.77561%0.614SS**PPolyproline II helixtrans-57.9145166.2-70.6-42.2000109.6
131P88.1Confident89.1Confident54 Ų54112 Ų11235%0.35160%0.595SS.*PPolyproline II helixtrans-63.9155.8175.331.2-36.3000109.6D133 T135 L136P131-D133 PolarHBondContact O-N 3.49Å; P131-T135 WeakPolarHBondContact CB-OG1 3.41Å; P131-L136 HydrophobicContact CG-CB 4.3Å; P131-L136 HydrophobicContact CG-CD1 4.27Å
132P93.9Very high89.4Confident92 Ų92113.6 Ų113.660%0.59760%0.604SS**PPolyproline II helixtrans-50.6141.6-180-26.132.8000112.7D134 T135 L136P132-D134 PolarHBondContact O-N 2.99Å; P132-T135 HydrophobicContact CB-CG2 4.49Å; P132-T135 WeakPolarHBondContact CD-OG1 3.35Å; P132-T135 WeakPolarHBondContact O-CA 3.48Å; P132-T135 PolarHBondContact O-N 3.17Å; P132-T135 PolarHBondContact O-OG1 3.37Å; P132-L136 PolarHBondContact O-N 2.94Å
133D94.6Very high89.7Confident127 Ų127110.1 Ų110.168%0.67958%0.584SS**Hα-helixtrans-49.8-39.6-173.7-69.1-21.3000113.5P131 T135 L136 T137P131-D133 PolarHBondContact O-N 3.49Å; D133-T135 PolarHBondContact O-N 2.91Å; D133-L136 PolarHBondContact O-N 2.04Å; D133-T137 VanDerWaalsContact O-CB 3.25Å; D133-T137 WeakPolarHBondContact O-CB 3.37Å; D133-T137 PolarHBondContact O-N 3.03Å; D133-T137 PolarHBondContact O-OG1 2.8Å
134D95.7Very high90.5Very high134 Ų134107.6 Ų107.672%0.71757%0.568SS**Hα-helixtrans-61.2-44.1177.4-67-26.9000111.9P132 T137 V138P132-D134 PolarHBondContact O-N 2.99Å; D134-T137 PolarHBondContact O-N 3.47Å; D134-V138 WeakPolarHBondContact O-CG2 3.43Å; D134-V138 PolarHBondContact O-N 2.93Å
135T94.4Very high91.4Very high65 Ų65105.3 Ų105.340%0.39956%0.556SS.*Hα-helixtrans-70.8-41.6179.562.60000111.6P131 P132 D133 T137 V138 L139P131-T135 WeakPolarHBondContact CB-OG1 3.41Å; P132-T135 HydrophobicContact CB-CG2 4.49Å; P132-T135 WeakPolarHBondContact CD-OG1 3.35Å; P132-T135 WeakPolarHBondContact O-CA 3.48Å; P132-T135 PolarHBondContact O-N 3.17Å; P132-T135 PolarHBondContact O-OG1 3.37Å; D133-T135 PolarHBondContact O-N 2.91Å; T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact O-N 3.13Å; T135-V138 PolarHBondContact O-N 3.17Å; T135-L139 WeakPolarHBondContact O-CB 3.49Å; T135-L139 VanDerWaalsContact O-CG 3.29Å; T135-L139 WeakPolarHBondContact O-CG 3.46Å; T135-L139 PolarHBondContact O-N 3.16Å
136L96.5Very high92.5Very high65 Ų65103.1 Ų103.134%0.3455%0.549SS..Hα-helixtrans-60.1-44.7174.7-176.563.4000110.7P131 P132 D133 V138 L139 I140P131-L136 HydrophobicContact CG-CB 4.3Å; P131-L136 HydrophobicContact CG-CD1 4.27Å; P132-L136 PolarHBondContact O-N 2.94Å; D133-L136 PolarHBondContact O-N 2.04Å; L136-V138 PolarHBondContact O-N 3.4Å; L136-L139 PolarHBondContact O-N 3.41Å; L136-I140 HydrophobicContact CD1-CD1 4.33Å; L136-I140 HydrophobicContact CG-CD1 4.06Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.41Å
