A0A3Q0KVL2_SCHMA Loading...

Conserved oligomeric Golgi complex subunit 7 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KVL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,068 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
1D48.2Very low67.3Low182 Ų182106.3 Ų106.397%0.97358%0.577SS**  097.40-77.1-14.5000112.1
2F57Low68Low94 Ų94107.3 Ų107.341%0.41257%0.574SS.*  trans-93.69.6178.5-68.2-91.4000113.1R4 F5 Q44F2-R4 PolarHBondContact O-N 3.11Å; F2-R4 VanDerWaalsContact O-N 3.08Å; F2-F5 HydrophobicContact CB-CD2 3.88Å; F2-F5 HydrophobicContact CB-CE2 4.46Å; F2-F5 AromaticContact CD1-CD2 3.3Å; F2-F5 HydrophobicContact CD1-CD2 3.3Å; F2-F5 AromaticContact CD1-CE2 3.13Å; F2-F5 HydrophobicContact CD1-CE2 3.13Å; F2-F5 HydrophobicContact CD1-CG 4.26Å; F2-F5 AromaticContact CD1-CZ 4Å; F2-F5 HydrophobicContact CD1-CZ 4Å; F2-F5 HydrophobicContact CE1-CD2 4.19Å; F2-F5 AromaticContact CE1-CE2 3.57Å; F2-F5 HydrophobicContact CE1-CE2 3.57Å; F2-F5 HydrophobicContact CE1-CZ 4.09Å; F2-F5 HydrophobicContact CG-CD2 4.02Å; F2-F5 HydrophobicContact CG-CE2 4.13Å; F2-F5 PolarHBondContact O-N 2.76Å; F2-Q44 HydrophobicContact CE2-CG 4.32Å; F2-Q44 HydrophobicContact CZ-CG 4.01Å
3S64.5Low68.6Low79 Ų79104.4 Ų104.455%0.55256%0.563SS**G310 helixtrans-55.7-26.3173.252.50000112.7F5 A6S3-F5 VanDerWaalsContact C-N 3.34Å; S3-F5 PolarHBondContact O-N 3.07Å; S3-A6 PolarHBondContact O-N 2.7Å
4R61.8Low69.2Low118 Ų118104.7 Ų104.745%0.44556%0.559SS.*G310 helixtrans-66.8-28.1174.2-66.1-175178.6-168.8-6113.8F2 A6 F10 E18F2-R4 PolarHBondContact O-N 3.11Å; F2-R4 VanDerWaalsContact O-N 3.08Å; R4-A6 VanDerWaalsContact C-N 3.34Å; R4-F10 WeakPolarHBondContact O-CD2 3.46Å; R4-E18 IonicContact CZ-OE2 2.77Å; R4-E18 IonicContact NH1-OE2 2.88Å; R4-E18 PolarHBondContact NH1-OE2 3.1Å
5F69.3Low69.9Low72 Ų72100.3 Ų100.332%0.31653%0.531SS..G310 helixtrans-78.8-18.2178.1-66.5-93.7000113F2 S3 F10 W15F2-F5 HydrophobicContact CB-CD2 3.88Å; F2-F5 HydrophobicContact CB-CE2 4.46Å; F2-F5 AromaticContact CD1-CD2 3.3Å; F2-F5 HydrophobicContact CD1-CD2 3.3Å; F2-F5 AromaticContact CD1-CE2 3.13Å; F2-F5 HydrophobicContact CD1-CE2 3.13Å; F2-F5 HydrophobicContact CD1-CG 4.26Å; F2-F5 AromaticContact CD1-CZ 4Å; F2-F5 HydrophobicContact CD1-CZ 4Å; F2-F5 HydrophobicContact CE1-CD2 4.19Å; F2-F5 AromaticContact CE1-CE2 3.57Å; F2-F5 HydrophobicContact CE1-CE2 3.57Å; F2-F5 HydrophobicContact CE1-CZ 4.09Å; F2-F5 HydrophobicContact CG-CD2 4.02Å; F2-F5 HydrophobicContact CG-CE2 4.13Å; F2-F5 PolarHBondContact O-N 2.76Å; S3-F5 VanDerWaalsContact C-N 3.34Å; S3-F5 PolarHBondContact O-N 3.07Å; F5-F10 AromaticContact CD1-CE1 3.91Å; F5-F10 HydrophobicContact CD1-CE1 3.91Å; F5-F10 AromaticContact CD1-CE2 3.82Å; F5-F10 HydrophobicContact CD1-CE2 3.82Å; F5-F10 AromaticContact CD1-CZ 3.48Å; F5-F10 HydrophobicContact CD1-CZ 3.48Å; F5-F10 VanDerWaalsContact CD1-CZ 3.48Å; F5-F10 HydrophobicContact CE1-CE1 4.1Å; F5-F10 AromaticContact CE1-CE2 3.94Å; F5-F10 HydrophobicContact CE1-CE2 3.94Å; F5-F10 AromaticContact CE1-CZ 3.4Å; F5-F10 HydrophobicContact CE1-CZ 3.4Å; F5-F10 HydrophobicContact CG-CE2 4.21Å; F5-F10 HydrophobicContact CG-CZ 4.31Å; F5-F10 HydrophobicContact CZ-CE2 4.4Å; F5-F10 HydrophobicContact CZ-CZ 4.17Å; F5-W15 HydrophobicContact CE2-CZ2 4.27Å; F5-W15 HydrophobicContact CZ-CD2 4.27Å; F5-W15 AromaticContact CZ-CE2 3.74Å; F5-W15 HydrophobicContact CZ-CH2 4.24Å; F5-W15 AromaticContact CZ-CZ2 3.73Å; F5-W15 HydrophobicContact CZ-CZ2 3.73Å
6A65.7Low70.2Confident89 Ų8998.6 Ų98.674%0.73652%0.521SS*.G310 helixtrans-90.5-0.9178.100000113.3S3 R4S3-A6 PolarHBondContact O-N 2.7Å; R4-A6 VanDerWaalsContact C-N 3.34Å
7Q75.3Confident70.6Confident117 Ų11797.8 Ų97.855%0.54752%0.517SS..SBendtrans-84.3135.7177.4-69.8175.2-23.200110D9 F10Q7-D9 PolarHBondContact O-N 3.3Å; Q7-F10 WeakPolarHBondContact O-CB 3.38Å; Q7-F10 PolarHBondContact O-N 2.82Å
8S72.1Confident70.8Confident120 Ų12096.7 Ų96.784%0.83951%0.509SS*.THydrogen-bonded Turntrans-55.5-22.1175.948.30000113.6
9D73.5Confident70.8Confident137 Ų13793.2 Ų93.273%0.73349%0.492SS*.THydrogen-bonded Turntrans-104.115.6-170.3-47.8-6.3000112Q7 N11Q7-D9 PolarHBondContact O-N 3.3Å; D9-N11 PolarHBondContact O-N 2.87Å; D9-N11 VanDerWaalsContact O-N 3.12Å
10F75.3Confident70.8Confident73 Ų7391.1 Ų91.132%0.3248%0.481SS..  trans-61.8114.1-176.1177.7-104.5000112R4 F5 Q7 H12 W15R4-F10 WeakPolarHBondContact O-CD2 3.46Å; F5-F10 AromaticContact CD1-CE1 3.91Å; F5-F10 HydrophobicContact CD1-CE1 3.91Å; F5-F10 AromaticContact CD1-CE2 3.82Å; F5-F10 HydrophobicContact CD1-CE2 3.82Å; F5-F10 AromaticContact CD1-CZ 3.48Å; F5-F10 HydrophobicContact CD1-CZ 3.48Å; F5-F10 VanDerWaalsContact CD1-CZ 3.48Å; F5-F10 HydrophobicContact CE1-CE1 4.1Å; F5-F10 AromaticContact CE1-CE2 3.94Å; F5-F10 HydrophobicContact CE1-CE2 3.94Å; F5-F10 AromaticContact CE1-CZ 3.4Å; F5-F10 HydrophobicContact CE1-CZ 3.4Å; F5-F10 HydrophobicContact CG-CE2 4.21Å; F5-F10 HydrophobicContact CG-CZ 4.31Å; F5-F10 HydrophobicContact CZ-CE2 4.4Å; F5-F10 HydrophobicContact CZ-CZ 4.17Å; Q7-F10 WeakPolarHBondContact O-CB 3.38Å; Q7-F10 PolarHBondContact O-N 2.82Å; F10-H12 HydrophobicContact CE1-CB 4.2Å; F10-W15 HydrophobicContact CE2-CB 3.9Å; F10-W15 AromaticContact CE2-CG 3.88Å; F10-W15 HydrophobicContact CE2-CG 3.88Å; F10-W15 HydrophobicContact CZ-CB 4.12Å; F10-W15 HydrophobicContact CZ-CD2 4.45Å; F10-W15 HydrophobicContact CZ-CG 4.13Å
11N77.4Confident70.8Confident88 Ų8893.9 Ų93.947%0.47149%0.489SS..  trans-104.9107.9175.2-174.7-30.5000110.6D9 V13 H14 W15D9-N11 PolarHBondContact O-N 2.87Å; D9-N11 VanDerWaalsContact O-N 3.12Å; N11-V13 VanDerWaalsContact C-N 3.28Å; N11-V13 PolarHBondContact O-N 3.44Å; N11-V13 WeakPolarHBondContact OD1-CB 3.29Å; N11-V13 PolarHBondContact OD1-N 3.43Å; N11-H14 HydrophobicContact CB-CB 3.87Å; N11-H14 WeakPolarHBondContact O-CB 3.15Å; N11-H14 PolarHBondContact O-N 3.44Å; N11-H14 VanDerWaalsContact O-N 3.16Å; N11-H14 PolarHBondContact OD1-N 3.32Å; N11-H14 VanDerWaalsContact OD1-N 3.16Å; N11-W15 PolarHBondContact O-N 3.46Å
12H75.4Confident71.5Confident118 Ų11889.1 Ų89.155%0.54647%0.469SS..Hα-helixtrans-57-38-179.964.9-83.8000113F10 W15 I16F10-H12 HydrophobicContact CE1-CB 4.2Å; H12-W15 PolarHBondContact O-N 3.22Å; H12-I16 WeakPolarHBondContact O-CB 3.18Å; H12-I16 WeakPolarHBondContact O-CD1 3.19Å; H12-I16 WeakPolarHBondContact O-CG1 3.26Å; H12-I16 PolarHBondContact O-N 3.18Å
13V76.8Confident71.7Confident70 Ų7089.3 Ų89.342%0.42447%0.47SS..Hα-helixtrans-67.8-43.2178.6-174.60000110.5N11 N17N11-V13 VanDerWaalsContact C-N 3.28Å; N11-V13 PolarHBondContact O-N 3.44Å; N11-V13 WeakPolarHBondContact OD1-CB 3.29Å; N11-V13 PolarHBondContact OD1-N 3.43Å; V13-N17 VanDerWaalsContact O-CB 3.3Å; V13-N17 WeakPolarHBondContact O-CB 3.4Å; V13-N17 PolarHBondContact O-N 2.82Å; V13-N17 PolarHBondContact O-ND2 3.48Å; V13-N17 VanDerWaalsContact O-ND2 3.13Å
14H76.8Confident71.4Confident109 Ų10991.1 Ų91.151%0.50548%0.478SS..Hα-helixtrans-63.3-43.7176.6-172-89.5000111.2N11 N17 E18N11-H14 HydrophobicContact CB-CB 3.87Å; N11-H14 WeakPolarHBondContact O-CB 3.15Å; N11-H14 PolarHBondContact O-N 3.44Å; N11-H14 VanDerWaalsContact O-N 3.16Å; N11-H14 PolarHBondContact OD1-N 3.32Å; N11-H14 VanDerWaalsContact OD1-N 3.16Å; H14-N17 PolarHBondContact O-N 3.33Å; H14-E18 IonicContact CE1-OE1 2.63Å; H14-E18 PolarHBondContact CE1-OE1 3.17Å; H14-E18 IonicContact CE1-OE2 3.6Å; H14-E18 IonicContact ND1-OE2 3.47Å; H14-E18 WeakPolarHBondContact O-CB 3.45Å; H14-E18 WeakPolarHBondContact O-CG 3.38Å; H14-E18 PolarHBondContact O-N 2.88Å
15W79.8Confident71.3Confident39 Ų3990.9 Ų90.915%0.14850%0.495CS..Hα-helixtrans-64-45.4178.5-178.783.4000112.6F5 F10 N11 H12 E18 T19 L37 L41F5-W15 HydrophobicContact CE2-CZ2 4.27Å; F5-W15 HydrophobicContact CZ-CD2 4.27Å; F5-W15 AromaticContact CZ-CE2 3.74Å; F5-W15 HydrophobicContact CZ-CH2 4.24Å; F5-W15 AromaticContact CZ-CZ2 3.73Å; F5-W15 HydrophobicContact CZ-CZ2 3.73Å; F10-W15 HydrophobicContact CE2-CB 3.9Å; F10-W15 AromaticContact CE2-CG 3.88Å; F10-W15 HydrophobicContact CE2-CG 3.88Å; F10-W15 HydrophobicContact CZ-CB 4.12Å; F10-W15 HydrophobicContact CZ-CD2 4.45Å; F10-W15 HydrophobicContact CZ-CG 4.13Å; N11-W15 PolarHBondContact O-N 3.46Å; H12-W15 PolarHBondContact O-N 3.22Å; W15-E18 PolarHBondContact O-N 2.99Å; W15-T19 HydrophobicContact CD2-CG2 4.24Å; W15-T19 HydrophobicContact CZ2-CG2 3.97Å; W15-T19 WeakPolarHBondContact O-CB 3.45Å; W15-T19 WeakPolarHBondContact O-CG2 3.39Å; W15-T19 PolarHBondContact O-N 2.88Å; W15-T19 PolarHBondContact O-OG1 2.8Å; W15-L37 HydrophobicContact CH2-CD1 4.48Å; W15-L37 HydrophobicContact CH2-CD2 3.84Å; W15-L37 HydrophobicContact CH2-CG 4.38Å; W15-L37 HydrophobicContact CZ3-CD2 4.15Å; W15-L41 HydrophobicContact CH2-CD1 3.36Å; W15-L41 HydrophobicContact CH2-CG 4.49Å; W15-L41 HydrophobicContact CZ2-CD1 4.42Å; W15-L41 HydrophobicContact CZ3-CD1 3.66Å
16I74.4Confident70.9Confident73 Ų7391.4 Ų91.437%0.37450%0.501SS..Hα-helixtrans-60.2-46.9174.8-69.3165.9000110.1H12 E18 T19 L20H12-I16 WeakPolarHBondContact O-CB 3.18Å; H12-I16 WeakPolarHBondContact O-CD1 3.19Å; H12-I16 WeakPolarHBondContact O-CG1 3.26Å; H12-I16 PolarHBondContact O-N 3.18Å; I16-E18 PolarHBondContact O-N 3.36Å; I16-T19 WeakPolarHBondContact CA-OG1 3.47Å; I16-T19 PolarHBondContact O-N 3.46Å; I16-T19 PolarHBondContact O-OG1 2.83Å; I16-T19 VanDerWaalsContact O-OG1 3.05Å; I16-L20 HydrophobicContact CG2-CD1 3.57Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.42Å; I16-L20 PolarHBondContact O-N 2.69Å
17N77.7Confident70.7Confident85 Ų8591.8 Ų91.846%0.45550%0.496SS..Hα-helixtrans-67-36.4-179-72.3-27.5000112.8V13 H14 K21V13-N17 VanDerWaalsContact O-CB 3.3Å; V13-N17 WeakPolarHBondContact O-CB 3.4Å; V13-N17 PolarHBondContact O-N 2.82Å; V13-N17 PolarHBondContact O-ND2 3.48Å; V13-N17 VanDerWaalsContact O-ND2 3.13Å; H14-N17 PolarHBondContact O-N 3.33Å; N17-K21 VanDerWaalsContact O-CB 3.27Å; N17-K21 WeakPolarHBondContact O-CB 3.26Å; N17-K21 WeakPolarHBondContact O-CG 3.32Å; N17-K21 PolarHBondContact O-N 3.15Å
18E74.4Confident70.2Confident77 Ų7792.7 Ų92.736%0.3650%0.504SS..Hα-helixtrans-67.6-45.2173.8-83-162.2151.200112.3R4 H14 W15 I16 L20 K21R4-E18 IonicContact CZ-OE2 2.77Å; R4-E18 IonicContact NH1-OE2 2.88Å; R4-E18 PolarHBondContact NH1-OE2 3.1Å; H14-E18 IonicContact CE1-OE1 2.63Å; H14-E18 PolarHBondContact CE1-OE1 3.17Å; H14-E18 IonicContact CE1-OE2 3.6Å; H14-E18 IonicContact ND1-OE2 3.47Å; H14-E18 WeakPolarHBondContact O-CB 3.45Å; H14-E18 WeakPolarHBondContact O-CG 3.38Å; H14-E18 PolarHBondContact O-N 2.88Å; W15-E18 PolarHBondContact O-N 2.99Å; I16-E18 PolarHBondContact O-N 3.36Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.34Å; E18-K21 PolarHBondContact O-N 2.84Å
19T70.4Confident69.8Low31 Ų3192.5 Ų92.519%0.1949%0.49CS..Hα-helixtrans-69.3-28.8-178.948.30000112.4W15 I16 S22 F23W15-T19 HydrophobicContact CD2-CG2 4.24Å; W15-T19 HydrophobicContact CZ2-CG2 3.97Å; W15-T19 WeakPolarHBondContact O-CB 3.45Å; W15-T19 WeakPolarHBondContact O-CG2 3.39Å; W15-T19 PolarHBondContact O-N 2.88Å; W15-T19 PolarHBondContact O-OG1 2.8Å; I16-T19 WeakPolarHBondContact CA-OG1 3.47Å; I16-T19 PolarHBondContact O-N 3.46Å; I16-T19 PolarHBondContact O-OG1 2.83Å; I16-T19 VanDerWaalsContact O-OG1 3.05Å; T19-S22 PolarHBondContact O-OG 3.31Å; T19-F23 WeakPolarHBondContact O-CD2 3.19Å; T19-F23 WeakPolarHBondContact O-CE2 3.39Å
20L71.3Confident69.6Low51 Ų5189 Ų8927%0.26747%0.471SS..Hα-helixtrans-87.4-23.2175.8-63.6176.7000113.7I16 E18 S22 F23 L30 V34I16-L20 HydrophobicContact CG2-CD1 3.57Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.42Å; I16-L20 PolarHBondContact O-N 2.69Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.34Å; L20-S22 PolarHBondContact O-N 2.87Å; L20-F23 PolarHBondContact O-N 3.46Å; L20-F23 VanDerWaalsContact O-N 3.15Å; L20-L30 HydrophobicContact CD2-CD1 4.25Å; L20-V34 HydrophobicContact CD2-CG2 3.57Å
21K69.1Low69.5Low150 Ų15092.3 Ų92.365%0.65249%0.487SS*.Hα-helixtrans-59.3-32.3178.2-96.6172.7-178.1178.70113.2N17 E18 F23 T24N17-K21 VanDerWaalsContact O-CB 3.27Å; N17-K21 WeakPolarHBondContact O-CB 3.26Å; N17-K21 WeakPolarHBondContact O-CG 3.32Å; N17-K21 PolarHBondContact O-N 3.15Å; E18-K21 PolarHBondContact O-N 2.84Å; K21-F23 PolarHBondContact O-N 3.48Å; K21-T24 PolarHBondContact O-OG1 3.38Å
22S63.3Low69.3Low81 Ų8194.6 Ų94.657%0.56650%0.495SS*.THydrogen-bonded Turntrans-70.6-4179.2450000114.8T19 L20T19-S22 PolarHBondContact O-OG 3.31Å; L20-S22 PolarHBondContact O-N 2.87Å
23F60.8Low69Low99 Ų9994.3 Ų94.343%0.43449%0.493SS..THydrogen-bonded Turntrans-12825.2-168.3-56.2-67.7000114.7T19 L20 K21 S25 L30T19-F23 WeakPolarHBondContact O-CD2 3.19Å; T19-F23 WeakPolarHBondContact O-CE2 3.39Å; L20-F23 PolarHBondContact O-N 3.46Å; L20-F23 VanDerWaalsContact O-N 3.15Å; K21-F23 PolarHBondContact O-N 3.48Å; F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 2.89Å; F23-S25 VanDerWaalsContact O-N 3.15Å; F23-L30 HydrophobicContact CB-CD1 4.47Å
24T58.3Low69Low117 Ų11793.3 Ų93.372%0.71849%0.487SS*.THydrogen-bonded Turntrans-78.812.9-165.736.40000117.3K21K21-T24 PolarHBondContact O-OG1 3.38Å
25S59.6Low69.2Low113 Ų11391.7 Ų91.779%0.7949%0.488SS*.THydrogen-bonded Turntrans-104.8-13.3-170.9-550000116.9F23F23-S25 VanDerWaalsContact C-N 3.33Å; F23-S25 PolarHBondContact O-N 2.89Å; F23-S25 VanDerWaalsContact O-N 3.15Å
26D60.8Low69.3Low83 Ų8393.4 Ų93.444%0.44450%0.499SS..  trans-147.7121.1176.7-93.6-33.3000111.9N28 Q29 L30D26-N28 VanDerWaalsContact C-N 3.3Å; D26-N28 PolarHBondContact O-N 3.28Å; D26-Q29 HydrophobicContact CB-CB 3.95Å; D26-Q29 HydrophobicContact CB-CG 3.69Å; D26-Q29 PolarHBondContact O-N 2.83Å; D26-Q29 VanDerWaalsContact O-N 3.1Å; D26-Q29 PolarHBondContact OD2-NE2 3.45Å; D26-L30 PolarHBondContact O-N 2.9Å; D26-L30 VanDerWaalsContact O-N 3.14Å
27P63.1Low69.6Low97 Ų9792.4 Ų92.463%0.6350%0.495SS*.Hα-helixtrans-63.1-33.1-177.323.3-31.8000113.1Q29 L30 E31P27-Q29 VanDerWaalsContact C-N 3.34Å; P27-L30 WeakPolarHBondContact O-CB 3.4Å; P27-L30 PolarHBondContact O-N 2.67Å; P27-E31 PolarHBondContact O-N 3.17Å
28N63.1Low69.9Low135 Ų13591.5 Ų91.572%0.72249%0.492SS*.Hα-helixtrans-73.2-25.8177.1-69-8.5000112.9D26D26-N28 VanDerWaalsContact C-N 3.3Å; D26-N28 PolarHBondContact O-N 3.28Å
29Q65.7Low70.4Confident116 Ų11692.9 Ų92.954%0.54250%0.502SS..Hα-helixtrans-79.3-29.8174.9-64-172.229.200111.5D26 P27 K33D26-Q29 HydrophobicContact CB-CB 3.95Å; D26-Q29 HydrophobicContact CB-CG 3.69Å; D26-Q29 PolarHBondContact O-N 2.83Å; D26-Q29 VanDerWaalsContact O-N 3.1Å; D26-Q29 PolarHBondContact OD2-NE2 3.45Å; P27-Q29 VanDerWaalsContact C-N 3.34Å; Q29-K33 VanDerWaalsContact O-CB 3.31Å; Q29-K33 WeakPolarHBondContact O-CB 3.27Å; Q29-K33 WeakPolarHBondContact O-CG 3.48Å; Q29-K33 PolarHBondContact O-N 2.86Å
30L67.9Low71Confident65 Ų6597.1 Ų97.134%0.3452%0.519SS..Hα-helixtrans-63-51178.3-171.378.2000111.6L20 F23 D26 P27 Q32 K33 V34L20-L30 HydrophobicContact CD2-CD1 4.25Å; F23-L30 HydrophobicContact CB-CD1 4.47Å; D26-L30 PolarHBondContact O-N 2.9Å; D26-L30 VanDerWaalsContact O-N 3.14Å; P27-L30 WeakPolarHBondContact O-CB 3.4Å; P27-L30 PolarHBondContact O-N 2.67Å; L30-Q32 VanDerWaalsContact C-N 3.33Å; L30-Q32 PolarHBondContact O-N 3.3Å; L30-K33 PolarHBondContact O-N 3.41Å; L30-V34 HydrophobicContact CG-CG2 4.29Å; L30-V34 WeakPolarHBondContact O-CB 3.49Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 3.48Å
31E72.9Confident71.5Confident141 Ų14197.7 Ų97.766%0.65952%0.522SS*.Hα-helixtrans-62-41.1-179.1-71.9-173.2168.200112.4P27 S35P27-E31 PolarHBondContact O-N 3.17Å; E31-S35 WeakPolarHBondContact O-CB 3.38Å; E31-S35 PolarHBondContact O-N 2.86Å; E31-S35 PolarHBondContact O-OG 2.81Å
32Q74.8Confident72.2Confident136 Ų13696.3 Ų96.364%0.63652%0.518SS*.Hα-helixtrans-65.9-42.8178.4-167.1171.47.300111.2L30 S35 D36L30-Q32 VanDerWaalsContact C-N 3.33Å; L30-Q32 PolarHBondContact O-N 3.3Å; Q32-S35 WeakPolarHBondContact O-CB 3.46Å; Q32-S35 PolarHBondContact O-N 3.37Å; Q32-D36 PolarHBondContact O-N 3.25Å
33K67.8Low73.2Confident112 Ų11295.6 Ų95.649%0.48751%0.51SS..Hα-helixtrans-74.2-32.5179.1-74.8-72.4177.4-164.10113.8Q29 L30 S35 D36 L37Q29-K33 VanDerWaalsContact O-CB 3.31Å; Q29-K33 WeakPolarHBondContact O-CB 3.27Å; Q29-K33 WeakPolarHBondContact O-CG 3.48Å; Q29-K33 PolarHBondContact O-N 2.86Å; L30-K33 PolarHBondContact O-N 3.41Å; K33-S35 VanDerWaalsContact C-N 3.32Å; K33-D36 IonicContact NZ-OD2 3.32Å; K33-D36 PolarHBondContact O-N 2.84Å; K33-L37 WeakPolarHBondContact O-CB 3.33Å; K33-L37 PolarHBondContact O-N 3.45Å
34V77.5Confident74.1Confident50 Ų5094.3 Ų94.330%0.30351%0.506SS..Hα-helixtrans-63.4-43.2170.2169.30000109.7L20 L30 L37 V38L20-V34 HydrophobicContact CD2-CG2 3.57Å; L30-V34 HydrophobicContact CG-CG2 4.29Å; L30-V34 WeakPolarHBondContact O-CB 3.49Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 3.48Å; V34-L37 PolarHBondContact O-N 2.85Å; V34-V38 HydrophobicContact CG1-CG2 4.36Å; V34-V38 WeakPolarHBondContact O-CB 3.48Å; V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.42Å; V34-V38 PolarHBondContact O-N 3.42Å
35S80.5Confident75.4Confident75 Ų7594.3 Ų94.352%0.52450%0.499SS..Hα-helixtrans-62.4-42.3175.6-580000111.7E31 Q32 K33 V38 L39E31-S35 WeakPolarHBondContact O-CB 3.38Å; E31-S35 PolarHBondContact O-N 2.86Å; E31-S35 PolarHBondContact O-OG 2.81Å; Q32-S35 WeakPolarHBondContact O-CB 3.46Å; Q32-S35 PolarHBondContact O-N 3.37Å; K33-S35 VanDerWaalsContact C-N 3.32Å; S35-V38 PolarHBondContact O-N 2.83Å; S35-L39 WeakPolarHBondContact O-CB 3.26Å; S35-L39 PolarHBondContact O-N 3.38Å
36D81.9Confident76.6Confident74 Ų7495 Ų9540%0.39649%0.488SS..Hα-helixtrans-60-44.3173-71.5-14.7000111.8Q32 K33 L39 Q40Q32-D36 PolarHBondContact O-N 3.25Å; K33-D36 IonicContact NZ-OD2 3.32Å; K33-D36 PolarHBondContact O-N 2.84Å; D36-L39 PolarHBondContact O-N 3.36Å; D36-Q40 WeakPolarHBondContact O-CB 3.46Å; D36-Q40 PolarHBondContact O-N 3.23Å
37L80.8Confident77.8Confident52 Ų5294.1 Ų94.127%0.27248%0.483SS..Hα-helixtrans-66-44.5-179.7-169.4103.9000111.6W15 K33 V34 L39 Q40 L41W15-L37 HydrophobicContact CH2-CD1 4.48Å; W15-L37 HydrophobicContact CH2-CD2 3.84Å; W15-L37 HydrophobicContact CH2-CG 4.38Å; W15-L37 HydrophobicContact CZ3-CD2 4.15Å; K33-L37 WeakPolarHBondContact O-CB 3.33Å; K33-L37 PolarHBondContact O-N 3.45Å; V34-L37 PolarHBondContact O-N 2.85Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-Q40 PolarHBondContact O-N 2.99Å; L37-L41 WeakPolarHBondContact O-CB 3.26Å; L37-L41 PolarHBondContact O-N 3.47Å
38V83.4Confident78.7Confident67 Ų6794.1 Ų94.141%0.40648%0.481SS..Hα-helixtrans-61.3-44.3175.7169.50000110.2V34 S35 Q40 L41 Q42V34-V38 HydrophobicContact CG1-CG2 4.36Å; V34-V38 WeakPolarHBondContact O-CB 3.48Å; V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.42Å; V34-V38 PolarHBondContact O-N 3.42Å; S35-V38 PolarHBondContact O-N 2.83Å; V38-Q40 VanDerWaalsContact C-N 3.3Å; V38-Q40 PolarHBondContact O-N 2.86Å; V38-L41 PolarHBondContact O-N 3.45Å; V38-Q42 HydrophobicContact CG1-CG 4.35Å; V38-Q42 WeakPolarHBondContact O-CB 3.49Å; V38-Q42 WeakPolarHBondContact O-CG 3.48Å; V38-Q42 PolarHBondContact O-N 3.45Å
39L85.1Confident79.8Confident106 Ų10692.5 Ų92.556%0.55547%0.47SS*.Hα-helixtrans-61.6-41176.5-17270.1000111.2S35 D36 L37 Q42 T43S35-L39 WeakPolarHBondContact O-CB 3.26Å; S35-L39 PolarHBondContact O-N 3.38Å; D36-L39 PolarHBondContact O-N 3.36Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L39-Q42 PolarHBondContact O-N 3.07Å; L39-T43 WeakPolarHBondContact O-CB 3.44Å; L39-T43 PolarHBondContact O-N 2.83Å; L39-T43 PolarHBondContact O-OG1 3.33Å
40Q82.5Confident80.9Confident120 Ų12092 Ų9256%0.56147%0.468SS*.Hα-helixtrans-65.5-43.7176.9-163.6173.110.600111.8D36 L37 V38 T43 Q44D36-Q40 WeakPolarHBondContact O-CB 3.46Å; D36-Q40 PolarHBondContact O-N 3.23Å; L37-Q40 PolarHBondContact O-N 2.99Å; V38-Q40 VanDerWaalsContact C-N 3.3Å; V38-Q40 PolarHBondContact O-N 2.86Å; Q40-T43 PolarHBondContact O-N 2.83Å; Q40-Q44 VanDerWaalsContact O-CG 3.26Å; Q40-Q44 WeakPolarHBondContact O-CG 3.18Å; Q40-Q44 PolarHBondContact O-N 2.91Å
41L82.8Confident81.9Confident62 Ų6293 Ų9333%0.32548%0.477SS..Hα-helixtrans-64.4-42.3176.6-120.6152.6000112.1W15 L37 V38 Q44 M45W15-L41 HydrophobicContact CH2-CD1 3.36Å; W15-L41 HydrophobicContact CH2-CG 4.49Å; W15-L41 HydrophobicContact CZ2-CD1 4.42Å; W15-L41 HydrophobicContact CZ3-CD1 3.66Å; L37-L41 WeakPolarHBondContact O-CB 3.26Å; L37-L41 PolarHBondContact O-N 3.47Å; V38-L41 PolarHBondContact O-N 3.45Å; L41-Q44 PolarHBondContact O-N 3.2Å; L41-M45 VanDerWaalsContact O-CB 3.31Å; L41-M45 WeakPolarHBondContact O-CB 3.4Å; L41-M45 PolarHBondContact O-N 3.01Å
42Q84.3Confident82.5Confident121 Ų12191.8 Ų91.857%0.56547%0.474SS*.Hα-helixtrans-64.8-40.2175.4-76.6179.2-18.900112V38 L39 M45 K46V38-Q42 HydrophobicContact CG1-CG 4.35Å; V38-Q42 WeakPolarHBondContact O-CB 3.49Å; V38-Q42 WeakPolarHBondContact O-CG 3.48Å; V38-Q42 PolarHBondContact O-N 3.45Å; L39-Q42 PolarHBondContact O-N 3.07Å; Q42-M45 PolarHBondContact O-N 3.24Å; Q42-K46 WeakPolarHBondContact O-CB 3.24Å; Q42-K46 PolarHBondContact O-N 2.75Å
43T84.5Confident83.1Confident67 Ų6789.9 Ų89.941%0.41147%0.468SS..Hα-helixtrans-64.1-44.6176.7-52.50000110.5L39 Q40 K46 D47L39-T43 WeakPolarHBondContact O-CB 3.44Å; L39-T43 PolarHBondContact O-N 2.83Å; L39-T43 PolarHBondContact O-OG1 3.33Å; Q40-T43 PolarHBondContact O-N 2.83Å; T43-K46 WeakPolarHBondContact O-CB 3.28Å; T43-K46 PolarHBondContact O-N 3.37Å; T43-D47 PolarHBondContact O-N 3.14Å
44Q79.7Confident84.1Confident72 Ų7289.6 Ų89.634%0.33647%0.469SS..Hα-helixtrans-68.8-38.7177.5-67.4-65.8-6500112.8F2 Q40 L41 K46 D47 V48F2-Q44 HydrophobicContact CE2-CG 4.32Å; F2-Q44 HydrophobicContact CZ-CG 4.01Å; Q40-Q44 VanDerWaalsContact O-CG 3.26Å; Q40-Q44 WeakPolarHBondContact O-CG 3.18Å; Q40-Q44 PolarHBondContact O-N 2.91Å; L41-Q44 PolarHBondContact O-N 3.2Å; Q44-K46 VanDerWaalsContact C-N 3.28Å; Q44-K46 PolarHBondContact O-N 2.85Å; Q44-D47 PolarHBondContact NE2-OD2 2.81Å; Q44-D47 PolarHBondContact O-N 3.41Å; Q44-V48 WeakPolarHBondContact O-CG2 3.49Å; Q44-V48 PolarHBondContact O-N 3.2Å
45M84.8Confident84.4Confident117 Ų11790.6 Ų90.658%0.57648%0.475SS*.Hα-helixtrans-59.7-42.3172.6176.4176.6170.100110.6L41 Q42 V48 M49L41-M45 VanDerWaalsContact O-CB 3.31Å; L41-M45 WeakPolarHBondContact O-CB 3.4Å; L41-M45 PolarHBondContact O-N 3.01Å; Q42-M45 PolarHBondContact O-N 3.24Å; M45-V48 PolarHBondContact O-N 2.93Å; M45-M49 HydrophobicContact CE-SD 3.68Å; M45-M49 HydrophobicContact CG-SD 4.08Å; M45-M49 WeakPolarHBondContact O-CB 3.49Å; M45-M49 VanDerWaalsContact O-CG 3.31Å; M45-M49 WeakPolarHBondContact O-CG 3.37Å; M45-M49 PolarHBondContact O-N 3.44Å
46K85.1Confident84.5Confident127 Ų12790 Ų9055%0.55247%0.47SS*.Hα-helixtrans-64.4-42.8175.3-172.5-179.5178.1-177.10111.8Q42 T43 Q44 M49 Q50Q42-K46 WeakPolarHBondContact O-CB 3.24Å; Q42-K46 PolarHBondContact O-N 2.75Å; T43-K46 WeakPolarHBondContact O-CB 3.28Å; T43-K46 PolarHBondContact O-N 3.37Å; Q44-K46 VanDerWaalsContact C-N 3.28Å; Q44-K46 PolarHBondContact O-N 2.85Å; K46-M49 PolarHBondContact O-N 3.46Å; K46-Q50 WeakPolarHBondContact O-CB 3.41Å; K46-Q50 VanDerWaalsContact O-CG 3.26Å; K46-Q50 WeakPolarHBondContact O-CG 3.29Å; K46-Q50 PolarHBondContact O-N 2.78Å
47D84.9Confident84.7Confident65 Ų6592.5 Ų92.535%0.34848%0.48SS..Hα-helixtrans-63.7-42.3176.5-69.7-15.9000111.6T43 Q44 Q50 T51T43-D47 PolarHBondContact O-N 3.14Å; Q44-D47 PolarHBondContact NE2-OD2 2.81Å; Q44-D47 PolarHBondContact O-N 3.41Å; D47-Q50 PolarHBondContact O-N 3.39Å; D47-T51 WeakPolarHBondContact O-CB 3.38Å; D47-T51 PolarHBondContact O-N 3.17Å; D47-T51 PolarHBondContact O-OG1 2.73Å
48V83.4Confident85Confident96 Ų9695.2 Ų95.258%0.58249%0.491SS*.Hα-helixtrans-65.8-44.7176.3171.40000111.1Q44 M45 Q50 T51 L52Q44-V48 WeakPolarHBondContact O-CG2 3.49Å; Q44-V48 PolarHBondContact O-N 3.2Å; M45-V48 PolarHBondContact O-N 2.93Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 2.8Å; V48-T51 PolarHBondContact O-N 3.37Å; V48-L52 WeakPolarHBondContact O-CB 3.33Å; V48-L52 PolarHBondContact O-N 3.49Å
49M86.5Confident85Confident102 Ų10294.4 Ų94.450%0.50249%0.491SS..Hα-helixtrans-62.3-41.9175.1-76.2177.168.300111.4M45 K46 T51 L52 D53M45-M49 HydrophobicContact CE-SD 3.68Å; M45-M49 HydrophobicContact CG-SD 4.08Å; M45-M49 WeakPolarHBondContact O-CB 3.49Å; M45-M49 VanDerWaalsContact O-CG 3.31Å; M45-M49 WeakPolarHBondContact O-CG 3.37Å; M45-M49 PolarHBondContact O-N 3.44Å; K46-M49 PolarHBondContact O-N 3.46Å; M49-T51 VanDerWaalsContact C-N 3.35Å; M49-L52 PolarHBondContact O-N 3.42Å; M49-D53 WeakPolarHBondContact O-CB 3.2Å; M49-D53 PolarHBondContact O-N 2.87Å
50Q88.7Confident84.9Confident106 Ų10694.4 Ų94.450%0.49549%0.49SS..Hα-helixtrans-65.5-38175.7-77.4-177.8-12.700112.3K46 D47 V48 H54K46-Q50 WeakPolarHBondContact O-CB 3.41Å; K46-Q50 VanDerWaalsContact O-CG 3.26Å; K46-Q50 WeakPolarHBondContact O-CG 3.29Å; K46-Q50 PolarHBondContact O-N 2.78Å; D47-Q50 PolarHBondContact O-N 3.39Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 2.8Å; Q50-H54 WeakPolarHBondContact O-CB 3.2Å; Q50-H54 PolarHBondContact O-N 3.07Å
51T88.4Confident84.9Confident86 Ų8692.2 Ų92.253%0.52849%0.493SS..Hα-helixtrans-69-38.9176.7-50.50000111D47 V48 M49 H54 T55D47-T51 WeakPolarHBondContact O-CB 3.38Å; D47-T51 PolarHBondContact O-N 3.17Å; D47-T51 PolarHBondContact O-OG1 2.73Å; V48-T51 PolarHBondContact O-N 3.37Å; M49-T51 VanDerWaalsContact C-N 3.35Å; T51-H54 PolarHBondContact O-N 3.48Å; T51-T55 PolarHBondContact O-N 3.5Å; T51-T55 PolarHBondContact O-OG1 2.84Å
52L85.8Confident85.2Confident115 Ų11591.7 Ų91.760%0.60249%0.494SS*.Hα-helixtrans-66.9-46.1175.3-177.365.5000111.6V48 M49 H54 T55 C56V48-L52 WeakPolarHBondContact O-CB 3.33Å; V48-L52 PolarHBondContact O-N 3.49Å; M49-L52 PolarHBondContact O-N 3.42Å; L52-H54 VanDerWaalsContact C-N 3.29Å; L52-H54 PolarHBondContact O-N 2.96Å; L52-T55 WeakPolarHBondContact CA-OG1 3.2Å; L52-T55 PolarHBondContact O-N 3.39Å; L52-T55 PolarHBondContact O-OG1 3.36Å; L52-C56 WeakPolarHBondContact O-CB 3.38Å; L52-C56 PolarHBondContact O-N 3.43Å
53D87.1Confident85.1Confident95 Ų9590.3 Ų90.351%0.50849%0.49SS..Hα-helixtrans-61.9-40.1174.7-86.4-16.5000110.8M49 C56 Q57M49-D53 WeakPolarHBondContact O-CB 3.2Å; M49-D53 PolarHBondContact O-N 2.87Å; D53-C56 PolarHBondContact O-N 3.44Å; D53-Q57 VanDerWaalsContact O-CB 3.26Å; D53-Q57 WeakPolarHBondContact O-CB 3.37Å; D53-Q57 WeakPolarHBondContact O-CG 3.45Å; D53-Q57 PolarHBondContact O-N 2.87Å
54H87.8Confident85Confident106 Ų10690.4 Ų90.449%0.49149%0.491SS..Hα-helixtrans-65-47.1176.7-172.645.3000111.9Q50 T51 L52 C56 Q57 E58Q50-H54 WeakPolarHBondContact O-CB 3.2Å; Q50-H54 PolarHBondContact O-N 3.07Å; T51-H54 PolarHBondContact O-N 3.48Å; L52-H54 VanDerWaalsContact C-N 3.29Å; L52-H54 PolarHBondContact O-N 2.96Å; H54-C56 PolarHBondContact O-N 2.81Å; H54-Q57 PolarHBondContact O-N 2.9Å; H54-E58 IonicContact CE1-OE1 3.71Å; H54-E58 IonicContact NE2-OE1 3.53Å; H54-E58 WeakPolarHBondContact O-CB 3.35Å; H54-E58 WeakPolarHBondContact O-CG 3.4Å; H54-E58 PolarHBondContact O-N 3.24Å
55T85Confident85.2Confident71 Ų7194.2 Ų94.244%0.43650%0.503SS..Hα-helixtrans-66.3-35.9176.332.20000112.4T51 L52 E58 A59T51-T55 PolarHBondContact O-N 3.5Å; T51-T55 PolarHBondContact O-OG1 2.84Å; L52-T55 WeakPolarHBondContact CA-OG1 3.2Å; L52-T55 PolarHBondContact O-N 3.39Å; L52-T55 PolarHBondContact O-OG1 3.36Å; T55-E58 PolarHBondContact O-N 3.29Å; T55-A59 VanDerWaalsContact O-CB 3.31Å; T55-A59 WeakPolarHBondContact O-CB 3.26Å; T55-A59 PolarHBondContact O-N 3.44Å
56C82.9Confident85.1Confident63 Ų6391.9 Ų91.943%0.42650%0.495SS..Hα-helixtrans-68-41174.8-158.30000111L52 D53 H54 A59 I60L52-C56 WeakPolarHBondContact O-CB 3.38Å; L52-C56 PolarHBondContact O-N 3.43Å; D53-C56 PolarHBondContact O-N 3.44Å; H54-C56 PolarHBondContact O-N 2.81Å; C56-A59 PolarHBondContact O-N 2.95Å; C56-I60 WeakPolarHBondContact O-CB 3.41Å; C56-I60 WeakPolarHBondContact O-CG1 3.31Å; C56-I60 PolarHBondContact O-N 2.82Å
57Q85.1Confident85Confident127 Ų12790.5 Ų90.559%0.59349%0.493SS*.Hα-helixtrans-65.7-38.9173.8-75.9172.113.400112.3D53 H54 A61D53-Q57 VanDerWaalsContact O-CB 3.26Å; D53-Q57 WeakPolarHBondContact O-CB 3.37Å; D53-Q57 WeakPolarHBondContact O-CG 3.45Å; D53-Q57 PolarHBondContact O-N 2.87Å; H54-Q57 PolarHBondContact O-N 2.9Å; Q57-A61 WeakPolarHBondContact O-CB 3.38Å; Q57-A61 PolarHBondContact O-N 3.47Å