137T96.4Very high93.5Very high71 Ų71102.5 Ų102.544%0.43655%0.545SS..Hα-helixtrans-61.4-45.2178.9-60.20000111.3D133 D134 T135 L139 I140 L141D133-T137 VanDerWaalsContact O-CB 3.25Å; D133-T137 WeakPolarHBondContact O-CB 3.37Å; D133-T137 PolarHBondContact O-N 3.03Å; D133-T137 PolarHBondContact O-OG1 2.8Å; D134-T137 PolarHBondContact O-N 3.47Å; T135-T137 VanDerWaalsContact C-N 3.32Å; T135-T137 PolarHBondContact O-N 3.13Å; T137-L139 PolarHBondContact O-N 3.24Å; T137-I140 PolarHBondContact O-N 2.83Å; T137-L141 HydrophobicContact CG2-CD1 3.79Å; T137-L141 HydrophobicContact CG2-CG 4.2Å; T137-L141 WeakPolarHBondContact O-CB 3.32Å; T137-L141 WeakPolarHBondContact O-CG 3.46Å; T137-L141 PolarHBondContact O-N 3.3Å
138V96.9Very high94.3Very high87 Ų87102 Ų10253%0.52754%0.543SS..Hα-helixtrans-62.5-43.61761720000111.2D134 T135 L136 I140 L141 V142D134-V138 WeakPolarHBondContact O-CG2 3.43Å; D134-V138 PolarHBondContact O-N 2.93Å; T135-V138 PolarHBondContact O-N 3.17Å; L136-V138 PolarHBondContact O-N 3.4Å; V138-I140 PolarHBondContact O-N 3.32Å; V138-L141 PolarHBondContact O-N 3.24Å; V138-V142 HydrophobicContact CG1-CG2 3.98Å; V138-V142 WeakPolarHBondContact O-CB 3.02Å; V138-V142 VanDerWaalsContact O-CG2 3.26Å; V138-V142 WeakPolarHBondContact O-CG2 3.04Å; V138-V142 PolarHBondContact O-N 3.03Å
139L96.1Very high95.1Very high116 Ų11693.1 Ų93.161%0.60752%0.519SS*.Hα-helixtrans-61.3-30.4177.6-73.8170000112.9T135 L136 T137 P143T135-L139 WeakPolarHBondContact O-CB 3.49Å; T135-L139 VanDerWaalsContact O-CG 3.29Å; T135-L139 WeakPolarHBondContact O-CG 3.46Å; T135-L139 PolarHBondContact O-N 3.16Å; L136-L139 PolarHBondContact O-N 3.41Å; T137-L139 PolarHBondContact O-N 3.24Å; L139-P143 WeakPolarHBondContact O-CD 3.4Å; L139-P143 VanDerWaalsContact O-CG 3.25Å; L139-P143 WeakPolarHBondContact O-CG 3.36Å
140I97.2Very high95.5Very high99 Ų9991.3 Ų91.351%0.50851%0.51SS..Hα-helixtrans-80.2-44.5174.9-65.7165.8000111.2L136 T137 V138 P143 V144L136-I140 HydrophobicContact CD1-CD1 4.33Å; L136-I140 HydrophobicContact CG-CD1 4.06Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.41Å; T137-I140 PolarHBondContact O-N 2.83Å; V138-I140 PolarHBondContact O-N 3.32Å; I140-P143 WeakPolarHBondContact O-CD 3.43Å; I140-P143 WeakPolarHBondContact O-CG 3.1Å; I140-V144 WeakPolarHBondContact O-CG2 3.48Å
141L97.5Very high95.9Very high79 Ų7989.3 Ų89.341%0.41450%0.498SS..Hα-helixtrans-69.6-40-174.2-75.6-179.7000113T137 V138 V144 F145T137-L141 HydrophobicContact CG2-CD1 3.79Å; T137-L141 HydrophobicContact CG2-CG 4.2Å; T137-L141 WeakPolarHBondContact O-CB 3.32Å; T137-L141 WeakPolarHBondContact O-CG 3.46Å; T137-L141 PolarHBondContact O-N 3.3Å; V138-L141 PolarHBondContact O-N 3.24Å; L141-V144 PolarHBondContact O-N 3.36Å; L141-F145 HydrophobicContact CB-CD2 4.08Å; L141-F145 HydrophobicContact CB-CE2 3.84Å; L141-F145 HydrophobicContact CD1-CE2 4.4Å; L141-F145 HydrophobicContact CD2-CE2 4.03Å; L141-F145 HydrophobicContact CD2-CZ 4.46Å; L141-F145 HydrophobicContact CG-CE2 4.31Å; L141-F145 WeakPolarHBondContact O-CD2 3.16Å; L141-F145 PolarHBondContact O-N 2.8Å