58E86.5Confident84.9Confident109 Ų10995.8 Ų95.851%0.50951%0.508SS..Hα-helixtrans-64.6-43.1172.4-76.2-173.2151.400111.6H54 T55 A61 S62H54-E58 IonicContact CE1-OE1 3.71Å; H54-E58 IonicContact NE2-OE1 3.53Å; H54-E58 WeakPolarHBondContact O-CB 3.35Å; H54-E58 WeakPolarHBondContact O-CG 3.4Å; H54-E58 PolarHBondContact O-N 3.24Å; T55-E58 PolarHBondContact O-N 3.29Å; E58-A61 PolarHBondContact O-N 2.98Å; E58-S62 WeakPolarHBondContact O-CB 3.31Å; E58-S62 PolarHBondContact O-N 2.68Å
59A83.6Confident85.1Confident49 Ų4995.5 Ų95.541%0.40550%0.501SS..Hα-helixtrans-61.7-47.5175.400000111T55 C56 A61 S62 I63T55-A59 VanDerWaalsContact O-CB 3.31Å; T55-A59 WeakPolarHBondContact O-CB 3.26Å; T55-A59 PolarHBondContact O-N 3.44Å; C56-A59 PolarHBondContact O-N 2.95Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A59-A61 PolarHBondContact O-N 3.41Å; A59-S62 PolarHBondContact O-N 3.36Å; A59-S62 VanDerWaalsContact O-N 3.1Å; A59-S62 PolarHBondContact O-OG 3.44Å; A59-I63 PolarHBondContact O-N 3.43Å; A59-I63 VanDerWaalsContact O-N 3.15Å
60I83.7Confident84.8Confident106 Ų10695.4 Ų95.454%0.54450%0.501SS..Hα-helixtrans-62.5-41.1176.1-68.8166000110.9C56 S62 I63 P64C56-I60 WeakPolarHBondContact O-CB 3.41Å; C56-I60 WeakPolarHBondContact O-CG1 3.31Å; C56-I60 PolarHBondContact O-N 2.82Å; I60-S62 PolarHBondContact O-N 2.92Å; I60-I63 PolarHBondContact O-N 3.24Å; I60-P64 WeakPolarHBondContact O-CD 3.46Å
61A82.8Confident84.5Confident74 Ų7494.2 Ų94.261%0.61250%0.498SS*.Hα-helixtrans-66.9-25175.900000112.7Q57 E58 A59Q57-A61 WeakPolarHBondContact O-CB 3.38Å; Q57-A61 PolarHBondContact O-N 3.47Å; E58-A61 PolarHBondContact O-N 2.98Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A59-A61 PolarHBondContact O-N 3.41Å
62S87.6Confident84.2Confident51 Ų5192.2 Ų92.236%0.35749%0.49SS..Hα-helixtrans-81.4-25.4176.379.90000113.8E58 A59 I60 R65 V66E58-S62 WeakPolarHBondContact O-CB 3.31Å; E58-S62 PolarHBondContact O-N 2.68Å; A59-S62 PolarHBondContact O-N 3.36Å; A59-S62 VanDerWaalsContact O-N 3.1Å; A59-S62 PolarHBondContact O-OG 3.44Å; I60-S62 PolarHBondContact O-N 2.92Å; S62-R65 CarbonylContact O-C 3.59Å; S62-R65 WeakPolarHBondContact O-CA 3.33Å; S62-R65 VanDerWaalsContact O-CB 3.31Å; S62-R65 WeakPolarHBondContact O-CB 3.38Å; S62-R65 PolarHBondContact O-N 3.39Å; S62-V66 WeakPolarHBondContact O-CG2 3.33Å; S62-V66 PolarHBondContact O-N 2.91Å
63I83.5Confident84.1Confident92 Ų9291.5 Ų91.547%0.47249%0.49SS..Hα-helixtrans-56.8-47.6-178.5-70.8168000112.7A59 I60 R65 V66 L67A59-I63 PolarHBondContact O-N 3.43Å; A59-I63 VanDerWaalsContact O-N 3.15Å; I60-I63 PolarHBondContact O-N 3.24Å; I63-R65 PolarHBondContact O-N 2.95Å; I63-V66 PolarHBondContact O-N 3.5Å; I63-L67 HydrophobicContact CG2-CD1 3.77Å; I63-L67 HydrophobicContact CG2-CG 4.17Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 3.39Å
64P81.9Confident83.9Confident69 Ų6993.3 Ų93.345%0.44849%0.49SS..Hα-helixtrans-64.6-23.1177-22.633.2000113.7I60 R68I60-P64 WeakPolarHBondContact O-CD 3.46Å; P64-R68 WeakPolarHBondContact O-CB 3.3Å; P64-R68 WeakPolarHBondContact O-CG 3.49Å; P64-R68 PolarHBondContact O-N 2.67Å; P64-R68 PolarHBondContact O-NE 2.66Å; P64-R68 VanDerWaalsContact O-NE 3.11Å
65R83.1Confident83.7Confident152 Ų15292.9 Ų92.957%0.57449%0.49SS*.Hα-helixtrans-76.7-48.4172.6177.9-176.5167.6-169.6-7.3110.1S62 I63 L67 R68 E69S62-R65 CarbonylContact O-C 3.59Å; S62-R65 WeakPolarHBondContact O-CA 3.33Å; S62-R65 VanDerWaalsContact O-CB 3.31Å; S62-R65 WeakPolarHBondContact O-CB 3.38Å; S62-R65 PolarHBondContact O-N 3.39Å; I63-R65 PolarHBondContact O-N 2.95Å; R65-L67 VanDerWaalsContact C-N 3.34Å; R65-L67 PolarHBondContact O-N 3.16Å; R65-R68 PolarHBondContact O-N 2.83Å; R65-R68 VanDerWaalsContact O-N 3.17Å; R65-E69 HydrophobicContact CG-CG 4.48Å; R65-E69 IonicContact CZ-OE1 3.24Å; R65-E69 IonicContact NE-OE1 2.76Å; R65-E69 PolarHBondContact NE-OE1 2.8Å; R65-E69 IonicContact NH2-OE1 2.7Å; R65-E69 PolarHBondContact NH2-OE1 3.36Å; R65-E69 VanDerWaalsContact NH2-OE1 3.07Å; R65-E69 WeakPolarHBondContact O-CG 3.47Å; R65-E69 PolarHBondContact O-N 3Å
66V84.1Confident83.5Confident68 Ų6894.7 Ų94.741%0.41250%0.497SS..Hα-helixtrans-61.1-41.8177.3174.80000111.2S62 I63 R68 E69 I70S62-V66 WeakPolarHBondContact O-CG2 3.33Å; S62-V66 PolarHBondContact O-N 2.91Å; I63-V66 PolarHBondContact O-N 3.5Å; V66-R68 PolarHBondContact O-N 2.86Å; V66-E69 PolarHBondContact O-N 3.39Å; V66-I70 HydrophobicContact CG1-CD1 3.83Å; V66-I70 HydrophobicContact CG1-CG1 4.37Å; V66-I70 WeakPolarHBondContact O-CB 3.36Å; V66-I70 VanDerWaalsContact O-CG1 3.26Å; V66-I70 WeakPolarHBondContact O-CG1 3.28Å; V66-I70 PolarHBondContact O-N 3.42Å
67L83.4Confident83.3Confident99 Ų9994.2 Ų94.252%0.51850%0.498SS..Hα-helixtrans-62.6-41.1174.8-72.8172.6000112.1I63 R65 I70 D71I63-L67 HydrophobicContact CG2-CD1 3.77Å; I63-L67 HydrophobicContact CG2-CG 4.17Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 3.39Å; R65-L67 VanDerWaalsContact C-N 3.34Å; R65-L67 PolarHBondContact O-N 3.16Å; L67-I70 PolarHBondContact O-N 3.49Å; L67-D71 WeakPolarHBondContact O-CB 3.39Å; L67-D71 PolarHBondContact O-N 3.37Å
68R82Confident83.1Confident176 Ų17692.1 Ų92.166%0.66449%0.491SS*.Hα-helixtrans-66.2-38.1173.7-83.5-175-71.1158.8-5.3112.6P64 R65 V66 D71 A72P64-R68 WeakPolarHBondContact O-CB 3.3Å; P64-R68 WeakPolarHBondContact O-CG 3.49Å; P64-R68 PolarHBondContact O-N 2.67Å; P64-R68 PolarHBondContact O-NE 2.66Å; P64-R68 VanDerWaalsContact O-NE 3.11Å; R65-R68 PolarHBondContact O-N 2.83Å; R65-R68 VanDerWaalsContact O-N 3.17Å; V66-R68 PolarHBondContact O-N 2.86Å; R68-D71 PolarHBondContact O-N 3.43Å; R68-A72 VanDerWaalsContact O-CB 3.29Å; R68-A72 WeakPolarHBondContact O-CB 3.31Å; R68-A72 PolarHBondContact O-N 2.79Å
69E87.6Confident82.8Confident90 Ų9089.2 Ų89.242%0.42149%0.485SS..Hα-helixtrans-66.9-39.5175.2-72.8174.1-177.100110.8R65 V66 A72 V73R65-E69 HydrophobicContact CG-CG 4.48Å; R65-E69 IonicContact CZ-OE1 3.24Å; R65-E69 IonicContact NE-OE1 2.76Å; R65-E69 PolarHBondContact NE-OE1 2.8Å; R65-E69 IonicContact NH2-OE1 2.7Å; R65-E69 PolarHBondContact NH2-OE1 3.36Å; R65-E69 VanDerWaalsContact NH2-OE1 3.07Å; R65-E69 WeakPolarHBondContact O-CG 3.47Å; R65-E69 PolarHBondContact O-N 3Å; V66-E69 PolarHBondContact O-N 3.39Å; E69-A72 PolarHBondContact O-N 3.35Å; E69-V73 WeakPolarHBondContact O-CB 3.47Å; E69-V73 VanDerWaalsContact O-CG2 3.26Å; E69-V73 WeakPolarHBondContact O-CG2 3.33Å; E69-V73 PolarHBondContact O-N 2.99Å
70I81.3Confident82.5Confident100 Ų10091 Ų9151%0.51349%0.487SS..Hα-helixtrans-64.9-43.8173.3-70.6168000111.3V66 L67 V73 R74V66-I70 HydrophobicContact CG1-CD1 3.83Å; V66-I70 HydrophobicContact CG1-CG1 4.37Å; V66-I70 WeakPolarHBondContact O-CB 3.36Å; V66-I70 VanDerWaalsContact O-CG1 3.26Å; V66-I70 WeakPolarHBondContact O-CG1 3.28Å; V66-I70 PolarHBondContact O-N 3.42Å; L67-I70 PolarHBondContact O-N 3.49Å; I70-V73 PolarHBondContact O-N 3.44Å; I70-R74 WeakPolarHBondContact O-CB 3.31Å; I70-R74 PolarHBondContact O-N 3.03Å
71D81.2Confident82.2Confident80 Ų8090.3 Ų90.343%0.42848%0.482SS..Hα-helixtrans-66.4-37.5176.3-92.9-33.9000112.1L67 R68 R74 I75L67-D71 WeakPolarHBondContact O-CB 3.39Å; L67-D71 PolarHBondContact O-N 3.37Å; R68-D71 PolarHBondContact O-N 3.43Å; D71-R74 WeakPolarHBondContact O-CB 3.15Å; D71-R74 PolarHBondContact O-N 3.4Å; D71-R74 IonicContact OD1-NE 2.88Å; D71-R74 PolarHBondContact OD1-NE 3.35Å; D71-I75 VanDerWaalsContact O-CG1 3.27Å; D71-I75 WeakPolarHBondContact O-CG1 3.35Å; D71-I75 PolarHBondContact O-N 3.47Å
72A82.1Confident81.9Confident44 Ų4490 Ų9036%0.36448%0.476SS..Hα-helixtrans-62.2-48.1172.500000110.8R68 E69 R74 I75 D76R68-A72 VanDerWaalsContact O-CB 3.29Å; R68-A72 WeakPolarHBondContact O-CB 3.31Å; R68-A72 PolarHBondContact O-N 2.79Å; E69-A72 PolarHBondContact O-N 3.35Å; A72-R74 VanDerWaalsContact C-N 3.27Å; A72-R74 PolarHBondContact O-N 3.41Å; A72-I75 PolarHBondContact O-N 2.85Å; A72-D76 WeakPolarHBondContact O-CB 3.09Å; A72-D76 VanDerWaalsContact O-CG 3.26Å; A72-D76 PolarHBondContact O-N 2.88Å
73V83.2Confident81.2Confident100 Ų10091.8 Ų91.861%0.60648%0.481SS*.Hα-helixtrans-60.7-36.3174.9170.70000111.6E69 I70 A77E69-V73 WeakPolarHBondContact O-CB 3.47Å; E69-V73 VanDerWaalsContact O-CG2 3.26Å; E69-V73 WeakPolarHBondContact O-CG2 3.33Å; E69-V73 PolarHBondContact O-N 2.99Å; I70-V73 PolarHBondContact O-N 3.44Å; V73-A77 WeakPolarHBondContact O-CB 3.4Å; V73-A77 PolarHBondContact O-N 2.87Å
74R83.3Confident80.4Confident134 Ų13490.7 Ų90.751%0.50648%0.476SS..Hα-helixtrans-66-43.9175.4-171.8-172.772.978.52.3111.7I70 D71 A72 A77 L78I70-R74 WeakPolarHBondContact O-CB 3.31Å; I70-R74 PolarHBondContact O-N 3.03Å; D71-R74 WeakPolarHBondContact O-CB 3.15Å; D71-R74 PolarHBondContact O-N 3.4Å; D71-R74 IonicContact OD1-NE 2.88Å; D71-R74 PolarHBondContact OD1-NE 3.35Å; A72-R74 VanDerWaalsContact C-N 3.27Å; A72-R74 PolarHBondContact O-N 3.41Å; R74-A77 PolarHBondContact O-N 3.24Å; R74-L78 VanDerWaalsContact NH1-CD1 3.3Å; R74-L78 WeakPolarHBondContact O-CG 3.3Å; R74-L78 PolarHBondContact O-N 3.29Å
75I83.1Confident79.9Confident96 Ų9692.9 Ų92.949%0.49248%0.478SS..Hα-helixtrans-65.4-44.9176.9-68.8165.6000109.9D71 A72 A77 L78 A79D71-I75 VanDerWaalsContact O-CG1 3.27Å; D71-I75 WeakPolarHBondContact O-CG1 3.35Å; D71-I75 PolarHBondContact O-N 3.47Å; A72-I75 PolarHBondContact O-N 2.85Å; I75-A77 VanDerWaalsContact C-N 3.32Å; I75-A77 PolarHBondContact O-N 3.3Å; I75-L78 PolarHBondContact O-N 3.02Å; I75-A79 WeakPolarHBondContact O-CB 3.29Å; I75-A79 PolarHBondContact O-N 2.86Å
76D81.1Confident79.1Confident109 Ų10989.3 Ų89.358%0.58347%0.473SS*.Hα-helixtrans-63.6-38.1177.2-69.2-12.4000111.3A72 A79 L80A72-D76 WeakPolarHBondContact O-CB 3.09Å; A72-D76 VanDerWaalsContact O-CG 3.26Å; A72-D76 PolarHBondContact O-N 2.88Å; D76-A79 PolarHBondContact O-N 3.07Å; D76-L80 VanDerWaalsContact O-CB 3.28Å; D76-L80 WeakPolarHBondContact O-CB 3.41Å; D76-L80 PolarHBondContact O-N 3.43Å
77A78.3Confident78.1Confident54 Ų5489.7 Ų89.745%0.44647%0.473SS..Hα-helixtrans-67.4-37.4174.900000112.6V73 R74 I75 L80 E81V73-A77 WeakPolarHBondContact O-CB 3.4Å; V73-A77 PolarHBondContact O-N 2.87Å; R74-A77 PolarHBondContact O-N 3.24Å; I75-A77 VanDerWaalsContact C-N 3.32Å; I75-A77 PolarHBondContact O-N 3.3Å; A77-L80 PolarHBondContact O-N 2.91Å; A77-E81 WeakPolarHBondContact O-CB 3.29Å; A77-E81 PolarHBondContact O-N 2.81Å
78L80.9Confident77Confident83 Ų8392 Ų9244%0.43548%0.481SS..Hα-helixtrans-70.5-37.6174.2-73.5171.9000112R74 I75 E81 S82R74-L78 VanDerWaalsContact NH1-CD1 3.3Å; R74-L78 WeakPolarHBondContact O-CG 3.3Å; R74-L78 PolarHBondContact O-N 3.29Å; I75-L78 PolarHBondContact O-N 3.02Å; L78-E81 PolarHBondContact O-N 3.14Å; L78-S82 PolarHBondContact O-N 3.1Å; L78-S82 VanDerWaalsContact O-N 3.07Å
79A80.3Confident75.9Confident47 Ų4790.1 Ų90.139%0.38848%0.484SS..Hα-helixtrans-63.7-44.5171.800000110.5I75 D76 E81 S82 D83I75-A79 WeakPolarHBondContact O-CB 3.29Å; I75-A79 PolarHBondContact O-N 2.86Å; D76-A79 PolarHBondContact O-N 3.07Å; A79-E81 VanDerWaalsContact C-N 3.32Å; A79-E81 PolarHBondContact O-N 2.85Å; A79-S82 WeakPolarHBondContact O-CB 3.37Å; A79-S82 PolarHBondContact O-N 2.88Å; A79-S82 VanDerWaalsContact O-N 3.14Å; A79-D83 PolarHBondContact O-N 2.86Å
80L77.1Confident74.4Confident86 Ų8691.3 Ų91.345%0.4549%0.493SS..Hα-helixtrans-63.3-35.7174.8-166.681.3000112D76 A77 S82 D83 L84D76-L80 VanDerWaalsContact O-CB 3.28Å; D76-L80 WeakPolarHBondContact O-CB 3.41Å; D76-L80 PolarHBondContact O-N 3.43Å; A77-L80 PolarHBondContact O-N 2.91Å; L80-S82 VanDerWaalsContact C-N 3.34Å; L80-D83 PolarHBondContact O-N 3.39Å; L80-L84 HydrophobicContact CD2-CD1 4.38Å; L80-L84 HydrophobicContact CG-CD1 4.3Å; L80-L84 VanDerWaalsContact O-CB 3.24Å; L80-L84 WeakPolarHBondContact O-CB 3.48Å; L80-L84 PolarHBondContact O-N 3.5Å
81E78Confident73.1Confident92 Ų9294 Ų9443%0.4351%0.509SS..Hα-helixtrans-63.3-40.9173.4-170.2-165.1154.900111.3A77 L78 A79 K85A77-E81 WeakPolarHBondContact O-CB 3.29Å; A77-E81 PolarHBondContact O-N 2.81Å; L78-E81 PolarHBondContact O-N 3.14Å; A79-E81 VanDerWaalsContact C-N 3.32Å; A79-E81 PolarHBondContact O-N 2.85Å; E81-K85 WeakPolarHBondContact O-CB 3.24Å; E81-K85 WeakPolarHBondContact O-CG 3.22Å; E81-K85 PolarHBondContact O-N 2.99Å; E81-K85 WeakPolarHBondContact OE1-CE 3.41Å; E81-K85 IonicContact OE1-NZ 3.36Å; E81-K85 PolarHBondContact OE1-NZ 3.28Å
82S76.8Confident71.8Confident69 Ų6998.9 Ų98.948%0.48353%0.529SS..Hα-helixtrans-63.5-46.9173.1178.50000111.2L78 A79 L80 K85 T86L78-S82 PolarHBondContact O-N 3.1Å; L78-S82 VanDerWaalsContact O-N 3.07Å; A79-S82 WeakPolarHBondContact O-CB 3.37Å; A79-S82 PolarHBondContact O-N 2.88Å; A79-S82 VanDerWaalsContact O-N 3.14Å; L80-S82 VanDerWaalsContact C-N 3.34Å; S82-K85 WeakPolarHBondContact O-CB 3.35Å; S82-K85 PolarHBondContact O-N 3.39Å; S82-T86 PolarHBondContact O-N 2.87Å
83D73Confident70.6Confident88 Ų88101.5 Ų101.547%0.47154%0.536SS..Hα-helixtrans-65.8-39.7179.3-68.5-10.4000111.3A79 L80 T86 L87A79-D83 PolarHBondContact O-N 2.86Å; L80-D83 PolarHBondContact O-N 3.39Å; D83-T86 WeakPolarHBondContact CA-OG1 3.08Å; D83-T86 PolarHBondContact O-N 3.41Å; D83-T86 PolarHBondContact O-OG1 3.22Å; D83-L87 WeakPolarHBondContact O-CB 3.46Å; D83-L87 WeakPolarHBondContact O-CG 3.41Å; D83-L87 PolarHBondContact O-N 2.91Å
84L67.1Low69.6Low68 Ų68102.9 Ų102.936%0.35654%0.54SS..Hα-helixtrans-66.1-36.1173.5-98162.1000112.1L80 T86 L87 Q88L80-L84 HydrophobicContact CD2-CD1 4.38Å; L80-L84 HydrophobicContact CG-CD1 4.3Å; L80-L84 VanDerWaalsContact O-CB 3.24Å; L80-L84 WeakPolarHBondContact O-CB 3.48Å; L80-L84 PolarHBondContact O-N 3.5Å; L84-T86 VanDerWaalsContact C-N 3.32Å; L84-L87 CarbonylContact O-C 3.48Å; L84-L87 PolarHBondContact O-N 2.91Å; L84-Q88 WeakPolarHBondContact O-CB 3.4Å; L84-Q88 PolarHBondContact O-N 2.91Å
85K70.4Confident68.6Low115 Ų115102.7 Ų102.750%0.555%0.549SS..Hα-helixtrans-63.6-38.9171.3-81.6172.2-177.2159.20111.4E81 S82 Q88 D89E81-K85 WeakPolarHBondContact O-CB 3.24Å; E81-K85 WeakPolarHBondContact O-CG 3.22Å; E81-K85 PolarHBondContact O-N 2.99Å; E81-K85 WeakPolarHBondContact OE1-CE 3.41Å; E81-K85 IonicContact OE1-NZ 3.36Å; E81-K85 PolarHBondContact OE1-NZ 3.28Å; S82-K85 WeakPolarHBondContact O-CB 3.35Å; S82-K85 PolarHBondContact O-N 3.39Å; K85-Q88 WeakPolarHBondContact O-CB 3.32Å; K85-Q88 PolarHBondContact O-N 3.3Å; K85-D89 PolarHBondContact O-N 3.17Å
86T67.7Low67.5Low77 Ų77104 Ų10447%0.47256%0.558SS.*Hα-helixtrans-71.4-37.1174.559.50000113S82 D83 L84 Q88 D89 D90S82-T86 PolarHBondContact O-N 2.87Å; D83-T86 WeakPolarHBondContact CA-OG1 3.08Å; D83-T86 PolarHBondContact O-N 3.41Å; D83-T86 PolarHBondContact O-OG1 3.22Å; L84-T86 VanDerWaalsContact C-N 3.32Å; T86-Q88 VanDerWaalsContact C-N 3.27Å; T86-Q88 PolarHBondContact O-N 3.39Å; T86-D89 PolarHBondContact O-N 2.93Å; T86-D90 PolarHBondContact O-N 3.46Å
87L62.2Low66.6Low77 Ų77100.6 Ų100.640%0.40354%0.542SS..Hα-helixtrans-72.7-20.4174-80162.2000112.7D83 L84 D89 D90D83-L87 WeakPolarHBondContact O-CB 3.46Å; D83-L87 WeakPolarHBondContact O-CG 3.41Å; D83-L87 PolarHBondContact O-N 2.91Å; L84-L87 CarbonylContact O-C 3.48Å; L84-L87 PolarHBondContact O-N 2.91Å; L87-D89 VanDerWaalsContact C-N 3.29Å; L87-D90 CarbonylContact O-C 3.55Å; L87-D90 PolarHBondContact O-N 3.05Å
88Q59.7Low66Low147 Ų147103.7 Ų103.769%0.68755%0.547SS*.Hα-helixtrans-72.1-26.8171.2-171.6173.68.400111.4L84 K85 T86L84-Q88 WeakPolarHBondContact O-CB 3.4Å; L84-Q88 PolarHBondContact O-N 2.91Å; K85-Q88 WeakPolarHBondContact O-CB 3.32Å; K85-Q88 PolarHBondContact O-N 3.3Å; T86-Q88 VanDerWaalsContact C-N 3.27Å; T86-Q88 PolarHBondContact O-N 3.39Å
89D59.2Low65.7Low136 Ų136104.8 Ų104.873%0.72755%0.554SS**Hα-helixtrans-80.8-32.4171.6-70.2-24.8000111.9K85 T86 L87 N91K85-D89 PolarHBondContact O-N 3.17Å; T86-D89 PolarHBondContact O-N 2.93Å; L87-D89 VanDerWaalsContact C-N 3.29Å; D89-N91 PolarHBondContact O-N 3.46Å
90D55.7Low65.3Low115 Ų115108.1 Ų108.162%0.61556%0.563SS**SBendtrans-89.789.8175.4-81.2-20.7000112.1T86 L87 Q92T86-D90 PolarHBondContact O-N 3.46Å; L87-D90 CarbonylContact O-C 3.55Å; L87-D90 PolarHBondContact O-N 3.05Å; D90-Q92 PolarHBondContact O-N 2.71Å
91N54.6Low65.1Low158 Ų158107.1 Ų107.185%0.84556%0.561SS**  trans-60.439.4-177.1-97.8-37.6000117.6D89D89-N91 PolarHBondContact O-N 3.46Å
92Q53.8Low65.2Low181 Ų181107.4 Ų107.485%0.84657%0.565SS**  trans-13079.1174.4-65.2-172.420.900111.1D90D90-Q92 PolarHBondContact O-N 2.71Å
93L56.7Low65.2Low100 Ų100107.8 Ų107.852%0.52457%0.568SS.*  trans-98110.1173.5-81.2160.5000110.9
94D61.5Low65.3Low128 Ų128107.4 Ų107.468%0.68457%0.566SS**  trans-63.3157.8172.2-94.7-15.8000113.1N96 S97D94-N96 PolarHBondContact O-N 3.15Å; D94-N96 VanDerWaalsContact O-N 3.07Å; D94-S97 VanDerWaalsContact O-CB 3.29Å; D94-S97 WeakPolarHBondContact O-CB 3.49Å; D94-S97 PolarHBondContact O-N 3.38Å
95D62.9Low66.1Low131 Ų131108.3 Ų108.370%0.70157%0.574SS**Hα-helixtrans-54.4-28.1178.8-80-21.4000114.2S97 Q98D95-S97 VanDerWaalsContact C-N 3.28Å; D95-S97 PolarHBondContact O-N 2.92Å; D95-Q98 PolarHBondContact O-N 3.25Å
96N61.1Low66.7Low124 Ų124109.2 Ų109.266%0.66358%0.58SS**Hα-helixtrans-66.9-30.4175.1-77.9-21.2000112.5D94 I100D94-N96 PolarHBondContact O-N 3.15Å; D94-N96 VanDerWaalsContact O-N 3.07Å; N96-I100 PolarHBondContact O-N 3.48Å
97S61Low67.5Low37 Ų37111 Ų11126%0.25959%0.586SS.*Hα-helixtrans-72.2-30.5179-53.90000111.9D94 D95 I100 V101D94-S97 VanDerWaalsContact O-CB 3.29Å; D94-S97 WeakPolarHBondContact O-CB 3.49Å; D94-S97 PolarHBondContact O-N 3.38Å; D95-S97 VanDerWaalsContact C-N 3.28Å; D95-S97 PolarHBondContact O-N 2.92Å; S97-I100 PolarHBondContact O-N 3.15Å; S97-V101 VanDerWaalsContact O-CG2 3.28Å; S97-V101 WeakPolarHBondContact O-CG2 3.34Å; S97-V101 PolarHBondContact O-N 3.19Å
98Q66.2Low68.3Low119 Ų119109.4 Ų109.456%0.55658%0.578SS**Hα-helixtrans-65.7-38.4175.1-69.9-163.214.600112.8D95 V101 N102D95-Q98 PolarHBondContact O-N 3.25Å; Q98-V101 PolarHBondContact O-N 3.47Å; Q98-N102 PolarHBondContact O-N 3.41Å; Q98-N102 PolarHBondContact O-ND2 3.15Å
99N73.8Confident69.4Low106 Ų106110.5 Ų110.557%0.56758%0.576SS**Hα-helixtrans-65.7-39.9176.8-74-26.7000111.8N102 S103N99-N102 PolarHBondContact O-N 3.38Å; N99-S103 PolarHBondContact O-N 3.08Å; N99-S103 PolarHBondContact O-OG 2.93Å
100I73.2Confident70.6Confident116 Ų116107.7 Ų107.760%0.59556%0.563SS**Hα-helixtrans-64.2-43.7175.4-65.4163.9000110.4N96 S97 N102 S103 L104N96-I100 PolarHBondContact O-N 3.48Å; S97-I100 PolarHBondContact O-N 3.15Å; I100-N102 PolarHBondContact O-N 2.76Å; I100-S103 PolarHBondContact O-N 2.86Å; I100-L104 WeakPolarHBondContact O-CB 3.43Å; I100-L104 PolarHBondContact O-N 3.35Å
101V73.2Confident72Confident65 Ų65108.4 Ų108.439%0.39456%0.557SS.*Hα-helixtrans-62.4-42.2176.3172.20000111.3S97 Q98 L104 V105S97-V101 VanDerWaalsContact O-CG2 3.28Å; S97-V101 WeakPolarHBondContact O-CG2 3.34Å; S97-V101 PolarHBondContact O-N 3.19Å; Q98-V101 PolarHBondContact O-N 3.47Å; V101-L104 WeakPolarHBondContact O-CB 3.46Å; V101-L104 PolarHBondContact O-N 3.44Å; V101-V105 HydrophobicContact CG1-CG2 4.42Å; V101-V105 VanDerWaalsContact O-CG2 3.29Å; V101-V105 WeakPolarHBondContact O-CG2 3.29Å; V101-V105 PolarHBondContact O-N 2.87Å
102N79.3Confident73.4Confident98 Ų98107.3 Ų107.352%0.52454%0.542SS..Hα-helixtrans-64.5-43.7177.7-74.8-27.5000112.6Q98 N99 I100 L104 V105 E106Q98-N102 PolarHBondContact O-N 3.41Å; Q98-N102 PolarHBondContact O-ND2 3.15Å; N99-N102 PolarHBondContact O-N 3.38Å; I100-N102 PolarHBondContact O-N 2.76Å; N102-L104 VanDerWaalsContact C-N 3.29Å; N102-L104 PolarHBondContact O-N 2.63Å; N102-V105 PolarHBondContact O-N 3.34Å; N102-E106 PolarHBondContact O-N 2.89Å
103S77.4Confident74.7Confident78 Ų78103.3 Ų103.355%0.54553%0.526SS..Hα-helixtrans-64.3-35173.4-67.70000112.1N99 I100 E106 L107N99-S103 PolarHBondContact O-N 3.08Å; N99-S103 PolarHBondContact O-OG 2.93Å; I100-S103 PolarHBondContact O-N 2.86Å; S103-E106 PolarHBondContact O-N 3.32Å; S103-L107 WeakPolarHBondContact O-CB 3.44Å; S103-L107 PolarHBondContact O-N 3.11Å
104L75.6Confident75.9Confident79 Ų79101.5 Ų101.541%0.41453%0.525SS..Hα-helixtrans-67-39175-162.274.7000111.7I100 V101 N102 L107 D108I100-L104 WeakPolarHBondContact O-CB 3.43Å; I100-L104 PolarHBondContact O-N 3.35Å; V101-L104 WeakPolarHBondContact O-CB 3.46Å; V101-L104 PolarHBondContact O-N 3.44Å; N102-L104 VanDerWaalsContact C-N 3.29Å; N102-L104 PolarHBondContact O-N 2.63Å; L104-L107 PolarHBondContact O-N 2.73Å; L104-D108 VanDerWaalsContact O-CB 3.29Å; L104-D108 WeakPolarHBondContact O-CB 3.49Å; L104-D108 PolarHBondContact O-N 3.32Å
105V82.1Confident77Confident87 Ų87100 Ų10053%0.52752%0.515SS..Hα-helixtrans-65-40.4174.3170.10000111.3V101 N102 D108 R109V101-V105 HydrophobicContact CG1-CG2 4.42Å; V101-V105 VanDerWaalsContact O-CG2 3.29Å; V101-V105 WeakPolarHBondContact O-CG2 3.29Å; V101-V105 PolarHBondContact O-N 2.87Å; N102-V105 PolarHBondContact O-N 3.34Å; V105-D108 PolarHBondContact O-N 3.16Å; V105-R109 WeakPolarHBondContact O-CB 3.19Å; V105-R109 PolarHBondContact O-N 2.94Å
106E84.2Confident77.7Confident134 Ų13497.5 Ų97.563%0.62651%0.507SS*.Hα-helixtrans-67.4-40.4175.7-168.7172.2-167.600112N102 S103 R109 T110N102-E106 PolarHBondContact O-N 2.89Å; S103-E106 PolarHBondContact O-N 3.32Å; E106-R109 PolarHBondContact O-N 2.93Å; E106-T110 WeakPolarHBondContact O-CG2 3.34Å; E106-T110 PolarHBondContact O-N 3.43Å; E106-T110 PolarHBondContact O-OG1 2.86Å; E106-T110 VanDerWaalsContact O-OG1 3.11Å
107L83Confident78.7Confident116 Ų11694.1 Ų94.161%0.60750%0.496SS*.Hα-helixtrans-62.7-43.1173.2-164.493.7000111.5S103 L104 R109 T110 R111S103-L107 WeakPolarHBondContact O-CB 3.44Å; S103-L107 PolarHBondContact O-N 3.11Å; L104-L107 PolarHBondContact O-N 2.73Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.37Å; L107-T110 WeakPolarHBondContact CA-OG1 3.16Å; L107-T110 PolarHBondContact O-N 2.91Å; L107-T110 PolarHBondContact O-OG1 2.94Å; L107-R111 VanDerWaalsContact O-CB 3.3Å; L107-R111 WeakPolarHBondContact O-CB 3.27Å; L107-R111 PolarHBondContact O-N 3.38Å
108D80.2Confident79.8Confident43 Ų4394.2 Ų94.223%0.2350%0.5CS..Hα-helixtrans-69.9-33.2178.4-170.739.1000111.7L104 V105 R111 R112L104-D108 VanDerWaalsContact O-CB 3.29Å; L104-D108 WeakPolarHBondContact O-CB 3.49Å; L104-D108 PolarHBondContact O-N 3.32Å; V105-D108 PolarHBondContact O-N 3.16Å; D108-R111 IonicContact OD1-CZ 3.07Å; D108-R111 IonicContact OD1-NE 3.43Å; D108-R111 PolarHBondContact OD1-NE 3.37Å; D108-R111 VanDerWaalsContact OD1-NE 3.07Å; D108-R111 IonicContact OD1-NH2 2.66Å; D108-R111 PolarHBondContact OD1-NH2 3.41Å; D108-R112 WeakPolarHBondContact O-CB 3.42Å; D108-R112 WeakPolarHBondContact O-CG 3.31Å; D108-R112 PolarHBondContact O-N 3.3Å; D108-R112 IonicContact OD1-CZ 3.12Å; D108-R112 IonicContact OD1-NH1 2.75Å; D108-R112 IonicContact OD2-CZ 3.36Å; D108-R112 IonicContact OD2-NE 3.97Å; D108-R112 IonicContact OD2-NH1 3.99Å; D108-R112 PolarHBondContact OD2-NH1 2.85Å; D108-R112 IonicContact OD2-NH2 3.07Å; D108-R112 PolarHBondContact OD2-NH2 3.45Å
109R83.5Confident80.5Confident169 Ų16991.9 Ų91.964%0.63849%0.491SS*.Hα-helixtrans-65.1-47.3171.2-175.4179.5-178.8172.8-0111.9V105 E106 L107 R111 R112 N113V105-R109 WeakPolarHBondContact O-CB 3.19Å; V105-R109 PolarHBondContact O-N 2.94Å; E106-R109 PolarHBondContact O-N 2.93Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.37Å; R109-R111 VanDerWaalsContact C-N 3.33Å; R109-R112 PolarHBondContact O-N 3.2Å; R109-N113 WeakPolarHBondContact O-CB 3.45Å; R109-N113 VanDerWaalsContact O-CG 3.3Å; R109-N113 PolarHBondContact O-N 3.4Å
110T84.4Confident80.8Confident77 Ų7788.5 Ų88.547%0.47248%0.478SS..Hα-helixtrans-64.2-39.6177.451.60000111.3E106 L107 N113 A114E106-T110 WeakPolarHBondContact O-CG2 3.34Å; E106-T110 PolarHBondContact O-N 3.43Å; E106-T110 PolarHBondContact O-OG1 2.86Å; E106-T110 VanDerWaalsContact O-OG1 3.11Å; L107-T110 WeakPolarHBondContact CA-OG1 3.16Å; L107-T110 PolarHBondContact O-N 2.91Å; L107-T110 PolarHBondContact O-OG1 2.94Å; T110-N113 PolarHBondContact O-N 3.46Å; T110-A114 WeakPolarHBondContact O-CB 3.45Å; T110-A114 PolarHBondContact O-N 3.42Å
111R84.8Confident81.3Confident130 Ų13089 Ų8949%0.49148%0.481SS..Hα-helixtrans-58.5-50.1171.3-173.4-171.870.391.6-4.9112.1L107 D108 R109 N113 A114 Q115L107-R111 VanDerWaalsContact O-CB 3.3Å; L107-R111 WeakPolarHBondContact O-CB 3.27Å; L107-R111 PolarHBondContact O-N 3.38Å; D108-R111 IonicContact OD1-CZ 3.07Å; D108-R111 IonicContact OD1-NE 3.43Å; D108-R111 PolarHBondContact OD1-NE 3.37Å; D108-R111 VanDerWaalsContact OD1-NE 3.07Å; D108-R111 IonicContact OD1-NH2 2.66Å; D108-R111 PolarHBondContact OD1-NH2 3.41Å; R109-R111 VanDerWaalsContact C-N 3.33Å; R111-N113 VanDerWaalsContact C-N 3.34Å; R111-N113 PolarHBondContact O-N 3.04Å; R111-A114 PolarHBondContact O-N 2.96Å; R111-Q115 VanDerWaalsContact O-CB 3.24Å; R111-Q115 WeakPolarHBondContact O-CB 3.14Å; R111-Q115 PolarHBondContact O-N 3.24Å
112R82.9Confident81.9Confident136 Ų13694.1 Ų94.151%0.51349%0.493SS..Hα-helixtrans-59.9-41.8177.2-76.1-171.7-167.995.21.7112.3D108 R109 Q115 S116D108-R112 WeakPolarHBondContact O-CB 3.42Å; D108-R112 WeakPolarHBondContact O-CG 3.31Å; D108-R112 PolarHBondContact O-N 3.3Å; D108-R112 IonicContact OD1-CZ 3.12Å; D108-R112 IonicContact OD1-NH1 2.75Å; D108-R112 IonicContact OD2-CZ 3.36Å; D108-R112 IonicContact OD2-NE 3.97Å; D108-R112 IonicContact OD2-NH1 3.99Å; D108-R112 PolarHBondContact OD2-NH1 2.85Å; D108-R112 IonicContact OD2-NH2 3.07Å; D108-R112 PolarHBondContact OD2-NH2 3.45Å; R109-R112 PolarHBondContact O-N 3.2Å; R112-Q115 PolarHBondContact O-N 3.44Å; R112-S116 WeakPolarHBondContact O-CB 3.5Å; R112-S116 PolarHBondContact O-N 3.23Å
113N82.7Confident82.1Confident96 Ų9690.7 Ų90.751%0.51347%0.474SS..Hα-helixtrans-66.7-44.5177.8-72.1-4.4000112R109 T110 R111 Q115 S116 A117R109-N113 WeakPolarHBondContact O-CB 3.45Å; R109-N113 VanDerWaalsContact O-CG 3.3Å; R109-N113 PolarHBondContact O-N 3.4Å; T110-N113 PolarHBondContact O-N 3.46Å; R111-N113 VanDerWaalsContact C-N 3.34Å; R111-N113 PolarHBondContact O-N 3.04Å; N113-Q115 VanDerWaalsContact C-N 3.29Å; N113-Q115 PolarHBondContact O-N 2.89Å; N113-S116 PolarHBondContact O-N 3.04Å; N113-A117 WeakPolarHBondContact O-CB 3.4Å; N113-A117 PolarHBondContact O-N 2.73Å
114A81.5Confident82.4Confident62 Ų6289 Ų8951%0.51246%0.461SS..Hα-helixtrans-63.4-38.2175.900000111.4T110 R111 A117 A118T110-A114 WeakPolarHBondContact O-CB 3.45Å; T110-A114 PolarHBondContact O-N 3.42Å; R111-A114 PolarHBondContact O-N 2.96Å; A114-A117 PolarHBondContact O-N 2.9Å; A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.39Å; A114-A118 PolarHBondContact O-N 2.86Å
115Q84.5Confident82.8Confident98 Ų9890 Ų9046%0.45847%0.466SS..Hα-helixtrans-66.4-45.6175.7-167.5157.9-1.200111.4R111 R112 N113 A117 A118 D119R111-Q115 VanDerWaalsContact O-CB 3.24Å; R111-Q115 WeakPolarHBondContact O-CB 3.14Å; R111-Q115 PolarHBondContact O-N 3.24Å; R112-Q115 PolarHBondContact O-N 3.44Å; N113-Q115 VanDerWaalsContact C-N 3.29Å; N113-Q115 PolarHBondContact O-N 2.89Å; Q115-A117 PolarHBondContact O-N 2.98Å; Q115-A118 PolarHBondContact O-N 3.43Å; Q115-D119 WeakPolarHBondContact O-CB 3.43Å; Q115-D119 PolarHBondContact O-N 3.37Å
116S78.1Confident83.1Confident77 Ų7790 Ų9054%0.53846%0.457SS..Hα-helixtrans-61.5-39.7174.21790000113R112 N113 D119 A120R112-S116 WeakPolarHBondContact O-CB 3.5Å; R112-S116 PolarHBondContact O-N 3.23Å; N113-S116 PolarHBondContact O-N 3.04Å; S116-D119 PolarHBondContact O-N 3.32Å; S116-A120 WeakPolarHBondContact O-CB 3.48Å; S116-A120 PolarHBondContact O-N 3.47Å
117A80.9Confident83.1Confident53 Ų5384.1 Ų84.144%0.43843%0.429SS..Hα-helixtrans-68-40.1175.100000112.2N113 A114 Q115 D119 A120 L121N113-A117 WeakPolarHBondContact O-CB 3.4Å; N113-A117 PolarHBondContact O-N 2.73Å; A114-A117 PolarHBondContact O-N 2.9Å; Q115-A117 PolarHBondContact O-N 2.98Å; A117-D119 VanDerWaalsContact C-N 3.35Å; A117-A120 PolarHBondContact O-N 3.46Å; A117-L121 WeakPolarHBondContact O-CG 3.44Å; A117-L121 PolarHBondContact O-N 3.37Å
118A83.7Confident83.2Confident40 Ų4083 Ų8333%0.33142%0.423SS..Hα-helixtrans-63.4-41.6174.200000111.5A114 Q115 L121 R122A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.39Å; A114-A118 PolarHBondContact O-N 2.86Å; Q115-A118 PolarHBondContact O-N 3.43Å; A118-L121 PolarHBondContact O-N 2.88Å; A118-R122 WeakPolarHBondContact O-CB 3.49Å; A118-R122 VanDerWaalsContact O-CG 3.29Å; A118-R122 WeakPolarHBondContact O-CG 3.37Å; A118-R122 PolarHBondContact O-N 3.32Å
119D82Confident83.5Confident69 Ų6984.7 Ų84.737%0.36943%0.431SS..Hα-helixtrans-68.2-39.6177.4-65.7-25.2000111.3Q115 S116 A117 R122 E123Q115-D119 WeakPolarHBondContact O-CB 3.43Å; Q115-D119 PolarHBondContact O-N 3.37Å; S116-D119 PolarHBondContact O-N 3.32Å; A117-D119 VanDerWaalsContact C-N 3.35Å; D119-R122 PolarHBondContact O-N 3.41Å; D119-R122 IonicContact OD1-NH1 3.63Å; D119-E123 WeakPolarHBondContact O-CB 3.4Å; D119-E123 PolarHBondContact O-N 3.48Å
120A79.6Confident83.6Confident36 Ų3677.6 Ų77.630%0.29841%0.406SS..Hα-helixtrans-64.1-39.717400000113S116 A117 E123 T124S116-A120 WeakPolarHBondContact O-CB 3.48Å; S116-A120 PolarHBondContact O-N 3.47Å; A117-A120 PolarHBondContact O-N 3.46Å; A120-E123 PolarHBondContact O-N 3Å; A120-T124 WeakPolarHBondContact O-CB 3.5Å; A120-T124 PolarHBondContact O-N 3.48Å; A120-T124 PolarHBondContact O-OG1 3Å
121L83.4Confident83.6Confident125 Ų12577.2 Ų77.265%0.65440%0.4SS*.Hα-helixtrans-67.9-42174.8-74.9173.6000111.7A117 A118 E123 T124 D125A117-L121 WeakPolarHBondContact O-CG 3.44Å; A117-L121 PolarHBondContact O-N 3.37Å; A118-L121 PolarHBondContact O-N 2.88Å; L121-E123 VanDerWaalsContact C-N 3.31Å; L121-E123 PolarHBondContact O-N 3.06Å; L121-T124 WeakPolarHBondContact O-CB 3.06Å; L121-T124 PolarHBondContact O-N 2.9Å; L121-D125 PolarHBondContact O-N 3.06Å
122R86.1Confident83.6Confident173 Ų17377.6 Ų77.665%0.65341%0.407SS*.Hα-helixtrans-60.1-42.4173.5-77.7172.9177.4166.8-3111.7A118 D119 T124 D125 R126A118-R122 WeakPolarHBondContact O-CB 3.49Å; A118-R122 VanDerWaalsContact O-CG 3.29Å; A118-R122 WeakPolarHBondContact O-CG 3.37Å; A118-R122 PolarHBondContact O-N 3.32Å; D119-R122 PolarHBondContact O-N 3.41Å; D119-R122 IonicContact OD1-NH1 3.63Å; R122-T124 VanDerWaalsContact C-N 3.32Å; R122-D125 PolarHBondContact O-N 3.27Å; R122-R126 WeakPolarHBondContact O-CB 3.3Å; R122-R126 PolarHBondContact O-N 2.95Å
123E83.6Confident83.6Confident26 Ų2673.8 Ų73.812%0.12140%0.4CS..Hα-helixtrans-71.2-31.2179.1-156.362.8-163.800112D119 A120 L121 R126 W127 C156 F160D119-E123 WeakPolarHBondContact O-CB 3.4Å; D119-E123 PolarHBondContact O-N 3.48Å; A120-E123 PolarHBondContact O-N 3Å; L121-E123 VanDerWaalsContact C-N 3.31Å; L121-E123 PolarHBondContact O-N 3.06Å; E123-R126 PolarHBondContact O-N 3.25Å; E123-R126 WeakPolarHBondContact OE1-CD 3.21Å; E123-R126 IonicContact OE1-CZ 2.9Å; E123-R126 IonicContact OE1-NH1 3.54Å; E123-R126 PolarHBondContact OE1-NH1 2.94Å; E123-R126 IonicContact OE2-NH1 2.76Å; E123-W127 WeakPolarHBondContact O-CB 3.35Å; E123-W127 PolarHBondContact O-N 3.47Å; E123-C156 VanDerWaalsContact CG-CA 3.45Å; E123-C156 HydrophobicContact CG-CB 3.73Å; E123-C156 WeakPolarHBondContact OE1-CA 3.31Å; E123-C156 WeakPolarHBondContact OE1-CB 3.25Å; E123-C156 PolarHBondContact OE1-N 3.46Å; E123-C156 PolarHBondContact OE1-SG 3.47Å; E123-F160 HydrophobicContact CB-CE1 4.32Å; E123-F160 HydrophobicContact CB-CZ 4.37Å; E123-F160 HydrophobicContact CG-CE1 4.5Å; E123-F160 HydrophobicContact CG-CZ 4.25Å; E123-F160 WeakPolarHBondContact O-CZ 3.31Å
124T83.7Confident83.6Confident44 Ų4469.2 Ų69.227%0.2738%0.376SS..Hα-helixtrans-65.4-45.7172-55.20000111.8A120 L121 R122 W127 I128 F160A120-T124 WeakPolarHBondContact O-CB 3.5Å; A120-T124 PolarHBondContact O-N 3.48Å; A120-T124 PolarHBondContact O-OG1 3Å; L121-T124 WeakPolarHBondContact O-CB 3.06Å; L121-T124 PolarHBondContact O-N 2.9Å; R122-T124 VanDerWaalsContact C-N 3.32Å; T124-W127 PolarHBondContact O-N 3.46Å; T124-I128 HydrophobicContact CG2-CD1 4.33Å; T124-I128 WeakPolarHBondContact O-CG1 3.39Å; T124-I128 PolarHBondContact O-N 2.93Å; T124-I128 VanDerWaalsContact O-N 3.1Å; T124-F160 WeakPolarHBondContact OG1-CE1 3.26Å
125D84.5Confident83.6Confident98 Ų9870.8 Ų70.852%0.52438%0.376SS..Hα-helixtrans-62.3-44.1174.7-17354.7000111.2L121 R122 W127 I128 N129L121-D125 PolarHBondContact O-N 3.06Å; R122-D125 PolarHBondContact O-N 3.27Å; D125-W127 PolarHBondContact O-N 3.42Å; D125-I128 PolarHBondContact O-N 3.19Å; D125-N129 PolarHBondContact O-N 3.4Å; D125-N129 PolarHBondContact O-ND2 2.91Å
126R87.1Confident83.5Confident88 Ų8872.1 Ų72.133%0.33238%0.382SS..Hα-helixtrans-57.1-46.3173.6-172.9-177.6179.1-159.93.1112.1R122 E123 I128 N129 L130R122-R126 WeakPolarHBondContact O-CB 3.3Å; R122-R126 PolarHBondContact O-N 2.95Å; E123-R126 PolarHBondContact O-N 3.25Å; E123-R126 WeakPolarHBondContact OE1-CD 3.21Å; E123-R126 IonicContact OE1-CZ 2.9Å; E123-R126 IonicContact OE1-NH1 3.54Å; E123-R126 PolarHBondContact OE1-NH1 2.94Å; E123-R126 IonicContact OE2-NH1 2.76Å; R126-I128 PolarHBondContact O-N 3.36Å; R126-N129 PolarHBondContact O-N 2.99Å; R126-L130 HydrophobicContact CG-CD1 3.93Å; R126-L130 HydrophobicContact CG-CG 4.41Å; R126-L130 WeakPolarHBondContact O-CB 3.4Å; R126-L130 VanDerWaalsContact O-CG 3.23Å; R126-L130 WeakPolarHBondContact O-CG 3.45Å; R126-L130 PolarHBondContact O-N 2.89Å
127W85.7Confident83.7Confident11 Ų1169.4 Ų69.44%0.04236%0.361CS..Hα-helixtrans-59.5-45177.5173.5-85.8000112.5E123 T124 D125 N129 L130 M131 M153 C156 L157 F160 R169 V173E123-W127 WeakPolarHBondContact O-CB 3.35Å; E123-W127 PolarHBondContact O-N 3.47Å; T124-W127 PolarHBondContact O-N 3.46Å; D125-W127 PolarHBondContact O-N 3.42Å; W127-N129 VanDerWaalsContact C-N 3.35Å; W127-N129 PolarHBondContact O-N 3.13Å; W127-L130 PolarHBondContact O-N 2.72Å; W127-M131 WeakPolarHBondContact O-CB 3.29Å; W127-M131 PolarHBondContact O-N 2.87Å; W127-M153 HydrophobicContact CE3-CB 4.15Å; W127-M153 HydrophobicContact CE3-CE 4.33Å; W127-M153 HydrophobicContact CE3-CG 4.31Å; W127-M153 HydrophobicContact CH2-CE 3.71Å; W127-M153 HydrophobicContact CZ2-CE 3.95Å; W127-M153 HydrophobicContact CZ3-CB 3.84Å; W127-M153 HydrophobicContact CZ3-CE 3.9Å; W127-M153 HydrophobicContact CZ3-CG 4.3Å; W127-M153 WeakPolarHBondContact CZ3-O 3.45Å; W127-C156 HydrophobicContact CB-CB 4.31Å; W127-C156 HydrophobicContact CE3-CB 3.73Å; W127-C156 HydrophobicContact CZ3-CB 4.5Å; W127-L157 HydrophobicContact CH2-CD2 4.12Å; W127-L157 HydrophobicContact CZ3-CD2 3.97Å; W127-L157 HydrophobicContact CZ3-CG 4.11Å; W127-F160 HydrophobicContact CB-CE2 3.76Å; W127-F160 HydrophobicContact CB-CZ 3.85Å; W127-F160 AromaticContact CD2-CE2 3.94Å; W127-F160 HydrophobicContact CD2-CE2 3.94Å; W127-F160 AromaticContact CE3-CE2 3.95Å; W127-F160 HydrophobicContact CE3-CE2 3.95Å; W127-F160 AromaticContact CG-CE2 3.88Å; W127-F160 HydrophobicContact CG-CE2 3.88Å; W127-F160 HydrophobicContact CG-CZ 4.36Å; W127-R169 HydrophobicContact CH2-CB 3.73Å; W127-R169 HydrophobicContact CH2-CG 4.21Å; W127-R169 HydrophobicContact CZ2-CB 3.78Å; W127-R169 HydrophobicContact CZ2-CG 3.74Å; W127-V173 HydrophobicContact CH2-CG2 3.62Å; W127-V173 HydrophobicContact CZ3-CG2 3.78Å
128I84.6Confident83.8Confident93 Ų9369 Ų6948%0.47735%0.35SS..Hα-helixtrans-61.4-46.1179.3-67.5166.2000110.2T124 D125 R126 L130 M131 Q132T124-I128 HydrophobicContact CG2-CD1 4.33Å; T124-I128 WeakPolarHBondContact O-CG1 3.39Å; T124-I128 PolarHBondContact O-N 2.93Å; T124-I128 VanDerWaalsContact O-N 3.1Å; D125-I128 PolarHBondContact O-N 3.19Å; R126-I128 PolarHBondContact O-N 3.36Å; I128-L130 PolarHBondContact O-N 3.12Å; I128-M131 PolarHBondContact O-N 3.16Å; I128-Q132 PolarHBondContact O-N 3.22Å
129N86Confident83.7Confident77 Ų7775.5 Ų75.541%0.41237%0.373SS..Hα-helixtrans-62.1-43178-68.9-38.1000111.8D125 R126 W127 Q132 C133D125-N129 PolarHBondContact O-N 3.4Å; D125-N129 PolarHBondContact O-ND2 2.91Å; R126-N129 PolarHBondContact O-N 2.99Å; W127-N129 VanDerWaalsContact C-N 3.35Å; W127-N129 PolarHBondContact O-N 3.13Å; N129-Q132 PolarHBondContact O-N 3.23Å; N129-C133 PolarHBondContact O-N 3.19Å; N129-C133 PolarHBondContact O-SG 3.02Å
130L85.8Confident83.6Confident21 Ų2177.3 Ų77.311%0.1139%0.387CS..Hα-helixtrans-65.1-40.3177.1-70.4171.3000112.2R126 W127 I128 C133 I134 N149 M153R126-L130 HydrophobicContact CG-CD1 3.93Å; R126-L130 HydrophobicContact CG-CG 4.41Å; R126-L130 WeakPolarHBondContact O-CB 3.4Å; R126-L130 VanDerWaalsContact O-CG 3.23Å; R126-L130 WeakPolarHBondContact O-CG 3.45Å; R126-L130 PolarHBondContact O-N 2.89Å; W127-L130 PolarHBondContact O-N 2.72Å; I128-L130 PolarHBondContact O-N 3.12Å; L130-C133 PolarHBondContact O-N 2.83Å; L130-I134 PolarHBondContact O-N 2.77Å; L130-I134 VanDerWaalsContact O-N 3.16Å; L130-N149 HydrophobicContact CD2-CB 4.07Å; L130-N149 WeakPolarHBondContact CD2-OD1 3.25Å; L130-M153 HydrophobicContact CB-CG 3.72Å; L130-M153 HydrophobicContact CD1-CG 3.95Å; L130-M153 HydrophobicContact CG-CG 4.44Å
131M84.5Confident83.5Confident69 Ų6977.5 Ų77.534%0.3439%0.392SS..Hα-helixtrans-68.7-34.6178.5-170.4175.2-172.100112.3W127 I128 C133 I134W127-M131 WeakPolarHBondContact O-CB 3.29Å; W127-M131 PolarHBondContact O-N 2.87Å; I128-M131 PolarHBondContact O-N 3.16Å; M131-C133 VanDerWaalsContact C-N 3.34Å; M131-I134 WeakPolarHBondContact O-CG2 3.41Å
132Q84.3Confident83.4Confident138 Ų13874 Ų7465%0.64537%0.374SS*.Hα-helixtrans-69.6-33.7176.8-1711719.100112.2I128 N129I128-Q132 PolarHBondContact O-N 3.22Å; N129-Q132 PolarHBondContact O-N 3.23Å
133C82.2Confident83.1Confident55 Ų5566.7 Ų66.737%0.37235%0.348SS..Hα-helixtrans-85.1-19.3-177.9-59.10000113.7N129 L130 M131 D135 E136 L137N129-C133 PolarHBondContact O-N 3.19Å; N129-C133 PolarHBondContact O-SG 3.02Å; L130-C133 PolarHBondContact O-N 2.83Å; M131-C133 VanDerWaalsContact C-N 3.34Å; C133-D135 PolarHBondContact O-N 2.79Å; C133-E136 PolarHBondContact O-N 2.83Å; C133-L137 WeakPolarHBondContact O-CG 3.47Å; C133-L137 PolarHBondContact O-N 2.89Å
134I82.9Confident83.1Confident0 Ų068.3 Ų68.30%036%0.357CS..Hα-helixtrans-66.7-40.2-168.2-161.9159.8000113.3L130 M131 L137 F138 L146 I150 M153 Y176L130-I134 PolarHBondContact O-N 2.77Å; L130-I134 VanDerWaalsContact O-N 3.16Å; M131-I134 WeakPolarHBondContact O-CG2 3.41Å; I134-L137 PolarHBondContact O-N 2.73Å; I134-F138 HydrophobicContact CD1-CE2 4.3Å; I134-F138 HydrophobicContact CG1-CD2 4.07Å; I134-F138 HydrophobicContact CG1-CE2 3.83Å; I134-F138 VanDerWaalsContact O-CD2 3.26Å; I134-F138 WeakPolarHBondContact O-CD2 3.47Å; I134-F138 PolarHBondContact O-N 3.25Å; I134-L146 HydrophobicContact CD1-CD1 4.42Å; I134-L146 HydrophobicContact CG1-CD1 3.83Å; I134-I150 HydrophobicContact CD1-CD1 4.45Å; I134-I150 HydrophobicContact CD1-CG1 3.83Å; I134-M153 HydrophobicContact CD1-SD 3.52Å; I134-M153 VanDerWaalsContact CD1-SD 3.52Å; I134-Y176 HydrophobicContact CD1-CD1 3.82Å; I134-Y176 HydrophobicContact CD1-CD2 3.54Å; I134-Y176 HydrophobicContact CD1-CE1 4.13Å; I134-Y176 HydrophobicContact CD1-CE2 3.91Å; I134-Y176 HydrophobicContact CD1-CG 3.48Å; I134-Y176 VanDerWaalsContact CD1-CG 3.48Å; I134-Y176 HydrophobicContact CG1-CD1 4.21Å; I134-Y176 HydrophobicContact CG1-CE1 4.25Å; I134-Y176 HydrophobicContact CG1-CG 4.37Å; I134-Y176 HydrophobicContact CG2-CE1 3.83Å; I134-Y176 HydrophobicContact CG2-CE2 4.02Å; I134-Y176 VanDerWaalsContact CG2-CZ 3.5Å; I134-Y176 WeakPolarHBondContact CG2-OH 3.42Å
135D82.2Confident83Confident95 Ų9571 Ų7151%0.50837%0.367SS..Hα-helixtrans-69-38.4-178.9-67.7-28.1000110.8C133 L137 F138 E139C133-D135 PolarHBondContact O-N 2.79Å; D135-L137 PolarHBondContact O-N 3.01Å; D135-F138 PolarHBondContact O-N 3.43Å; D135-E139 PolarHBondContact O-N 3.37Å
136E83.6Confident83Confident127 Ų12766.5 Ų66.559%0.59334%0.343SS*.Hα-helixtrans-62.9-40.2172.9-64-177.7178.900111.5C133 F138 E139 V140C133-E136 PolarHBondContact O-N 2.83Å; E136-F138 PolarHBondContact O-N 2.78Å; E136-E139 WeakPolarHBondContact O-CB 3.23Å; E136-E139 PolarHBondContact O-N 3.47Å; E136-E139 VanDerWaalsContact O-N 3.16Å; E136-V140 WeakPolarHBondContact O-CG2 3.46Å; E136-V140 PolarHBondContact O-N 3.35Å
137L82.1Confident82.8Confident19 Ų1962.3 Ų62.310%0.09933%0.327CS..Hα-helixtrans-67.8-33.4177.7-72.3-178.9000113.4C133 I134 D135 E139 V140 G141 Q145 L146 N149C133-L137 WeakPolarHBondContact O-CG 3.47Å; C133-L137 PolarHBondContact O-N 2.89Å; I134-L137 PolarHBondContact O-N 2.73Å; D135-L137 PolarHBondContact O-N 3.01Å; L137-E139 VanDerWaalsContact C-N 3.27Å; L137-E139 PolarHBondContact O-N 2.89Å; L137-V140 PolarHBondContact O-N 3.16Å; L137-G141 PolarHBondContact O-N 3.06Å; L137-Q145 HydrophobicContact CD1-CB 4.24Å; L137-Q145 HydrophobicContact CD2-CB 4.14Å; L137-L146 HydrophobicContact CB-CD1 4.16Å; L137-N149 HydrophobicContact CD1-CB 4.18Å; L137-N149 WeakPolarHBondContact CD1-ND2 3.34Å
138F82.7Confident82.8Confident46 Ų4664.1 Ų64.120%0.20234%0.341CS..Hα-helixtrans-63.9-32.8171.8-87.8-72.1000112I134 D135 E136 L146 Y176 N179 L183I134-F138 HydrophobicContact CD1-CE2 4.3Å; I134-F138 HydrophobicContact CG1-CD2 4.07Å; I134-F138 HydrophobicContact CG1-CE2 3.83Å; I134-F138 VanDerWaalsContact O-CD2 3.26Å; I134-F138 WeakPolarHBondContact O-CD2 3.47Å; I134-F138 PolarHBondContact O-N 3.25Å; D135-F138 PolarHBondContact O-N 3.43Å; E136-F138 PolarHBondContact O-N 2.78Å; F138-L146 HydrophobicContact CD1-CD2 3.6Å; F138-L146 HydrophobicContact CD2-CD1 3.87Å; F138-L146 HydrophobicContact CD2-CD2 4.35Å; F138-L146 HydrophobicContact CE1-CD1 4.4Å; F138-L146 HydrophobicContact CE1-CD2 3.39Å; F138-L146 HydrophobicContact CE1-CG 4.41Å; F138-L146 HydrophobicContact CE2-CD1 3.62Å; F138-L146 HydrophobicContact CE2-CD2 4.14Å; F138-L146 HydrophobicContact CE2-CG 4.42Å; F138-L146 HydrophobicContact CG-CD1 4.33Å; F138-L146 HydrophobicContact CG-CD2 4.08Å; F138-L146 HydrophobicContact CZ-CD1 3.91Å; F138-L146 HydrophobicContact CZ-CD2 3.67Å; F138-L146 HydrophobicContact CZ-CG 4.22Å; F138-Y176 HydrophobicContact CD2-CD1 4.29Å; F138-Y176 AromaticContact CE2-CD1 3.42Å; F138-Y176 HydrophobicContact CE2-CD1 3.42Å; F138-Y176 VanDerWaalsContact CE2-CD1 3.42Å; F138-Y176 HydrophobicContact CE2-CE1 4.06Å; F138-Y176 HydrophobicContact CE2-CG 4.23Å; F138-Y176 HydrophobicContact CZ-CD1 4.09Å; F138-N179 HydrophobicContact CE1-CB 3.55Å; F138-N179 HydrophobicContact CZ-CB 3.65Å; F138-L183 HydrophobicContact CD1-CD1 4.03Å; F138-L183 HydrophobicContact CE1-CD1 4.09Å
139E80.6Confident82.7Confident176 Ų17661.3 Ų61.382%0.82233%0.327SS*.Hα-helixtrans-73.7-38.4175-67.3-172.7170.200112.7D135 E136 L137 G141D135-E139 PolarHBondContact O-N 3.37Å; E136-E139 WeakPolarHBondContact O-CB 3.23Å; E136-E139 PolarHBondContact O-N 3.47Å; E136-E139 VanDerWaalsContact O-N 3.16Å; L137-E139 VanDerWaalsContact C-N 3.27Å; L137-E139 PolarHBondContact O-N 2.89Å; E139-G141 VanDerWaalsContact C-N 3.32Å
140V80.7Confident82.6Confident107 Ų10757.7 Ų57.765%0.64831%0.308SS*.Hα-helixtrans-68.2-33.3177.2175.80000111.4E136 L137 D142E136-V140 WeakPolarHBondContact O-CG2 3.46Å; E136-V140 PolarHBondContact O-N 3.35Å; L137-V140 PolarHBondContact O-N 3.16Å; V140-D142 VanDerWaalsContact C-N 3.34Å; V140-D142 HydrophobicContact CG1-CB 4.2Å
141G76.7Confident82.5Confident40 Ų4058.8 Ų58.841%0.41231%0.312SS..THydrogen-bonded Turntrans76.318.2178.700000114.5L137 E139 I143L137-G141 PolarHBondContact O-N 3.06Å; E139-G141 VanDerWaalsContact C-N 3.32Å; G141-I143 PolarHBondContact O-N 3.4Å
142D81.8Confident82.5Confident51 Ų5155.7 Ų55.727%0.27330%0.298SS..  trans-79.1103.3173.2-171.5-14.5000110.2V140 D144 Q145 L146V140-D142 VanDerWaalsContact C-N 3.34Å; V140-D142 HydrophobicContact CG1-CB 4.2Å; D142-D144 PolarHBondContact O-N 2.98Å; D142-D144 PolarHBondContact OD1-N 3.41Å; D142-Q145 HydrophobicContact CB-CB 4.38Å; D142-Q145 VanDerWaalsContact OD2-CG 3.29Å; D142-Q145 WeakPolarHBondContact OD2-CG 3.42Å; D142-Q145 PolarHBondContact OD2-NE2 3.47Å; D142-L146 VanDerWaalsContact O-CB 3.25Å; D142-L146 WeakPolarHBondContact O-CB 3.29Å; D142-L146 PolarHBondContact O-N 3.16Å; D142-L146 VanDerWaalsContact O-N 3.14Å
143I80.5Confident82.4Confident19 Ų1949.1 Ų49.110%0.09727%0.267CS..Hα-helixtrans-66.9-36.7-172.9-57.7179.6000111.2G141 L146 C147 L180 I184 K187 L239G141-I143 PolarHBondContact O-N 3.4Å; I143-L146 PolarHBondContact O-N 3.08Å; I143-C147 WeakPolarHBondContact O-CB 3.37Å; I143-C147 PolarHBondContact O-N 3.49Å; I143-C147 PolarHBondContact O-SG 3.1Å; I143-L180 HydrophobicContact CG2-CD1 3.86Å; I143-I184 HydrophobicContact CG2-CD1 3.87Å; I143-I184 HydrophobicContact CG2-CG1 3.76Å; I143-K187 HydrophobicContact CD1-CD 3.72Å; I143-K187 VanDerWaalsContact CD1-NZ 3.32Å; I143-L239 HydrophobicContact CG2-CD1 3.73Å
144D82.9Confident82.5Confident60 Ų6048.2 Ų48.232%0.32126%0.261SS..Hα-helixtrans-71.6-43.4-174.8-81.5-70.1000112.6D142 C147 S148 H235 L239D142-D144 PolarHBondContact O-N 2.98Å; D142-D144 PolarHBondContact OD1-N 3.41Å; D144-C147 PolarHBondContact O-N 3.36Å; D144-S148 WeakPolarHBondContact O-CB 3.4Å; D144-S148 PolarHBondContact O-N 3.19Å; D144-S148 PolarHBondContact O-OG 2.87Å; D144-H235 VanDerWaalsContact CG-NE2 3.3Å; D144-H235 IonicContact OD1-CE1 3.84Å; D144-H235 PolarHBondContact OD1-CE1 2.91Å; D144-H235 IonicContact OD1-NE2 3Å; D144-H235 PolarHBondContact OD1-NE2 3.41Å; D144-H235 IonicContact OD2-CE1 3.69Å; D144-H235 IonicContact OD2-NE2 2.73Å; D144-H235 PolarHBondContact OD2-NE2 3.31Å; D144-L239 VanDerWaalsContact OD1-CD2 3.31Å; D144-L239 WeakPolarHBondContact OD1-CD2 3.37Å
145Q82Confident82.5Confident102 Ų10252 Ų5248%0.47728%0.279SS..Hα-helixtrans-66.7-41.1174.4-68.3-174.331.400111L137 D142 S148 N149L137-Q145 HydrophobicContact CD1-CB 4.24Å; L137-Q145 HydrophobicContact CD2-CB 4.14Å; D142-Q145 HydrophobicContact CB-CB 4.38Å; D142-Q145 VanDerWaalsContact OD2-CG 3.29Å; D142-Q145 WeakPolarHBondContact OD2-CG 3.42Å; D142-Q145 PolarHBondContact OD2-NE2 3.47Å; Q145-S148 PolarHBondContact O-N 3.32Å; Q145-N149 WeakPolarHBondContact O-CB 3.04Å; Q145-N149 PolarHBondContact O-N 2.95Å
146L84.5Confident82.6Confident2 Ų247.5 Ų47.51%0.0126%0.255CS..Hα-helixtrans-63.6-41.8177.3-174.659.4000111.9I134 L137 F138 D142 I143 N149 I150 L180I134-L146 HydrophobicContact CD1-CD1 4.42Å; I134-L146 HydrophobicContact CG1-CD1 3.83Å; L137-L146 HydrophobicContact CB-CD1 4.16Å; F138-L146 HydrophobicContact CD1-CD2 3.6Å; F138-L146 HydrophobicContact CD2-CD1 3.87Å; F138-L146 HydrophobicContact CD2-CD2 4.35Å; F138-L146 HydrophobicContact CE1-CD1 4.4Å; F138-L146 HydrophobicContact CE1-CD2 3.39Å; F138-L146 HydrophobicContact CE1-CG 4.41Å; F138-L146 HydrophobicContact CE2-CD1 3.62Å; F138-L146 HydrophobicContact CE2-CD2 4.14Å; F138-L146 HydrophobicContact CE2-CG 4.42Å; F138-L146 HydrophobicContact CG-CD1 4.33Å; F138-L146 HydrophobicContact CG-CD2 4.08Å; F138-L146 HydrophobicContact CZ-CD1 3.91Å; F138-L146 HydrophobicContact CZ-CD2 3.67Å; F138-L146 HydrophobicContact CZ-CG 4.22Å; D142-L146 VanDerWaalsContact O-CB 3.25Å; D142-L146 WeakPolarHBondContact O-CB 3.29Å; D142-L146 PolarHBondContact O-N 3.16Å; D142-L146 VanDerWaalsContact O-N 3.14Å; I143-L146 PolarHBondContact O-N 3.08Å; L146-N149 PolarHBondContact O-N 3.41Å; L146-I150 HydrophobicContact CD1-CD1 4.12Å; L146-I150 HydrophobicContact CG-CD1 4.09Å; L146-I150 WeakPolarHBondContact O-CB 3.41Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 3.36Å; L146-L180 HydrophobicContact CB-CD1 4.48Å; L146-L180 HydrophobicContact CD2-CD1 3.71Å; L146-L180 HydrophobicContact CG-CD1 4.12Å; L146-L180 HydrophobicContact CG-CD2 4.26Å
147C82.6Confident82.4Confident1 Ų142.3 Ų42.31%0.00723%0.231CC..Hα-helixtrans-58.3-49.1171.3-71.50000111.5I143 D144 N149 I150 E151 L180 L239I143-C147 WeakPolarHBondContact O-CB 3.37Å; I143-C147 PolarHBondContact O-N 3.49Å; I143-C147 PolarHBondContact O-SG 3.1Å; D144-C147 PolarHBondContact O-N 3.36Å; C147-N149 VanDerWaalsContact C-N 3.32Å; C147-N149 PolarHBondContact O-N 3.48Å; C147-I150 PolarHBondContact O-N 3.1Å; C147-E151 VanDerWaalsContact O-CB 3.31Å; C147-E151 WeakPolarHBondContact O-CB 3.4Å; C147-E151 PolarHBondContact O-N 2.88Å; C147-L180 HydrophobicContact CB-CD2 4.39Å; C147-L180 VanDerWaalsContact SG-CD2 3.57Å; C147-L239 HydrophobicContact CB-CD2 3.76Å; C147-L239 WeakPolarHBondContact SG-CD2 3.14Å
148S84.5Confident82.3Confident49 Ų4943.6 Ų43.634%0.34325%0.25SC..Hα-helixtrans-65.1-35.8-177.6-56.60000112.2D144 Q145 G152 R242D144-S148 WeakPolarHBondContact O-CB 3.4Å; D144-S148 PolarHBondContact O-N 3.19Å; D144-S148 PolarHBondContact O-OG 2.87Å; Q145-S148 PolarHBondContact O-N 3.32Å; S148-G152 PolarHBondContact O-N 3.33Å; S148-R242 PolarHBondContact OG-NH2 3.31Å
149N83.6Confident81.9Confident33 Ų3344.4 Ų44.418%0.17626%0.261CS..Hα-helixtrans-69-43.6174.1-85.711.6000112.3L130 L137 Q145 L146 C147 E151 G152 M153L130-N149 HydrophobicContact CD2-CB 4.07Å; L130-N149 WeakPolarHBondContact CD2-OD1 3.25Å; L137-N149 HydrophobicContact CD1-CB 4.18Å; L137-N149 WeakPolarHBondContact CD1-ND2 3.34Å; Q145-N149 WeakPolarHBondContact O-CB 3.04Å; Q145-N149 PolarHBondContact O-N 2.95Å; L146-N149 PolarHBondContact O-N 3.41Å; C147-N149 VanDerWaalsContact C-N 3.32Å; C147-N149 PolarHBondContact O-N 3.48Å; N149-E151 VanDerWaalsContact C-N 3.32Å; N149-E151 PolarHBondContact O-N 3.4Å; N149-G152 PolarHBondContact O-N 3Å; N149-M153 WeakPolarHBondContact O-CG 3.44Å; N149-M153 PolarHBondContact O-N 3.27Å
150I84Confident81.8Confident1 Ų136.2 Ų36.21%0.00522%0.222CC..Hα-helixtrans-66.4-35.6176.4-72167.9000111.5I134 L146 C147 M153 S154 V173 K177 L180 I243I134-I150 HydrophobicContact CD1-CD1 4.45Å; I134-I150 HydrophobicContact CD1-CG1 3.83Å; L146-I150 HydrophobicContact CD1-CD1 4.12Å; L146-I150 HydrophobicContact CG-CD1 4.09Å; L146-I150 WeakPolarHBondContact O-CB 3.41Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 3.36Å; C147-I150 PolarHBondContact O-N 3.1Å; I150-M153 PolarHBondContact O-N 2.76Å; I150-S154 WeakPolarHBondContact O-CB 3.26Å; I150-S154 PolarHBondContact O-N 3.04Å; I150-S154 PolarHBondContact O-OG 3.06Å; I150-V173 HydrophobicContact CG2-CG1 4.43Å; I150-K177 HydrophobicContact CG2-CD 4.5Å; I150-K177 HydrophobicContact CG2-CG 3.71Å; I150-L180 HydrophobicContact CD1-CB 4.14Å; I150-L180 HydrophobicContact CD1-CD2 3.56Å; I150-I243 HydrophobicContact CG2-CG2 4.47Å
151E83.2Confident81.6Confident45 Ų4536 Ų3621%0.2122%0.216CC..Hα-helixtrans-63.5-46.5171.5-170.6-173.5158.700110.5C147 N149 M153 S154 Q155 R242C147-E151 VanDerWaalsContact O-CB 3.31Å; C147-E151 WeakPolarHBondContact O-CB 3.4Å; C147-E151 PolarHBondContact O-N 2.88Å; N149-E151 VanDerWaalsContact C-N 3.32Å; N149-E151 PolarHBondContact O-N 3.4Å; E151-M153 PolarHBondContact O-N 3.09Å; E151-S154 WeakPolarHBondContact O-CB 3.4Å; E151-S154 PolarHBondContact O-N 3.35Å; E151-S154 VanDerWaalsContact O-N 3.12Å; E151-Q155 WeakPolarHBondContact O-CG 3.42Å; E151-Q155 PolarHBondContact O-N 3.34Å; E151-R242 IonicContact OE2-CZ 3.95Å; E151-R242 VanDerWaalsContact OE2-CZ 3.3Å; E151-R242 IonicContact OE2-NE 3.15Å; E151-R242 PolarHBondContact OE2-NE 2.97Å; E151-R242 IonicContact OE2-NH2 3.72Å; E151-R242 PolarHBondContact OE2-NH2 3.37Å
152G84.1Confident81.4Confident3 Ų342.7 Ų42.73%0.03124%0.237CC..Hα-helixtrans-56.3-46.6172.500000112.5S148 N149 S154 Q155 C156S148-G152 PolarHBondContact O-N 3.33Å; N149-G152 PolarHBondContact O-N 3Å; G152-S154 VanDerWaalsContact C-N 3.3Å; G152-S154 PolarHBondContact O-N 3.23Å; G152-Q155 WeakPolarHBondContact O-CB 3.18Å; G152-Q155 PolarHBondContact O-N 3.22Å; G152-C156 PolarHBondContact O-N 3.42Å; G152-C156 PolarHBondContact O-SG 3.14Å
153M83.5Confident81.1Confident0 Ų043.6 Ų43.60%024%0.241CC..Hα-helixtrans-62.7-38.2176.1-70.5177.379.100111.5W127 L130 I134 N149 I150 E151 C156 L157 V173 Y176W127-M153 HydrophobicContact CE3-CB 4.15Å; W127-M153 HydrophobicContact CE3-CE 4.33Å; W127-M153 HydrophobicContact CE3-CG 4.31Å; W127-M153 HydrophobicContact CH2-CE 3.71Å; W127-M153 HydrophobicContact CZ2-CE 3.95Å; W127-M153 HydrophobicContact CZ3-CB 3.84Å; W127-M153 HydrophobicContact CZ3-CE 3.9Å; W127-M153 HydrophobicContact CZ3-CG 4.3Å; W127-M153 WeakPolarHBondContact CZ3-O 3.45Å; L130-M153 HydrophobicContact CB-CG 3.72Å; L130-M153 HydrophobicContact CD1-CG 3.95Å; L130-M153 HydrophobicContact CG-CG 4.44Å; I134-M153 HydrophobicContact CD1-SD 3.52Å; I134-M153 VanDerWaalsContact CD1-SD 3.52Å; N149-M153 WeakPolarHBondContact O-CG 3.44Å; N149-M153 PolarHBondContact O-N 3.27Å; I150-M153 PolarHBondContact O-N 2.76Å; E151-M153 PolarHBondContact O-N 3.09Å; M153-C156 WeakPolarHBondContact O-CB 3.37Å; M153-C156 PolarHBondContact O-N 3.48Å; M153-L157 PolarHBondContact O-N 2.89Å; M153-L157 VanDerWaalsContact O-N 3.15Å; M153-V173 HydrophobicContact CB-CG2 3.99Å; M153-V173 HydrophobicContact CE-CG2 4.1Å; M153-Y176 HydrophobicContact CE-CD2 4.16Å; M153-Y176 HydrophobicContact CE-CE2 4.11Å; M153-Y176 HydrophobicContact SD-CD2 4.48Å
154S83.1Confident80.9Confident36 Ų3649.6 Ų49.625%0.25227%0.274SS..Hα-helixtrans-66.2-36.9176.1-59.40000111.8I150 E151 G152 C156 L157 K177I150-S154 WeakPolarHBondContact O-CB 3.26Å; I150-S154 PolarHBondContact O-N 3.04Å; I150-S154 PolarHBondContact O-OG 3.06Å; E151-S154 WeakPolarHBondContact O-CB 3.4Å; E151-S154 PolarHBondContact O-N 3.35Å; E151-S154 VanDerWaalsContact O-N 3.12Å; G152-S154 VanDerWaalsContact C-N 3.3Å; G152-S154 PolarHBondContact O-N 3.23Å; S154-C156 VanDerWaalsContact C-N 3.34Å; S154-L157 PolarHBondContact O-N 3.17Å; S154-K177 WeakPolarHBondContact OG-CE 3.23Å; S154-K177 PolarHBondContact OG-NZ 2.67Å
155Q83.5Confident80.8Confident80 Ų8050 Ų5037%0.37428%0.276SS..Hα-helixtrans-64.4-39.6171.6-68.3170.8700111.1E151 G152 L157 G158E151-Q155 WeakPolarHBondContact O-CG 3.42Å; E151-Q155 PolarHBondContact O-N 3.34Å; G152-Q155 WeakPolarHBondContact O-CB 3.18Å; G152-Q155 PolarHBondContact O-N 3.22Å; Q155-L157 VanDerWaalsContact C-N 3.29Å; Q155-L157 PolarHBondContact O-N 2.79Å; Q155-G158 PolarHBondContact O-N 3.3Å; Q155-G158 VanDerWaalsContact O-N 3.09Å
156C83.3Confident80.9Confident0 Ų048.6 Ų48.60%027%0.267CS..Hα-helixtrans-60.1-38.4176.8-53.90000113.1E123 W127 G152 M153 S154 G158 S159 F160E123-C156 VanDerWaalsContact CG-CA 3.45Å; E123-C156 HydrophobicContact CG-CB 3.73Å; E123-C156 WeakPolarHBondContact OE1-CA 3.31Å; E123-C156 WeakPolarHBondContact OE1-CB 3.25Å; E123-C156 PolarHBondContact OE1-N 3.46Å; E123-C156 PolarHBondContact OE1-SG 3.47Å; W127-C156 HydrophobicContact CB-CB 4.31Å; W127-C156 HydrophobicContact CE3-CB 3.73Å; W127-C156 HydrophobicContact CZ3-CB 4.5Å; G152-C156 PolarHBondContact O-N 3.42Å; G152-C156 PolarHBondContact O-SG 3.14Å; M153-C156 WeakPolarHBondContact O-CB 3.37Å; M153-C156 PolarHBondContact O-N 3.48Å; S154-C156 VanDerWaalsContact C-N 3.34Å; C156-G158 PolarHBondContact O-N 2.82Å; C156-G158 VanDerWaalsContact O-N 3.17Å; C156-S159 PolarHBondContact O-N 2.98Å; C156-F160 HydrophobicContact CB-CD2 4.23Å; C156-F160 HydrophobicContact CB-CE2 3.58Å; C156-F160 HydrophobicContact CB-CZ 4.14Å; C156-F160 WeakPolarHBondContact O-CD2 3.48Å; C156-F160 WeakPolarHBondContact O-CG 3.48Å; C156-F160 PolarHBondContact O-N 3.25Å
157L81.1Confident80.8Confident18 Ų1853.8 Ų53.89%0.09429%0.294CS..Hα-helixtrans-57.3-29.9177.9-69.4174.2000112.2W127 M153 S154 Q155 S159 F160 Y166 R169 V170 V173W127-L157 HydrophobicContact CH2-CD2 4.12Å; W127-L157 HydrophobicContact CZ3-CD2 3.97Å; W127-L157 HydrophobicContact CZ3-CG 4.11Å; M153-L157 PolarHBondContact O-N 2.89Å; M153-L157 VanDerWaalsContact O-N 3.15Å; S154-L157 PolarHBondContact O-N 3.17Å; Q155-L157 VanDerWaalsContact C-N 3.29Å; Q155-L157 PolarHBondContact O-N 2.79Å; L157-S159 VanDerWaalsContact C-N 3.28Å; L157-S159 PolarHBondContact O-N 2.9Å; L157-F160 PolarHBondContact O-N 3.46Å; L157-F160 VanDerWaalsContact O-N 3.14Å; L157-Y166 HydrophobicContact CB-CE2 4.36Å; L157-Y166 HydrophobicContact CD2-CE2 4.48Å; L157-Y166 WeakPolarHBondContact O-CE2 3.45Å; L157-R169 HydrophobicContact CD2-CB 3.71Å; L157-V170 HydrophobicContact CD1-CG2 4.12Å; L157-V170 HydrophobicContact CD2-CG2 4.1Å; L157-V173 HydrophobicContact CD1-CB 4.08Å; L157-V173 HydrophobicContact CD1-CG1 4.36Å; L157-V173 HydrophobicContact CD1-CG2 3.79Å; L157-V173 HydrophobicContact CG-CG2 4.38Å
158G78.8Confident80.9Confident47 Ų4759.6 Ų59.649%0.48532%0.321SS..Hα-helixtrans-61.6-32.5175.900000113.9Q155 C156 I161Q155-G158 PolarHBondContact O-N 3.3Å; Q155-G158 VanDerWaalsContact O-N 3.09Å; C156-G158 PolarHBondContact O-N 2.82Å; C156-G158 VanDerWaalsContact O-N 3.17Å; G158-I161 VanDerWaalsContact O-CD1 3.25Å; G158-I161 WeakPolarHBondContact O-CD1 3.38Å; G158-I161 WeakPolarHBondContact O-CG1 3.36Å
159S74.4Confident80.8Confident63 Ų6359.4 Ų59.444%0.44131%0.313SS..Hα-helixtrans-85.6-14.5177.1-59.50000113.1C156 L157C156-S159 PolarHBondContact O-N 2.98Å; L157-S159 VanDerWaalsContact C-N 3.28Å; L157-S159 PolarHBondContact O-N 2.9Å