142V97.7Very high96.2Very high72 Ų7289.6 Ų89.644%0.43651%0.505SS..Hα-helixtrans-54.6-55.5-179.31690000112.9V138 V144 F145 L146V138-V142 HydrophobicContact CG1-CG2 3.98Å; V138-V142 WeakPolarHBondContact O-CB 3.02Å; V138-V142 VanDerWaalsContact O-CG2 3.26Å; V138-V142 WeakPolarHBondContact O-CG2 3.04Å; V138-V142 PolarHBondContact O-N 3.03Å; V142-V144 VanDerWaalsContact C-N 3.3Å; V142-V144 PolarHBondContact O-N 2.93Å; V142-F145 PolarHBondContact O-N 3.14Å; V142-L146 HydrophobicContact CG1-CD1 3.89Å; V142-L146 HydrophobicContact CG1-CG 4.41Å; V142-L146 VanDerWaalsContact O-CG 3.29Å; V142-L146 WeakPolarHBondContact O-CG 3.24Å; V142-L146 PolarHBondContact O-N 3.33Å
143P96.8Very high96.2Very high63 Ų6390 Ų9041%0.40950%0.502SS..Hα-helixtrans-64.2-32.6178.823.3-32.5000112.8L139 I140 L146 T147L139-P143 WeakPolarHBondContact O-CD 3.4Å; L139-P143 VanDerWaalsContact O-CG 3.25Å; L139-P143 WeakPolarHBondContact O-CG 3.36Å; I140-P143 WeakPolarHBondContact O-CD 3.43Å; I140-P143 WeakPolarHBondContact O-CG 3.1Å; P143-L146 PolarHBondContact O-N 2.96Å; P143-T147 VanDerWaalsContact O-CG2 3.3Å; P143-T147 WeakPolarHBondContact O-CG2 3.31Å; P143-T147 PolarHBondContact O-N 3Å; P143-T147 PolarHBondContact O-OG1 3.45Å
144V97.9Very high96.3Very high70 Ų7088.5 Ų88.542%0.42450%0.497SS..Hα-helixtrans-63.1-49174.2174.10000110.7I140 L141 V142 L146 T147 L148I140-V144 WeakPolarHBondContact O-CG2 3.48Å; L141-V144 PolarHBondContact O-N 3.36Å; V142-V144 VanDerWaalsContact C-N 3.3Å; V142-V144 PolarHBondContact O-N 2.93Å; V144-L146 VanDerWaalsContact C-N 3.35Å; V144-L146 PolarHBondContact O-N 3.16Å; V144-T147 PolarHBondContact O-N 2.9Å; V144-T147 PolarHBondContact O-OG1 2.93Å; V144-L148 HydrophobicContact CG1-CD1 4.3Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 3.21Å; V144-L148 VanDerWaalsContact O-N 3.12Å
145F97Very high96.3Very high129 Ų12986.5 Ų86.557%0.56649%0.49SS*.Hα-helixtrans-65.4-37.4178.1-71.6-59.3000112.8L141 V142 L148 A149L141-F145 HydrophobicContact CB-CD2 4.08Å; L141-F145 HydrophobicContact CB-CE2 3.84Å; L141-F145 HydrophobicContact CD1-CE2 4.4Å; L141-F145 HydrophobicContact CD2-CE2 4.03Å; L141-F145 HydrophobicContact CD2-CZ 4.46Å; L141-F145 HydrophobicContact CG-CE2 4.31Å; L141-F145 WeakPolarHBondContact O-CD2 3.16Å; L141-F145 PolarHBondContact O-N 2.8Å; V142-F145 PolarHBondContact O-N 3.14Å; F145-L148 PolarHBondContact O-N 3.1Å; F145-A149 WeakPolarHBondContact O-CB 3.28Å; F145-A149 PolarHBondContact O-N 2.69Å
146L97.3Very high96.2Very high108 Ų10892 Ų9257%0.56550%0.503SS*.Hα-helixtrans-63.4-42.9176-71.6174.8000112.1V142 P143 V144 A149 M150V142-L146 HydrophobicContact CG1-CD1 3.89Å; V142-L146 HydrophobicContact CG1-CG 4.41Å; V142-L146 VanDerWaalsContact O-CG 3.29Å; V142-L146 WeakPolarHBondContact O-CG 3.24Å; V142-L146 PolarHBondContact O-N 3.33Å; P143-L146 PolarHBondContact O-N 2.96Å; V144-L146 VanDerWaalsContact C-N 3.35Å; V144-L146 PolarHBondContact O-N 3.16Å; L146-A149 PolarHBondContact O-N 3.18Å; L146-M150 WeakPolarHBondContact O-CB 3.48Å; L146-M150 WeakPolarHBondContact O-CG 3.08Å; L146-M150 PolarHBondContact O-N 3.48Å