160F77.8Confident80.9Confident3 Ų359.7 Ų59.71%0.01332%0.316CS..  trans-99.58.2-173.7-61.4-31.2000114.9E123 T124 W127 C156 L157 H162 L163 Y166 R169E123-F160 HydrophobicContact CB-CE1 4.32Å; E123-F160 HydrophobicContact CB-CZ 4.37Å; E123-F160 HydrophobicContact CG-CE1 4.5Å; E123-F160 HydrophobicContact CG-CZ 4.25Å; E123-F160 WeakPolarHBondContact O-CZ 3.31Å; T124-F160 WeakPolarHBondContact OG1-CE1 3.26Å; W127-F160 HydrophobicContact CB-CE2 3.76Å; W127-F160 HydrophobicContact CB-CZ 3.85Å; W127-F160 AromaticContact CD2-CE2 3.94Å; W127-F160 HydrophobicContact CD2-CE2 3.94Å; W127-F160 AromaticContact CE3-CE2 3.95Å; W127-F160 HydrophobicContact CE3-CE2 3.95Å; W127-F160 AromaticContact CG-CE2 3.88Å; W127-F160 HydrophobicContact CG-CE2 3.88Å; W127-F160 HydrophobicContact CG-CZ 4.36Å; C156-F160 HydrophobicContact CB-CD2 4.23Å; C156-F160 HydrophobicContact CB-CE2 3.58Å; C156-F160 HydrophobicContact CB-CZ 4.14Å; C156-F160 WeakPolarHBondContact O-CD2 3.48Å; C156-F160 WeakPolarHBondContact O-CG 3.48Å; C156-F160 PolarHBondContact O-N 3.25Å; L157-F160 PolarHBondContact O-N 3.46Å; L157-F160 VanDerWaalsContact O-N 3.14Å; F160-H162 PolarHBondContact O-N 3.03Å; F160-L163 HydrophobicContact CB-CD1 3.92Å; F160-L163 HydrophobicContact CB-CG 4.38Å; F160-L163 HydrophobicContact CD1-CD1 3.54Å; F160-L163 HydrophobicContact CD1-CG 4.49Å; F160-L163 HydrophobicContact CE1-CD1 4.3Å; F160-L163 HydrophobicContact CG-CD1 3.85Å; F160-L163 PolarHBondContact O-N 3.14Å; F160-Y166 HydrophobicContact CB-CD2 4.35Å; F160-Y166 WeakPolarHBondContact O-CD2 3.43Å; F160-R169 VanDerWaalsContact CD2-NH1 3.34Å
161I76.6Confident81Confident102 Ų10266.6 Ų66.652%0.52335%0.346SS..THydrogen-bonded Turntrans-53.4-28.5-177-60.7169.4000112.4G158 Y166G158-I161 VanDerWaalsContact O-CD1 3.25Å; G158-I161 WeakPolarHBondContact O-CD1 3.38Å; G158-I161 WeakPolarHBondContact O-CG1 3.36Å; I161-Y166 HydrophobicContact CG1-CE2 4.32Å
162H72.7Confident81.1Confident182 Ų18267.7 Ų67.784%0.84335%0.351SS*.THydrogen-bonded Turntrans-94.31.2-178.1-58.8-54.6000115.1F160F160-H162 PolarHBondContact O-N 3.03Å
163L76.5Confident81.2Confident70 Ų7067.6 Ų67.637%0.36635%0.35SS..SBendtrans-84.4142.3176.5-63.8179.5000110.9F160 D165 Y166F160-L163 HydrophobicContact CB-CD1 3.92Å; F160-L163 HydrophobicContact CB-CG 4.38Å; F160-L163 HydrophobicContact CD1-CD1 3.54Å; F160-L163 HydrophobicContact CD1-CG 4.49Å; F160-L163 HydrophobicContact CE1-CD1 4.3Å; F160-L163 HydrophobicContact CG-CD1 3.85Å; F160-L163 PolarHBondContact O-N 3.14Å; L163-D165 PolarHBondContact O-N 3.16Å; L163-Y166 VanDerWaalsContact O-CB 3.3Å; L163-Y166 WeakPolarHBondContact O-CB 3.29Å; L163-Y166 PolarHBondContact O-N 3.48Å
164N76.5Confident81.3Confident145 Ų14570.7 Ų70.778%0.77537%0.366SS*.THydrogen-bonded Turntrans-61.1-3017660-34.6000113.4Y166N164-Y166 VanDerWaalsContact C-N 3.31Å; N164-Y166 PolarHBondContact O-N 3.5Å
165D80.9Confident81.6Confident68 Ų6875.3 Ų75.336%0.36438%0.382SS..THydrogen-bonded Turntrans-90.511.2-178.1-54.4-18.9000113.1L163 D167 E168 R169L163-D165 PolarHBondContact O-N 3.16Å; D165-D167 PolarHBondContact O-N 3.1Å; D165-E168 PolarHBondContact O-N 3.47Å; D165-R169 PolarHBondContact O-N 3.05Å
166Y83.7Confident81.7Confident73 Ų7372.8 Ų72.829%0.28637%0.369SS..Hα-helixtrans-54.6-47.6-177.1175.2-99.5000112.5L157 F160 I161 L163 N164 E168 R169 V170L157-Y166 HydrophobicContact CB-CE2 4.36Å; L157-Y166 HydrophobicContact CD2-CE2 4.48Å; L157-Y166 WeakPolarHBondContact O-CE2 3.45Å; F160-Y166 HydrophobicContact CB-CD2 4.35Å; F160-Y166 WeakPolarHBondContact O-CD2 3.43Å; I161-Y166 HydrophobicContact CG1-CE2 4.32Å; L163-Y166 VanDerWaalsContact O-CB 3.3Å; L163-Y166 WeakPolarHBondContact O-CB 3.29Å; L163-Y166 PolarHBondContact O-N 3.48Å; N164-Y166 VanDerWaalsContact C-N 3.31Å; N164-Y166 PolarHBondContact O-N 3.5Å; Y166-E168 VanDerWaalsContact C-N 3.27Å; Y166-E168 PolarHBondContact O-N 2.88Å; Y166-R169 PolarHBondContact O-N 3.01Å; Y166-R169 VanDerWaalsContact O-N 3.15Å; Y166-V170 HydrophobicContact CD1-CG2 4.06Å; Y166-V170 HydrophobicContact CD2-CG2 4.33Å; Y166-V170 HydrophobicContact CE1-CG2 3.65Å; Y166-V170 HydrophobicContact CE2-CG2 3.94Å; Y166-V170 HydrophobicContact CG-CG2 4.39Å; Y166-V170 WeakPolarHBondContact O-CG2 3.47Å; Y166-V170 PolarHBondContact O-N 3.29Å
167D81.4Confident81.9Confident110 Ų11074.3 Ų74.359%0.58838%0.376SS*.Hα-helixtrans-62.2-33.5-178.3-74.6-19.3000113D165 K171D165-D167 PolarHBondContact O-N 3.1Å; D167-K171 WeakPolarHBondContact O-CG 2.99Å; D167-K171 PolarHBondContact O-N 3.42Å
168E85Confident82.2Confident124 Ų12477 Ų7758%0.57939%0.391SS*.Hα-helixtrans-71.8-41.4176.7-64.1-168.5167.700111.3D165 Y166 K171 Q172D165-E168 PolarHBondContact O-N 3.47Å; Y166-E168 VanDerWaalsContact C-N 3.27Å; Y166-E168 PolarHBondContact O-N 2.88Å; E168-K171 PolarHBondContact O-N 2.86Å; E168-Q172 WeakPolarHBondContact O-CG 3.18Å; E168-Q172 PolarHBondContact O-N 3.23Å
169R83.1Confident82.5Confident45 Ų4577.9 Ų77.917%0.1738%0.384CS..Hα-helixtrans-66-39.4177.6-66.9-176.8-172.2-172.62.3112.3W127 L157 F160 D165 Y166 Q172 V173W127-R169 HydrophobicContact CH2-CB 3.73Å; W127-R169 HydrophobicContact CH2-CG 4.21Å; W127-R169 HydrophobicContact CZ2-CB 3.78Å; W127-R169 HydrophobicContact CZ2-CG 3.74Å; L157-R169 HydrophobicContact CD2-CB 3.71Å; F160-R169 VanDerWaalsContact CD2-NH1 3.34Å; D165-R169 PolarHBondContact O-N 3.05Å; Y166-R169 PolarHBondContact O-N 3.01Å; Y166-R169 VanDerWaalsContact O-N 3.15Å; R169-Q172 PolarHBondContact O-N 3.49Å; R169-V173 PolarHBondContact O-N 3.45Å
170V85.4Confident83Confident38 Ų3874.9 Ų74.923%0.2336%0.363CS..Hα-helixtrans-59.5-47.5174173.30000110.5L157 Y166 Q172 V173 D174L157-V170 HydrophobicContact CD1-CG2 4.12Å; L157-V170 HydrophobicContact CD2-CG2 4.1Å; Y166-V170 HydrophobicContact CD1-CG2 4.06Å; Y166-V170 HydrophobicContact CD2-CG2 4.33Å; Y166-V170 HydrophobicContact CE1-CG2 3.65Å; Y166-V170 HydrophobicContact CE2-CG2 3.94Å; Y166-V170 HydrophobicContact CG-CG2 4.39Å; Y166-V170 WeakPolarHBondContact O-CG2 3.47Å; Y166-V170 PolarHBondContact O-N 3.29Å; V170-Q172 VanDerWaalsContact C-N 3.3Å; V170-Q172 PolarHBondContact O-N 3.45Å; V170-V173 PolarHBondContact O-N 3.37Å; V170-D174 PolarHBondContact O-N 3.41Å
171K86.7Confident83.4Confident146 Ų14676 Ų7664%0.63537%0.368SS*.Hα-helixtrans-61.5-36.9177.1-72.6171.5-174.9169.80112.9D167 E168 D174 K175D167-K171 WeakPolarHBondContact O-CG 2.99Å; D167-K171 PolarHBondContact O-N 3.42Å; E168-K171 PolarHBondContact O-N 2.86Å; K171-D174 PolarHBondContact O-N 2.82Å; K171-K175 WeakPolarHBondContact O-CB 3.28Å; K171-K175 PolarHBondContact O-N 2.83Å
172Q85.3Confident83.8Confident68 Ų6874.6 Ų74.632%0.31837%0.367SS..Hα-helixtrans-64.2-47.6175.4-73.8175.11.600111.3E168 R169 V170 D174 K175 Y176E168-Q172 WeakPolarHBondContact O-CG 3.18Å; E168-Q172 PolarHBondContact O-N 3.23Å; R169-Q172 PolarHBondContact O-N 3.49Å; V170-Q172 VanDerWaalsContact C-N 3.3Å; V170-Q172 PolarHBondContact O-N 3.45Å; Q172-D174 VanDerWaalsContact C-N 3.34Å; Q172-D174 PolarHBondContact O-N 2.86Å; Q172-K175 WeakPolarHBondContact O-CB 3.38Å; Q172-K175 PolarHBondContact O-N 3.49Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.39Å; Q172-Y176 PolarHBondContact O-N 3.13Å; Q172-Y176 VanDerWaalsContact O-N 3.08Å
173V85.8Confident84.4Confident2 Ų269.5 Ų69.51%0.01235%0.346CS..Hα-helixtrans-59.1-47174.9174.30000110.4W127 I150 M153 L157 R169 V170 K175 Y176 K177W127-V173 HydrophobicContact CH2-CG2 3.62Å; W127-V173 HydrophobicContact CZ3-CG2 3.78Å; I150-V173 HydrophobicContact CG2-CG1 4.43Å; M153-V173 HydrophobicContact CB-CG2 3.99Å; M153-V173 HydrophobicContact CE-CG2 4.1Å; L157-V173 HydrophobicContact CD1-CB 4.08Å; L157-V173 HydrophobicContact CD1-CG1 4.36Å; L157-V173 HydrophobicContact CD1-CG2 3.79Å; L157-V173 HydrophobicContact CG-CG2 4.38Å; R169-V173 PolarHBondContact O-N 3.45Å; V170-V173 PolarHBondContact O-N 3.37Å; V173-K175 VanDerWaalsContact C-N 3.28Å; V173-K175 PolarHBondContact O-N 3.38Å; V173-Y176 CarbonylContact O-C 3.55Å; V173-Y176 PolarHBondContact O-N 3.34Å; V173-K177 HydrophobicContact CG1-CD 4.14Å; V173-K177 HydrophobicContact CG1-CG 4.16Å; V173-K177 VanDerWaalsContact O-CG 3.3Å; V173-K177 WeakPolarHBondContact O-CG 3.42Å; V173-K177 PolarHBondContact O-N 3.14Å
174D85.6Confident84.8Confident64 Ų6466.2 Ų66.234%0.34233%0.329SS..Hα-helixtrans-60.1-35.7178.2-82.2-30.8000113.4V170 K171 Q172 K177 N178V170-D174 PolarHBondContact O-N 3.41Å; K171-D174 PolarHBondContact O-N 2.82Å; Q172-D174 VanDerWaalsContact C-N 3.34Å; Q172-D174 PolarHBondContact O-N 2.86Å; D174-K177 PolarHBondContact O-N 3.28Å; D174-N178 PolarHBondContact O-N 3Å; D174-N178 PolarHBondContact O-ND2 3.32Å
175K88.6Confident85.2Confident134 Ų13459.8 Ų59.858%0.58330%0.296SS*.Hα-helixtrans-62.1-46.5172.5-175-173176.4-168.50111K171 Q172 V173 K177 N178 N179K171-K175 WeakPolarHBondContact O-CB 3.28Å; K171-K175 PolarHBondContact O-N 2.83Å; Q172-K175 WeakPolarHBondContact O-CB 3.38Å; Q172-K175 PolarHBondContact O-N 3.49Å; V173-K175 VanDerWaalsContact C-N 3.28Å; V173-K175 PolarHBondContact O-N 3.38Å; K175-K177 VanDerWaalsContact C-N 3.35Å; K175-N178 PolarHBondContact O-N 2.83Å; K175-N179 PolarHBondContact O-N 3.49Å
176Y87.1Confident85.4Confident26 Ų2660.2 Ų60.210%0.10230%0.302CS..Hα-helixtrans-65.3-37.3176.8-65.3-54000112.3I134 F138 M153 Q172 V173 N179 L180I134-Y176 HydrophobicContact CD1-CD1 3.82Å; I134-Y176 HydrophobicContact CD1-CD2 3.54Å; I134-Y176 HydrophobicContact CD1-CE1 4.13Å; I134-Y176 HydrophobicContact CD1-CE2 3.91Å; I134-Y176 HydrophobicContact CD1-CG 3.48Å; I134-Y176 VanDerWaalsContact CD1-CG 3.48Å; I134-Y176 HydrophobicContact CG1-CD1 4.21Å; I134-Y176 HydrophobicContact CG1-CE1 4.25Å; I134-Y176 HydrophobicContact CG1-CG 4.37Å; I134-Y176 HydrophobicContact CG2-CE1 3.83Å; I134-Y176 HydrophobicContact CG2-CE2 4.02Å; I134-Y176 VanDerWaalsContact CG2-CZ 3.5Å; I134-Y176 WeakPolarHBondContact CG2-OH 3.42Å; F138-Y176 HydrophobicContact CD2-CD1 4.29Å; F138-Y176 AromaticContact CE2-CD1 3.42Å; F138-Y176 HydrophobicContact CE2-CD1 3.42Å; F138-Y176 VanDerWaalsContact CE2-CD1 3.42Å; F138-Y176 HydrophobicContact CE2-CE1 4.06Å; F138-Y176 HydrophobicContact CE2-CG 4.23Å; F138-Y176 HydrophobicContact CZ-CD1 4.09Å; M153-Y176 HydrophobicContact CE-CD2 4.16Å; M153-Y176 HydrophobicContact CE-CE2 4.11Å; M153-Y176 HydrophobicContact SD-CD2 4.48Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.39Å; Q172-Y176 PolarHBondContact O-N 3.13Å; Q172-Y176 VanDerWaalsContact O-N 3.08Å; V173-Y176 CarbonylContact O-C 3.55Å; V173-Y176 PolarHBondContact O-N 3.34Å; Y176-N179 PolarHBondContact O-N 3.23Å; Y176-L180 WeakPolarHBondContact O-CB 3.46Å; Y176-L180 PolarHBondContact O-N 3.16Å
177K86.6Confident85.5Confident32 Ų3262 Ų6214%0.13931%0.311CS..Hα-helixtrans-59.5-46.6172.1-66.4-171.2170.7-174.90112I150 S154 V173 D174 K175 N179 L180 E181 I243I150-K177 HydrophobicContact CG2-CD 4.5Å; I150-K177 HydrophobicContact CG2-CG 3.71Å; S154-K177 WeakPolarHBondContact OG-CE 3.23Å; S154-K177 PolarHBondContact OG-NZ 2.67Å; V173-K177 HydrophobicContact CG1-CD 4.14Å; V173-K177 HydrophobicContact CG1-CG 4.16Å; V173-K177 VanDerWaalsContact O-CG 3.3Å; V173-K177 WeakPolarHBondContact O-CG 3.42Å; V173-K177 PolarHBondContact O-N 3.14Å; D174-K177 PolarHBondContact O-N 3.28Å; K175-K177 VanDerWaalsContact C-N 3.35Å; K177-N179 PolarHBondContact O-N 3.42Å; K177-L180 PolarHBondContact O-N 3.41Å; K177-E181 WeakPolarHBondContact O-CB 3.39Å; K177-E181 PolarHBondContact O-N 3.41Å; K177-I243 HydrophobicContact CB-CG2 3.74Å; K177-I243 HydrophobicContact CD-CG2 3.73Å; K177-I243 WeakPolarHBondContact CD-O 3.41Å; K177-I243 WeakPolarHBondContact CE-O 3.11Å; K177-I243 HydrophobicContact CG-CG2 3.48Å; K177-I243 VanDerWaalsContact CG-CG2 3.48Å; K177-I243 PolarHBondContact NZ-O 3.22Å
178N87.6Confident85.6Confident76 Ų7656.7 Ų56.741%0.40628%0.283SS..Hα-helixtrans-64.3-38.3177.9-68.3-24.1000112.4D174 K175 E181 S182 R245D174-N178 PolarHBondContact O-N 3Å; D174-N178 PolarHBondContact O-ND2 3.32Å; K175-N178 PolarHBondContact O-N 2.83Å; N178-E181 PolarHBondContact O-N 3.18Å; N178-S182 PolarHBondContact O-N 3.14Å; N178-S182 PolarHBondContact O-OG 3.3Å; N178-R245 PolarHBondContact OD1-NH1 2.99Å; N178-R245 PolarHBondContact OD1-NH2 3.32Å
179N85.8Confident85.5Confident64 Ų6453.6 Ų53.634%0.34227%0.27SS..Hα-helixtrans-67.2-36.9176.3-71.9-5.6000112.1F138 K175 Y176 K177 S182 L183F138-N179 HydrophobicContact CE1-CB 3.55Å; F138-N179 HydrophobicContact CZ-CB 3.65Å; K175-N179 PolarHBondContact O-N 3.49Å; Y176-N179 PolarHBondContact O-N 3.23Å; K177-N179 PolarHBondContact O-N 3.42Å; N179-S182 PolarHBondContact O-OG 3.45Å; N179-L183 WeakPolarHBondContact O-CG 3.47Å; N179-L183 PolarHBondContact O-N 3.46Å
180L85.2Confident85.5Confident0 Ų056.5 Ų56.50%029%0.285CS..Hα-helixtrans-71.5-40.3175.2-17955.2000111.5I143 L146 C147 I150 Y176 K177 S182 L183 I184 I243I143-L180 HydrophobicContact CG2-CD1 3.86Å; L146-L180 HydrophobicContact CB-CD1 4.48Å; L146-L180 HydrophobicContact CD2-CD1 3.71Å; L146-L180 HydrophobicContact CG-CD1 4.12Å; L146-L180 HydrophobicContact CG-CD2 4.26Å; C147-L180 HydrophobicContact CB-CD2 4.39Å; C147-L180 VanDerWaalsContact SG-CD2 3.57Å; I150-L180 HydrophobicContact CD1-CB 4.14Å; I150-L180 HydrophobicContact CD1-CD2 3.56Å; Y176-L180 WeakPolarHBondContact O-CB 3.46Å; Y176-L180 PolarHBondContact O-N 3.16Å; K177-L180 PolarHBondContact O-N 3.41Å; L180-S182 VanDerWaalsContact C-N 3.32Å; L180-S182 PolarHBondContact O-N 2.97Å; L180-L183 PolarHBondContact O-N 3.19Å; L180-I184 HydrophobicContact CD1-CD1 3.82Å; L180-I184 HydrophobicContact CD1-CG1 4.16Å; L180-I184 HydrophobicContact CG-CD1 3.8Å; L180-I184 WeakPolarHBondContact O-CG1 3.34Å; L180-I184 PolarHBondContact O-N 2.8Å; L180-I243 HydrophobicContact CB-CD1 4.42Å; L180-I243 HydrophobicContact CD2-CD1 3.21Å; L180-I243 HydrophobicContact CD2-CG1 3.76Å; L180-I243 HydrophobicContact CG-CD1 3.56Å
181E86.2Confident85.3Confident26 Ų2654.9 Ų54.912%0.12128%0.276CS..Hα-helixtrans-58-42.4173-173.1179.3157.200111.5K177 N178 L183 I184 A185 L240 R245 A248 Y252K177-E181 WeakPolarHBondContact O-CB 3.39Å; K177-E181 PolarHBondContact O-N 3.41Å; N178-E181 PolarHBondContact O-N 3.18Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.42Å; E181-I184 PolarHBondContact O-N 3.39Å; E181-A185 VanDerWaalsContact O-CB 3.28Å; E181-A185 WeakPolarHBondContact O-CB 3.31Å; E181-A185 PolarHBondContact O-N 3.12Å; E181-L240 HydrophobicContact CG-CD2 4.25Å; E181-R245 IonicContact OE2-CZ 3.85Å; E181-R245 IonicContact OE2-NE 2.71Å; E181-R245 IonicContact OE2-NH1 3.46Å; E181-R245 PolarHBondContact OE2-NH1 2.82Å; E181-A248 VanDerWaalsContact OE1-CB 3.26Å; E181-A248 WeakPolarHBondContact OE1-CB 3.47Å; E181-Y252 HydrophobicContact CG-CE2 4.23Å; E181-Y252 PolarHBondContact OE1-OH 3.45Å
182S85.2Confident85.1Confident73 Ų7347.9 Ų47.951%0.5125%0.246SC..Hα-helixtrans-69.2-24.717868.30000114N178 N179 L180 P186N178-S182 PolarHBondContact O-N 3.14Å; N178-S182 PolarHBondContact O-OG 3.3Å; N179-S182 PolarHBondContact O-OG 3.45Å; L180-S182 VanDerWaalsContact C-N 3.32Å; L180-S182 PolarHBondContact O-N 2.97Å; S182-P186 WeakPolarHBondContact O-CD 3.35Å
183L85Confident84.8Confident76 Ų7647.6 Ų47.640%0.39825%0.246SC..Hα-helixtrans-79.5-36.6171.4-70.1171.7000112.6F138 N179 L180 E181F138-L183 HydrophobicContact CD1-CD1 4.03Å; F138-L183 HydrophobicContact CE1-CD1 4.09Å; N179-L183 WeakPolarHBondContact O-CG 3.47Å; N179-L183 PolarHBondContact O-N 3.46Å; L180-L183 PolarHBondContact O-N 3.19Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.42Å
184I85.2Confident84.5Confident0 Ų050.6 Ų50.60%026%0.262CS..Hα-helixtrans-77.8-42.5-178.6-66.8168.6000111.6I143 L180 E181 K187 L188 L236 L239 L240 I243I143-I184 HydrophobicContact CG2-CD1 3.87Å; I143-I184 HydrophobicContact CG2-CG1 3.76Å; L180-I184 HydrophobicContact CD1-CD1 3.82Å; L180-I184 HydrophobicContact CD1-CG1 4.16Å; L180-I184 HydrophobicContact CG-CD1 3.8Å; L180-I184 WeakPolarHBondContact O-CG1 3.34Å; L180-I184 PolarHBondContact O-N 2.8Å; E181-I184 PolarHBondContact O-N 3.39Å; I184-K187 PolarHBondContact O-N 2.88Å; I184-L188 HydrophobicContact CG2-CB 4.42Å; I184-L188 WeakPolarHBondContact O-CB 3.38Å; I184-L188 PolarHBondContact O-N 3.44Å; I184-L236 HydrophobicContact CG2-CB 4.39Å; I184-L236 HydrophobicContact CG2-CD2 4.24Å; I184-L239 HydrophobicContact CD1-CB 4.09Å; I184-L240 HydrophobicContact CB-CD2 4.32Å; I184-L240 HydrophobicContact CD1-CD2 4.18Å; I184-L240 HydrophobicContact CD1-CG 4.49Å; I184-L240 HydrophobicContact CG2-CD1 4.04Å; I184-L240 HydrophobicContact CG2-CD2 4.1Å; I184-L240 HydrophobicContact CG2-CG 3.89Å; I184-I243 HydrophobicContact CD1-CD1 3.96Å
185A84.4Confident84Confident10 Ų1047.6 Ų47.68%0.08325%0.246CC..Hα-helixtrans-49.7-50.5-174.400000115E181 K187 L188 I189 Y252E181-A185 VanDerWaalsContact O-CB 3.28Å; E181-A185 WeakPolarHBondContact O-CB 3.31Å; E181-A185 PolarHBondContact O-N 3.12Å; A185-K187 PolarHBondContact O-N 2.88Å; A185-L188 PolarHBondContact O-N 3.43Å; A185-I189 WeakPolarHBondContact O-CG1 3.07Å; A185-I189 PolarHBondContact O-N 3.4Å; A185-Y252 HydrophobicContact CB-CE1 3.98Å; A185-Y252 HydrophobicContact CB-CE2 3.95Å
186P85.4Confident83.2Confident78 Ų7841.5 Ų41.551%0.50622%0.22SC..Hα-helixtrans-66.8-35.9178.525.1-33.7000113S182 L188 Q190S182-P186 WeakPolarHBondContact O-CD 3.35Å; P186-L188 VanDerWaalsContact C-N 3.34Å; P186-Q190 PolarHBondContact O-N 3.15Å; P186-Q190 VanDerWaalsContact O-N 3.09Å
187K85Confident82.4Confident109 Ų10946 Ų4647%0.47425%0.245SC..Hα-helixtrans-67-37.9175.4-66.7-173179.2-172.10111.4I143 I184 A185 S191 L236I143-K187 HydrophobicContact CD1-CD 3.72Å; I143-K187 VanDerWaalsContact CD1-NZ 3.32Å; I184-K187 PolarHBondContact O-N 2.88Å; A185-K187 PolarHBondContact O-N 2.88Å; K187-S191 WeakPolarHBondContact O-CB 3.38Å; K187-S191 PolarHBondContact O-N 2.96Å; K187-L236 HydrophobicContact CB-CD1 4.16Å
188L84.2Confident81.5Confident0 Ų046.5 Ų46.50%025%0.248CC..Hα-helixtrans-64.6-47.5177.2-178.968.5000110.9I184 A185 P186 Q190 S191 F192 T233 L236 I237 L240I184-L188 HydrophobicContact CG2-CB 4.42Å; I184-L188 WeakPolarHBondContact O-CB 3.38Å; I184-L188 PolarHBondContact O-N 3.44Å; A185-L188 PolarHBondContact O-N 3.43Å; P186-L188 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.46Å; L188-S191 PolarHBondContact O-N 3.33Å; L188-S191 PolarHBondContact O-OG 3.39Å; L188-F192 HydrophobicContact CD1-CE1 4.06Å; L188-F192 HydrophobicContact CD1-CE2 3.94Å; L188-F192 HydrophobicContact CD1-CZ 3.64Å; L188-F192 HydrophobicContact CD2-CE2 3.81Å; L188-F192 HydrophobicContact CD2-CZ 4.03Å; L188-F192 HydrophobicContact CG-CD2 4.07Å; L188-F192 HydrophobicContact CG-CE2 3.49Å; L188-F192 VanDerWaalsContact CG-CE2 3.49Å; L188-F192 HydrophobicContact CG-CZ 3.74Å; L188-F192 WeakPolarHBondContact O-CD2 2.85Å; L188-F192 WeakPolarHBondContact O-CG 3.48Å; L188-F192 PolarHBondContact O-N 3.21Å; L188-T233 HydrophobicContact CD1-CG2 4.47Å; L188-L236 HydrophobicContact CB-CD1 4.49Å; L188-L236 HydrophobicContact CD1-CB 3.82Å; L188-I237 HydrophobicContact CD1-CG1 3.88Å; L188-L240 HydrophobicContact CD2-CD1 3.76Å
189I82.9Confident80.5Confident58 Ų5843.3 Ų43.330%0.29723%0.231SC..Hα-helixtrans-60.5-45.6177.3-65.4165.4000110.9A185 S191 F192 D193A185-I189 WeakPolarHBondContact O-CG1 3.07Å; A185-I189 PolarHBondContact O-N 3.4Å; I189-S191 VanDerWaalsContact C-N 3.31Å; I189-S191 PolarHBondContact O-N 3.33Å; I189-F192 WeakPolarHBondContact O-CB 3.39Å; I189-F192 PolarHBondContact O-N 2.95Å; I189-F192 VanDerWaalsContact O-N 3.09Å; I189-D193 PolarHBondContact O-N 3.18Å
190Q83.4Confident79.4Confident106 Ų10640.7 Ų40.750%0.49522%0.216SC..Hα-helixtrans-59.8-42.7175.3-175.862.947.100111.7P186 L188 F192 D193 D194P186-Q190 PolarHBondContact O-N 3.15Å; P186-Q190 VanDerWaalsContact O-N 3.09Å; L188-Q190 PolarHBondContact O-N 3.46Å; Q190-F192 VanDerWaalsContact C-N 3.26Å; Q190-F192 PolarHBondContact O-N 2.98Å; Q190-D193 PolarHBondContact O-N 2.88Å; Q190-D194 PolarHBondContact NE2-OD1 3.43Å; Q190-D194 VanDerWaalsContact O-CG 3.27Å; Q190-D194 PolarHBondContact O-N 3.39Å
191S80.4Confident78.3Confident4 Ų443.8 Ų43.83%0.02824%0.238CC..Hα-helixtrans-63-34.7176.580.80000112.2K187 L188 I189 L195 L232 T233K187-S191 WeakPolarHBondContact O-CB 3.38Å; K187-S191 PolarHBondContact O-N 2.96Å; L188-S191 PolarHBondContact O-N 3.33Å; L188-S191 PolarHBondContact O-OG 3.39Å; I189-S191 VanDerWaalsContact C-N 3.31Å; I189-S191 PolarHBondContact O-N 3.33Å; S191-L195 WeakPolarHBondContact O-CB 3.47Å; S191-L195 PolarHBondContact O-N 2.83Å; S191-L232 VanDerWaalsContact CB-CD2 3.46Å; S191-T233 WeakPolarHBondContact CB-OG1 3.42Å; S191-T233 PolarHBondContact OG-OG1 3.45Å
192F81.8Confident76.8Confident0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-68.2-40.6174.9-68.2-42.2000111.7L188 I189 Q190 L195 S196 T233 I237 Y253 W256 F360L188-F192 HydrophobicContact CD1-CE1 4.06Å; L188-F192 HydrophobicContact CD1-CE2 3.94Å; L188-F192 HydrophobicContact CD1-CZ 3.64Å; L188-F192 HydrophobicContact CD2-CE2 3.81Å; L188-F192 HydrophobicContact CD2-CZ 4.03Å; L188-F192 HydrophobicContact CG-CD2 4.07Å; L188-F192 HydrophobicContact CG-CE2 3.49Å; L188-F192 VanDerWaalsContact CG-CE2 3.49Å; L188-F192 HydrophobicContact CG-CZ 3.74Å; L188-F192 WeakPolarHBondContact O-CD2 2.85Å; L188-F192 WeakPolarHBondContact O-CG 3.48Å; L188-F192 PolarHBondContact O-N 3.21Å; I189-F192 WeakPolarHBondContact O-CB 3.39Å; I189-F192 PolarHBondContact O-N 2.95Å; I189-F192 VanDerWaalsContact O-N 3.09Å; Q190-F192 VanDerWaalsContact C-N 3.26Å; Q190-F192 PolarHBondContact O-N 2.98Å; F192-L195 CarbonylContact O-C 3.59Å; F192-L195 PolarHBondContact O-N 3.37Å; F192-S196 PolarHBondContact O-N 2.92Å; F192-T233 HydrophobicContact CD1-CG2 3.54Å; F192-T233 HydrophobicContact CE1-CG2 3.39Å; F192-T233 HydrophobicContact CZ-CG2 4.48Å; F192-I237 HydrophobicContact CE1-CD1 4.14Å; F192-I237 HydrophobicContact CZ-CD1 4.33Å; F192-Y253 HydrophobicContact CE1-CD2 4.11Å; F192-Y253 HydrophobicContact CE2-CD2 4.45Å; F192-Y253 HydrophobicContact CZ-CD2 4.02Å; F192-W256 VanDerWaalsContact C-CZ2 3.49Å; F192-W256 HydrophobicContact CB-CD2 3.63Å; F192-W256 HydrophobicContact CB-CE3 4.17Å; F192-W256 HydrophobicContact CB-CG 3.99Å; F192-W256 HydrophobicContact CB-CH2 4.2Å; F192-W256 HydrophobicContact CB-CZ2 3.68Å; F192-W256 HydrophobicContact CB-CZ3 4.43Å; F192-W256 HydrophobicContact CD2-CB 4.32Å; F192-W256 HydrophobicContact CD2-CD2 4.24Å; F192-W256 HydrophobicContact CD2-CG 4.11Å; F192-W256 HydrophobicContact CG-CD2 4.13Å; F192-W256 HydrophobicContact CG-CE3 4.35Å; F192-W256 HydrophobicContact CG-CG 4.41Å; F192-W256 WeakPolarHBondContact O-CZ2 3.49Å; F192-F360 HydrophobicContact CZ-CZ 4.45Å
193D80.4Confident75Confident61 Ų6146.1 Ų46.133%0.32624%0.244SC..Hα-helixtrans-62.8-44.2176.1-73-25.2000112.2I189 Q190 L195 S196 L197 W256 Q260I189-D193 PolarHBondContact O-N 3.18Å; Q190-D193 PolarHBondContact O-N 2.88Å; D193-L195 VanDerWaalsContact C-N 3.32Å; D193-S196 PolarHBondContact O-N 3.37Å; D193-L197 PolarHBondContact O-N 2.97Å; D193-W256 PolarHBondContact OD1-NE1 3.43Å; D193-Q260 PolarHBondContact OD1-NE2 3.09Å
194D78.5Confident73.1Confident66 Ų6647.4 Ų47.435%0.35326%0.255SS..Hα-helixtrans-63.3-41.9175.2-63.1-19.2000110.5Q190 L197 F198Q190-D194 PolarHBondContact NE2-OD1 3.43Å; Q190-D194 VanDerWaalsContact O-CG 3.27Å; Q190-D194 PolarHBondContact O-N 3.39Å; D194-L197 PolarHBondContact O-N 3.37Å; D194-F198 PolarHBondContact O-N 3.28Å; D194-F198 VanDerWaalsContact O-N 3.14Å
195L75.1Confident70.7Confident1 Ų153.3 Ų53.31%0.00529%0.286CS..Hα-helixtrans-65.2-40.3176.4-170.370.3000111.8S191 F192 D193 L197 F198 M199 L230 T233 L358S191-L195 WeakPolarHBondContact O-CB 3.47Å; S191-L195 PolarHBondContact O-N 2.83Å; F192-L195 CarbonylContact O-C 3.59Å; F192-L195 PolarHBondContact O-N 3.37Å; D193-L195 VanDerWaalsContact C-N 3.32Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.41Å; L195-F198 HydrophobicContact CD1-CD1 4.06Å; L195-F198 CarbonylContact O-C 3.58Å; L195-F198 WeakPolarHBondContact O-CA 3.46Å; L195-F198 WeakPolarHBondContact O-CB 3.3Å; L195-F198 PolarHBondContact O-N 2.98Å; L195-F198 VanDerWaalsContact O-N 3.09Å; L195-M199 HydrophobicContact CB-SD 4.45Å; L195-M199 HydrophobicContact CD1-CG 4.35Å; L195-M199 HydrophobicContact CD2-SD 3.88Å; L195-M199 HydrophobicContact CG-CG 3.95Å; L195-M199 HydrophobicContact CG-SD 3.6Å; L195-M199 VanDerWaalsContact CG-SD 3.6Å; L195-M199 WeakPolarHBondContact O-CB 3.35Å; L195-M199 WeakPolarHBondContact O-CG 3.29Å; L195-M199 PolarHBondContact O-N 3.39Å; L195-L230 HydrophobicContact CD1-CB 4.14Å; L195-L230 HydrophobicContact CD1-CD1 3.97Å; L195-L230 HydrophobicContact CD2-CD1 4.3Å; L195-T233 HydrophobicContact CD2-CG2 4.23Å; L195-L358 HydrophobicContact CD2-CD1 3.84Å; L195-L358 HydrophobicContact CD2-CD2 4.09Å; L195-L358 HydrophobicContact CD2-CG 4.3Å
196S73.1Confident68.4Low5 Ų561.3 Ų61.34%0.03532%0.324CS..Hα-helixtrans-59.3-42177.2171.30000112.1F192 D193 F198 M199 M200 Q260F192-S196 PolarHBondContact O-N 2.92Å; D193-S196 PolarHBondContact O-N 3.37Å; S196-F198 VanDerWaalsContact C-N 3.33Å; S196-F198 PolarHBondContact O-N 3.32Å; S196-M199 PolarHBondContact O-N 3.46Å; S196-M200 WeakPolarHBondContact O-CG 3.39Å; S196-M200 PolarHBondContact O-N 2.81Å; S196-Q260 PolarHBondContact OG-OE1 3.31Å
197L69Low66.1Low120 Ų12061.4 Ų61.463%0.62832%0.32SS*.Hα-helixtrans-61.6-43.7174.3-172.269.5000111.1D193 D194 L195 S201D193-L197 PolarHBondContact O-N 2.97Å; D194-L197 PolarHBondContact O-N 3.37Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.41Å; L197-S201 PolarHBondContact O-N 3.36Å
198F68.6Low63.5Low44 Ų4461.9 Ų61.919%0.19333%0.334CS..Hα-helixtrans-63.2-46.3175.9174.6-105.4000112.6D194 L195 S196 M200 S201 M202 N226D194-F198 PolarHBondContact O-N 3.28Å; D194-F198 VanDerWaalsContact O-N 3.14Å; L195-F198 HydrophobicContact CD1-CD1 4.06Å; L195-F198 CarbonylContact O-C 3.58Å; L195-F198 WeakPolarHBondContact O-CA 3.46Å; L195-F198 WeakPolarHBondContact O-CB 3.3Å; L195-F198 PolarHBondContact O-N 2.98Å; L195-F198 VanDerWaalsContact O-N 3.09Å; S196-F198 VanDerWaalsContact C-N 3.33Å; S196-F198 PolarHBondContact O-N 3.32Å; F198-M200 VanDerWaalsContact C-N 3.3Å; F198-M200 PolarHBondContact O-N 3.01Å; F198-S201 WeakPolarHBondContact O-CA 3.3Å; F198-S201 PolarHBondContact O-N 3.46Å; F198-S201 PolarHBondContact O-OG 3.19Å; F198-M202 HydrophobicContact CE1-CG 4.17Å; F198-M202 HydrophobicContact CZ-CG 3.96Å; F198-M202 PolarHBondContact O-N 2.91Å; F198-N226 HydrophobicContact CE2-CB 3.84Å
199M66.8Low61Low9 Ų968.6 Ų68.64%0.04437%0.37CS..Hα-helixtrans-63.6-35.7-178.3-68.4166.585.200112.3L195 S196 S201 G352 Q353 A356L195-M199 HydrophobicContact CB-SD 4.45Å; L195-M199 HydrophobicContact CD1-CG 4.35Å; L195-M199 HydrophobicContact CD2-SD 3.88Å; L195-M199 HydrophobicContact CG-CG 3.95Å; L195-M199 HydrophobicContact CG-SD 3.6Å; L195-M199 VanDerWaalsContact CG-SD 3.6Å; L195-M199 WeakPolarHBondContact O-CB 3.35Å; L195-M199 WeakPolarHBondContact O-CG 3.29Å; L195-M199 PolarHBondContact O-N 3.39Å; S196-M199 PolarHBondContact O-N 3.46Å; M199-S201 VanDerWaalsContact C-N 3.34Å; M199-G352 VanDerWaalsContact CE-O 3.27Å; M199-G352 WeakPolarHBondContact CE-O 3.45Å; M199-Q353 HydrophobicContact CE-CB 3.87Å; M199-Q353 HydrophobicContact CE-CG 3.52Å; M199-Q353 VanDerWaalsContact CE-OE1 3.32Å; M199-Q353 PolarHBondContact SD-NE2 3.3Å; M199-A356 HydrophobicContact CE-CB 3.69Å; M199-A356 HydrophobicContact CG-CB 4.44Å; M199-A356 HydrophobicContact SD-CB 4.47Å
200M62.9Low58.5Low8 Ų872.7 Ų72.74%0.03939%0.393CS..Hα-helixtrans-65.4-39171.2-72-163.7174.100111.3S196 F198 M202 F264 M287 V288 L345 F349S196-M200 WeakPolarHBondContact O-CG 3.39Å; S196-M200 PolarHBondContact O-N 2.81Å; F198-M200 VanDerWaalsContact C-N 3.3Å; F198-M200 PolarHBondContact O-N 3.01Å; M200-M202 VanDerWaalsContact C-N 3.29Å; M200-M202 PolarHBondContact O-N 3.28Å; M200-F264 HydrophobicContact CE-CD1 3.93Å; M200-F264 HydrophobicContact CE-CE1 3.13Å; M200-F264 HydrophobicContact CE-CE2 4.01Å; M200-F264 HydrophobicContact CE-CZ 3.18Å; M200-M287 HydrophobicContact SD-SD 4.25Å; M200-V288 HydrophobicContact CB-CG2 4.13Å; M200-V288 WeakPolarHBondContact O-CG1 3.2Å; M200-V288 WeakPolarHBondContact O-CG2 3.38Å; M200-L345 HydrophobicContact CE-CD2 4.28Å; M200-L345 HydrophobicContact SD-CD2 4.32Å; M200-F349 HydrophobicContact CE-CB 4.15Å; M200-F349 HydrophobicContact CE-CD2 4.29Å
201S61Low55.9Low66 Ų6675.2 Ų75.246%0.46241%0.409SS..Hα-helixtrans-75.9-4.6-178.673.40000116.1L197 F198 M199 D203L197-S201 PolarHBondContact O-N 3.36Å; F198-S201 WeakPolarHBondContact O-CA 3.3Å; F198-S201 PolarHBondContact O-N 3.46Å; F198-S201 PolarHBondContact O-OG 3.19Å; M199-S201 VanDerWaalsContact C-N 3.34Å; S201-D203 PolarHBondContact O-N 2.79Å
202M54.1Low53.4Low69 Ų6985 Ų8534%0.3445%0.447SS..  trans-80.886.7-168.1-133.1-115154.300112.2F198 M200 T204F198-M202 HydrophobicContact CE1-CG 4.17Å; F198-M202 HydrophobicContact CZ-CG 3.96Å; F198-M202 PolarHBondContact O-N 2.91Å; M200-M202 VanDerWaalsContact C-N 3.29Å; M200-M202 PolarHBondContact O-N 3.28Å; M202-T204 WeakPolarHBondContact CE-O 3.34Å; M202-T204 PolarHBondContact O-N 3.08Å