147T96.4Very high95.9Very high79 Ų7992.3 Ų92.349%0.48551%0.51SS..Hα-helixtrans-64.3-42.8177.354.60000111.7P143 V144 A149 M150 I151P143-T147 VanDerWaalsContact O-CG2 3.3Å; P143-T147 WeakPolarHBondContact O-CG2 3.31Å; P143-T147 PolarHBondContact O-N 3Å; P143-T147 PolarHBondContact O-OG1 3.45Å; V144-T147 PolarHBondContact O-N 2.9Å; V144-T147 PolarHBondContact O-OG1 2.93Å; T147-A149 PolarHBondContact O-N 2.9Å; T147-M150 PolarHBondContact O-N 2.91Å; T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.3Å; T147-I151 PolarHBondContact O-N 3.12Å
148L96Very high95.6Very high100 Ų10092 Ų9252%0.52451%0.511SS..Hα-helixtrans-61.3-43.5174.6-67.6175.7000112.2V144 F145 I151 A152V144-L148 HydrophobicContact CG1-CD1 4.3Å; V144-L148 WeakPolarHBondContact O-CG 3.39Å; V144-L148 PolarHBondContact O-N 3.21Å; V144-L148 VanDerWaalsContact O-N 3.12Å; F145-L148 PolarHBondContact O-N 3.1Å; L148-I151 PolarHBondContact O-N 2.94Å; L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 3.38Å
149A96Very high95Very high47 Ų4794.4 Ų94.439%0.38851%0.514SS..Hα-helixtrans-62.6-44.2176.700000111.7F145 L146 T147 A152 L153F145-A149 WeakPolarHBondContact O-CB 3.28Å; F145-A149 PolarHBondContact O-N 2.69Å; L146-A149 PolarHBondContact O-N 3.18Å; T147-A149 PolarHBondContact O-N 2.9Å; A149-A152 PolarHBondContact O-N 3.34Å; A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 VanDerWaalsContact O-CG 3.28Å; A149-L153 WeakPolarHBondContact O-CG 3.5Å; A149-L153 PolarHBondContact O-N 3.24Å
150M95.6Very high94.4Very high116 Ų11696.5 Ų96.557%0.57151%0.514SS*.Hα-helixtrans-61.7-44.2176.9-74.3-60.3-64.400112.1L146 T147 A152 L153 V154L146-M150 WeakPolarHBondContact O-CB 3.48Å; L146-M150 WeakPolarHBondContact O-CG 3.08Å; L146-M150 PolarHBondContact O-N 3.48Å; T147-M150 PolarHBondContact O-N 2.91Å; M150-A152 PolarHBondContact O-N 2.02Å; M150-L153 PolarHBondContact O-N 2.71Å; M150-L153 HydrophobicContact SD-CD1 4.43Å; M150-V154 VanDerWaalsContact O-CG2 3.29Å; M150-V154 WeakPolarHBondContact O-CG2 3.44Å; M150-V154 PolarHBondContact O-N 2.94Å
151I95.9Very high93.4Very high102 Ų10295.4 Ų95.452%0.52352%0.515SS..Hα-helixtrans-60.6-46.9175.9-67.2164000110.4T147 L148 L153 V154 V155T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.3Å; T147-I151 PolarHBondContact O-N 3.12Å; L148-I151 PolarHBondContact O-N 2.94Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 3.44Å; I151-V154 PolarHBondContact O-N 3.32Å; I151-V155 HydrophobicContact CG2-CG2 4.4Å; I151-V155 WeakPolarHBondContact O-CG2 3.28Å; I151-V155 PolarHBondContact O-N 2.89Å