203D48.5Very low50.9Low78 Ų7892.1 Ų92.142%0.41749%0.485SS..  trans-71.2-10.5178.3-82.3-32.3000114.2S201 V290S201-D203 PolarHBondContact O-N 2.79Å; D203-V290 WeakPolarHBondContact OD1-CG2 3.29Å
204T44Very low48.5Very low104 Ų10497.2 Ų97.264%0.63851%0.513SS*.  trans-124.881.3-157.9-40.90000112.2M202M202-T204 WeakPolarHBondContact CE-O 3.34Å; M202-T204 PolarHBondContact O-N 3.08Å
205L34.6Very low46.4Very low124 Ų12498 Ų9865%0.64953%0.528SS*.  trans-171.794.4138.7-95.9166000106.3L207L205-L207 PolarHBondContact O-N 3.4Å
206M36.8Very low44.4Very low177 Ų177104.2 Ų104.287%0.87256%0.561SS**  trans-46.8130.7165-82.4-82.8150.800109.2
207L37.4Very low42.6Very low80 Ų80110.6 Ų110.642%0.41960%0.6SS.*  trans-43.1135.8160.7-80.4125.2000109L205 N209 P440L205-L207 PolarHBondContact O-N 3.4Å; L207-N209 VanDerWaalsContact C-N 3.34Å; L207-N209 PolarHBondContact O-N 3.47Å; L207-P440 HydrophobicContact CD2-CB 4.44Å; L207-P440 HydrophobicContact CD2-CG 3.33Å
208P31.1Very low41Very low119 Ų119111.7 Ų111.777%0.77361%0.606SS**  trans-69.491.6-17228-32.8000109.8
209N31.5Very low39.4Very low141 Ų141114.9 Ų114.975%0.75463%0.63SS**  trans-84.7113.8158.5-87.7-7.5000107.6L207L207-N209 VanDerWaalsContact C-N 3.34Å; L207-N209 PolarHBondContact O-N 3.47Å
210D28.8Very low37.9Very low145 Ų145122.4 Ų122.478%0.77567%0.668SS**SBendtrans62.6116.3149.4-53-32.9000118.7
211N30.7Very low36.4Very low158 Ų158128.7 Ų128.785%0.84570%0.702SS**  trans88.298.2171.6-69.6-25.7000118.6N213N211-N213 PolarHBondContact O-N 2.91Å
212Y27.5Very low35Very low211 Ų211133.7 Ų133.783%0.82772%0.723SS**  3.2115.3122.6-105.3-103.3000114.8
213N28.7Very low33.9Very low149 Ų149133.6 Ų133.680%0.79774%0.74SS**  -165.5106.6122.2-85.9-25.7000109.9N211 A215N211-N213 PolarHBondContact O-N 2.91Å; N213-A215 PolarHBondContact O-N 3.19Å
214D29.6Very low33.3Very low168 Ų168136.5 Ų136.590%0.89876%0.756SS**THydrogen-bonded Turntrans-62.686.2169.2-161.114.8000109
215A35Very low33.5Very low82 Ų82138 Ų13868%0.67876%0.76SS**THydrogen-bonded Turntrans-162.9-11.1176.900000117.4N213N213-A215 PolarHBondContact O-N 3.19Å
216N32.7Very low34.2Very low131 Ų131136.2 Ų136.270%0.70175%0.751SS**  trans-131.221.8-165.7-86-7.4000116.9D218 T219N216-D218 PolarHBondContact O-N 2.86Å; N216-T219 PolarHBondContact O-OG1 2.97Å
217V36.4Very low35Very low139 Ų139129.5 Ų129.584%0.84273%0.727SS**G310 helixtrans-73.3-13.3179.2179.40000113.2T219V217-T219 PolarHBondContact O-N 3.46Å
218D34.6Very low36.2Very low143 Ų143130 Ų13077%0.76573%0.731SS**G310 helixtrans-87.114.3-176.1-70.7-27.9000116N216N216-D218 PolarHBondContact O-N 2.86Å
219T35.1Very low38Very low112 Ų112128 Ų12869%0.68771%0.711SS**G310 helixtrans-118.118.3-173.7150000117.3N216 V217N216-T219 PolarHBondContact O-OG1 2.97Å; V217-T219 PolarHBondContact O-N 3.46Å
220I34.2Very low39.8Very low167 Ų167123.5 Ų123.586%0.85669%0.686SS**  trans-113.452.5170.2-45.5178.8000110.1
221N33.3Very low41.9Very low140 Ų140123 Ų12375%0.74968%0.677SS**  trans-116.316.1-177.8-94.1-22.4000114.4
222D31Very low44.3Very low170 Ų170119.9 Ų119.991%0.90966%0.66SS**SBendtrans-142111.5174.7-98.4-33000112
223G30.2Very low46.7Very low67 Ų67109.9 Ų109.969%0.69162%0.621SS**SBendtrans104.790.5160.800000117.3
224N36.2Very low49Very low140 Ų140105.8 Ų105.875%0.74960%0.599SS**  trans149.6134.7134-81-23.1000110.7N226N224-N226 PolarHBondContact O-N 3.18Å
225D48.6Very low51.5Low134 Ų134101.3 Ų101.372%0.71757%0.572SS**THydrogen-bonded Turntrans-46.43.7-174.8-63.5-40.4000118
226N48.5Very low53.6Low87 Ų8798 Ų9847%0.46554%0.543SS..THydrogen-bonded Turntrans-88.6-20.7-164.4-61.8-17.8000113.7F198 N224 D228F198-N226 HydrophobicContact CE2-CB 3.84Å; N224-N226 PolarHBondContact O-N 3.18Å; N226-D228 VanDerWaalsContact C-N 3.32Å
227G54.3Low55.8Low36 Ų3691.8 Ų91.837%0.37151%0.51SS..Hα-helixtrans-78.9-15.1175.700000114K231G227-K231 VanDerWaalsContact O-CG 3.26Å; G227-K231 WeakPolarHBondContact O-CG 3.29Å; G227-K231 PolarHBondContact O-N 3.07Å
228D63Low57.8Low92 Ų9288.7 Ų88.749%0.49249%0.488SS..Hα-helixtrans-77.7-28.9-170.7-68.5-15.9000112.6N226 K231 L232N226-D228 VanDerWaalsContact C-N 3.32Å; D228-K231 PolarHBondContact O-N 2.74Å; D228-K231 IonicContact OD1-NZ 3.5Å; D228-L232 VanDerWaalsContact O-CB 3.29Å; D228-L232 WeakPolarHBondContact O-CB 3.42Å; D228-L232 PolarHBondContact O-N 3.39Å
229Q68.5Low60.1Low76 Ų7682 Ų8236%0.35545%0.453SS..Hα-helixtrans-67.8-47.1177.4-66.7177-7.900111.9K231 L232 T233Q229-K231 VanDerWaalsContact C-N 3.33Å; Q229-K231 PolarHBondContact O-N 3.39Å; Q229-L232 PolarHBondContact O-N 3.43Å; Q229-T233 PolarHBondContact O-N 3.44Å; Q229-T233 PolarHBondContact O-OG1 3.21Å
230L69.9Low62.2Low46 Ų4676.7 Ų76.724%0.24142%0.42CS..Hα-helixtrans-61.1-43.7175.4-177.868.3000111.1L195 L232 T233 L234 A356 L358L195-L230 HydrophobicContact CD1-CB 4.14Å; L195-L230 HydrophobicContact CD1-CD1 3.97Å; L195-L230 HydrophobicContact CD2-CD1 4.3Å; L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 PolarHBondContact O-N 3.01Å; L230-T233 PolarHBondContact O-N 3.34Å; L230-L234 HydrophobicContact CD1-CD1 4.45Å; L230-L234 HydrophobicContact CG-CD1 4.03Å; L230-L234 WeakPolarHBondContact O-CB 3.1Å; L230-L234 VanDerWaalsContact O-CG 3.3Å; L230-L234 WeakPolarHBondContact O-CG 3.26Å; L230-L234 PolarHBondContact O-N 3.44Å; L230-A356 HydrophobicContact CD1-CB 4.17Å; L230-L358 HydrophobicContact CD1-CD2 4.26Å
231K72.7Confident64.3Low136 Ų13669.9 Ų69.959%0.59139%0.387SS*.Hα-helixtrans-60.1-41.2175.3-71.9171.6-170.9169.30111.6G227 D228 Q229 L234 H235G227-K231 VanDerWaalsContact O-CG 3.26Å; G227-K231 WeakPolarHBondContact O-CG 3.29Å; G227-K231 PolarHBondContact O-N 3.07Å; D228-K231 PolarHBondContact O-N 2.74Å; D228-K231 IonicContact OD1-NZ 3.5Å; Q229-K231 VanDerWaalsContact C-N 3.33Å; Q229-K231 PolarHBondContact O-N 3.39Å; K231-L234 PolarHBondContact O-N 3.49Å; K231-H235 VanDerWaalsContact O-CB 3.23Å; K231-H235 WeakPolarHBondContact O-CB 3.29Å; K231-H235 PolarHBondContact O-N 2.93Å
232L79.8Confident66.3Low92 Ų9267.5 Ų67.548%0.48237%0.368SS..Hα-helixtrans-66.3-44.2178.4-177.1133.4000111.9S191 D228 Q229 L230 H235 L236S191-L232 VanDerWaalsContact CB-CD2 3.46Å; D228-L232 VanDerWaalsContact O-CB 3.29Å; D228-L232 WeakPolarHBondContact O-CB 3.42Å; D228-L232 PolarHBondContact O-N 3.39Å; Q229-L232 PolarHBondContact O-N 3.43Å; L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 PolarHBondContact O-N 3.01Å; L232-H235 WeakPolarHBondContact O-CB 3.49Å; L232-H235 PolarHBondContact O-N 3.15Å; L232-L236 HydrophobicContact CD2-CD1 3.81Å; L232-L236 HydrophobicContact CG-CD1 4.42Å; L232-L236 WeakPolarHBondContact O-CG 3.48Å; L232-L236 PolarHBondContact O-N 2.83Å
233T78.4Confident68.6Low1 Ų159.6 Ų59.61%0.00633%0.325CS..Hα-helixtrans-61.9-46.4174.8-56.50000111.3L188 S191 F192 L195 Q229 L230 H235 L236 I237 L358L188-T233 HydrophobicContact CD1-CG2 4.47Å; S191-T233 WeakPolarHBondContact CB-OG1 3.42Å; S191-T233 PolarHBondContact OG-OG1 3.45Å; F192-T233 HydrophobicContact CD1-CG2 3.54Å; F192-T233 HydrophobicContact CE1-CG2 3.39Å; F192-T233 HydrophobicContact CZ-CG2 4.48Å; L195-T233 HydrophobicContact CD2-CG2 4.23Å; Q229-T233 PolarHBondContact O-N 3.44Å; Q229-T233 PolarHBondContact O-OG1 3.21Å; L230-T233 PolarHBondContact O-N 3.34Å; T233-H235 VanDerWaalsContact C-N 3.3Å; T233-H235 PolarHBondContact O-N 3.29Å; T233-L236 PolarHBondContact O-N 2.94Å; T233-I237 HydrophobicContact CG2-CD1 3.98Å; T233-I237 VanDerWaalsContact O-CG1 3.29Å; T233-I237 WeakPolarHBondContact O-CG1 3.46Å; T233-I237 PolarHBondContact O-N 3.1Å; T233-L358 HydrophobicContact CG2-CD2 3.91Å
234L77.3Confident70.7Confident62 Ų6259.2 Ų59.233%0.32532%0.322SS..Hα-helixtrans-61.5-38.5175.8-72.9171.3000112L230 K231 I237 N238 L358L230-L234 HydrophobicContact CD1-CD1 4.45Å; L230-L234 HydrophobicContact CG-CD1 4.03Å; L230-L234 WeakPolarHBondContact O-CB 3.1Å; L230-L234 VanDerWaalsContact O-CG 3.3Å; L230-L234 WeakPolarHBondContact O-CG 3.26Å; L230-L234 PolarHBondContact O-N 3.44Å; K231-L234 PolarHBondContact O-N 3.49Å; L234-I237 PolarHBondContact O-N 2.83Å; L234-N238 VanDerWaalsContact O-CB 3.26Å; L234-N238 WeakPolarHBondContact O-CB 3.43Å; L234-N238 PolarHBondContact O-N 3.08Å; L234-L358 HydrophobicContact CD2-CD2 4.22Å
235H81.4Confident72.7Confident75 Ų7555.7 Ų55.735%0.34730%0.298SS..Hα-helixtrans-61.1-49.3175.4-174.862.5000111.5D144 K231 L232 T233 I237 N238 L239D144-H235 VanDerWaalsContact CG-NE2 3.3Å; D144-H235 IonicContact OD1-CE1 3.84Å; D144-H235 PolarHBondContact OD1-CE1 2.91Å; D144-H235 IonicContact OD1-NE2 3Å; D144-H235 PolarHBondContact OD1-NE2 3.41Å; D144-H235 IonicContact OD2-CE1 3.69Å; D144-H235 IonicContact OD2-NE2 2.73Å; D144-H235 PolarHBondContact OD2-NE2 3.31Å; K231-H235 VanDerWaalsContact O-CB 3.23Å; K231-H235 WeakPolarHBondContact O-CB 3.29Å; K231-H235 PolarHBondContact O-N 2.93Å; L232-H235 WeakPolarHBondContact O-CB 3.49Å; L232-H235 PolarHBondContact O-N 3.15Å; T233-H235 VanDerWaalsContact C-N 3.3Å; T233-H235 PolarHBondContact O-N 3.29Å; H235-I237 VanDerWaalsContact C-N 3.34Å; H235-I237 PolarHBondContact O-N 3.05Å; H235-N238 WeakPolarHBondContact O-CB 3.2Å; H235-N238 PolarHBondContact O-N 3.21Å; H235-L239 VanDerWaalsContact O-CG 3.29Å; H235-L239 WeakPolarHBondContact O-CG 3.5Å; H235-L239 PolarHBondContact O-N 3.48Å
236L79.4Confident73.8Confident11 Ų1152.2 Ų52.26%0.05828%0.277CS..Hα-helixtrans-64-38.1178.6-66.6171.2000112.5I184 K187 L188 L232 T233 L239 L240I184-L236 HydrophobicContact CG2-CB 4.39Å; I184-L236 HydrophobicContact CG2-CD2 4.24Å; K187-L236 HydrophobicContact CB-CD1 4.16Å; L188-L236 HydrophobicContact CB-CD1 4.49Å; L188-L236 HydrophobicContact CD1-CB 3.82Å; L232-L236 HydrophobicContact CD2-CD1 3.81Å; L232-L236 HydrophobicContact CG-CD1 4.42Å; L232-L236 WeakPolarHBondContact O-CG 3.48Å; L232-L236 PolarHBondContact O-N 2.83Å; T233-L236 PolarHBondContact O-N 2.94Å; L236-L239 HydrophobicContact CD2-CD1 4.33Å; L236-L239 PolarHBondContact O-N 3.17Å; L236-L240 PolarHBondContact O-N 2.91Å
237I78.3Confident75.1Confident2 Ų253.8 Ų53.81%0.0129%0.286CS..Hα-helixtrans-64.4-45.2173.4-67.2168.5000110.3L188 F192 T233 L234 H235 L239 L240 C241 L358 F360L188-I237 HydrophobicContact CD1-CG1 3.88Å; F192-I237 HydrophobicContact CE1-CD1 4.14Å; F192-I237 HydrophobicContact CZ-CD1 4.33Å; T233-I237 HydrophobicContact CG2-CD1 3.98Å; T233-I237 VanDerWaalsContact O-CG1 3.29Å; T233-I237 WeakPolarHBondContact O-CG1 3.46Å; T233-I237 PolarHBondContact O-N 3.1Å; L234-I237 PolarHBondContact O-N 2.83Å; H235-I237 VanDerWaalsContact C-N 3.34Å; H235-I237 PolarHBondContact O-N 3.05Å; I237-L239 VanDerWaalsContact C-N 3.32Å; I237-L239 PolarHBondContact O-N 3.4Å; I237-L240 PolarHBondContact O-N 3.29Å; I237-C241 PolarHBondContact O-N 3.23Å; I237-C241 PolarHBondContact O-SG 3.01Å; I237-L358 HydrophobicContact CD1-CD2 4.08Å; I237-F360 HydrophobicContact CD1-CE1 4Å; I237-F360 HydrophobicContact CD1-CZ 4.18Å; I237-F360 HydrophobicContact CG1-CE1 4.42Å; I237-F360 HydrophobicContact CG2-CD1 4.41Å
238N79.9Confident76.3Confident73 Ų7352.7 Ų52.739%0.3927%0.273SS..Hα-helixtrans-59.6-42.4177.6-170.8-31.6000111.5L234 H235 L240 C241 R242 C362L234-N238 VanDerWaalsContact O-CB 3.26Å; L234-N238 WeakPolarHBondContact O-CB 3.43Å; L234-N238 PolarHBondContact O-N 3.08Å; H235-N238 WeakPolarHBondContact O-CB 3.2Å; H235-N238 PolarHBondContact O-N 3.21Å; N238-L240 PolarHBondContact O-N 3.46Å; N238-C241 WeakPolarHBondContact O-CB 3.18Å; N238-C241 PolarHBondContact O-N 3.14Å; N238-C241 VanDerWaalsContact O-N 3.14Å; N238-R242 WeakPolarHBondContact O-CG 3.5Å; N238-R242 PolarHBondContact O-N 3.26Å; N238-R242 WeakPolarHBondContact OD1-CD 3.43Å; N238-R242 WeakPolarHBondContact OD1-CG 3.43Å; N238-C362 VanDerWaalsContact CA-SG 3.59Å
239L81.4Confident76.9Confident3 Ų348.3 Ų48.32%0.01625%0.25CC..Hα-helixtrans-58.3-45.3174.9-68.5167.6000112.2I143 D144 C147 I184 H235 L236 I237 C241 R242 I243I143-L239 HydrophobicContact CG2-CD1 3.73Å; D144-L239 VanDerWaalsContact OD1-CD2 3.31Å; D144-L239 WeakPolarHBondContact OD1-CD2 3.37Å; C147-L239 HydrophobicContact CB-CD2 3.76Å; C147-L239 WeakPolarHBondContact SG-CD2 3.14Å; I184-L239 HydrophobicContact CD1-CB 4.09Å; H235-L239 VanDerWaalsContact O-CG 3.29Å; H235-L239 WeakPolarHBondContact O-CG 3.5Å; H235-L239 PolarHBondContact O-N 3.48Å; L236-L239 HydrophobicContact CD2-CD1 4.33Å; L236-L239 PolarHBondContact O-N 3.17Å; I237-L239 VanDerWaalsContact C-N 3.32Å; I237-L239 PolarHBondContact O-N 3.4Å; L239-C241 VanDerWaalsContact C-N 3.33Å; L239-C241 PolarHBondContact O-N 2.95Å; L239-R242 PolarHBondContact O-N 3.02Å; L239-I243 WeakPolarHBondContact O-CD1 3.35Å; L239-I243 WeakPolarHBondContact O-CG1 3.4Å; L239-I243 PolarHBondContact O-N 3.15Å; L239-I243 VanDerWaalsContact O-N 3.15Å
240L79.8Confident77.3Confident1 Ų147.5 Ų47.51%0.00524%0.243CC..Hα-helixtrans-63.4-38.3175.2-72.1172.4000112.6E181 I184 L188 L236 I237 N238 I243 G244 R245 A249E181-L240 HydrophobicContact CG-CD2 4.25Å; I184-L240 HydrophobicContact CB-CD2 4.32Å; I184-L240 HydrophobicContact CD1-CD2 4.18Å; I184-L240 HydrophobicContact CD1-CG 4.49Å; I184-L240 HydrophobicContact CG2-CD1 4.04Å; I184-L240 HydrophobicContact CG2-CD2 4.1Å; I184-L240 HydrophobicContact CG2-CG 3.89Å; L188-L240 HydrophobicContact CD2-CD1 3.76Å; L236-L240 PolarHBondContact O-N 2.91Å; I237-L240 PolarHBondContact O-N 3.29Å; N238-L240 PolarHBondContact O-N 3.46Å; L240-I243 PolarHBondContact O-N 3.29Å; L240-G244 PolarHBondContact O-N 3.2Å; L240-R245 WeakPolarHBondContact O-CA 3.44Å; L240-R245 PolarHBondContact O-N 3.36Å; L240-A249 HydrophobicContact CB-CB 4.19Å; L240-A249 HydrophobicContact CD1-CB 3.75Å
241C78.7Confident77.8Confident24 Ų2452 Ų5216%0.16226%0.261CS..Hα-helixtrans-65.6-43.6175-71.90000112.1I237 N238 L239 I243 G244 C362I237-C241 PolarHBondContact O-N 3.23Å; I237-C241 PolarHBondContact O-SG 3.01Å; N238-C241 WeakPolarHBondContact O-CB 3.18Å; N238-C241 PolarHBondContact O-N 3.14Å; N238-C241 VanDerWaalsContact O-N 3.14Å; L239-C241 VanDerWaalsContact C-N 3.33Å; L239-C241 PolarHBondContact O-N 2.95Å; C241-I243 PolarHBondContact O-N 3.18Å; C241-G244 WeakPolarHBondContact O-CA 3.3Å; C241-G244 PolarHBondContact O-N 3.26Å; C241-C362 HydrophobicContact CB-CB 3.37Å
242R76.1Confident78.3Confident90 Ų9048.6 Ų48.634%0.3425%0.245SC..Hα-helixtrans-60.1-32.9176.4-74.6178.965.8-164.8-2.1113S148 E151 N238 L239 G244S148-R242 PolarHBondContact OG-NH2 3.31Å; E151-R242 IonicContact OE2-CZ 3.95Å; E151-R242 VanDerWaalsContact OE2-CZ 3.3Å; E151-R242 IonicContact OE2-NE 3.15Å; E151-R242 PolarHBondContact OE2-NE 2.97Å; E151-R242 IonicContact OE2-NH2 3.72Å; E151-R242 PolarHBondContact OE2-NH2 3.37Å; N238-R242 WeakPolarHBondContact O-CG 3.5Å; N238-R242 PolarHBondContact O-N 3.26Å; N238-R242 WeakPolarHBondContact OD1-CD 3.43Å; N238-R242 WeakPolarHBondContact OD1-CG 3.43Å; L239-R242 PolarHBondContact O-N 3.02Å; R242-G244 PolarHBondContact O-N 3.33Å
243I79.4Confident78.3Confident3 Ų344.3 Ų44.32%0.01522%0.222CC..THydrogen-bonded Turntrans-75.9-13.9176.5-61157.1000112.1I150 K177 L180 I184 L239 L240 C241 R245I150-I243 HydrophobicContact CG2-CG2 4.47Å; K177-I243 HydrophobicContact CB-CG2 3.74Å; K177-I243 HydrophobicContact CD-CG2 3.73Å; K177-I243 WeakPolarHBondContact CD-O 3.41Å; K177-I243 WeakPolarHBondContact CE-O 3.11Å; K177-I243 HydrophobicContact CG-CG2 3.48Å; K177-I243 VanDerWaalsContact CG-CG2 3.48Å; K177-I243 PolarHBondContact NZ-O 3.22Å; L180-I243 HydrophobicContact CB-CD1 4.42Å; L180-I243 HydrophobicContact CD2-CD1 3.21Å; L180-I243 HydrophobicContact CD2-CG1 3.76Å; L180-I243 HydrophobicContact CG-CD1 3.56Å; I184-I243 HydrophobicContact CD1-CD1 3.96Å; L239-I243 WeakPolarHBondContact O-CD1 3.35Å; L239-I243 WeakPolarHBondContact O-CG1 3.4Å; L239-I243 PolarHBondContact O-N 3.15Å; L239-I243 VanDerWaalsContact O-N 3.15Å; L240-I243 PolarHBondContact O-N 3.29Å; C241-I243 PolarHBondContact O-N 3.18Å; I243-R245 HydrophobicContact CG2-CG 4.2Å
244G74.2Confident78.2Confident60 Ų6045.4 Ų45.462%0.61923%0.229SC*.THydrogen-bonded Turntrans83.526.5-174.200000113.6L240 C241 R242L240-G244 PolarHBondContact O-N 3.2Å; C241-G244 WeakPolarHBondContact O-CA 3.3Å; C241-G244 PolarHBondContact O-N 3.26Å; R242-G244 PolarHBondContact O-N 3.33Å
245R76.3Confident78.5Confident65 Ų6546.6 Ų46.625%0.24524%0.236CC..  trans-114.139.6179.9-69.1-69176.3115.5-1112.7N178 E181 L240 I243 N247 A248 A249N178-R245 PolarHBondContact OD1-NH1 2.99Å; N178-R245 PolarHBondContact OD1-NH2 3.32Å; E181-R245 IonicContact OE2-CZ 3.85Å; E181-R245 IonicContact OE2-NE 2.71Å; E181-R245 IonicContact OE2-NH1 3.46Å; E181-R245 PolarHBondContact OE2-NH1 2.82Å; L240-R245 WeakPolarHBondContact O-CA 3.44Å; L240-R245 PolarHBondContact O-N 3.36Å; I243-R245 HydrophobicContact CG2-CG 4.2Å; R245-N247 VanDerWaalsContact C-N 3.31Å; R245-N247 PolarHBondContact O-N 3.48Å; R245-A248 HydrophobicContact CB-CB 4.24Å; R245-A248 WeakPolarHBondContact O-CB 3.5Å; R245-A248 PolarHBondContact O-N 3.28Å; R245-A249 PolarHBondContact O-N 3.27Å
246E73.3Confident78.7Confident62 Ų6243.2 Ų43.229%0.2922%0.22SC..Hα-helixtrans-54.7-44.1177.6-175.1-176.4170.600112.7A248 A249 R250 H361E246-A248 PolarHBondContact O-N 3.25Å; E246-A249 WeakPolarHBondContact O-CB 3.39Å; E246-A249 PolarHBondContact O-N 2.97Å; E246-A249 VanDerWaalsContact O-N 3.15Å; E246-R250 PolarHBondContact O-N 2.69Å; E246-R250 VanDerWaalsContact O-N 3.11Å; E246-H361 IonicContact OE1-CE1 3.22Å; E246-H361 PolarHBondContact OE1-CE1 3.16Å; E246-H361 VanDerWaalsContact OE1-CE1 3.31Å; E246-H361 IonicContact OE1-ND1 3.36Å; E246-H361 PolarHBondContact OE1-ND1 3.41Å
247N75.4Confident78.8Confident120 Ų12042.7 Ų42.764%0.64222%0.217SC*.Hα-helixtrans-61.6-28.6178.6-69.2-34.6000113.2R245 K251R245-N247 VanDerWaalsContact C-N 3.31Å; R245-N247 PolarHBondContact O-N 3.48Å; N247-K251 VanDerWaalsContact O-CG 3.24Å; N247-K251 WeakPolarHBondContact O-CG 3.38Å; N247-K251 PolarHBondContact O-N 3.09Å; N247-K251 VanDerWaalsContact O-N 3.16Å
248A79.3Confident79.1Confident12 Ų1245.7 Ų45.710%0.09923%0.23CC..Hα-helixtrans-73.5-43.7176.500000110.7E181 R245 E246 R250 K251 Y252E181-A248 VanDerWaalsContact OE1-CB 3.26Å; E181-A248 WeakPolarHBondContact OE1-CB 3.47Å; R245-A248 HydrophobicContact CB-CB 4.24Å; R245-A248 WeakPolarHBondContact O-CB 3.5Å; R245-A248 PolarHBondContact O-N 3.28Å; E246-A248 PolarHBondContact O-N 3.25Å; A248-R250 VanDerWaalsContact C-N 3.33Å; A248-R250 PolarHBondContact O-N 3.37Å; A248-K251 WeakPolarHBondContact O-CB 3.06Å; A248-K251 PolarHBondContact O-N 3.14Å; A248-K251 VanDerWaalsContact O-N 3.09Å; A248-Y252 HydrophobicContact CB-CD2 4.45Å; A248-Y252 HydrophobicContact CB-CE2 4.11Å; A248-Y252 WeakPolarHBondContact O-CD2 3.16Å; A248-Y252 PolarHBondContact O-N 2.91Å
249A75.8Confident79.3Confident1 Ų148.3 Ų48.31%0.00824%0.24CC..Hα-helixtrans-56.3-46.4175.300000111.7L240 R245 E246 K251 Y252 Y253 F360L240-A249 HydrophobicContact CB-CB 4.19Å; L240-A249 HydrophobicContact CD1-CB 3.75Å; R245-A249 PolarHBondContact O-N 3.27Å; E246-A249 WeakPolarHBondContact O-CB 3.39Å; E246-A249 PolarHBondContact O-N 2.97Å; E246-A249 VanDerWaalsContact O-N 3.15Å; A249-K251 VanDerWaalsContact C-N 3.35Å; A249-K251 PolarHBondContact O-N 3.4Å; A249-Y252 PolarHBondContact O-N 3.46Å; A249-Y253 WeakPolarHBondContact O-CB 3.4Å; A249-Y253 PolarHBondContact O-N 2.75Å; A249-F360 HydrophobicContact CB-CE1 4.48Å
250R75.7Confident79.4Confident59 Ų5949 Ų4922%0.22324%0.243CC..Hα-helixtrans-62.4-38.8175.8-166.1-179.9-62.6-151-4.2112.4E246 A248 Y253 T254 E392E246-R250 PolarHBondContact O-N 2.69Å; E246-R250 VanDerWaalsContact O-N 3.11Å; A248-R250 VanDerWaalsContact C-N 3.33Å; A248-R250 PolarHBondContact O-N 3.37Å; R250-Y253 PolarHBondContact O-N 3.38Å; R250-T254 WeakPolarHBondContact O-CB 3.47Å; R250-T254 WeakPolarHBondContact O-CG2 3.42Å; R250-T254 PolarHBondContact O-N 3.17Å; R250-T254 PolarHBondContact O-OG1 3.48Å; R250-E392 IonicContact CZ-OE1 3.8Å; R250-E392 IonicContact CZ-OE2 3.48Å; R250-E392 IonicContact NH1-OE1 2.78Å; R250-E392 PolarHBondContact NH1-OE1 3.15Å; R250-E392 IonicContact NH2-OE1 2.64Å; R250-E392 PolarHBondContact NH2-OE1 3.46Å; R250-E392 IonicContact NH2-OE2 2.76Å; R250-E392 PolarHBondContact NH2-OE2 3.02Å
251K81.2Confident79.6Confident140 Ų14049 Ų4961%0.60924%0.243SC*.Hα-helixtrans-65.6-41.9174.8-77173.9-176.5-178.80112.8N247 A248 A249 T254 N255N247-K251 VanDerWaalsContact O-CG 3.24Å; N247-K251 WeakPolarHBondContact O-CG 3.38Å; N247-K251 PolarHBondContact O-N 3.09Å; N247-K251 VanDerWaalsContact O-N 3.16Å; A248-K251 WeakPolarHBondContact O-CB 3.06Å; A248-K251 PolarHBondContact O-N 3.14Å; A248-K251 VanDerWaalsContact O-N 3.09Å; A249-K251 VanDerWaalsContact C-N 3.35Å; A249-K251 PolarHBondContact O-N 3.4Å; K251-T254 WeakPolarHBondContact CA-OG1 3.3Å; K251-T254 PolarHBondContact O-OG1 2.93Å; K251-T254 VanDerWaalsContact O-OG1 3.07Å; K251-N255 WeakPolarHBondContact O-CB 3.4Å; K251-N255 VanDerWaalsContact O-CG 3.3Å; K251-N255 PolarHBondContact O-N 3.05Å; K251-N255 PolarHBondContact O-ND2 3.4Å
252Y82.5Confident79.8Confident64 Ų6451.6 Ų51.625%0.25126%0.255SS..Hα-helixtrans-64.5-43.2176-70.3-57.7000111.2E181 A185 A248 A249 W256E181-Y252 HydrophobicContact CG-CE2 4.23Å; E181-Y252 PolarHBondContact OE1-OH 3.45Å; A185-Y252 HydrophobicContact CB-CE1 3.98Å; A185-Y252 HydrophobicContact CB-CE2 3.95Å; A248-Y252 HydrophobicContact CB-CD2 4.45Å; A248-Y252 HydrophobicContact CB-CE2 4.11Å; A248-Y252 WeakPolarHBondContact O-CD2 3.16Å; A248-Y252 PolarHBondContact O-N 2.91Å; A249-Y252 PolarHBondContact O-N 3.46Å; Y252-W256 VanDerWaalsContact O-CB 3.23Å; Y252-W256 WeakPolarHBondContact O-CB 3.23Å; Y252-W256 PolarHBondContact O-N 3.18Å
253Y80Confident80.1Confident2 Ų248.2 Ų48.21%0.00825%0.248CC..Hα-helixtrans-62.1-49.5175.7176.5-105.8000113F192 A249 R250 N255 W256 L257 Q353 L358 F360 L393F192-Y253 HydrophobicContact CE1-CD2 4.11Å; F192-Y253 HydrophobicContact CE2-CD2 4.45Å; F192-Y253 HydrophobicContact CZ-CD2 4.02Å; A249-Y253 WeakPolarHBondContact O-CB 3.4Å; A249-Y253 PolarHBondContact O-N 2.75Å; R250-Y253 PolarHBondContact O-N 3.38Å; Y253-N255 VanDerWaalsContact C-N 3.35Å; Y253-N255 PolarHBondContact O-N 2.9Å; Y253-W256 HydrophobicContact CD2-CE3 4.03Å; Y253-W256 HydrophobicContact CD2-CZ3 4.26Å; Y253-W256 HydrophobicContact CE2-CE3 4.1Å; Y253-W256 AromaticContact CE2-CZ3 3.89Å; Y253-W256 HydrophobicContact CE2-CZ3 3.89Å; Y253-W256 PolarHBondContact O-N 3.29Å; Y253-L257 HydrophobicContact CE1-CD1 3.95Å; Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 PolarHBondContact O-N 3.4Å; Y253-Q353 PolarHBondContact OH-OE1 3.33Å; Y253-Q353 VanDerWaalsContact OH-OE1 3.04Å; Y253-L358 HydrophobicContact CE2-CD1 4.07Å; Y253-F360 HydrophobicContact CD1-CD2 4.38Å; Y253-F360 AromaticContact CD1-CE2 3.47Å; Y253-F360 HydrophobicContact CD1-CE2 3.47Å; Y253-F360 VanDerWaalsContact CD1-CE2 3.47Å; Y253-F360 AromaticContact CD1-CZ 3.68Å; Y253-F360 HydrophobicContact CD1-CZ 3.68Å; Y253-F360 AromaticContact CD2-CE2 3.82Å; Y253-F360 HydrophobicContact CD2-CE2 3.82Å; Y253-F360 AromaticContact CD2-CZ 3.52Å; Y253-F360 HydrophobicContact CD2-CZ 3.52Å; Y253-F360 AromaticContact CE1-CE2 3.75Å; Y253-F360 HydrophobicContact CE1-CE2 3.75Å; Y253-F360 HydrophobicContact CE1-CZ 4.33Å; Y253-F360 HydrophobicContact CE2-CE2 4.06Å; Y253-F360 HydrophobicContact CE2-CZ 4.19Å; Y253-F360 HydrophobicContact CG-CE1 4.2Å; Y253-F360 AromaticContact CG-CE2 3.51Å; Y253-F360 HydrophobicContact CG-CE2 3.51Å; Y253-F360 AromaticContact CG-CZ 3.21Å; Y253-F360 HydrophobicContact CG-CZ 3.21Å; Y253-L393 VanDerWaalsContact OH-CD1 3.22Å; Y253-L393 WeakPolarHBondContact OH-CD1 3.19Å
254T77.9Confident80.3Confident24 Ų2448.1 Ų48.115%0.14725%0.247CC..Hα-helixtrans-63.8-37.5179.3480000112.7R250 K251 K258 D396R250-T254 WeakPolarHBondContact O-CB 3.47Å; R250-T254 WeakPolarHBondContact O-CG2 3.42Å; R250-T254 PolarHBondContact O-N 3.17Å; R250-T254 PolarHBondContact O-OG1 3.48Å; K251-T254 WeakPolarHBondContact CA-OG1 3.3Å; K251-T254 PolarHBondContact O-OG1 2.93Å; K251-T254 VanDerWaalsContact O-OG1 3.07Å; T254-K258 WeakPolarHBondContact O-CG 3.27Å; T254-K258 PolarHBondContact O-N 2.91Å; T254-K258 VanDerWaalsContact O-N 3.15Å; T254-D396 HydrophobicContact CG2-CB 3.91Å
255N83.7Confident80.7Confident87 Ų8746.4 Ų46.447%0.46522%0.222SC..Hα-helixtrans-68.4-43.2173.9-74.9-16.3000112K251 Y253 L257 K258 E259K251-N255 WeakPolarHBondContact O-CB 3.4Å; K251-N255 VanDerWaalsContact O-CG 3.3Å; K251-N255 PolarHBondContact O-N 3.05Å; K251-N255 PolarHBondContact O-ND2 3.4Å; Y253-N255 VanDerWaalsContact C-N 3.35Å; Y253-N255 PolarHBondContact O-N 2.9Å; N255-L257 VanDerWaalsContact C-N 3.32Å; N255-L257 PolarHBondContact O-N 3.18Å; N255-K258 WeakPolarHBondContact O-CB 3.45Å; N255-K258 PolarHBondContact O-N 3.04Å; N255-E259 PolarHBondContact O-N 3.17Å; N255-E259 VanDerWaalsContact O-N 3.09Å
256W85.4Confident80.9Confident4 Ų447.1 Ų47.12%0.01523%0.231CC..Hα-helixtrans-60.5-42.2174.4171.481000111.7F192 D193 Y252 Y253 K258 E259 Q260 F349F192-W256 VanDerWaalsContact C-CZ2 3.49Å; F192-W256 HydrophobicContact CB-CD2 3.63Å; F192-W256 HydrophobicContact CB-CE3 4.17Å; F192-W256 HydrophobicContact CB-CG 3.99Å; F192-W256 HydrophobicContact CB-CH2 4.2Å; F192-W256 HydrophobicContact CB-CZ2 3.68Å; F192-W256 HydrophobicContact CB-CZ3 4.43Å; F192-W256 HydrophobicContact CD2-CB 4.32Å; F192-W256 HydrophobicContact CD2-CD2 4.24Å; F192-W256 HydrophobicContact CD2-CG 4.11Å; F192-W256 HydrophobicContact CG-CD2 4.13Å; F192-W256 HydrophobicContact CG-CE3 4.35Å; F192-W256 HydrophobicContact CG-CG 4.41Å; F192-W256 WeakPolarHBondContact O-CZ2 3.49Å; D193-W256 PolarHBondContact OD1-NE1 3.43Å; Y252-W256 VanDerWaalsContact O-CB 3.23Å; Y252-W256 WeakPolarHBondContact O-CB 3.23Å; Y252-W256 PolarHBondContact O-N 3.18Å; Y253-W256 HydrophobicContact CD2-CE3 4.03Å; Y253-W256 HydrophobicContact CD2-CZ3 4.26Å; Y253-W256 HydrophobicContact CE2-CE3 4.1Å; Y253-W256 AromaticContact CE2-CZ3 3.89Å; Y253-W256 HydrophobicContact CE2-CZ3 3.89Å; Y253-W256 PolarHBondContact O-N 3.29Å; W256-K258 VanDerWaalsContact C-N 3.31Å; W256-K258 PolarHBondContact O-N 3.47Å; W256-E259 WeakPolarHBondContact O-CB 3.48Å; W256-E259 PolarHBondContact O-N 3.42Å; W256-E259 VanDerWaalsContact O-N 3.11Å; W256-Q260 HydrophobicContact CD2-CG 4Å; W256-Q260 HydrophobicContact CE3-CG 4.44Å; W256-Q260 HydrophobicContact CH2-CG 4.12Å; W256-Q260 HydrophobicContact CZ2-CG 3.59Å; W256-Q260 VanDerWaalsContact NE1-NE2 3.12Å; W256-Q260 WeakPolarHBondContact O-CG 3.34Å; W256-Q260 PolarHBondContact O-N 2.9Å; W256-F349 AromaticContact CH2-CE2 3.73Å; W256-F349 HydrophobicContact CH2-CE2 3.73Å; W256-F349 AromaticContact CH2-CZ 3.66Å; W256-F349 HydrophobicContact CH2-CZ 3.66Å; W256-F349 HydrophobicContact CZ2-CE2 4.49Å; W256-F349 HydrophobicContact CZ3-CE2 4.28Å; W256-F349 AromaticContact CZ3-CZ 3.72Å; W256-F349 HydrophobicContact CZ3-CZ 3.72Å
257L81.5Confident81.2Confident0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-61.5-39.7177.6-162.8147.2000111.6Y253 N255 Q260 V261 F349 F397 S400Y253-L257 HydrophobicContact CE1-CD1 3.95Å; Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 PolarHBondContact O-N 3.4Å; N255-L257 VanDerWaalsContact C-N 3.32Å; N255-L257 PolarHBondContact O-N 3.18Å; L257-Q260 PolarHBondContact O-N 2.94Å; L257-V261 HydrophobicContact CD2-CG2 4.19Å; L257-V261 WeakPolarHBondContact O-CG2 3.28Å; L257-V261 PolarHBondContact O-N 3.17Å; L257-F349 HydrophobicContact CD1-CE1 4.17Å; L257-F349 HydrophobicContact CG-CE1 4.05Å; L257-F397 HydrophobicContact CD1-CD2 4.27Å; L257-F397 HydrophobicContact CD2-CD2 3.81Å; L257-F397 HydrophobicContact CD2-CE2 4.45Å; L257-S400 WeakPolarHBondContact CD2-OG 3.23Å
258K83.7Confident81.2Confident65 Ų6543.3 Ų43.328%0.28321%0.205SC..Hα-helixtrans-60.9-44172.3-71.9170.5-176.2169.40112.4T254 N255 W256 Q260 V261 I262 S403T254-K258 WeakPolarHBondContact O-CG 3.27Å; T254-K258 PolarHBondContact O-N 2.91Å; T254-K258 VanDerWaalsContact O-N 3.15Å; N255-K258 WeakPolarHBondContact O-CB 3.45Å; N255-K258 PolarHBondContact O-N 3.04Å; W256-K258 VanDerWaalsContact C-N 3.31Å; W256-K258 PolarHBondContact O-N 3.47Å; K258-Q260 VanDerWaalsContact C-N 3.34Å; K258-V261 PolarHBondContact O-N 2.68Å; K258-I262 WeakPolarHBondContact O-CG1 3.37Å; K258-I262 PolarHBondContact O-N 2.84Å; K258-I262 VanDerWaalsContact O-N 3.14Å; K258-S403 WeakPolarHBondContact CD-OG 3.36Å; K258-S403 WeakPolarHBondContact CE-OG 3.36Å