152A93.8Very high92.1Very high60 Ų6097 Ų9750%0.49652%0.524SS..Hα-helixtrans-60.6-42.6178.600000112.2L148 A149 M150 V155 W156L148-A152 WeakPolarHBondContact O-CB 3.29Å; L148-A152 PolarHBondContact O-N 3.38Å; A149-A152 PolarHBondContact O-N 3.34Å; M150-A152 PolarHBondContact O-N 2.02Å; A152-V155 PolarHBondContact O-N 3.27Å; A152-W156 VanDerWaalsContact O-CB 3.26Å; A152-W156 WeakPolarHBondContact O-CB 3.35Å; A152-W156 PolarHBondContact O-N 3.3Å
153L95.4Very high90.5Very high100 Ų10099.9 Ų99.952%0.52454%0.536SS..Hα-helixtrans-62.6-44.3175.9-73.1173.6000112A149 M150 I151 W156 C157A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 VanDerWaalsContact O-CG 3.28Å; A149-L153 WeakPolarHBondContact O-CG 3.5Å; A149-L153 PolarHBondContact O-N 3.24Å; M150-L153 PolarHBondContact O-N 2.71Å; M150-L153 HydrophobicContact SD-CD1 4.43Å; I151-L153 VanDerWaalsContact C-N 3.34Å; I151-L153 PolarHBondContact O-N 3.44Å; L153-W156 PolarHBondContact O-N 2.67Å; L153-C157 WeakPolarHBondContact O-CB 3.42Å; L153-C157 PolarHBondContact O-N 2.89Å; L153-C157 PolarHBondContact O-SG 3.47Å; L153-C157 VanDerWaalsContact O-SG 3.37Å
154V95.9Very high88.8Confident97 Ų97103.5 Ų103.559%0.58855%0.552SS**Hα-helixtrans-62.7-46.9178.1170.30000110.9M150 I151 W156 C157 S158M150-V154 VanDerWaalsContact O-CG2 3.29Å; M150-V154 WeakPolarHBondContact O-CG2 3.44Å; M150-V154 PolarHBondContact O-N 2.94Å; I151-V154 PolarHBondContact O-N 3.32Å; V154-W156 VanDerWaalsContact C-N 3.34Å; V154-W156 PolarHBondContact O-N 3.39Å; V154-C157 PolarHBondContact O-N 3.38Å; V154-S158 WeakPolarHBondContact O-CB 3.5Å; V154-S158 PolarHBondContact O-N 3.14Å
155V94.7Very high86.6Confident91 Ų91106.8 Ų106.855%0.55259%0.586SS**Hα-helixtrans-61.7-43.9177.8172.30000111I151 A152 S158 K159I151-V155 HydrophobicContact CG2-CG2 4.4Å; I151-V155 WeakPolarHBondContact O-CG2 3.28Å; I151-V155 PolarHBondContact O-N 2.89Å; A152-V155 PolarHBondContact O-N 3.27Å; V155-S158 PolarHBondContact O-N 3.12Å; V155-K159 WeakPolarHBondContact O-CB 3.41Å; V155-K159 PolarHBondContact O-N 3.24Å
156W92.2Very high86.1Confident180 Ų180105.7 Ų105.768%0.68259%0.587SS**Hα-helixtrans-61.8-48.4177.5-179.5-95000112.2A152 L153 V154 K159 R160A152-W156 VanDerWaalsContact O-CB 3.26Å; A152-W156 WeakPolarHBondContact O-CB 3.35Å; A152-W156 PolarHBondContact O-N 3.3Å; L153-W156 PolarHBondContact O-N 2.67Å; V154-W156 VanDerWaalsContact C-N 3.34Å; V154-W156 PolarHBondContact O-N 3.39Å; W156-K159 PolarHBondContact O-N 3.15Å; W156-R160 PolarHBondContact O-N 3.27Å
157C90.3Very high85.5Confident73 Ų73105.6 Ų105.649%0.49359%0.588SS.*Hα-helixtrans-64.5-39.8178.8-75.40000112.4L153 V154 R160 S161L153-C157 WeakPolarHBondContact O-CB 3.42Å; L153-C157 PolarHBondContact O-N 2.89Å; L153-C157 PolarHBondContact O-SG 3.47Å; L153-C157 VanDerWaalsContact O-SG 3.37Å; V154-C157 PolarHBondContact O-N 3.38Å; C157-R160 PolarHBondContact O-N 3.26Å; C157-S161 WeakPolarHBondContact O-CB 3.04Å; C157-S161 PolarHBondContact O-N 2.82Å; C157-S161 PolarHBondContact O-OG 2.76Å
158S90.6Very high84.9Confident64 Ų64107.1 Ų107.145%0.44859%0.594SS.*Hα-helixtrans-60.7-52.4175-1690000110.6V154 V155 R160 S161 D162V154-S158 WeakPolarHBondContact O-CB 3.5Å; V154-S158 PolarHBondContact O-N 3.14Å; V155-S158 PolarHBondContact O-N 3.12Å; S158-R160 VanDerWaalsContact C-N 3.3Å; S158-R160 PolarHBondContact O-N 2.96Å; S158-S161 WeakPolarHBondContact O-CB 3.45Å; S158-S161 PolarHBondContact O-N 3.26Å; S158-D162 VanDerWaalsContact O-CG 3.29Å; S158-D162 PolarHBondContact O-N 2.94Å
159K85.7Confident84.2Confident138 Ų138107.5 Ų107.560%0.660%0.598SS**Hα-helixtrans-60.5-38.1-179.2-175.5174.3179.9170.80112.7V155 W156 L163V155-K159 WeakPolarHBondContact O-CB 3.41Å; V155-K159 PolarHBondContact O-N 3.24Å; W156-K159 PolarHBondContact O-N 3.15Å; K159-L163 HydrophobicContact CG-CD1 4.39Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.49Å; K159-L163 PolarHBondContact O-N 3.05Å
160R82.8Confident83.5Confident160 Ų160111.3 Ų111.360%0.60461%0.611SS**Hα-helixtrans-69.1-36.5176.4-171.3179.6-177.6-175.11.9112.1W156 C157 S158 L163 L164W156-R160 PolarHBondContact O-N 3.27Å; C157-R160 PolarHBondContact O-N 3.26Å; S158-R160 VanDerWaalsContact C-N 3.3Å; S158-R160 PolarHBondContact O-N 2.96Å; R160-L163 PolarHBondContact O-N 2.68Å; R160-L164 HydrophobicContact CG-CD1 4.09Å; R160-L164 WeakPolarHBondContact O-CG 3.4Å; R160-L164 PolarHBondContact O-N 2.72Å
161S76.2Confident82.7Confident75 Ų75110.9 Ų110.952%0.52461%0.614SS.*Hα-helixtrans-67.1-40.3176.6-54.30000111C157 S158 L163 L164 A165C157-S161 WeakPolarHBondContact O-CB 3.04Å; C157-S161 PolarHBondContact O-N 2.82Å; C157-S161 PolarHBondContact O-OG 2.76Å; S158-S161 WeakPolarHBondContact O-CB 3.45Å; S158-S161 PolarHBondContact O-N 3.26Å; S161-L163 VanDerWaalsContact C-N 3.3Å; S161-L163 PolarHBondContact O-N 2.95Å; S161-L164 PolarHBondContact O-N 2.92Å; S161-A165 PolarHBondContact O-N 2.82Å; S161-A165 VanDerWaalsContact O-N 3.16Å
162D69.2Low81.7Confident112 Ų112111.6 Ų111.660%0.59962%0.62SS**Hα-helixtrans-65.9-28.6176-62.4-31.3000113.4S158S158-D162 VanDerWaalsContact O-CG 3.29Å; S158-D162 PolarHBondContact O-N 2.94Å
163L64.9Low80.8Confident133 Ų133115.5 Ų115.570%0.69663%0.63SS**THydrogen-bonded Turntrans-81.3-15.8176.4-72.7169.7000113.7K159 R160 S161K159-L163 HydrophobicContact CG-CD1 4.39Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.49Å; K159-L163 PolarHBondContact O-N 3.05Å; R160-L163 PolarHBondContact O-N 2.68Å; S161-L163 VanDerWaalsContact C-N 3.3Å; S161-L163 PolarHBondContact O-N 2.95Å
164L60.9Low79.6Confident140 Ų140116.8 Ų116.873%0.73364%0.639SS**THydrogen-bonded Turntrans-105.4-7.2-178.5-71173000113R160 S161R160-L164 HydrophobicContact CG-CD1 4.09Å; R160-L164 WeakPolarHBondContact O-CG 3.4Å; R160-L164 PolarHBondContact O-N 2.72Å; S161-L164 PolarHBondContact O-N 2.92Å
165A51.8Low78.1Confident139 Ų139118.6 Ų118.6100%1.14964%0.644SS**  trans-91.90170.300000110.8S161S161-A165 PolarHBondContact O-N 2.82Å; S161-A165 VanDerWaalsContact O-N 3.16Å

Retrieved 165 of 165 residues in 126.8 ms (Link to these results)