259E85Confident80.7Confident128 Ų12845.4 Ų45.460%0.59822%0.217SC*.Hα-helixtrans-63.9-38.9176.8-70.6-176.4166.900111.8N255 W256 I262 G263N255-E259 PolarHBondContact O-N 3.17Å; N255-E259 VanDerWaalsContact O-N 3.09Å; W256-E259 WeakPolarHBondContact O-CB 3.48Å; W256-E259 PolarHBondContact O-N 3.42Å; W256-E259 VanDerWaalsContact O-N 3.11Å; E259-I262 PolarHBondContact O-N 3.31Å; E259-G263 PolarHBondContact O-N 3.48Å
260Q83.7Confident79.9Confident17 Ų1750 Ų508%0.07925%0.248CC..Hα-helixtrans-63.8-44.6175.3-67.4-60.9-3900112.3D193 S196 W256 L257 K258 I262 G263 F264 F349D193-Q260 PolarHBondContact OD1-NE2 3.09Å; S196-Q260 PolarHBondContact OG-OE1 3.31Å; W256-Q260 HydrophobicContact CD2-CG 4Å; W256-Q260 HydrophobicContact CE3-CG 4.44Å; W256-Q260 HydrophobicContact CH2-CG 4.12Å; W256-Q260 HydrophobicContact CZ2-CG 3.59Å; W256-Q260 VanDerWaalsContact NE1-NE2 3.12Å; W256-Q260 WeakPolarHBondContact O-CG 3.34Å; W256-Q260 PolarHBondContact O-N 2.9Å; L257-Q260 PolarHBondContact O-N 2.94Å; K258-Q260 VanDerWaalsContact C-N 3.34Å; Q260-I262 VanDerWaalsContact C-N 3.32Å; Q260-I262 PolarHBondContact O-N 3.06Å; Q260-G263 CarbonylContact O-C 3.6Å; Q260-G263 WeakPolarHBondContact O-CA 3.4Å; Q260-G263 PolarHBondContact O-N 3.1Å; Q260-G263 VanDerWaalsContact O-N 3.13Å; Q260-F264 HydrophobicContact CB-CE1 4.48Å; Q260-F264 HydrophobicContact CB-CE2 4.15Å; Q260-F264 HydrophobicContact CB-CZ 3.92Å; Q260-F264 WeakPolarHBondContact O-CD1 3.23Å; Q260-F264 WeakPolarHBondContact O-CD2 3.2Å; Q260-F264 WeakPolarHBondContact O-CG 3.46Å; Q260-F264 PolarHBondContact O-N 2.89Å; Q260-F349 HydrophobicContact CB-CZ 4.33Å; Q260-F349 HydrophobicContact CG-CE2 4.5Å; Q260-F349 HydrophobicContact CG-CZ 4.4Å
261V82.6Confident78.8Confident1 Ų150.3 Ų50.31%0.00625%0.252CS..Hα-helixtrans-58.6-44.2176.5170.90000111.1L257 K258 F264 W265 F342 L346 L401 F404L257-V261 HydrophobicContact CD2-CG2 4.19Å; L257-V261 WeakPolarHBondContact O-CG2 3.28Å; L257-V261 PolarHBondContact O-N 3.17Å; K258-V261 PolarHBondContact O-N 2.68Å; V261-F264 PolarHBondContact O-N 2.99Å; V261-W265 PolarHBondContact O-N 2.87Å; V261-W265 VanDerWaalsContact O-N 3.13Å; V261-F342 HydrophobicContact CG1-CZ 4.42Å; V261-L346 HydrophobicContact CG1-CD2 4.42Å; V261-L346 HydrophobicContact CG2-CD2 3.99Å; V261-L401 HydrophobicContact CG1-CD2 3.89Å; V261-L401 HydrophobicContact CG2-CD2 4.36Å; V261-F404 HydrophobicContact CG1-CB 4.38Å; V261-F404 HydrophobicContact CG1-CD1 4.42Å; V261-F404 HydrophobicContact CG1-CD2 4.07Å; V261-F404 HydrophobicContact CG1-CG 4.05Å
262I83.8Confident76.7Confident80 Ų8049.8 Ų49.841%0.4126%0.26SS..Hα-helixtrans-63.2-44.8175-65.2166000110.2K258 E259 Q260 F264 W265 D266 F404K258-I262 WeakPolarHBondContact O-CG1 3.37Å; K258-I262 PolarHBondContact O-N 2.84Å; K258-I262 VanDerWaalsContact O-N 3.14Å; E259-I262 PolarHBondContact O-N 3.31Å; Q260-I262 VanDerWaalsContact C-N 3.32Å; Q260-I262 PolarHBondContact O-N 3.06Å; I262-F264 VanDerWaalsContact C-N 3.31Å; I262-F264 PolarHBondContact O-N 3.04Å; I262-W265 WeakPolarHBondContact O-CB 3.47Å; I262-W265 PolarHBondContact O-N 3.28Å; I262-W265 VanDerWaalsContact O-N 3.12Å; I262-D266 PolarHBondContact O-N 3.4Å; I262-F404 HydrophobicContact CG1-CD2 4.09Å; I262-F404 HydrophobicContact CG1-CE2 4.33Å
263G82.5Confident74.4Confident19 Ų1952.2 Ų52.220%0.19628%0.281CS..Hα-helixtrans-59.6-37.6176.300000113.4E259 Q260 D266 R267E259-G263 PolarHBondContact O-N 3.48Å; Q260-G263 CarbonylContact O-C 3.6Å; Q260-G263 WeakPolarHBondContact O-CA 3.4Å; Q260-G263 PolarHBondContact O-N 3.1Å; Q260-G263 VanDerWaalsContact O-N 3.13Å; G263-D266 PolarHBondContact O-N 2.72Å; G263-R267 WeakPolarHBondContact O-CB 3.4Å; G263-R267 WeakPolarHBondContact O-CG 3.18Å; G263-R267 PolarHBondContact O-N 3.42Å
264F82.4Confident72Confident0 Ų055 Ų550%031%0.311CS..Hα-helixtrans-67.3-39.2175-58.7-25.2000111.8M200 Q260 V261 I262 S268 F342 L345 L346 F349M200-F264 HydrophobicContact CE-CD1 3.93Å; M200-F264 HydrophobicContact CE-CE1 3.13Å; M200-F264 HydrophobicContact CE-CE2 4.01Å; M200-F264 HydrophobicContact CE-CZ 3.18Å; Q260-F264 HydrophobicContact CB-CE1 4.48Å; Q260-F264 HydrophobicContact CB-CE2 4.15Å; Q260-F264 HydrophobicContact CB-CZ 3.92Å; Q260-F264 WeakPolarHBondContact O-CD1 3.23Å; Q260-F264 WeakPolarHBondContact O-CD2 3.2Å; Q260-F264 WeakPolarHBondContact O-CG 3.46Å; Q260-F264 PolarHBondContact O-N 2.89Å; V261-F264 PolarHBondContact O-N 2.99Å; I262-F264 VanDerWaalsContact C-N 3.31Å; I262-F264 PolarHBondContact O-N 3.04Å; F264-S268 VanDerWaalsContact O-CB 3.32Å; F264-S268 WeakPolarHBondContact O-CB 3.48Å; F264-S268 PolarHBondContact O-N 3.07Å; F264-S268 PolarHBondContact O-OG 3.03Å; F264-F342 HydrophobicContact CB-CD2 4.21Å; F264-F342 HydrophobicContact CB-CE2 4.32Å; F264-L345 HydrophobicContact CB-CB 4.22Å; F264-L345 HydrophobicContact CB-CD1 4.14Å; F264-L345 HydrophobicContact CG-CB 4.18Å; F264-L346 HydrophobicContact CD2-CD2 4.08Å; F264-F349 HydrophobicContact CE2-CB 3.74Å; F264-F349 AromaticContact CE2-CD1 3.98Å; F264-F349 HydrophobicContact CE2-CD1 3.98Å; F264-F349 AromaticContact CE2-CD2 3.92Å; F264-F349 HydrophobicContact CE2-CD2 3.92Å; F264-F349 HydrophobicContact CE2-CE2 4.5Å; F264-F349 AromaticContact CE2-CG 3.61Å; F264-F349 HydrophobicContact CE2-CG 3.61Å; F264-F349 HydrophobicContact CZ-CB 4.07Å; F264-F349 HydrophobicContact CZ-CD1 4.49Å; F264-F349 AromaticContact CZ-CD2 3.62Å; F264-F349 HydrophobicContact CZ-CD2 3.62Å; F264-F349 HydrophobicContact CZ-CE2 4.12Å; F264-F349 AromaticContact CZ-CG 3.81Å; F264-F349 HydrophobicContact CZ-CG 3.81Å
265W82.6Confident69.8Low24 Ų2460.1 Ų60.19%0.09134%0.342CS..Hα-helixtrans-61.5-48.2173.7178.4-100.7000111.8V261 I262 R267 S268 T269 I339 F342 F404 F407 F410V261-W265 PolarHBondContact O-N 2.87Å; V261-W265 VanDerWaalsContact O-N 3.13Å; I262-W265 WeakPolarHBondContact O-CB 3.47Å; I262-W265 PolarHBondContact O-N 3.28Å; I262-W265 VanDerWaalsContact O-N 3.12Å; W265-R267 PolarHBondContact O-N 2.88Å; W265-S268 PolarHBondContact O-N 3.3Å; W265-S268 VanDerWaalsContact O-N 3.16Å; W265-S268 PolarHBondContact O-OG 3.31Å; W265-T269 HydrophobicContact CD2-CG2 4.11Å; W265-T269 HydrophobicContact CH2-CG2 4.46Å; W265-T269 HydrophobicContact CZ2-CG2 3.93Å; W265-T269 WeakPolarHBondContact O-CG2 3.4Å; W265-T269 PolarHBondContact O-N 3.15Å; W265-T269 PolarHBondContact O-OG1 2.95Å; W265-I339 HydrophobicContact CZ3-CG1 4.37Å; W265-F342 HydrophobicContact CB-CD2 4.09Å; W265-F342 HydrophobicContact CB-CE2 3.88Å; W265-F342 HydrophobicContact CE3-CD1 4.14Å; W265-F342 AromaticContact CE3-CD2 3.98Å; W265-F342 HydrophobicContact CE3-CD2 3.98Å; W265-F342 HydrophobicContact CE3-CE1 4.31Å; W265-F342 HydrophobicContact CE3-CE2 4.16Å; W265-F342 AromaticContact CE3-CG 3.95Å; W265-F342 HydrophobicContact CE3-CG 3.95Å; W265-F342 HydrophobicContact CE3-CZ 4.31Å; W265-F342 HydrophobicContact CZ3-CD1 4.39Å; W265-F342 HydrophobicContact CZ3-CG 4.48Å; W265-F404 HydrophobicContact CB-CE2 3.85Å; W265-F404 HydrophobicContact CB-CZ 3.53Å; W265-F404 HydrophobicContact CD2-CE1 4.4Å; W265-F404 AromaticContact CD2-CZ 3.62Å; W265-F404 HydrophobicContact CD2-CZ 3.62Å; W265-F404 HydrophobicContact CE3-CE1 4.23Å; W265-F404 AromaticContact CE3-CZ 3.87Å; W265-F404 HydrophobicContact CE3-CZ 3.87Å; W265-F404 HydrophobicContact CG-CE2 4.01Å; W265-F404 AromaticContact CG-CZ 3.48Å; W265-F404 HydrophobicContact CG-CZ 3.48Å; W265-F404 VanDerWaalsContact CG-CZ 3.48Å; W265-F407 HydrophobicContact CH2-CB 4.46Å; W265-F407 AromaticContact CH2-CD2 3.79Å; W265-F407 HydrophobicContact CH2-CD2 3.79Å; W265-F407 HydrophobicContact CZ3-CB 4.31Å; W265-F407 AromaticContact CZ3-CD2 3.6Å; W265-F407 HydrophobicContact CZ3-CD2 3.6Å; W265-F407 HydrophobicContact CZ3-CE2 4.42Å; W265-F407 HydrophobicContact CZ3-CG 4.41Å; W265-F410 HydrophobicContact CH2-CB 4.26Å; W265-F410 HydrophobicContact CH2-CD1 4.29Å; W265-F410 HydrophobicContact CH2-CG 4.16Å; W265-F410 HydrophobicContact CZ2-CB 4.22Å; W265-F410 HydrophobicContact CZ2-CG 4.37Å
266D81.9Confident67.4Low81 Ų8161.7 Ų61.743%0.43336%0.355SS..Hα-helixtrans-63.8-43.8179.7-67.9-18.4000111.5I262 G263 S268 T269 C270I262-D266 PolarHBondContact O-N 3.4Å; G263-D266 PolarHBondContact O-N 2.72Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.18Å; D266-T269 PolarHBondContact O-N 3.07Å; D266-T269 PolarHBondContact O-OG1 3.18Å; D266-C270 WeakPolarHBondContact O-CB 3.49Å; D266-C270 PolarHBondContact O-N 2.92Å; D266-C270 PolarHBondContact O-SG 3.31Å; D266-C270 VanDerWaalsContact O-SG 3.33Å
267R78.8Confident64.8Low101 Ų10167.3 Ų67.338%0.38139%0.39SS..Hα-helixtrans-59.6-36.3174.6-73.3173.7-163.3177.27.3112.6G263 W265 Q271G263-R267 WeakPolarHBondContact O-CB 3.4Å; G263-R267 WeakPolarHBondContact O-CG 3.18Å; G263-R267 PolarHBondContact O-N 3.42Å; W265-R267 PolarHBondContact O-N 2.88Å; R267-Q271 PolarHBondContact O-NE2 2.99Å
268S75.3Confident62.5Low1 Ų174.2 Ų74.21%0.00743%0.433CS..Hα-helixtrans-76.2-32.7-179.874.40000113F264 W265 D266 N338F264-S268 VanDerWaalsContact O-CB 3.32Å; F264-S268 WeakPolarHBondContact O-CB 3.48Å; F264-S268 PolarHBondContact O-N 3.07Å; F264-S268 PolarHBondContact O-OG 3.03Å; W265-S268 PolarHBondContact O-N 3.3Å; W265-S268 VanDerWaalsContact O-N 3.16Å; W265-S268 PolarHBondContact O-OG 3.31Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.18Å; S268-N338 WeakPolarHBondContact CB-O 3.49Å; S268-N338 VanDerWaalsContact O-CB 3.3Å; S268-N338 WeakPolarHBondContact O-CB 3.29Å; S268-N338 PolarHBondContact O-ND2 3.26Å; S268-N338 PolarHBondContact O-OD1 2.89Å
269T68.4Low59.9Low56 Ų5674.5 Ų74.534%0.34445%0.454SS..Hα-helixtrans-87.8-27.7-176.952.80000113.2W265 D266 Q271W265-T269 HydrophobicContact CD2-CG2 4.11Å; W265-T269 HydrophobicContact CH2-CG2 4.46Å; W265-T269 HydrophobicContact CZ2-CG2 3.93Å; W265-T269 WeakPolarHBondContact O-CG2 3.4Å; W265-T269 PolarHBondContact O-N 3.15Å; W265-T269 PolarHBondContact O-OG1 2.95Å; D266-T269 PolarHBondContact O-N 3.07Å; D266-T269 PolarHBondContact O-OG1 3.18Å; T269-Q271 VanDerWaalsContact C-N 3.33Å; T269-Q271 PolarHBondContact O-N 3.34Å
270C60.6Low57.3Low97 Ų9778.5 Ų78.566%0.65547%0.469SS*.SBendtrans-79.1-4.3-179.6-69.60000115.3D266 T272D266-C270 WeakPolarHBondContact O-CB 3.49Å; D266-C270 PolarHBondContact O-N 2.92Å; D266-C270 PolarHBondContact O-SG 3.31Å; D266-C270 VanDerWaalsContact O-SG 3.33Å; C270-T272 VanDerWaalsContact C-N 3.31Å; C270-T272 PolarHBondContact O-N 3.33Å
271Q52.1Low54.8Low65 Ų6582.7 Ų82.730%0.30450%0.5SS..  trans-7976.7177-70.6177.926.600111.6R267 T269 V273 Q334R267-Q271 PolarHBondContact O-NE2 2.99Å; T269-Q271 VanDerWaalsContact C-N 3.33Å; T269-Q271 PolarHBondContact O-N 3.34Å; Q271-V273 PolarHBondContact O-N 3.39Å; Q271-Q334 PolarHBondContact O-NE2 2.9Å
272T36.9Very low52.5Low129 Ų12988.8 Ų88.879%0.79153%0.533SS*.  trans-80.7106.2154.638.50000107.8C270 G274C270-T272 VanDerWaalsContact C-N 3.31Å; C270-T272 PolarHBondContact O-N 3.33Å; T272-G274 PolarHBondContact O-N 3.11Å
273V33.7Very low50.5Low115 Ų11589.9 Ų89.970%0.69755%0.548SS*.  trans-6581.5172.9179.80000108.7Q271 T275Q271-V273 PolarHBondContact O-N 3.39Å; V273-T275 PolarHBondContact O-N 3.15Å
274G30.6Very low48.7Very low60 Ų6092.4 Ų92.462%0.61956%0.557SS**  trans-78.8102.2164.500000108.5T272 T276T272-G274 PolarHBondContact O-N 3.11Å; G274-T276 PolarHBondContact O-N 3.33Å
275T30.2Very low46.8Very low132 Ų13296.5 Ų96.581%0.8159%0.59SS**  trans-64.378.817039.10000110.8V273V273-T275 PolarHBondContact O-N 3.15Å
276T33.2Very low44.8Very low120 Ų120101.3 Ų101.374%0.73662%0.622SS**  trans-13690.9164.655.10000109.9G274G274-T276 PolarHBondContact O-N 3.33Å
277T31.4Very low43.1Very low122 Ų12299.3 Ų99.375%0.74861%0.611SS**  trans18.6124.1133.552.90000117.4
278T32.6Very low41.9Very low146 Ų14695.5 Ų95.590%0.89660%0.599SS**  trans81.6105.3152.866.20000118.5
279G29.5Very low40.8Very low71 Ų71103 Ų10373%0.73263%0.633SS**SBendtrans115.696.3142.600000116.9
280K30.6Very low40.2Very low211 Ų211101.9 Ų101.992%0.91763%0.626SS**SBendtrans62.377.3153.9-58.3-179.7177.4179.10117
281S31.8Very low40.4Very low105 Ų10598.3 Ų98.373%0.73460%0.601SS**  trans-17467.3152.557.20000112.4S283S281-S283 PolarHBondContact O-N 3.04Å
282D33.6Very low41.2Very low129 Ų12999 Ų9969%0.6961%0.61SS**  trans-96.148.3178.5-70.4-33.5000112.2L284 A285D282-L284 VanDerWaalsContact C-N 3.32Å; D282-L284 PolarHBondContact O-N 3.2Å; D282-A285 HydrophobicContact CB-CB 4.32Å
283S42.2Very low42.7Very low103 Ų10396.8 Ų96.872%0.7260%0.597SS**SBendtrans-78.8-14.2-179.265.60000114.1S281S281-S283 PolarHBondContact O-N 3.04Å
284L45.5Very low44.3Very low73 Ų7391.7 Ų91.738%0.38257%0.566SS.*SBendtrans-107-20.5-178.5-140.6132.9000112.9D282 V286 M287D282-L284 VanDerWaalsContact C-N 3.32Å; D282-L284 PolarHBondContact O-N 3.2Å; L284-V286 PolarHBondContact O-N 3.32Å; L284-M287 HydrophobicContact CD1-CE 4.36Å; L284-M287 HydrophobicContact CG-CE 3.89Å
285A41.7Very low46.4Very low86 Ų8691.1 Ų91.171%0.71155%0.548SS*.THydrogen-bonded Turntrans-74.6-12.2177.900000113.7D282D282-A285 HydrophobicContact CB-CB 4.32Å
286V41.2Very low48.5Very low124 Ų12491.5 Ų91.575%0.75254%0.541SS*.THydrogen-bonded Turntrans-97.50.5-179.5-1770000112.1L284 V288L284-V286 PolarHBondContact O-N 3.32Å; V286-V288 PolarHBondContact O-N 2.82Å
287M45.7Very low50.3Low40 Ų4089.1 Ų89.120%0.19752%0.52CS..SBendtrans-89.4104-175.2-77-152-77.600113.7M200 L284M200-M287 HydrophobicContact SD-SD 4.25Å; L284-M287 HydrophobicContact CD1-CE 4.36Å; L284-M287 HydrophobicContact CG-CE 3.89Å
288V52.8Low52.2Low21 Ų2183.3 Ų83.313%0.12748%0.484CS..  trans67.9113.6149.3-157.40000116.8M200 V286 V290 L291 P292M200-V288 HydrophobicContact CB-CG2 4.13Å; M200-V288 WeakPolarHBondContact O-CG1 3.2Å; M200-V288 WeakPolarHBondContact O-CG2 3.38Å; V286-V288 PolarHBondContact O-N 2.82Å; V288-V290 HydrophobicContact CG1-CB 3.76Å; V288-V290 HydrophobicContact CG1-CG2 4.08Å; V288-V290 PolarHBondContact O-N 3.46Å; V288-V290 VanDerWaalsContact O-N 3.09Å; V288-L291 HydrophobicContact CB-CB 4.21Å; V288-L291 PolarHBondContact O-N 2.89Å; V288-P292 WeakPolarHBondContact O-CD 3.5Å
289E52.3Low53.9Low157 Ų15778.3 Ų78.373%0.73446%0.455SS*.THydrogen-bonded Turntrans-56.9-26.3173.6-76.8-16816100112.9P292E289-P292 WeakPolarHBondContact O-CD 3.33Å
290V57.1Low55.8Low33 Ų3377.4 Ų77.420%0.244%0.438CS..Hα-helixtrans-72.4-30.5178.5-173.70000112.9D203 V288 V293 I294D203-V290 WeakPolarHBondContact OD1-CG2 3.29Å; V288-V290 HydrophobicContact CG1-CB 3.76Å; V288-V290 HydrophobicContact CG1-CG2 4.08Å; V288-V290 PolarHBondContact O-N 3.46Å; V288-V290 VanDerWaalsContact O-N 3.09Å; V290-V293 PolarHBondContact O-N 3.32Å; V290-I294 HydrophobicContact CG1-CD1 3.69Å; V290-I294 HydrophobicContact CG1-CG1 4.15Å; V290-I294 PolarHBondContact O-N 3.31Å
291L64.6Low57.4Low23 Ų2369.1 Ų69.112%0.1240%0.401CS..Hα-helixtrans-64.1-47.2-175.2-174.575.5000112V288 V293 I294 I295 A344 L345V288-L291 HydrophobicContact CB-CB 4.21Å; V288-L291 PolarHBondContact O-N 2.89Å; L291-V293 VanDerWaalsContact C-N 3.29Å; L291-V293 PolarHBondContact O-N 3.49Å; L291-I294 PolarHBondContact O-N 3.03Å; L291-I295 HydrophobicContact CD1-CD1 4.43Å; L291-I295 HydrophobicContact CD2-CD1 4.44Å; L291-I295 HydrophobicContact CG-CD1 3.89Å; L291-I295 WeakPolarHBondContact O-CB 3.43Å; L291-I295 VanDerWaalsContact O-CG1 3.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.09Å; L291-I295 PolarHBondContact O-N 2.93Å; L291-A344 HydrophobicContact CD1-CB 3.61Å; L291-L345 HydrophobicContact CD1-CD2 4.18Å; L291-L345 HydrophobicContact CD1-CG 4.45Å
292P68Low58.7Low78 Ų7866.9 Ų66.951%0.50638%0.379SS..Hα-helixtrans-56.8-38.1172.5-26.233.7000114V288 E289 I295 Q296V288-P292 WeakPolarHBondContact O-CD 3.5Å; E289-P292 WeakPolarHBondContact O-CD 3.33Å; P292-I295 PolarHBondContact O-N 2.98Å; P292-Q296 VanDerWaalsContact O-CB 3.31Å; P292-Q296 WeakPolarHBondContact O-CB 3.43Å; P292-Q296 PolarHBondContact O-N 2.95Å
293V68.3Low59.4Low84 Ų8465 Ų6551%0.50938%0.376SS..Hα-helixtrans-67.4-44-179.1179.30000111V290 L291 Q296 K297V290-V293 PolarHBondContact O-N 3.32Å; L291-V293 VanDerWaalsContact C-N 3.29Å; L291-V293 PolarHBondContact O-N 3.49Å; V293-Q296 PolarHBondContact O-N 3.34Å; V293-K297 PolarHBondContact O-N 2.89Å
294I68.1Low59.8Low8 Ų867.6 Ų67.64%0.04137%0.374CS..Hα-helixtrans-66.1-43.3176.6-65.3169.1000110.3V290 L291 Q296 K297 L298 A344 I347 C348 Y433V290-I294 HydrophobicContact CG1-CD1 3.69Å; V290-I294 HydrophobicContact CG1-CG1 4.15Å; V290-I294 PolarHBondContact O-N 3.31Å; L291-I294 PolarHBondContact O-N 3.03Å; I294-Q296 VanDerWaalsContact C-N 3.28Å; I294-Q296 PolarHBondContact O-N 2.98Å; I294-K297 PolarHBondContact O-N 2.92Å; I294-L298 HydrophobicContact CG2-CD1 3.85Å; I294-L298 HydrophobicContact CG2-CG 4.17Å; I294-L298 WeakPolarHBondContact O-CB 3.14Å; I294-L298 WeakPolarHBondContact O-CG 2.91Å; I294-L298 PolarHBondContact O-N 3.15Å; I294-A344 HydrophobicContact CB-CB 4.26Å; I294-A344 HydrophobicContact CG2-CB 3.75Å; I294-I347 HydrophobicContact CD1-CB 4.39Å; I294-I347 HydrophobicContact CD1-CG2 3.82Å; I294-I347 HydrophobicContact CG2-CD1 3.92Å; I294-C348 VanDerWaalsContact CD1-SG 3.56Å; I294-Y433 HydrophobicContact CG1-CE1 4.48Å; I294-Y433 HydrophobicContact CG2-CE2 4.3Å
295I74.8Confident59.7Low47 Ų4764.7 Ų64.724%0.24136%0.359CS..Hα-helixtrans-58.9-41.6174.7-69.2169.8000110.6L291 P292 L298 S299 I340 A344L291-I295 HydrophobicContact CD1-CD1 4.43Å; L291-I295 HydrophobicContact CD2-CD1 4.44Å; L291-I295 HydrophobicContact CG-CD1 3.89Å; L291-I295 WeakPolarHBondContact O-CB 3.43Å; L291-I295 VanDerWaalsContact O-CG1 3.24Å; L291-I295 WeakPolarHBondContact O-CG1 3.09Å; L291-I295 PolarHBondContact O-N 2.93Å; P292-I295 PolarHBondContact O-N 2.98Å; I295-L298 PolarHBondContact O-N 3.28Å; I295-S299 VanDerWaalsContact O-CB 3.28Å; I295-S299 WeakPolarHBondContact O-CB 3.08Å; I295-S299 PolarHBondContact O-N 3.39Å; I295-S299 PolarHBondContact O-OG 3.48Å; I295-I340 HydrophobicContact CB-CG2 4.2Å; I295-I340 HydrophobicContact CG1-CG2 4.19Å; I295-I340 HydrophobicContact CG2-CG2 3.92Å; I295-A344 HydrophobicContact CG1-CB 3.71Å
296Q74.3Confident59.5Low141 Ų14162.4 Ų62.466%0.65933%0.333SS*.Hα-helixtrans-65.2-42.8177.5-172.2178.81.100112.2P292 V293 I294 S299 S300P292-Q296 VanDerWaalsContact O-CB 3.31Å; P292-Q296 WeakPolarHBondContact O-CB 3.43Å; P292-Q296 PolarHBondContact O-N 2.95Å; V293-Q296 PolarHBondContact O-N 3.34Å; I294-Q296 VanDerWaalsContact C-N 3.28Å; I294-Q296 PolarHBondContact O-N 2.98Å; Q296-S299 WeakPolarHBondContact CA-OG 3.43Å; Q296-S299 PolarHBondContact O-OG 2.9Å; Q296-S300 PolarHBondContact O-N 3.15Å; Q296-S300 VanDerWaalsContact O-N 3.12Å
297K70Confident59.5Low69 Ų6959.2 Ų59.230%0.332%0.316SS..Hα-helixtrans-70.4-39.7177.4-156.8-172.1-170.8-1700111.1V293 I294 S300 Y301 Y433 E436V293-K297 PolarHBondContact O-N 2.89Å; I294-K297 PolarHBondContact O-N 2.92Å; K297-S300 WeakPolarHBondContact O-CB 3.44Å; K297-S300 PolarHBondContact O-N 2.96Å; K297-S300 PolarHBondContact O-OG 3.27Å; K297-Y301 VanDerWaalsContact O-CD2 3.26Å; K297-Y301 WeakPolarHBondContact O-CD2 3.34Å; K297-Y433 HydrophobicContact CB-CE2 3.8Å; K297-Y433 WeakPolarHBondContact CB-OH 3.24Å; K297-Y433 HydrophobicContact CD-CD2 4.44Å; K297-Y433 HydrophobicContact CD-CE1 3.95Å; K297-Y433 HydrophobicContact CD-CE2 3.45Å; K297-Y433 VanDerWaalsContact CD-CE2 3.45Å; K297-Y433 WeakPolarHBondContact CD-OH 3.13Å; K297-Y433 HydrophobicContact CG-CE2 3.99Å; K297-E436 IonicContact NZ-OE1 3.47Å; K297-E436 PolarHBondContact NZ-OE1 2.86Å; K297-E436 IonicContact NZ-OE2 2.77Å; K297-E436 PolarHBondContact NZ-OE2 2.84Å
298L71.4Confident59.3Low0 Ų063 Ų630%034%0.337CS..Hα-helixtrans-66.1-40.5176.5-73.4179000112.3I294 I295 S300 Y301 I340 A344 I347 C430 Y433I294-L298 HydrophobicContact CG2-CD1 3.85Å; I294-L298 HydrophobicContact CG2-CG 4.17Å; I294-L298 WeakPolarHBondContact O-CB 3.14Å; I294-L298 WeakPolarHBondContact O-CG 2.91Å; I294-L298 PolarHBondContact O-N 3.15Å; I295-L298 PolarHBondContact O-N 3.28Å; L298-S300 PolarHBondContact O-N 3.07Å; L298-Y301 WeakPolarHBondContact O-CB 3.39Å; L298-Y301 PolarHBondContact O-N 3.09Å; L298-Y301 VanDerWaalsContact O-N 3.12Å; L298-I340 HydrophobicContact CB-CG1 4.5Å; L298-I340 HydrophobicContact CB-CG2 3.8Å; L298-I340 HydrophobicContact CD1-CG2 4.26Å; L298-A344 HydrophobicContact CD1-CB 4.39Å; L298-I347 HydrophobicContact CD1-CD1 4.21Å; L298-C430 HydrophobicContact CD2-CB 4.26Å; L298-Y433 HydrophobicContact CD2-CD2 4.07Å; L298-Y433 HydrophobicContact CD2-CE2 4.26Å; L298-Y433 HydrophobicContact CG-CE2 4.29Å
299S69.1Low58.7Low41 Ų4169.9 Ų69.929%0.28737%0.365SS..Hα-helixtrans-65-27.9173.6550000112.5I295 Q296 Y301 Q302I295-S299 VanDerWaalsContact O-CB 3.28Å; I295-S299 WeakPolarHBondContact O-CB 3.08Å; I295-S299 PolarHBondContact O-N 3.39Å; I295-S299 PolarHBondContact O-OG 3.48Å; Q296-S299 WeakPolarHBondContact CA-OG 3.43Å; Q296-S299 PolarHBondContact O-OG 2.9Å; S299-Y301 PolarHBondContact O-N 2.97Å; S299-Q302 VanDerWaalsContact O-CB 3.23Å; S299-Q302 WeakPolarHBondContact O-CB 3.4Å; S299-Q302 PolarHBondContact O-N 3.31Å
300S69Low58.3Low52 Ų5267 Ų6736%0.36435%0.352SS..Hα-helixtrans-62.4-30.9172.7830000113Q296 K297 L298 Q302 S303Q296-S300 PolarHBondContact O-N 3.15Å; Q296-S300 VanDerWaalsContact O-N 3.12Å; K297-S300 WeakPolarHBondContact O-CB 3.44Å; K297-S300 PolarHBondContact O-N 2.96Å; K297-S300 PolarHBondContact O-OG 3.27Å; L298-S300 PolarHBondContact O-N 3.07Å; S300-Q302 VanDerWaalsContact C-N 3.26Å; S300-Q302 PolarHBondContact O-N 2.92Å; S300-S303 PolarHBondContact O-N 3.05Å; S300-S303 PolarHBondContact O-OG 3.06Å
301Y64.5Low57.7Low37 Ų3770.1 Ų70.115%0.14536%0.36CS..Hα-helixtrans-68.8-23.7174.3-74.2-82.8000113K297 L298 S299 S303 Q432K297-Y301 VanDerWaalsContact O-CD2 3.26Å; K297-Y301 WeakPolarHBondContact O-CD2 3.34Å; L298-Y301 WeakPolarHBondContact O-CB 3.39Å; L298-Y301 PolarHBondContact O-N 3.09Å; L298-Y301 VanDerWaalsContact O-N 3.12Å; S299-Y301 PolarHBondContact O-N 2.97Å; Y301-S303 VanDerWaalsContact C-N 3.29Å; Y301-Q432 VanDerWaalsContact OH-CD 3.22Å; Y301-Q432 PolarHBondContact OH-NE2 2.79Å; Y301-Q432 PolarHBondContact OH-OE1 2.92Å
302Q57.6Low56.7Low59 Ų5976.2 Ų76.228%0.27639%0.388SS..Hα-helixtrans-70.8-25.5170.8-170.2-171.6-9.700112S299 S300 I305 V336S299-Q302 VanDerWaalsContact O-CB 3.23Å; S299-Q302 WeakPolarHBondContact O-CB 3.4Å; S299-Q302 PolarHBondContact O-N 3.31Å; S300-Q302 VanDerWaalsContact C-N 3.26Å; S300-Q302 PolarHBondContact O-N 2.92Å; Q302-I305 WeakPolarHBondContact O-CD1 3.47Å; Q302-I305 WeakPolarHBondContact O-CG1 3.36Å; Q302-V336 HydrophobicContact CG-CG1 4.38Å
303S49Very low55.6Low89 Ų8980.8 Ų80.862%0.62240%0.4SS*.Hα-helixtrans-85.7-13.9-170.472.90000115S300 Y301 I305S300-S303 PolarHBondContact O-N 3.05Å; S300-S303 PolarHBondContact O-OG 3.06Å; Y301-S303 VanDerWaalsContact C-N 3.29Å; S303-I305 PolarHBondContact O-N 3.35Å
304K51.7Low54.3Low158 Ų15878.4 Ų78.469%0.68738%0.384SS*.THydrogen-bonded Turntrans-75.113.7178.8-70.4-174.3175.8-177.60114.2F306K304-F306 VanDerWaalsContact C-N 3.33Å; K304-F306 PolarHBondContact O-N 3.36Å
305I42.8Very low53Low11 Ų1184.4 Ų84.46%0.05642%0.417CS..SBendtrans-100.640.3-165.3-50.4177.2000109.9Q302 S303 R311 C422 R425Q302-I305 WeakPolarHBondContact O-CD1 3.47Å; Q302-I305 WeakPolarHBondContact O-CG1 3.36Å; S303-I305 PolarHBondContact O-N 3.35Å; I305-R311 VanDerWaalsContact O-CZ 3.31Å; I305-R311 PolarHBondContact O-NE 3.02Å; I305-R311 VanDerWaalsContact O-NE 3.17Å; I305-R311 PolarHBondContact O-NH2 3.37Å; I305-C422 HydrophobicContact CD1-CB 4.1Å; I305-C422 WeakPolarHBondContact CD1-SG 3.44Å; I305-R425 VanDerWaalsContact CG1-NE 3.34Å; I305-R425 VanDerWaalsContact CG2-NH2 3.26Å
306F38.2Very low51.5Low38 Ų3884.4 Ų84.417%0.16742%0.42CS..  trans69.6129.6-169.8-51.6-88.4000116.2K304 E310 R311 L314 L547 E550K304-F306 VanDerWaalsContact C-N 3.33Å; K304-F306 PolarHBondContact O-N 3.36Å; F306-E310 HydrophobicContact CB-CB 4.37Å; F306-E310 HydrophobicContact CD1-CB 3.81Å; F306-R311 HydrophobicContact CB-CG 3.29Å; F306-R311 HydrophobicContact CD1-CG 4.41Å; F306-R311 HydrophobicContact CD2-CG 4.11Å; F306-R311 HydrophobicContact CG-CG 3.73Å; F306-L314 HydrophobicContact CD1-CD1 4.42Å; F306-L314 HydrophobicContact CE1-CD1 3.69Å; F306-L314 HydrophobicContact CZ-CD1 3.88Å; F306-L547 HydrophobicContact CE2-CD1 3.67Å; F306-L547 HydrophobicContact CZ-CD1 3.87Å; F306-E550 WeakPolarHBondContact CE1-OE2 3.36Å; F306-E550 WeakPolarHBondContact CE2-OE2 3.19Å; F306-E550 WeakPolarHBondContact CZ-OE2 3.41Å
307S41.5Very low50.1Low58 Ų5878.5 Ų78.541%0.40639%0.393SS..  trans-61.7147.4155.968.40000109.5K309 E310 R311S307-K309 PolarHBondContact O-N 3.03Å; S307-E310 WeakPolarHBondContact CB-OE2 3.47Å; S307-E310 PolarHBondContact N-OE2 2.93Å; S307-E310 PolarHBondContact O-N 2.8Å; S307-E310 PolarHBondContact OG-N 3.24Å; S307-E310 PolarHBondContact OG-OE2 3.47Å; S307-R311 PolarHBondContact O-N 3.27Å
308N39.6Very low48.5Very low119 Ų11980 Ų8064%0.63641%0.409SS*.Hα-helixtrans-52.7-21.7173.7-83.1-17.9000112.9Q312N308-Q312 WeakPolarHBondContact O-CB 3.27Å; N308-Q312 WeakPolarHBondContact O-CG 3.16Å; N308-Q312 PolarHBondContact O-N 2.9Å
309K41.2Very low46.9Very low165 Ų16584.2 Ų84.272%0.71743%0.431SS*.Hα-helixtrans-74.4-33.4175.7-81.8-177.7173.8179.20113.7S307S307-K309 PolarHBondContact O-N 3.03Å
310E42.9Very low45.1Very low97 Ų9789.5 Ų89.545%0.45345%0.449SS..Hα-helixtrans-81.6-36.4178.7-70.2149.6162.600111.2F306 S307 Q312 K313 L314F306-E310 HydrophobicContact CB-CB 4.37Å; F306-E310 HydrophobicContact CD1-CB 3.81Å; S307-E310 WeakPolarHBondContact CB-OE2 3.47Å; S307-E310 PolarHBondContact N-OE2 2.93Å; S307-E310 PolarHBondContact O-N 2.8Å; S307-E310 PolarHBondContact OG-N 3.24Å; S307-E310 PolarHBondContact OG-OE2 3.47Å; E310-Q312 PolarHBondContact O-N 3.41Å; E310-K313 PolarHBondContact O-N 3.47Å; E310-L314 PolarHBondContact O-N 3.43Å
311R44.7Very low43.4Very low99 Ų9991.2 Ų91.237%0.37446%0.459SS..Hα-helixtrans-61.5-25.9170.7-60.1-170.7-175.2167.60.9113.3I305 F306 S307I305-R311 VanDerWaalsContact O-CZ 3.31Å; I305-R311 PolarHBondContact O-NE 3.02Å; I305-R311 VanDerWaalsContact O-NE 3.17Å; I305-R311 PolarHBondContact O-NH2 3.37Å; F306-R311 HydrophobicContact CB-CG 3.29Å; F306-R311 HydrophobicContact CD1-CG 4.41Å; F306-R311 HydrophobicContact CD2-CG 4.11Å; F306-R311 HydrophobicContact CG-CG 3.73Å; S307-R311 PolarHBondContact O-N 3.27Å
312Q45.1Very low41.8Very low150 Ų15094.6 Ų94.670%0.70148%0.48SS*.THydrogen-bonded Turntrans-82.7-17175.6-77.9173.7600113.5N308 E310N308-Q312 WeakPolarHBondContact O-CB 3.27Å; N308-Q312 WeakPolarHBondContact O-CG 3.16Å; N308-Q312 PolarHBondContact O-N 2.9Å; E310-Q312 PolarHBondContact O-N 3.41Å
313K43.5Very low40.6Very low174 Ų17497.6 Ų97.676%0.75750%0.502SS*.THydrogen-bonded Turntrans-84.2-30.9176.8-74-179-175.5-178.60112.3E310 N315E310-K313 PolarHBondContact O-N 3.47Å; K313-N315 PolarHBondContact O-N 2.9Å
314L41.7Very low39.9Very low34 Ų34101.8 Ų101.818%0.17851%0.512CS..SBendtrans-64.5113162.5-73.8151.1000106.4F306 E310 C316 D543F306-L314 HydrophobicContact CD1-CD1 4.42Å; F306-L314 HydrophobicContact CE1-CD1 3.69Å; F306-L314 HydrophobicContact CZ-CD1 3.88Å; E310-L314 PolarHBondContact O-N 3.43Å; L314-C316 HydrophobicContact CB-CB 4.29Å; L314-C316 PolarHBondContact O-N 3.45Å; L314-D543 HydrophobicContact CD2-CB 3.59Å
315N41Very low39.2Very low135 Ų13597.3 Ų97.372%0.72250%0.496SS*.  trans-65.320.4174.1-95-25.3000112.6K313 L317K313-N315 PolarHBondContact O-N 2.9Å; N315-L317 PolarHBondContact O-N 3.43Å
316C42Very low38.9Very low47 Ų47104.4 Ų104.432%0.31853%0.533SS..  trans-72.597173.1-53.50000109.2L314L314-C316 HydrophobicContact CB-CB 4.29Å; L314-C316 PolarHBondContact O-N 3.45Å
317L44.9Very low39Very low16 Ų16105.8 Ų105.88%0.08455%0.548CS..  trans28.4126.4143.2-69.8141.1000117.2N315 I319 Q505 Y508 K509N315-L317 PolarHBondContact O-N 3.43Å; L317-I319 PolarHBondContact O-N 2.79Å; L317-Q505 HydrophobicContact CD1-CB 4.36Å; L317-Q505 VanDerWaalsContact CD1-OE1 3.25Å; L317-Y508 HydrophobicContact CD2-CD1 3.21Å; L317-Y508 HydrophobicContact CD2-CE1 3.3Å; L317-Y508 HydrophobicContact CD2-CG 4.33Å; L317-K509 HydrophobicContact CD1-CD 4.09Å; L317-K509 HydrophobicContact CD1-CG 3.39Å; L317-K509 HydrophobicContact CD2-CD 4.25Å; L317-K509 HydrophobicContact CD2-CG 4.15Å; L317-K509 HydrophobicContact CG-CD 4.38Å; L317-K509 VanDerWaalsContact CG-CE 3.49Å; L317-K509 HydrophobicContact CG-CG 4.16Å
318P38.3Very low39.2Very low100 Ų100104.9 Ų104.965%0.64954%0.538SS*.  trans-53.1116.6168.625-31.4000108F320P318-F320 PolarHBondContact O-N 3.34Å
319I35.9Very low39.7Very low89 Ų89106.6 Ų106.646%0.45654%0.543SS..  trans-44.3117.2150.9-59171.1000102.4L317 P321L317-I319 PolarHBondContact O-N 2.79Å; I319-P321 VanDerWaalsContact O-CD 3.23Å; I319-P321 WeakPolarHBondContact O-CD 3.22Å
320F32.7Very low40.1Very low152 Ų152102.5 Ų102.567%0.66754%0.535SS*.  trans-40.2112.8170.2-91.7-89.6000104.7P318 D322 Y508P318-F320 PolarHBondContact O-N 3.34Å; F320-D322 VanDerWaalsContact C-N 3.32Å; F320-D322 PolarHBondContact O-N 2.99Å; F320-Y508 HydrophobicContact CE2-CD2 4.33Å; F320-Y508 HydrophobicContact CE2-CE2 4.18Å; F320-Y508 HydrophobicContact CZ-CE2 4.22Å
321P32.2Very low40.6Very low89 Ų89101.3 Ų101.358%0.57853%0.531SS*.  trans-59.1116.5177.721.9-27.3000101.7I319 T323I319-P321 VanDerWaalsContact O-CD 3.23Å; I319-P321 WeakPolarHBondContact O-CD 3.22Å; P321-T323 PolarHBondContact O-N 2.98Å; P321-T323 PolarHBondContact O-OG1 3.21Å
322D30.7Very low41.4Very low107 Ų10799.3 Ų99.357%0.57253%0.527SS*.  trans-55.387.2160.5-72.8-38.6000103.8F320 E324 L325F320-D322 VanDerWaalsContact C-N 3.32Å; F320-D322 PolarHBondContact O-N 2.99Å; D322-E324 PolarHBondContact O-N 3.37Å; D322-L325 HydrophobicContact CB-CB 3.88Å; D322-L325 HydrophobicContact CB-CD1 4.04Å; D322-L325 HydrophobicContact CB-CG 4.05Å; D322-L325 PolarHBondContact O-N 3.47Å
323T33.6Very low42.4Very low122 Ų12294.6 Ų94.675%0.74851%0.511SS*.THydrogen-bonded Turntrans-75.512.8-178.6-26.80000108.3P321P321-T323 PolarHBondContact O-N 2.98Å; P321-T323 PolarHBondContact O-OG1 3.21Å
324E34.5Very low43.7Very low177 Ų17789.3 Ų89.383%0.82749%0.489SS*.THydrogen-bonded Turntrans-128.72.3178.2-61.9-166165.900113.7D322D322-E324 PolarHBondContact O-N 3.37Å
325L36Very low45.1Very low65 Ų6590.9 Ų90.934%0.3450%0.496SS..  trans-127.649.8-178.4-57.9176.6000113.6D322 S327 D328D322-L325 HydrophobicContact CB-CB 3.88Å; D322-L325 HydrophobicContact CB-CD1 4.04Å; D322-L325 HydrophobicContact CB-CG 4.05Å; D322-L325 PolarHBondContact O-N 3.47Å; L325-S327 PolarHBondContact O-N 3.09Å; L325-D328 HydrophobicContact CB-CB 3.85Å; L325-D328 VanDerWaalsContact CB-OD2 3.25Å; L325-D328 WeakPolarHBondContact CB-OD2 3.35Å; L325-D328 HydrophobicContact CD1-CB 4.17Å; L325-D328 HydrophobicContact CD2-CB 4.29Å; L325-D328 WeakPolarHBondContact CD2-OD2 3.05Å; L325-D328 HydrophobicContact CG-CB 4.28Å; L325-D328 WeakPolarHBondContact CG-OD2 3.48Å; L325-D328 PolarHBondContact O-N 2.96Å
326N36.8Very low46.7Very low159 Ų15984.6 Ų84.685%0.8546%0.463SS*.THydrogen-bonded Turntrans-67.8-4.1159.7-74.6-27.5000112.2
327S41.2Very low48.4Very low67 Ų6785.1 Ų85.147%0.46946%0.463SS..THydrogen-bonded Turntrans-87.4-33.6169.439.50000114L325 S330L325-S327 PolarHBondContact O-N 3.09Å; S327-S330 WeakPolarHBondContact O-CB 3.19Å; S327-S330 PolarHBondContact O-N 3.42Å; S327-S330 PolarHBondContact O-OG 3.08Å
328D44.8Very low50.1Low39 Ų3985.5 Ų85.521%0.20946%0.464CS..Hα-helixtrans-91.4-12.9-160-58.7-104.5000114.5L325 S330 I331 N332L325-D328 HydrophobicContact CB-CB 3.85Å; L325-D328 VanDerWaalsContact CB-OD2 3.25Å; L325-D328 WeakPolarHBondContact CB-OD2 3.35Å; L325-D328 HydrophobicContact CD1-CB 4.17Å; L325-D328 HydrophobicContact CD2-CB 4.29Å; L325-D328 WeakPolarHBondContact CD2-OD2 3.05Å; L325-D328 HydrophobicContact CG-CB 4.28Å; L325-D328 WeakPolarHBondContact CG-OD2 3.48Å; L325-D328 PolarHBondContact O-N 2.96Å; D328-S330 PolarHBondContact O-N 3Å; D328-I331 PolarHBondContact O-N 3.16Å; D328-N332 WeakPolarHBondContact O-CB 3.47Å; D328-N332 PolarHBondContact O-N 3.43Å; D328-N332 PolarHBondContact O-ND2 2.89Å
329Q50.3Low52.2Low156 Ų15680.9 Ų80.973%0.72943%0.434SS*.Hα-helixtrans-60.2-34164.9-69.2-175.63.600111S333Q329-S333 VanDerWaalsContact O-CB 3.3Å; Q329-S333 WeakPolarHBondContact O-CB 3.33Å; Q329-S333 PolarHBondContact O-N 3.24Å
330S48.5Very low54.3Low79 Ų7976.7 Ų76.755%0.55241%0.413SS*.Hα-helixtrans-70.3-39.717578.30000112.1S327 D328 S333 Q334S327-S330 WeakPolarHBondContact O-CB 3.19Å; S327-S330 PolarHBondContact O-N 3.42Å; S327-S330 PolarHBondContact O-OG 3.08Å; D328-S330 PolarHBondContact O-N 3Å; S330-S333 PolarHBondContact O-N 3.33Å; S330-Q334 WeakPolarHBondContact O-CB 3.46Å; S330-Q334 PolarHBondContact O-N 3.26Å
331I53.8Low56.6Low72 Ų7270.8 Ų70.837%0.36939%0.39SS..Hα-helixtrans-69-45.6-178.7-63.4169.7000110.1D328 S333 Q334 M335D328-I331 PolarHBondContact O-N 3.16Å; I331-S333 VanDerWaalsContact C-N 3.35Å; I331-S333 PolarHBondContact O-N 3.02Å; I331-Q334 PolarHBondContact O-N 2.91Å; I331-M335 HydrophobicContact CG2-CE 3.59Å; I331-M335 HydrophobicContact CG2-SD 4.28Å; I331-M335 VanDerWaalsContact O-CG 3.31Å; I331-M335 WeakPolarHBondContact O-CG 3.45Å; I331-M335 PolarHBondContact O-N 3.26Å
332N61.4Low59.1Low56 Ų5666.7 Ų66.730%0.29936%0.363SS..Hα-helixtrans-63.7-40.7176.1-70-27.2000111.5D328 M335 V336 L419D328-N332 WeakPolarHBondContact O-CB 3.47Å; D328-N332 PolarHBondContact O-N 3.43Å; D328-N332 PolarHBondContact O-ND2 2.89Å; N332-M335 PolarHBondContact O-N 3.48Å; N332-V336 VanDerWaalsContact O-CG2 3.3Å; N332-V336 WeakPolarHBondContact O-CG2 3.3Å; N332-V336 PolarHBondContact O-N 3.42Å; N332-L419 HydrophobicContact CB-CD1 4.38Å
333S66Low61.7Low51 Ų5161.7 Ų61.736%0.35734%0.336SS..Hα-helixtrans-63.7-41.9174.3-172.80000111.9Q329 S330 I331 V336 N337Q329-S333 VanDerWaalsContact O-CB 3.3Å; Q329-S333 WeakPolarHBondContact O-CB 3.33Å; Q329-S333 PolarHBondContact O-N 3.24Å; S330-S333 PolarHBondContact O-N 3.33Å; I331-S333 VanDerWaalsContact C-N 3.35Å; I331-S333 PolarHBondContact O-N 3.02Å; S333-V336 PolarHBondContact O-N 3.47Å; S333-N337 WeakPolarHBondContact O-CB 3.26Å; S333-N337 PolarHBondContact O-N 3.46Å; S333-N337 PolarHBondContact O-ND2 3.4Å
334Q70.5Confident64Low64 Ų6455.9 Ų55.930%0.29930%0.301SS..Hα-helixtrans-66.1-41178.3-171.264.711.700111.3Q271 S330 I331 N337 N338Q271-Q334 PolarHBondContact O-NE2 2.9Å; S330-Q334 WeakPolarHBondContact O-CB 3.46Å; S330-Q334 PolarHBondContact O-N 3.26Å; I331-Q334 PolarHBondContact O-N 2.91Å; Q334-N337 PolarHBondContact O-N 3.17Å; Q334-N338 PolarHBondContact NE2-OD1 2.81Å; Q334-N338 WeakPolarHBondContact O-CB 3.37Å; Q334-N338 PolarHBondContact O-N 3.28Å; Q334-N338 PolarHBondContact O-OD1 3.39Å; Q334-N338 VanDerWaalsContact O-OD1 3.14Å
335M73Confident66.3Low67 Ų6748.2 Ų48.233%0.3327%0.265SS..Hα-helixtrans-61.5-45.9175.8-73.2178.2-179.300112.2I331 N332 N337 N338 I339 F410I331-M335 HydrophobicContact CG2-CE 3.59Å; I331-M335 HydrophobicContact CG2-SD 4.28Å; I331-M335 VanDerWaalsContact O-CG 3.31Å; I331-M335 WeakPolarHBondContact O-CG 3.45Å; I331-M335 PolarHBondContact O-N 3.26Å; N332-M335 PolarHBondContact O-N 3.48Å; M335-N337 VanDerWaalsContact C-N 3.34Å; M335-N338 PolarHBondContact O-N 3.05Å; M335-I339 PolarHBondContact O-N 3.46Å; M335-I339 VanDerWaalsContact O-N 3.1Å; M335-F410 HydrophobicContact SD-CZ 4.4Å
336V74.4Confident68.6Low3 Ų345.1 Ų45.12%0.01825%0.249CC..Hα-helixtrans-63-43.4176.5174.50000110.5Q302 N332 S333 N338 I339 I340 L419 L423Q302-V336 HydrophobicContact CG-CG1 4.38Å; N332-V336 VanDerWaalsContact O-CG2 3.3Å; N332-V336 WeakPolarHBondContact O-CG2 3.3Å; N332-V336 PolarHBondContact O-N 3.42Å; S333-V336 PolarHBondContact O-N 3.47Å; V336-N338 PolarHBondContact O-N 2.95Å; V336-I339 PolarHBondContact O-N 2.9Å; V336-I340 HydrophobicContact CG1-CD1 3.76Å; V336-I340 HydrophobicContact CG1-CG1 4.31Å; V336-I340 VanDerWaalsContact O-CG1 3.32Å; V336-I340 WeakPolarHBondContact O-CG1 3.38Å; V336-I340 PolarHBondContact O-N 3.01Å; V336-L419 HydrophobicContact CG2-CD1 3.52Å; V336-L423 HydrophobicContact CG2-CD2 4.09Å
337N77.6Confident70.7Confident58 Ų5837.7 Ų37.731%0.3121%0.209SC..Hα-helixtrans-60.8-42.4176.2-72.2-19.2000112S333 Q334 M335 I339 I340 C341S333-N337 WeakPolarHBondContact O-CB 3.26Å; S333-N337 PolarHBondContact O-N 3.46Å; S333-N337 PolarHBondContact O-ND2 3.4Å; Q334-N337 PolarHBondContact O-N 3.17Å; M335-N337 VanDerWaalsContact C-N 3.34Å; N337-I339 VanDerWaalsContact C-N 3.3Å; N337-I339 PolarHBondContact O-N 2.75Å; N337-I340 PolarHBondContact O-N 3.34Å; N337-C341 WeakPolarHBondContact O-CB 3.24Å; N337-C341 PolarHBondContact O-N 2.9Å; N337-C341 PolarHBondContact O-SG 2.99Å
338N80.1Confident72.6Confident23 Ų2335 Ų3512%0.12319%0.19CC..Hα-helixtrans-60.1-41.4176.4-68.8-4.3000111.2S268 Q334 M335 V336 C341 F342S268-N338 WeakPolarHBondContact CB-O 3.49Å; S268-N338 VanDerWaalsContact O-CB 3.3Å; S268-N338 WeakPolarHBondContact O-CB 3.29Å; S268-N338 PolarHBondContact O-ND2 3.26Å; S268-N338 PolarHBondContact O-OD1 2.89Å; Q334-N338 PolarHBondContact NE2-OD1 2.81Å; Q334-N338 WeakPolarHBondContact O-CB 3.37Å; Q334-N338 PolarHBondContact O-N 3.28Å; Q334-N338 PolarHBondContact O-OD1 3.39Å; Q334-N338 VanDerWaalsContact O-OD1 3.14Å; M335-N338 PolarHBondContact O-N 3.05Å; V336-N338 PolarHBondContact O-N 2.95Å; N338-C341 WeakPolarHBondContact O-CB 3.3Å; N338-C341 PolarHBondContact O-N 3.47Å; N338-F342 PolarHBondContact O-N 2.92Å
339I81.5Confident74.3Confident3 Ų333.1 Ų33.12%0.01518%0.181CC..Hα-helixtrans-72.4-37.2178.1-68.5165.5000112W265 M335 V336 N337 C341 F342 Y343 F407 F410 L423W265-I339 HydrophobicContact CZ3-CG1 4.37Å; M335-I339 PolarHBondContact O-N 3.46Å; M335-I339 VanDerWaalsContact O-N 3.1Å; V336-I339 PolarHBondContact O-N 2.9Å; N337-I339 VanDerWaalsContact C-N 3.3Å; N337-I339 PolarHBondContact O-N 2.75Å; I339-C341 VanDerWaalsContact C-N 3.29Å; I339-C341 PolarHBondContact O-N 3.27Å; I339-F342 WeakPolarHBondContact O-CB 3.31Å; I339-F342 PolarHBondContact O-N 2.64Å; I339-Y343 HydrophobicContact CG2-CD2 3.77Å; I339-Y343 HydrophobicContact CG2-CE2 3.46Å; I339-Y343 VanDerWaalsContact CG2-CE2 3.46Å; I339-Y343 WeakPolarHBondContact O-CD2 3.44Å; I339-Y343 PolarHBondContact O-N 3.31Å; I339-F407 HydrophobicContact CD1-CE2 4.18Å; I339-F407 HydrophobicContact CG1-CE2 4.43Å; I339-F407 HydrophobicContact CG2-CE2 4.18Å; I339-F410 HydrophobicContact CD1-CD1 4.07Å; I339-F410 HydrophobicContact CD1-CE1 3.35Å; I339-F410 HydrophobicContact CD1-CZ 3.96Å; I339-L423 HydrophobicContact CB-CD2 4.07Å; I339-L423 HydrophobicContact CD1-CD1 3.76Å; I339-L423 HydrophobicContact CD1-CD2 3.41Å; I339-L423 VanDerWaalsContact CD1-CD2 3.41Å; I339-L423 HydrophobicContact CD1-CG 4.22Å; I339-L423 HydrophobicContact CG1-CD2 4.32Å; I339-L423 HydrophobicContact CG2-CD2 4.05Å
340I80.9Confident75.8Confident1 Ų125.7 Ų25.71%0.00515%0.146CC..Hα-helixtrans-59-45.3170.9-70.7167.1000109.8I295 L298 V336 N337 F342 Y343 A344 V426I295-I340 HydrophobicContact CB-CG2 4.2Å; I295-I340 HydrophobicContact CG1-CG2 4.19Å; I295-I340 HydrophobicContact CG2-CG2 3.92Å; L298-I340 HydrophobicContact CB-CG1 4.5Å; L298-I340 HydrophobicContact CB-CG2 3.8Å; L298-I340 HydrophobicContact CD1-CG2 4.26Å; V336-I340 HydrophobicContact CG1-CD1 3.76Å; V336-I340 HydrophobicContact CG1-CG1 4.31Å; V336-I340 VanDerWaalsContact O-CG1 3.32Å; V336-I340 WeakPolarHBondContact O-CG1 3.38Å; V336-I340 PolarHBondContact O-N 3.01Å; N337-I340 PolarHBondContact O-N 3.34Å; I340-F342 PolarHBondContact O-N 3.45Å; I340-Y343 PolarHBondContact O-N 3.16Å; I340-A344 VanDerWaalsContact O-CB 3.3Å; I340-A344 WeakPolarHBondContact O-CB 3.33Å; I340-A344 PolarHBondContact O-N 3.09Å; I340-V426 HydrophobicContact CD1-CG2 4.43Å; I340-V426 HydrophobicContact CG1-CG1 3.7Å; I340-V426 HydrophobicContact CG1-CG2 4.22Å
341C81.4Confident77.3Confident28 Ų2824.3 Ų24.319%0.18913%0.13CC..Hα-helixtrans-60.5-43.6175.1-720000111.7N337 N338 I339 A344 L345N337-C341 WeakPolarHBondContact O-CB 3.24Å; N337-C341 PolarHBondContact O-N 2.9Å; N337-C341 PolarHBondContact O-SG 2.99Å; N338-C341 WeakPolarHBondContact O-CB 3.3Å; N338-C341 PolarHBondContact O-N 3.47Å; I339-C341 VanDerWaalsContact C-N 3.29Å; I339-C341 PolarHBondContact O-N 3.27Å; C341-A344 PolarHBondContact O-N 2.84Å; C341-L345 WeakPolarHBondContact O-CB 3.38Å; C341-L345 VanDerWaalsContact O-CG 3.29Å; C341-L345 WeakPolarHBondContact O-CG 3.37Å; C341-L345 PolarHBondContact O-N 2.87Å
342F84.6Confident78.2Confident4 Ų421.2 Ų21.22%0.01812%0.116CC..Hα-helixtrans-58.1-49.7175.1172.9-110.3000112.2V261 F264 W265 N338 I339 I340 A344 L345 L346 F404V261-F342 HydrophobicContact CG1-CZ 4.42Å; F264-F342 HydrophobicContact CB-CD2 4.21Å; F264-F342 HydrophobicContact CB-CE2 4.32Å; W265-F342 HydrophobicContact CB-CD2 4.09Å; W265-F342 HydrophobicContact CB-CE2 3.88Å; W265-F342 HydrophobicContact CE3-CD1 4.14Å; W265-F342 AromaticContact CE3-CD2 3.98Å; W265-F342 HydrophobicContact CE3-CD2 3.98Å; W265-F342 HydrophobicContact CE3-CE1 4.31Å; W265-F342 HydrophobicContact CE3-CE2 4.16Å; W265-F342 AromaticContact CE3-CG 3.95Å; W265-F342 HydrophobicContact CE3-CG 3.95Å; W265-F342 HydrophobicContact CE3-CZ 4.31Å; W265-F342 HydrophobicContact CZ3-CD1 4.39Å; W265-F342 HydrophobicContact CZ3-CG 4.48Å; N338-F342 PolarHBondContact O-N 2.92Å; I339-F342 WeakPolarHBondContact O-CB 3.31Å; I339-F342 PolarHBondContact O-N 2.64Å; I340-F342 PolarHBondContact O-N 3.45Å; F342-A344 PolarHBondContact O-N 3.28Å; F342-L345 PolarHBondContact O-N 3.46Å; F342-L346 HydrophobicContact CD1-CD1 4.06Å; F342-L346 HydrophobicContact CE1-CD1 3.46Å; F342-L346 VanDerWaalsContact CE1-CD1 3.46Å; F342-L346 HydrophobicContact CE1-CG 4.43Å; F342-L346 HydrophobicContact CE2-CD1 4.05Å; F342-L346 HydrophobicContact CE2-CG 4.23Å; F342-L346 HydrophobicContact CZ-CD1 3.47Å; F342-L346 VanDerWaalsContact CZ-CD1 3.47Å; F342-L346 HydrophobicContact CZ-CG 4.14Å; F342-L346 PolarHBondContact O-N 3.22Å; F342-F404 HydrophobicContact CE1-CE1 4.23Å; F342-F404 HydrophobicContact CE2-CE1 4.32Å; F342-F404 HydrophobicContact CE2-CZ 4.33Å; F342-F404 HydrophobicContact CZ-CD1 4.34Å; F342-F404 AromaticContact CZ-CE1 3.63Å; F342-F404 HydrophobicContact CZ-CE1 3.63Å; F342-F404 HydrophobicContact CZ-CZ 4.08Å
343Y84.9Confident79Confident1 Ų118.6 Ų18.60%0.00410%0.101CC..Hα-helixtrans-65.4-38.1177.5-71.7-38.9000112.8I339 I340 L345 L346 I347 F407 V426 T427 C430 F487I339-Y343 HydrophobicContact CG2-CD2 3.77Å; I339-Y343 HydrophobicContact CG2-CE2 3.46Å; I339-Y343 VanDerWaalsContact CG2-CE2 3.46Å; I339-Y343 WeakPolarHBondContact O-CD2 3.44Å; I339-Y343 PolarHBondContact O-N 3.31Å; I340-Y343 PolarHBondContact O-N 3.16Å; Y343-L345 VanDerWaalsContact C-N 3.35Å; Y343-L345 PolarHBondContact O-N 3.46Å; Y343-L346 HydrophobicContact CD1-CD1 4.23Å; Y343-L346 PolarHBondContact O-N 3.44Å; Y343-I347 VanDerWaalsContact O-CG1 3.26Å; Y343-I347 WeakPolarHBondContact O-CG1 3.03Å; Y343-I347 PolarHBondContact O-N 3.47Å; Y343-F407 WeakPolarHBondContact OH-CE1 3.46Å; Y343-F407 WeakPolarHBondContact OH-CZ 3.36Å; Y343-V426 HydrophobicContact CD2-CG1 3.76Å; Y343-V426 HydrophobicContact CE2-CG1 4.1Å; Y343-T427 PolarHBondContact OH-OG1 3.14Å; Y343-C430 HydrophobicContact CD1-CB 4.38Å; Y343-C430 HydrophobicContact CD2-CB 4.27Å; Y343-C430 HydrophobicContact CG-CB 4.06Å; Y343-F487 AromaticContact CD1-CE1 3.84Å; Y343-F487 HydrophobicContact CD1-CE1 3.84Å; Y343-F487 AromaticContact CE1-CD1 3.82Å; Y343-F487 HydrophobicContact CE1-CD1 3.82Å; Y343-F487 AromaticContact CE1-CE1 3.47Å; Y343-F487 HydrophobicContact CE1-CE1 3.47Å; Y343-F487 VanDerWaalsContact CE1-CE1 3.47Å
344A81.9Confident79.4Confident0 Ų016.8 Ų16.80%09%0.088CC..Hα-helixtrans-63-41.9175.700000111.6L291 I294 I295 L298 I340 C341 F342 I347 C348L291-A344 HydrophobicContact CD1-CB 3.61Å; I294-A344 HydrophobicContact CB-CB 4.26Å; I294-A344 HydrophobicContact CG2-CB 3.75Å; I295-A344 HydrophobicContact CG1-CB 3.71Å; L298-A344 HydrophobicContact CD1-CB 4.39Å; I340-A344 VanDerWaalsContact O-CB 3.3Å; I340-A344 WeakPolarHBondContact O-CB 3.33Å; I340-A344 PolarHBondContact O-N 3.09Å; C341-A344 PolarHBondContact O-N 2.84Å; F342-A344 PolarHBondContact O-N 3.28Å; A344-I347 PolarHBondContact O-N 2.88Å; A344-C348 WeakPolarHBondContact O-CB 3.24Å; A344-C348 PolarHBondContact O-N 3.38Å; A344-C348 PolarHBondContact O-SG 3.38Å; A344-C348 VanDerWaalsContact O-SG 3.36Å
345L81.8Confident79.4Confident16 Ų1617 Ų178%0.0849%0.091CC..Hα-helixtrans-61.9-43.4173.9-72.1171.4000111.9M200 F264 L291 C341 F342 Y343 C348 F349M200-L345 HydrophobicContact CE-CD2 4.28Å; M200-L345 HydrophobicContact SD-CD2 4.32Å; F264-L345 HydrophobicContact CB-CB 4.22Å; F264-L345 HydrophobicContact CB-CD1 4.14Å; F264-L345 HydrophobicContact CG-CB 4.18Å; L291-L345 HydrophobicContact CD1-CD2 4.18Å; L291-L345 HydrophobicContact CD1-CG 4.45Å; C341-L345 WeakPolarHBondContact O-CB 3.38Å; C341-L345 VanDerWaalsContact O-CG 3.29Å; C341-L345 WeakPolarHBondContact O-CG 3.37Å; C341-L345 PolarHBondContact O-N 2.87Å; F342-L345 PolarHBondContact O-N 3.46Å; Y343-L345 VanDerWaalsContact C-N 3.35Å; Y343-L345 PolarHBondContact O-N 3.46Å; L345-C348 PolarHBondContact O-N 2.88Å; L345-F349 VanDerWaalsContact O-CB 3.24Å; L345-F349 WeakPolarHBondContact O-CB 3.47Å; L345-F349 PolarHBondContact O-N 3.47Å
346L84.4Confident79.1Confident0 Ų014.8 Ų14.80%08%0.083CC..Hα-helixtrans-61.9-44.4176.1-75.2175.6000112.5V261 F264 F342 Y343 F349 F350 F397 L401 F487V261-L346 HydrophobicContact CG1-CD2 4.42Å; V261-L346 HydrophobicContact CG2-CD2 3.99Å; F264-L346 HydrophobicContact CD2-CD2 4.08Å; F342-L346 HydrophobicContact CD1-CD1 4.06Å; F342-L346 HydrophobicContact CE1-CD1 3.46Å; F342-L346 VanDerWaalsContact CE1-CD1 3.46Å; F342-L346 HydrophobicContact CE1-CG 4.43Å; F342-L346 HydrophobicContact CE2-CD1 4.05Å; F342-L346 HydrophobicContact CE2-CG 4.23Å; F342-L346 HydrophobicContact CZ-CD1 3.47Å; F342-L346 VanDerWaalsContact CZ-CD1 3.47Å; F342-L346 HydrophobicContact CZ-CG 4.14Å; F342-L346 PolarHBondContact O-N 3.22Å; Y343-L346 HydrophobicContact CD1-CD1 4.23Å; Y343-L346 PolarHBondContact O-N 3.44Å; L346-F349 PolarHBondContact O-N 3.5Å; L346-F350 WeakPolarHBondContact O-CB 3.3Å; L346-F350 PolarHBondContact O-N 3.33Å; L346-F397 HydrophobicContact CD2-CE2 4.37Å; L346-F397 HydrophobicContact CD2-CZ 4Å; L346-L401 HydrophobicContact CD1-CD2 4.18Å; L346-L401 HydrophobicContact CD2-CD2 4.32Å; L346-F487 HydrophobicContact CD1-CZ 4.5Å
347I82.2Confident78.8Confident3 Ų315.8 Ų15.82%0.0159%0.094CC..Hα-helixtrans-64.4-47.2178.5-67.4163.6000110.3I294 L298 Y343 A344 F349 F350 K351 Y433 F434 L437I294-I347 HydrophobicContact CD1-CB 4.39Å; I294-I347 HydrophobicContact CD1-CG2 3.82Å; I294-I347 HydrophobicContact CG2-CD1 3.92Å; L298-I347 HydrophobicContact CD1-CD1 4.21Å; Y343-I347 VanDerWaalsContact O-CG1 3.26Å; Y343-I347 WeakPolarHBondContact O-CG1 3.03Å; Y343-I347 PolarHBondContact O-N 3.47Å; A344-I347 PolarHBondContact O-N 2.88Å; I347-F349 VanDerWaalsContact C-N 3.34Å; I347-F349 PolarHBondContact O-N 3.33Å; I347-F350 PolarHBondContact O-N 2.91Å; I347-K351 VanDerWaalsContact O-CB 3.3Å; I347-K351 WeakPolarHBondContact O-CB 2.95Å; I347-K351 PolarHBondContact O-N 3.5Å; I347-Y433 HydrophobicContact CD1-CD2 4.12Å; I347-Y433 HydrophobicContact CD1-CG 4.09Å; I347-F434 HydrophobicContact CG1-CE2 4.1Å; I347-F434 HydrophobicContact CG1-CZ 4.31Å; I347-L437 HydrophobicContact CG2-CD1 4Å
348C79.6Confident78.1Confident11 Ų1113 Ų137%0.0748%0.079CC..Hα-helixtrans-58.4-46.9176.5-75.70000111.3I294 A344 L345 K351 G352I294-C348 VanDerWaalsContact CD1-SG 3.56Å; A344-C348 WeakPolarHBondContact O-CB 3.24Å; A344-C348 PolarHBondContact O-N 3.38Å; A344-C348 PolarHBondContact O-SG 3.38Å; A344-C348 VanDerWaalsContact O-SG 3.36Å; L345-C348 PolarHBondContact O-N 2.88Å; C348-K351 PolarHBondContact O-N 2.72Å; C348-G352 PolarHBondContact O-N 3.25Å
349F81.4Confident76.8Confident0 Ų015.5 Ų15.50%09%0.092CC..Hα-helixtrans-62.3-48179.2-178.9-104000111.7M200 W256 L257 Q260 F264 L345 L346 I347 K351 G352 Q353 F397M200-F349 HydrophobicContact CE-CB 4.15Å; M200-F349 HydrophobicContact CE-CD2 4.29Å; W256-F349 AromaticContact CH2-CE2 3.73Å; W256-F349 HydrophobicContact CH2-CE2 3.73Å; W256-F349 AromaticContact CH2-CZ 3.66Å; W256-F349 HydrophobicContact CH2-CZ 3.66Å; W256-F349 HydrophobicContact CZ2-CE2 4.49Å; W256-F349 HydrophobicContact CZ3-CE2 4.28Å; W256-F349 AromaticContact CZ3-CZ 3.72Å; W256-F349 HydrophobicContact CZ3-CZ 3.72Å; L257-F349 HydrophobicContact CD1-CE1 4.17Å; L257-F349 HydrophobicContact CG-CE1 4.05Å; Q260-F349 HydrophobicContact CB-CZ 4.33Å; Q260-F349 HydrophobicContact CG-CE2 4.5Å; Q260-F349 HydrophobicContact CG-CZ 4.4Å; F264-F349 HydrophobicContact CE2-CB 3.74Å; F264-F349 AromaticContact CE2-CD1 3.98Å; F264-F349 HydrophobicContact CE2-CD1 3.98Å; F264-F349 AromaticContact CE2-CD2 3.92Å; F264-F349 HydrophobicContact CE2-CD2 3.92Å; F264-F349 HydrophobicContact CE2-CE2 4.5Å; F264-F349 AromaticContact CE2-CG 3.61Å; F264-F349 HydrophobicContact CE2-CG 3.61Å; F264-F349 HydrophobicContact CZ-CB 4.07Å; F264-F349 HydrophobicContact CZ-CD1 4.49Å; F264-F349 AromaticContact CZ-CD2 3.62Å; F264-F349 HydrophobicContact CZ-CD2 3.62Å; F264-F349 HydrophobicContact CZ-CE2 4.12Å; F264-F349 AromaticContact CZ-CG 3.81Å; F264-F349 HydrophobicContact CZ-CG 3.81Å; L345-F349 VanDerWaalsContact O-CB 3.24Å; L345-F349 WeakPolarHBondContact O-CB 3.47Å; L345-F349 PolarHBondContact O-N 3.47Å; L346-F349 PolarHBondContact O-N 3.5Å; I347-F349 VanDerWaalsContact C-N 3.34Å; I347-F349 PolarHBondContact O-N 3.33Å; F349-K351 PolarHBondContact O-N 3.22Å; F349-G352 PolarHBondContact O-N 3.3Å; F349-Q353 HydrophobicContact CD1-CG 4.24Å; F349-Q353 HydrophobicContact CE1-CG 3.94Å; F349-Q353 HydrophobicContact CZ-CG 4.13Å; F349-Q353 WeakPolarHBondContact O-CG 3.26Å; F349-Q353 PolarHBondContact O-N 2.97Å; F349-F397 HydrophobicContact CD1-CE2 4.19Å
350F82.4Confident75.5Confident0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-64-41.3179-172.1-103.1000112.4L346 I347 G352 Q353 L354 L393 L394 F397 F434 L437 L438L346-F350 WeakPolarHBondContact O-CB 3.3Å; L346-F350 PolarHBondContact O-N 3.33Å; I347-F350 PolarHBondContact O-N 2.91Å; F350-G352 VanDerWaalsContact C-N 3.32Å; F350-G352 PolarHBondContact O-N 3.38Å; F350-Q353 PolarHBondContact O-N 2.84Å; F350-Q353 VanDerWaalsContact O-N 3.17Å; F350-L354 HydrophobicContact CD1-CD1 3.74Å; F350-L354 HydrophobicContact CD1-CG 4.23Å; F350-L354 HydrophobicContact CE1-CD1 3.49Å; F350-L354 VanDerWaalsContact CE1-CD1 3.49Å; F350-L354 HydrophobicContact CE1-CD2 4.39Å; F350-L354 HydrophobicContact CE1-CG 3.98Å; F350-L354 HydrophobicContact CZ-CD1 4.32Å; F350-L354 HydrophobicContact CZ-CD2 4.44Å; F350-L354 HydrophobicContact CZ-CG 4.37Å; F350-L354 WeakPolarHBondContact O-CG 3.29Å; F350-L354 PolarHBondContact O-N 3.24Å; F350-L393 HydrophobicContact CE2-CD2 4.17Å; F350-L393 HydrophobicContact CE2-CG 4.08Å; F350-L394 HydrophobicContact CZ-CD1 4.2Å; F350-F397 HydrophobicContact CB-CE2 4.43Å; F350-F397 HydrophobicContact CB-CZ 4.3Å; F350-F397 HydrophobicContact CD2-CB 4.27Å; F350-F397 AromaticContact CD2-CD1 3.85Å; F350-F397 HydrophobicContact CD2-CD1 3.85Å; F350-F397 AromaticContact CD2-CD2 3.89Å; F350-F397 HydrophobicContact CD2-CD2 3.89Å; F350-F397 HydrophobicContact CD2-CE1 4.09Å; F350-F397 HydrophobicContact CD2-CE2 4.16Å; F350-F397 AromaticContact CD2-CG 3.74Å; F350-F397 HydrophobicContact CD2-CG 3.74Å; F350-F397 HydrophobicContact CD2-CZ 4.24Å; F350-F397 HydrophobicContact CE2-CB 4.08Å; F350-F397 HydrophobicContact CE2-CD1 4.07Å; F350-F397 AromaticContact CE2-CG 3.99Å; F350-F397 HydrophobicContact CE2-CG 3.99Å; F350-F434 HydrophobicContact CB-CE1 3.71Å; F350-F434 HydrophobicContact CB-CZ 4.48Å; F350-F434 AromaticContact CD1-CD1 3.64Å; F350-F434 HydrophobicContact CD1-CD1 3.64Å; F350-F434 AromaticContact CD1-CE1 3.59Å; F350-F434 HydrophobicContact CD1-CE1 3.59Å; F350-F434 HydrophobicContact CD2-CE1 4.21Å; F350-F434 AromaticContact CE1-CD1 3.93Å; F350-F434 HydrophobicContact CE1-CD1 3.93Å; F350-F434 HydrophobicContact CE1-CE1 4.22Å; F350-F434 HydrophobicContact CG-CD1 4.12Å; F350-F434 AromaticContact CG-CE1 3.58Å; F350-F434 HydrophobicContact CG-CE1 3.58Å; F350-L437 HydrophobicContact CD1-CD1 4.4Å; F350-L438 HydrophobicContact CE1-CD2 4.01Å; F350-L438 HydrophobicContact CE1-CG 4.32Å; F350-L438 HydrophobicContact CZ-CD2 4.17Å
351K79.5Confident73.8Confident50 Ų5019.7 Ų19.722%0.21711%0.111CC..Hα-helixtrans-59.5-43.9172.8-176.8-175.7176.9-167.40111.3I347 C348 F349 Q353 L354 N355 L437I347-K351 VanDerWaalsContact O-CB 3.3Å; I347-K351 WeakPolarHBondContact O-CB 2.95Å; I347-K351 PolarHBondContact O-N 3.5Å; C348-K351 PolarHBondContact O-N 2.72Å; F349-K351 PolarHBondContact O-N 3.22Å; K351-Q353 VanDerWaalsContact C-N 3.33Å; K351-Q353 PolarHBondContact O-N 2.83Å; K351-L354 PolarHBondContact O-N 3.44Å; K351-N355 PolarHBondContact O-N 2.96Å; K351-L437 HydrophobicContact CB-CD1 4.15Å; K351-L437 HydrophobicContact CB-CD2 4.24Å; K351-L437 HydrophobicContact CD-CD2 4.15Å; K351-L437 HydrophobicContact CG-CD2 3.97Å
352G73.1Confident71.8Confident7 Ų720.2 Ų20.27%0.07211%0.114CC..Hα-helixtrans-57.4-45.5173.400000111.9M199 C348 F349 F350 N355 A356M199-G352 VanDerWaalsContact CE-O 3.27Å; M199-G352 WeakPolarHBondContact CE-O 3.45Å; C348-G352 PolarHBondContact O-N 3.25Å; F349-G352 PolarHBondContact O-N 3.3Å; F350-G352 VanDerWaalsContact C-N 3.32Å; F350-G352 PolarHBondContact O-N 3.38Å; G352-N355 PolarHBondContact O-N 3.39Å; G352-A356 WeakPolarHBondContact O-CB 3.5Å; G352-A356 PolarHBondContact O-N 3.5Å
353Q76.9Confident69.6Low0 Ų025.6 Ų25.60%014%0.14CC..Hα-helixtrans-63.2-42.9179.3-67.1-67.4-17.700112.3M199 Y253 F349 F350 K351 N355 A356 G357 L393M199-Q353 HydrophobicContact CE-CB 3.87Å; M199-Q353 HydrophobicContact CE-CG 3.52Å; M199-Q353 VanDerWaalsContact CE-OE1 3.32Å; M199-Q353 PolarHBondContact SD-NE2 3.3Å; Y253-Q353 PolarHBondContact OH-OE1 3.33Å; Y253-Q353 VanDerWaalsContact OH-OE1 3.04Å; F349-Q353 HydrophobicContact CD1-CG 4.24Å; F349-Q353 HydrophobicContact CE1-CG 3.94Å; F349-Q353 HydrophobicContact CZ-CG 4.13Å; F349-Q353 WeakPolarHBondContact O-CG 3.26Å; F349-Q353 PolarHBondContact O-N 2.97Å; F350-Q353 PolarHBondContact O-N 2.84Å; F350-Q353 VanDerWaalsContact O-N 3.17Å; K351-Q353 VanDerWaalsContact C-N 3.33Å; K351-Q353 PolarHBondContact O-N 2.83Å; Q353-N355 VanDerWaalsContact C-N 3.29Å; Q353-N355 PolarHBondContact O-N 2.92Å; Q353-A356 PolarHBondContact O-N 3.32Å; Q353-G357 PolarHBondContact O-N 3.29Å; Q353-L393 HydrophobicContact CB-CD1 3.99Å; Q353-L393 HydrophobicContact CB-CD2 3.89Å
354L75Confident67.2Low13 Ų1332.6 Ų32.67%0.06818%0.175CC..Hα-helixtrans-59.2-41.6173.5-73.6171.2000111.8F350 K351 L393 L437 L438 F441F350-L354 HydrophobicContact CD1-CD1 3.74Å; F350-L354 HydrophobicContact CD1-CG 4.23Å; F350-L354 HydrophobicContact CE1-CD1 3.49Å; F350-L354 VanDerWaalsContact CE1-CD1 3.49Å; F350-L354 HydrophobicContact CE1-CD2 4.39Å; F350-L354 HydrophobicContact CE1-CG 3.98Å; F350-L354 HydrophobicContact CZ-CD1 4.32Å; F350-L354 HydrophobicContact CZ-CD2 4.44Å; F350-L354 HydrophobicContact CZ-CG 4.37Å; F350-L354 WeakPolarHBondContact O-CG 3.29Å; F350-L354 PolarHBondContact O-N 3.24Å; K351-L354 PolarHBondContact O-N 3.44Å; L354-L393 HydrophobicContact CD2-CD2 3.76Å; L354-L393 HydrophobicContact CG-CD2 4.05Å; L354-L437 HydrophobicContact CD1-CB 4.3Å; L354-L438 HydrophobicContact CD1-CD2 4.49Å; L354-F441 HydrophobicContact CB-CE2 4.48Å; L354-F441 HydrophobicContact CB-CZ 4.36Å; L354-F441 HydrophobicContact CD1-CE2 4.12Å; L354-F441 HydrophobicContact CD2-CE2 3.99Å; L354-F441 HydrophobicContact CD2-CZ 4.12Å; L354-F441 HydrophobicContact CG-CE2 4.45Å
355N70.4Confident65.1Low70 Ų7038.9 Ų38.937%0.37421%0.209SC..Hα-helixtrans-74.6-35.7-179.7-74.4-0.7000113.4K351 G352 Q353 G357K351-N355 PolarHBondContact O-N 2.96Å; G352-N355 PolarHBondContact O-N 3.39Å; Q353-N355 VanDerWaalsContact C-N 3.29Å; Q353-N355 PolarHBondContact O-N 2.92Å; N355-G357 PolarHBondContact O-N 3.01Å
356A67.7Low62.8Low19 Ų1946.4 Ų46.416%0.15724%0.244CC..Hα-helixtrans-69.1-23.8-178.500000112.7M199 L230 G352 Q353 L358M199-A356 HydrophobicContact CE-CB 3.69Å; M199-A356 HydrophobicContact CG-CB 4.44Å; M199-A356 HydrophobicContact SD-CB 4.47Å; L230-A356 HydrophobicContact CD1-CB 4.17Å; G352-A356 WeakPolarHBondContact O-CB 3.5Å; G352-A356 PolarHBondContact O-N 3.5Å; Q353-A356 PolarHBondContact O-N 3.32Å; A356-L358 PolarHBondContact O-N 2.92Å
357G66.6Low60.2Low24 Ų2450.2 Ų50.225%0.24727%0.269CS..THydrogen-bonded Turntrans57.345.7175.100000112.8Q353 N355 I359Q353-G357 PolarHBondContact O-N 3.29Å; N355-G357 PolarHBondContact O-N 3.01Å; G357-I359 VanDerWaalsContact C-N 3.26Å; G357-I359 WeakPolarHBondContact O-CG1 3.18Å; G357-I359 PolarHBondContact O-N 2.81Å
358L63.3Low57.7Low1 Ų156.7 Ų56.71%0.00530%0.303CS..  trans-66.784176.9-75.5170000110.4L195 L230 T233 L234 I237 Y253 A356 F360 F389L195-L358 HydrophobicContact CD2-CD1 3.84Å; L195-L358 HydrophobicContact CD2-CD2 4.09Å; L195-L358 HydrophobicContact CD2-CG 4.3Å; L230-L358 HydrophobicContact CD1-CD2 4.26Å; T233-L358 HydrophobicContact CG2-CD2 3.91Å; L234-L358 HydrophobicContact CD2-CD2 4.22Å; I237-L358 HydrophobicContact CD1-CD2 4.08Å; Y253-L358 HydrophobicContact CE2-CD1 4.07Å; A356-L358 PolarHBondContact O-N 2.92Å; L358-F360 HydrophobicContact CB-CE2 4.29Å; L358-F360 WeakPolarHBondContact O-CD2 3.37Å; L358-F360 PolarHBondContact O-N 2.94Å; L358-F360 VanDerWaalsContact O-N 3.08Å; L358-F389 HydrophobicContact CB-CE2 4.48Å; L358-F389 WeakPolarHBondContact O-CD2 3.23Å; L358-F389 WeakPolarHBondContact O-CE2 3.42Å
359I54.4Low55.3Low75 Ų7562.7 Ų62.739%0.38534%0.344SS..  trans-70.5104.3-179.3-63.9161.7000108.9G357 H361G357-I359 VanDerWaalsContact C-N 3.26Å; G357-I359 WeakPolarHBondContact O-CG1 3.18Å; G357-I359 PolarHBondContact O-N 2.81Å; I359-H361 HydrophobicContact CG2-CB 4.13Å; I359-H361 WeakPolarHBondContact CG2-O 3.29Å; I359-H361 PolarHBondContact O-N 2.82Å; I359-H361 VanDerWaalsContact O-N 3.1Å
360F52.6Low52.8Low13 Ų1369.4 Ų69.46%0.05738%0.38CS..SBendtrans-75.217171.8-78.3-75.6000113.9F192 I237 A249 Y253 L358F192-F360 HydrophobicContact CZ-CZ 4.45Å; I237-F360 HydrophobicContact CD1-CE1 4Å; I237-F360 HydrophobicContact CD1-CZ 4.18Å; I237-F360 HydrophobicContact CG1-CE1 4.42Å; I237-F360 HydrophobicContact CG2-CD1 4.41Å; A249-F360 HydrophobicContact CB-CE1 4.48Å; Y253-F360 HydrophobicContact CD1-CD2 4.38Å; Y253-F360 AromaticContact CD1-CE2 3.47Å; Y253-F360 HydrophobicContact CD1-CE2 3.47Å; Y253-F360 VanDerWaalsContact CD1-CE2 3.47Å; Y253-F360 AromaticContact CD1-CZ 3.68Å; Y253-F360 HydrophobicContact CD1-CZ 3.68Å; Y253-F360 AromaticContact CD2-CE2 3.82Å; Y253-F360 HydrophobicContact CD2-CE2 3.82Å; Y253-F360 AromaticContact CD2-CZ 3.52Å; Y253-F360 HydrophobicContact CD2-CZ 3.52Å; Y253-F360 AromaticContact CE1-CE2 3.75Å; Y253-F360 HydrophobicContact CE1-CE2 3.75Å; Y253-F360 HydrophobicContact CE1-CZ 4.33Å; Y253-F360 HydrophobicContact CE2-CE2 4.06Å; Y253-F360 HydrophobicContact CE2-CZ 4.19Å; Y253-F360 HydrophobicContact CG-CE1 4.2Å; Y253-F360 AromaticContact CG-CE2 3.51Å; Y253-F360 HydrophobicContact CG-CE2 3.51Å; Y253-F360 AromaticContact CG-CZ 3.21Å; Y253-F360 HydrophobicContact CG-CZ 3.21Å; L358-F360 HydrophobicContact CB-CE2 4.29Å; L358-F360 WeakPolarHBondContact O-CD2 3.37Å; L358-F360 PolarHBondContact O-N 2.94Å; L358-F360 VanDerWaalsContact O-N 3.08Å
361H46.3Very low50.5Low79 Ų7978 Ų7837%0.36642%0.419SS..  trans-123.782.7176.6-120.638.7000110E246 I359 Q363E246-H361 IonicContact OE1-CE1 3.22Å; E246-H361 PolarHBondContact OE1-CE1 3.16Å; E246-H361 VanDerWaalsContact OE1-CE1 3.31Å; E246-H361 IonicContact OE1-ND1 3.36Å; E246-H361 PolarHBondContact OE1-ND1 3.41Å; I359-H361 HydrophobicContact CG2-CB 4.13Å; I359-H361 WeakPolarHBondContact CG2-O 3.29Å; I359-H361 PolarHBondContact O-N 2.82Å; I359-H361 VanDerWaalsContact O-N 3.1Å; H361-Q363 PolarHBondContact O-N 3.36Å
362C38.5Very low48.1Very low38 Ų3884.2 Ų84.226%0.25745%0.449SS..  trans-64.7126.5171.3-80.10000110N238 C241 I364N238-C362 VanDerWaalsContact CA-SG 3.59Å; C241-C362 HydrophobicContact CB-CB 3.37Å; C362-I364 PolarHBondContact O-N 3.47Å
363Q38.9Very low46.1Very low117 Ų11792.3 Ų92.355%0.54749%0.485SS..  trans-48.9118.8168.1-69.5162.5-10.100108.9H361 D365H361-Q363 PolarHBondContact O-N 3.36Å; Q363-D365 PolarHBondContact O-N 3.1Å
364I35.1Very low43.9Very low148 Ų14898.8 Ų98.876%0.75952%0.515SS*.  trans-7085158.2-60.4171.9000105.3C362 Q366C362-I364 PolarHBondContact O-N 3.47Å; I364-Q366 VanDerWaalsContact C-N 3.28Å; I364-Q366 HydrophobicContact CG2-CG 3.8Å; I364-Q366 PolarHBondContact O-N 2.94Å; I364-Q366 VanDerWaalsContact O-N 3.08Å
365D36.3Very low42Very low133 Ų133106.9 Ų106.971%0.71155%0.552SS**  trans-66.397.5153-83.8-27.3000105.7Q363 P367Q363-D365 PolarHBondContact O-N 3.1Å; D365-P367 WeakPolarHBondContact O-CD 3.29Å
366Q33.6Very low40.4Very low173 Ų173110.4 Ų110.481%0.80857%0.57SS**  trans-78.3106.4158.5-90.8-179200107.1I364I364-Q366 VanDerWaalsContact C-N 3.28Å; I364-Q366 HydrophobicContact CG2-CG 3.8Å; I364-Q366 PolarHBondContact O-N 2.94Å; I364-Q366 VanDerWaalsContact O-N 3.08Å
367P30.4Very low39Very low80 Ų80113.7 Ų113.752%0.51958%0.582SS.*  trans-76140.7157.734.6-30.9000107.2D365D365-P367 WeakPolarHBondContact O-CD 3.29Å
368N30Very low37.5Very low139 Ų139120.2 Ų120.274%0.74360%0.603SS**  trans86.681.3166.2-48.9-25.5000117.3
369C29.9Very low36.3Very low137 Ų137127.2 Ų127.293%0.92664%0.636SS**  -137.9131.1126.4-99.40000108.7
370N28.7Very low35.3Very low142 Ų142129.1 Ų129.176%0.75964%0.643SS**  trans-63.5154.6-165.6-64.2-47.8000114.1
371H32.3Very low34.5Very low179 Ų179134.3 Ų134.383%0.82967%0.668SS**  trans101.7114.3159.6-63-51.2000118.8H373H371-H373 PolarHBondContact O-N 3.44Å
372H29.5Very low34Very low181 Ų181136.3 Ų136.384%0.83868%0.677SS**SBendtrans-18104155.5-74.5-48.8000114.6
373H31Very low34Very low178 Ų178140 Ų14082%0.82469%0.69SS**  trans16590.6142.6-90.6-61.9000107.2H371H371-H373 PolarHBondContact O-N 3.44Å
374H32.4Very low34.3Very low135 Ų135141.6 Ų141.663%0.62570%0.695SS**  trans170.981.4149.4-93.7-51.9000111.4H377H374-H377 HydrophobicContact CB-CB 4.42Å; H374-H377 AromaticContact CD2-CD2 3.74Å; H374-H377 AromaticContact CE1-CD2 3.32Å; H374-H377 PolarHBondContact CE1-CD2 3.26Å; H374-H377 AromaticContact CE1-NE2 3.75Å; H374-H377 AromaticContact CG-CD2 3.64Å; H374-H377 AromaticContact ND1-CD2 3.38Å; H374-H377 PolarHBondContact ND1-CD2 2.91Å; H374-H377 AromaticContact NE2-CD2 3.54Å; H374-H377 AromaticContact NE2-NE2 3.99Å
375H34.7Very low34.9Very low183 Ų183136.6 Ų136.685%0.84767%0.674SS**SBendtrans-82.41.1164.6-120.9-74000112.8
376L36.4Very low35.7Very low145 Ų145136.9 Ų136.976%0.75967%0.671SS**SBendtrans-105.7-10.4-177.7-97.7115.7000115.4
377H38.7Very low36.6Very low87 Ų87131.4 Ų131.440%0.40364%0.643SS.*SBendtrans-94.9-9.1-179.4-91.9-61000114.8H374H374-H377 HydrophobicContact CB-CB 4.42Å; H374-H377 AromaticContact CD2-CD2 3.74Å; H374-H377 AromaticContact CE1-CD2 3.32Å; H374-H377 PolarHBondContact CE1-CD2 3.26Å; H374-H377 AromaticContact CE1-NE2 3.75Å; H374-H377 AromaticContact CG-CD2 3.64Å; H374-H377 AromaticContact ND1-CD2 3.38Å; H374-H377 PolarHBondContact ND1-CD2 2.91Å; H374-H377 AromaticContact NE2-CD2 3.54Å; H374-H377 AromaticContact NE2-NE2 3.99Å
378K35.6Very low38.1Very low161 Ų161130.4 Ų130.470%0.763%0.633SS**Hα-helixtrans-69.8-34.3179.7-89.9-174.9168.9-172.80113.6
379E36.3Very low39.9Very low148 Ų148125 Ų12569%0.69260%0.603SS**Hα-helixtrans-74.3-31.4-178.5-69.6179.1167.300113.3H381 Q383E379-H381 PolarHBondContact O-N 3.04Å; E379-Q383 WeakPolarHBondContact O-CG 3.38Å; E379-Q383 PolarHBondContact O-N 3.33Å
380Q33.4Very low41.8Very low116 Ų116118.9 Ų118.954%0.54256%0.562SS.*Hα-helixtrans-75.6-23.1-176.1-71.5-173.8-9.200114.1
381H36Very low43.9Very low122 Ų122112.8 Ų112.857%0.56553%0.529SS*.Hα-helixtrans-90.2-30.5179.1-81.3-75.1000113.1E379 K384E379-H381 PolarHBondContact O-N 3.04Å; H381-K384 PolarHBondContact O-N 3.11Å
382Q36.6Very low46Very low120 Ų120106 Ų10656%0.56150%0.497SS*.Hα-helixtrans-68-37.2173.3-111.4157.9-13.100112.3K384Q382-K384 VanDerWaalsContact C-N 3.29Å; Q382-K384 PolarHBondContact O-N 2.91Å
383Q39.2Very low48.2Very low115 Ų11597.6 Ų97.654%0.53746%0.459SS..Hα-helixtrans-66.2-27.2176.6-74.8176.3-5.500113.2E379 S385 Y387E379-Q383 WeakPolarHBondContact O-CG 3.38Å; E379-Q383 PolarHBondContact O-N 3.33Å; Q383-S385 PolarHBondContact O-N 3.37Å; Q383-Y387 WeakPolarHBondContact O-CD2 3.42Å; Q383-Y387 WeakPolarHBondContact O-CE2 3.5Å
384K43.8Very low50.5Low151 Ų15189.1 Ų89.166%0.65742%0.42SS*.Hα-helixtrans-71-26.9-175.8-85.3178.9176177.90114.7H381 Q382H381-K384 PolarHBondContact O-N 3.11Å; Q382-K384 VanDerWaalsContact C-N 3.29Å; Q382-K384 PolarHBondContact O-N 2.91Å
385S48.2Very low52.9Low44 Ų4485.4 Ų85.431%0.30840%0.403SS..Hα-helixtrans-88.3-22.5-172.1-75.30000115.1Q383 Y387Q383-S385 PolarHBondContact O-N 3.37Å; S385-Y387 VanDerWaalsContact C-N 3.3Å; S385-Y387 PolarHBondContact O-N 3.01Å
386E52.3Low55Low138 Ų13877.7 Ų77.765%0.64537%0.368SS*.THydrogen-bonded Turntrans-69.8-26.5-176.2-121.3171.2-17600113.1
387Y53.2Low57.2Low58 Ų5870.8 Ų70.823%0.22733%0.332CS..THydrogen-bonded Turntrans-78.8-23-172.9-60.1-71.4000115.1Q383 S385 R448Q383-Y387 WeakPolarHBondContact O-CD2 3.42Å; Q383-Y387 WeakPolarHBondContact O-CE2 3.5Å; S385-Y387 VanDerWaalsContact C-N 3.3Å; S385-Y387 PolarHBondContact O-N 3.01Å; Y387-R448 VanDerWaalsContact CZ-NH1 3.27Å; Y387-R448 WeakPolarHBondContact OH-CD 3.34Å; Y387-R448 PolarHBondContact OH-NH1 3.32Å
388L61.7Low59.4Low59 Ų5966.6 Ų66.631%0.30931%0.313SS..THydrogen-bonded Turntrans-86.4-22.3-172.2-143.876000112.4I391 E392L388-I391 PolarHBondContact O-N 3.04Å; L388-I391 VanDerWaalsContact O-N 3.15Å; L388-E392 HydrophobicContact CD2-CG 4.24Å; L388-E392 HydrophobicContact CG-CG 4.25Å; L388-E392 PolarHBondContact O-N 2.78Å
389F67.8Low61.6Low26 Ų2662.2 Ų62.211%0.11430%0.297CS..Hα-helixtrans-56.1-49.2-173.8168.4-102.8000113.9L358 I391 E392 L393L358-F389 HydrophobicContact CB-CE2 4.48Å; L358-F389 WeakPolarHBondContact O-CD2 3.23Å; L358-F389 WeakPolarHBondContact O-CE2 3.42Å; F389-I391 VanDerWaalsContact C-N 3.27Å; F389-I391 PolarHBondContact O-N 3.26Å; F389-E392 PolarHBondContact O-N 3.26Å; F389-L393 HydrophobicContact CE1-CD2 4.4Å; F389-L393 HydrophobicContact CZ-CD2 4.08Å; F389-L393 WeakPolarHBondContact O-CB 3.48Å; F389-L393 PolarHBondContact O-N 3.06Å
390P70.4Confident63.8Low9 Ų955.3 Ų55.36%0.05827%0.265CS..Hα-helixtrans-64.8-31.6180-22.234.4000113.1L394 F441 F476P390-L394 WeakPolarHBondContact O-CB 3.33Å; P390-L394 PolarHBondContact O-N 2.83Å; P390-F441 HydrophobicContact CB-CD1 4.44Å; P390-F441 HydrophobicContact CG-CD1 3.78Å; P390-F441 HydrophobicContact CG-CE1 4.28Å; P390-F441 HydrophobicContact CG-CG 4.31Å; P390-F476 HydrophobicContact CB-CE2 4.15Å
391I73Confident66.1Low14 Ų1450.3 Ų50.37%0.07224%0.242CC..Hα-helixtrans-69.9-49.7177.6-60.9165.7000109.5L388 F389 L394 M395 M445 N472 K475 F476L388-I391 PolarHBondContact O-N 3.04Å; L388-I391 VanDerWaalsContact O-N 3.15Å; F389-I391 VanDerWaalsContact C-N 3.27Å; F389-I391 PolarHBondContact O-N 3.26Å; I391-L394 PolarHBondContact O-N 3.22Å; I391-M395 VanDerWaalsContact O-CG 3.3Å; I391-M395 WeakPolarHBondContact O-CG 3.38Å; I391-M395 PolarHBondContact O-N 3.4Å; I391-M445 HydrophobicContact CD1-CE 4.09Å; I391-M445 HydrophobicContact CG1-CE 4.43Å; I391-N472 HydrophobicContact CD1-CB 4.43Å; I391-K475 HydrophobicContact CG2-CB 4.47Å; I391-F476 HydrophobicContact CD1-CB 4.37Å; I391-F476 HydrophobicContact CG1-CB 4Å; I391-F476 HydrophobicContact CG1-CD2 3.72Å; I391-F476 HydrophobicContact CG1-CG 4.36Å
392E75Confident68.4Low35 Ų3548.7 Ų48.716%0.16423%0.233CC..Hα-helixtrans-63-43.5179.7-67.2-165.7136.900111.7R250 L388 F389 L394 M395 D396R250-E392 IonicContact CZ-OE1 3.8Å; R250-E392 IonicContact CZ-OE2 3.48Å; R250-E392 IonicContact NH1-OE1 2.78Å; R250-E392 PolarHBondContact NH1-OE1 3.15Å; R250-E392 IonicContact NH2-OE1 2.64Å; R250-E392 PolarHBondContact NH2-OE1 3.46Å; R250-E392 IonicContact NH2-OE2 2.76Å; R250-E392 PolarHBondContact NH2-OE2 3.02Å; L388-E392 HydrophobicContact CD2-CG 4.24Å; L388-E392 HydrophobicContact CG-CG 4.25Å; L388-E392 PolarHBondContact O-N 2.78Å; F389-E392 PolarHBondContact O-N 3.26Å; E392-L394 PolarHBondContact O-N 3.26Å; E392-M395 PolarHBondContact O-N 2.95Å; E392-D396 WeakPolarHBondContact O-CB 3.42Å; E392-D396 PolarHBondContact O-N 3.46Å
393L77.2Confident70.3Confident5 Ų546 Ų463%0.02623%0.227CC..Hα-helixtrans-60-45.1175.7178.165.9000111.7Y253 F350 Q353 L354 F389 M395 D396 F397Y253-L393 VanDerWaalsContact OH-CD1 3.22Å; Y253-L393 WeakPolarHBondContact OH-CD1 3.19Å; F350-L393 HydrophobicContact CE2-CD2 4.17Å; F350-L393 HydrophobicContact CE2-CG 4.08Å; Q353-L393 HydrophobicContact CB-CD1 3.99Å; Q353-L393 HydrophobicContact CB-CD2 3.89Å; L354-L393 HydrophobicContact CD2-CD2 3.76Å; L354-L393 HydrophobicContact CG-CD2 4.05Å; F389-L393 HydrophobicContact CE1-CD2 4.4Å; F389-L393 HydrophobicContact CZ-CD2 4.08Å; F389-L393 WeakPolarHBondContact O-CB 3.48Å; F389-L393 PolarHBondContact O-N 3.06Å; L393-M395 VanDerWaalsContact C-N 3.32Å; L393-M395 PolarHBondContact O-N 3.27Å; L393-D396 PolarHBondContact O-N 3.49Å; L393-F397 WeakPolarHBondContact O-CB 3.37Å; L393-F397 PolarHBondContact O-N 3.24Å
394L79.8Confident72.3Confident0 Ų041.4 Ų41.40%021%0.206CC..Hα-helixtrans-62.8-40.4179-177.860.1000111.3F350 P390 I391 E392 T398 L438 F476 A479 F480 L483F350-L394 HydrophobicContact CZ-CD1 4.2Å; P390-L394 WeakPolarHBondContact O-CB 3.33Å; P390-L394 PolarHBondContact O-N 2.83Å; I391-L394 PolarHBondContact O-N 3.22Å; E392-L394 PolarHBondContact O-N 3.26Å; L394-T398 WeakPolarHBondContact O-CB 3.46Å; L394-T398 PolarHBondContact O-N 2.96Å; L394-T398 PolarHBondContact O-OG1 2.79Å; L394-L438 HydrophobicContact CD1-CD1 4.22Å; L394-L438 HydrophobicContact CD2-CD1 4.24Å; L394-F476 HydrophobicContact CD2-CE2 4.48Å; L394-A479 HydrophobicContact CB-CB 4.49Å; L394-A479 HydrophobicContact CD2-CB 3.66Å; L394-A479 HydrophobicContact CG-CB 3.97Å; L394-F480 HydrophobicContact CD2-CB 4.07Å; L394-F480 HydrophobicContact CD2-CD2 4.49Å; L394-L483 HydrophobicContact CD1-CB 4.32Å; L394-L483 HydrophobicContact CD1-CD1 4.42Å; L394-L483 HydrophobicContact CD1-CD2 3.99Å; L394-L483 HydrophobicContact CD1-CG 4.47Å
395M81.3Confident74Confident58 Ų5839.1 Ų39.129%0.28620%0.197SC..Hα-helixtrans-65.6-50.1176.1-69.5-62-65.300111.9I391 E392 L393 F397 T398 D399 A479I391-M395 VanDerWaalsContact O-CG 3.3Å; I391-M395 WeakPolarHBondContact O-CG 3.38Å; I391-M395 PolarHBondContact O-N 3.4Å; E392-M395 PolarHBondContact O-N 2.95Å; L393-M395 VanDerWaalsContact C-N 3.32Å; L393-M395 PolarHBondContact O-N 3.27Å; M395-F397 VanDerWaalsContact C-N 3.32Å; M395-F397 PolarHBondContact O-N 3.03Å; M395-T398 PolarHBondContact O-N 3.19Å; M395-D399 WeakPolarHBondContact O-CB 3.43Å; M395-D399 PolarHBondContact O-N 3.09Å; M395-A479 HydrophobicContact CG-CB 4.05Å; M395-A479 HydrophobicContact SD-CB 3.44Å; M395-A479 WeakPolarHBondContact SD-CB 3.4Å
396D79.3Confident75.5Confident20 Ų2039.5 Ų39.511%0.10720%0.199CC..Hα-helixtrans-62.7-39180-76.8-11.5000111.9T254 E392 L393 S400T254-D396 HydrophobicContact CG2-CB 3.91Å; E392-D396 WeakPolarHBondContact O-CB 3.42Å; E392-D396 PolarHBondContact O-N 3.46Å; L393-D396 PolarHBondContact O-N 3.49Å; D396-S400 WeakPolarHBondContact O-CB 3.46Å; D396-S400 PolarHBondContact O-N 3.07Å; D396-S400 VanDerWaalsContact O-N 3.09Å; D396-S400 PolarHBondContact O-OG 3.28Å
397F83.3Confident76.7Confident0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-65.6-45.2174.5-172-102.5000111.5L257 L346 F349 F350 L393 M395 S400 L401 F434 L483L257-F397 HydrophobicContact CD1-CD2 4.27Å; L257-F397 HydrophobicContact CD2-CD2 3.81Å; L257-F397 HydrophobicContact CD2-CE2 4.45Å; L346-F397 HydrophobicContact CD2-CE2 4.37Å; L346-F397 HydrophobicContact CD2-CZ 4Å; F349-F397 HydrophobicContact CD1-CE2 4.19Å; F350-F397 HydrophobicContact CB-CE2 4.43Å; F350-F397 HydrophobicContact CB-CZ 4.3Å; F350-F397 HydrophobicContact CD2-CB 4.27Å; F350-F397 AromaticContact CD2-CD1 3.85Å; F350-F397 HydrophobicContact CD2-CD1 3.85Å; F350-F397 AromaticContact CD2-CD2 3.89Å; F350-F397 HydrophobicContact CD2-CD2 3.89Å; F350-F397 HydrophobicContact CD2-CE1 4.09Å; F350-F397 HydrophobicContact CD2-CE2 4.16Å; F350-F397 AromaticContact CD2-CG 3.74Å; F350-F397 HydrophobicContact CD2-CG 3.74Å; F350-F397 HydrophobicContact CD2-CZ 4.24Å; F350-F397 HydrophobicContact CE2-CB 4.08Å; F350-F397 HydrophobicContact CE2-CD1 4.07Å; F350-F397 AromaticContact CE2-CG 3.99Å; F350-F397 HydrophobicContact CE2-CG 3.99Å; L393-F397 WeakPolarHBondContact O-CB 3.37Å; L393-F397 PolarHBondContact O-N 3.24Å; M395-F397 VanDerWaalsContact C-N 3.32Å; M395-F397 PolarHBondContact O-N 3.03Å; F397-S400 WeakPolarHBondContact O-CB 3.35Å; F397-S400 PolarHBondContact O-N 3.36Å; F397-L401 HydrophobicContact CD1-CD1 3.82Å; F397-L401 HydrophobicContact CE1-CD1 3.44Å; F397-L401 VanDerWaalsContact CE1-CD1 3.44Å; F397-L401 HydrophobicContact CE1-CG 4.25Å; F397-L401 HydrophobicContact CZ-CD1 4.09Å; F397-L401 PolarHBondContact O-N 2.84Å; F397-F434 AromaticContact CE1-CE1 3.81Å; F397-F434 HydrophobicContact CE1-CE1 3.81Å; F397-F434 AromaticContact CE1-CZ 3.78Å; F397-F434 HydrophobicContact CE1-CZ 3.78Å; F397-F434 HydrophobicContact CZ-CE1 4.28Å; F397-F434 HydrophobicContact CZ-CZ 4.1Å; F397-L483 HydrophobicContact CD1-CD1 3.97Å; F397-L483 HydrophobicContact CE1-CD1 4.27Å
398T83.8Confident77.8Confident0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-62.7-44177.9-61.40000111.5L394 M395 S400 L401 K402 E482 L483 V486L394-T398 WeakPolarHBondContact O-CB 3.46Å; L394-T398 PolarHBondContact O-N 2.96Å; L394-T398 PolarHBondContact O-OG1 2.79Å; M395-T398 PolarHBondContact O-N 3.19Å; T398-S400 VanDerWaalsContact C-N 3.26Å; T398-S400 PolarHBondContact O-N 3.44Å; T398-L401 PolarHBondContact O-N 3.18Å; T398-K402 WeakPolarHBondContact O-CG 3.36Å; T398-K402 PolarHBondContact O-N 2.89Å; T398-E482 HydrophobicContact CG2-CB 3.94Å; T398-L483 WeakPolarHBondContact OG1-CD1 3.36Å; T398-V486 HydrophobicContact CG2-CG2 3.86Å
399D82.9Confident78.6Confident69 Ų6934.4 Ų34.437%0.36918%0.182SC..Hα-helixtrans-65.9-31178.1-78.4-10.2000112.7M395 K402 S403M395-D399 WeakPolarHBondContact O-CB 3.43Å; M395-D399 PolarHBondContact O-N 3.09Å; D399-K402 IonicContact OD1-NZ 2.81Å; D399-K402 PolarHBondContact OD1-NZ 3.38Å; D399-S403 PolarHBondContact O-N 2.7Å
400S81Confident79.1Confident2 Ų235.3 Ų35.31%0.01419%0.185CC..Hα-helixtrans-68.9-43.6173.2-58.90000111.5L257 D396 F397 T398 S403L257-S400 WeakPolarHBondContact CD2-OG 3.23Å; D396-S400 WeakPolarHBondContact O-CB 3.46Å; D396-S400 PolarHBondContact O-N 3.07Å; D396-S400 VanDerWaalsContact O-N 3.09Å; D396-S400 PolarHBondContact O-OG 3.28Å; F397-S400 WeakPolarHBondContact O-CB 3.35Å; F397-S400 PolarHBondContact O-N 3.36Å; T398-S400 VanDerWaalsContact C-N 3.26Å; T398-S400 PolarHBondContact O-N 3.44Å; S400-S403 PolarHBondContact O-N 2.68Å; S400-S403 PolarHBondContact O-OG 3.11Å
401L83.4Confident79.4Confident12 Ų1235 Ų356%0.06318%0.184CC..Hα-helixtrans-66.2-34.7173.7-69.3173.5000112.9V261 L346 F397 T398 S403 F404 L483 V486 F487V261-L401 HydrophobicContact CG1-CD2 3.89Å; V261-L401 HydrophobicContact CG2-CD2 4.36Å; L346-L401 HydrophobicContact CD1-CD2 4.18Å; L346-L401 HydrophobicContact CD2-CD2 4.32Å; F397-L401 HydrophobicContact CD1-CD1 3.82Å; F397-L401 HydrophobicContact CE1-CD1 3.44Å; F397-L401 VanDerWaalsContact CE1-CD1 3.44Å; F397-L401 HydrophobicContact CE1-CG 4.25Å; F397-L401 HydrophobicContact CZ-CD1 4.09Å; F397-L401 PolarHBondContact O-N 2.84Å; T398-L401 PolarHBondContact O-N 3.18Å; L401-S403 PolarHBondContact O-N 3.18Å; L401-F404 VanDerWaalsContact O-CB 3.29Å; L401-F404 WeakPolarHBondContact O-CB 3.45Å; L401-F404 PolarHBondContact O-N 3.21Å; L401-L483 HydrophobicContact CD1-CD1 3.92Å; L401-V486 HydrophobicContact CB-CG1 3.63Å; L401-F487 HydrophobicContact CD1-CD2 4.46Å; L401-F487 HydrophobicContact CD1-CE2 3.53Å; L401-F487 HydrophobicContact CD1-CZ 3.79Å
402K82.5Confident79.6Confident88 Ų8838.3 Ų38.338%0.38320%0.202SC..Hα-helixtrans-58-37173.7-76.7174.6-169.21520112.3T398 D399 F404 E482 V486T398-K402 WeakPolarHBondContact O-CG 3.36Å; T398-K402 PolarHBondContact O-N 2.89Å; D399-K402 IonicContact OD1-NZ 2.81Å; D399-K402 PolarHBondContact OD1-NZ 3.38Å; K402-F404 PolarHBondContact O-N 2.88Å; K402-E482 IonicContact NZ-OE2 3.34Å; K402-E482 PolarHBondContact NZ-OE2 3.2Å; K402-V486 HydrophobicContact CB-CG2 4.48Å; K402-V486 HydrophobicContact CD-CG2 4.26Å; K402-V486 HydrophobicContact CG-CG2 3.33Å
403S77Confident79.7Confident62 Ų6240.5 Ų40.543%0.43422%0.22SC..THydrogen-bonded Turntrans-75.9-9.9179.369.70000114K258 D399 S400 L401 Q405K258-S403 WeakPolarHBondContact CD-OG 3.36Å; K258-S403 WeakPolarHBondContact CE-OG 3.36Å; D399-S403 PolarHBondContact O-N 2.7Å; S400-S403 PolarHBondContact O-N 2.68Å; S400-S403 PolarHBondContact O-OG 3.11Å; L401-S403 PolarHBondContact O-N 3.18Å; S403-Q405 PolarHBondContact O-N 3.17Å
404F81.2Confident79.7Confident20 Ų2041 Ų419%0.08822%0.223CC..  trans-85.288.9-175.3-177.2-115.4000112.3V261 I262 W265 F342 L401 K402 P406 F407V261-F404 HydrophobicContact CG1-CB 4.38Å; V261-F404 HydrophobicContact CG1-CD1 4.42Å; V261-F404 HydrophobicContact CG1-CD2 4.07Å; V261-F404 HydrophobicContact CG1-CG 4.05Å; I262-F404 HydrophobicContact CG1-CD2 4.09Å; I262-F404 HydrophobicContact CG1-CE2 4.33Å; W265-F404 HydrophobicContact CB-CE2 3.85Å; W265-F404 HydrophobicContact CB-CZ 3.53Å; W265-F404 HydrophobicContact CD2-CE1 4.4Å; W265-F404 AromaticContact CD2-CZ 3.62Å; W265-F404 HydrophobicContact CD2-CZ 3.62Å; W265-F404 HydrophobicContact CE3-CE1 4.23Å; W265-F404 AromaticContact CE3-CZ 3.87Å; W265-F404 HydrophobicContact CE3-CZ 3.87Å; W265-F404 HydrophobicContact CG-CE2 4.01Å; W265-F404 AromaticContact CG-CZ 3.48Å; W265-F404 HydrophobicContact CG-CZ 3.48Å; W265-F404 VanDerWaalsContact CG-CZ 3.48Å; F342-F404 HydrophobicContact CE1-CE1 4.23Å; F342-F404 HydrophobicContact CE2-CE1 4.32Å; F342-F404 HydrophobicContact CE2-CZ 4.33Å; F342-F404 HydrophobicContact CZ-CD1 4.34Å; F342-F404 AromaticContact CZ-CE1 3.63Å; F342-F404 HydrophobicContact CZ-CE1 3.63Å; F342-F404 HydrophobicContact CZ-CZ 4.08Å; L401-F404 VanDerWaalsContact O-CB 3.29Å; L401-F404 WeakPolarHBondContact O-CB 3.45Å; L401-F404 PolarHBondContact O-N 3.21Å; K402-F404 PolarHBondContact O-N 2.88Å; F404-P406 VanDerWaalsContact C-CD 3.45Å; F404-P406 HydrophobicContact CD2-CG 4.03Å; F404-P406 HydrophobicContact CE2-CB 3.87Å; F404-P406 HydrophobicContact CE2-CG 3.62Å; F404-P406 HydrophobicContact CZ-CB 3.91Å; F404-P406 HydrophobicContact CZ-CG 4.19Å; F404-F407 HydrophobicContact CD1-CB 3.93Å; F404-F407 HydrophobicContact CE1-CB 3.42Å; F404-F407 VanDerWaalsContact CE1-CB 3.42Å; F404-F407 HydrophobicContact CZ-CB 4.3Å
405Q79.7Confident79.4Confident102 Ų10248.2 Ų48.248%0.47726%0.261SS..Hα-helixtrans-74-28.6178.1-66-64.3-48.100116.9S403 F407 Q408 T409S403-Q405 PolarHBondContact O-N 3.17Å; Q405-F407 VanDerWaalsContact C-N 3.34Å; Q405-F407 PolarHBondContact O-N 2.73Å; Q405-Q408 PolarHBondContact O-N 3.12Å; Q405-T409 PolarHBondContact O-N 2.9Å; Q405-T409 PolarHBondContact O-OG1 2.79Å
406P80.1Confident79.1Confident52 Ų5248.6 Ų48.634%0.33826%0.264SS..Hα-helixtrans-54.2-43.5-175.1-30.136000114.5F404 T409 F410F404-P406 VanDerWaalsContact C-CD 3.45Å; F404-P406 HydrophobicContact CD2-CG 4.03Å; F404-P406 HydrophobicContact CE2-CB 3.87Å; F404-P406 HydrophobicContact CE2-CG 3.62Å; F404-P406 HydrophobicContact CZ-CB 3.91Å; F404-P406 HydrophobicContact CZ-CG 4.19Å; P406-T409 PolarHBondContact O-N 3.38Å; P406-F410 WeakPolarHBondContact O-CB 3.5Å; P406-F410 PolarHBondContact O-N 3.05Å
407F77.6Confident78.8Confident13 Ų1348.5 Ų48.56%0.05726%0.262CS..Hα-helixtrans-66.8-41.1-179.5-178.3-113.5000112.9W265 I339 Y343 F404 Q405 T409 F410 T411 P490 F491W265-F407 HydrophobicContact CH2-CB 4.46Å; W265-F407 AromaticContact CH2-CD2 3.79Å; W265-F407 HydrophobicContact CH2-CD2 3.79Å; W265-F407 HydrophobicContact CZ3-CB 4.31Å; W265-F407 AromaticContact CZ3-CD2 3.6Å; W265-F407 HydrophobicContact CZ3-CD2 3.6Å; W265-F407 HydrophobicContact CZ3-CE2 4.42Å; W265-F407 HydrophobicContact CZ3-CG 4.41Å; I339-F407 HydrophobicContact CD1-CE2 4.18Å; I339-F407 HydrophobicContact CG1-CE2 4.43Å; I339-F407 HydrophobicContact CG2-CE2 4.18Å; Y343-F407 WeakPolarHBondContact OH-CE1 3.46Å; Y343-F407 WeakPolarHBondContact OH-CZ 3.36Å; F404-F407 HydrophobicContact CD1-CB 3.93Å; F404-F407 HydrophobicContact CE1-CB 3.42Å; F404-F407 VanDerWaalsContact CE1-CB 3.42Å; F404-F407 HydrophobicContact CZ-CB 4.3Å; Q405-F407 VanDerWaalsContact C-N 3.34Å; Q405-F407 PolarHBondContact O-N 2.73Å; F407-T409 VanDerWaalsContact C-N 3.3Å; F407-T409 PolarHBondContact O-N 2.61Å; F407-F410 WeakPolarHBondContact O-CB 3.31Å; F407-F410 PolarHBondContact O-N 3.31Å; F407-T411 HydrophobicContact CD2-CG2 4.47Å; F407-T411 HydrophobicContact CE1-CG2 4.11Å; F407-T411 HydrophobicContact CE2-CG2 4.09Å; F407-T411 HydrophobicContact CZ-CG2 3.88Å; F407-T411 WeakPolarHBondContact O-CG2 3.39Å; F407-T411 PolarHBondContact O-N 3.27Å; F407-T411 PolarHBondContact O-OG1 2.84Å; F407-P490 HydrophobicContact CD1-CB 3.91Å; F407-P490 HydrophobicContact CD1-CG 3.49Å; F407-P490 VanDerWaalsContact CD1-CG 3.49Å; F407-P490 HydrophobicContact CE1-CB 3.72Å; F407-P490 HydrophobicContact CE1-CG 3.57Å; F407-F491 HydrophobicContact CE1-CE2 4.18Å; F407-F491 HydrophobicContact CE1-CZ 4.3Å; F407-F491 HydrophobicContact CZ-CE2 4.3Å; F407-F491 AromaticContact CZ-CZ 3.98Å; F407-F491 HydrophobicContact CZ-CZ 3.98Å
408Q77Confident78.3Confident44 Ų4451.2 Ų51.221%0.20628%0.275CS..Hα-helixtrans-64.1-37.9174.7-174-177.6-13.100111.8Q405 F410 T411 N412 H489Q405-Q408 PolarHBondContact O-N 3.12Å; Q408-F410 VanDerWaalsContact C-N 3.32Å; Q408-T411 PolarHBondContact O-OG1 3.47Å; Q408-T411 VanDerWaalsContact O-OG1 3.1Å; Q408-N412 WeakPolarHBondContact O-CB 3.36Å; Q408-N412 PolarHBondContact O-N 3.36Å; Q408-N412 PolarHBondContact O-ND2 3.23Å; Q408-H489 VanDerWaalsContact CD-ND1 3.26Å; Q408-H489 PolarHBondContact NE2-CE1 2.85Å; Q408-H489 PolarHBondContact NE2-ND1 3.25Å; Q408-H489 PolarHBondContact OE1-CE1 3.15Å; Q408-H489 PolarHBondContact OE1-ND1 3.22Å
409T77Confident77.8Confident91 Ų9151.9 Ų51.956%0.55828%0.279SS*.Hα-helixtrans-66.8-39177.3-48.30000110.5Q405 P406 F407 S413Q405-T409 PolarHBondContact O-N 2.9Å; Q405-T409 PolarHBondContact O-OG1 2.79Å; P406-T409 PolarHBondContact O-N 3.38Å; F407-T409 VanDerWaalsContact C-N 3.3Å; F407-T409 PolarHBondContact O-N 2.61Å; T409-S413 PolarHBondContact O-N 3.12Å
410F79.5Confident77.6Confident45 Ų4548.8 Ų48.820%0.19726%0.262CS..Hα-helixtrans-63.9-50.4175173.9-94.1000112.2W265 M335 I339 P406 F407 Q408 N412 S413 I414 L423W265-F410 HydrophobicContact CH2-CB 4.26Å; W265-F410 HydrophobicContact CH2-CD1 4.29Å; W265-F410 HydrophobicContact CH2-CG 4.16Å; W265-F410 HydrophobicContact CZ2-CB 4.22Å; W265-F410 HydrophobicContact CZ2-CG 4.37Å; M335-F410 HydrophobicContact SD-CZ 4.4Å; I339-F410 HydrophobicContact CD1-CD1 4.07Å; I339-F410 HydrophobicContact CD1-CE1 3.35Å; I339-F410 HydrophobicContact CD1-CZ 3.96Å; P406-F410 WeakPolarHBondContact O-CB 3.5Å; P406-F410 PolarHBondContact O-N 3.05Å; F407-F410 WeakPolarHBondContact O-CB 3.31Å; F407-F410 PolarHBondContact O-N 3.31Å; Q408-F410 VanDerWaalsContact C-N 3.32Å; F410-N412 VanDerWaalsContact C-N 3.32Å; F410-N412 PolarHBondContact O-N 2.83Å; F410-S413 WeakPolarHBondContact O-CB 3.23Å; F410-S413 PolarHBondContact O-N 3.48Å; F410-S413 PolarHBondContact O-OG 3.49Å; F410-I414 HydrophobicContact CD1-CD1 4.11Å; F410-I414 HydrophobicContact CE1-CD1 3.43Å; F410-I414 VanDerWaalsContact CE1-CD1 3.43Å; F410-I414 HydrophobicContact CE1-CG1 4.44Å; F410-I414 HydrophobicContact CZ-CD1 3.76Å; F410-L423 HydrophobicContact CE1-CD1 3.97Å
411T75.7Confident77.2Confident4 Ų448.7 Ų48.73%0.02526%0.261CS..Hα-helixtrans-63.2-38.2179.359.30000112.3F407 Q408 S413 I414 I420 P490 F491F407-T411 HydrophobicContact CD2-CG2 4.47Å; F407-T411 HydrophobicContact CE1-CG2 4.11Å; F407-T411 HydrophobicContact CE2-CG2 4.09Å; F407-T411 HydrophobicContact CZ-CG2 3.88Å; F407-T411 WeakPolarHBondContact O-CG2 3.39Å; F407-T411 PolarHBondContact O-N 3.27Å; F407-T411 PolarHBondContact O-OG1 2.84Å; Q408-T411 PolarHBondContact O-OG1 3.47Å; Q408-T411 VanDerWaalsContact O-OG1 3.1Å; T411-S413 PolarHBondContact O-N 3.39Å; T411-I414 PolarHBondContact O-N 3.34Å; T411-I414 VanDerWaalsContact O-N 3.08Å; T411-I420 HydrophobicContact CG2-CD1 3.82Å; T411-P490 WeakPolarHBondContact CB-O 3.27Å; T411-P490 HydrophobicContact CG2-CB 3.67Å; T411-P490 VanDerWaalsContact OG1-CB 3.26Å; T411-P490 WeakPolarHBondContact OG1-CB 3.48Å; T411-P490 PolarHBondContact OG1-O 2.91Å; T411-F491 HydrophobicContact CG2-CE1 4.5Å
412N77.3Confident76.8Confident83 Ų8349.1 Ų49.144%0.44427%0.265SS..Hα-helixtrans-63.7-21.9175.2-74.5-19.4000113.5Q408 F410 N493Q408-N412 WeakPolarHBondContact O-CB 3.36Å; Q408-N412 PolarHBondContact O-N 3.36Å; Q408-N412 PolarHBondContact O-ND2 3.23Å; F410-N412 VanDerWaalsContact C-N 3.32Å; F410-N412 PolarHBondContact O-N 2.83Å; N412-N493 PolarHBondContact OD1-ND2 3.34Å
413S77.6Confident76.6Confident80 Ų8045 Ų4556%0.55925%0.247SC*.Hα-helixtrans-79.9-17.4175.578.30000113.4T409 F410 T411 L415T409-S413 PolarHBondContact O-N 3.12Å; F410-S413 WeakPolarHBondContact O-CB 3.23Å; F410-S413 PolarHBondContact O-N 3.48Å; F410-S413 PolarHBondContact O-OG 3.49Å; T411-S413 PolarHBondContact O-N 3.39Å; S413-L415 PolarHBondContact O-N 2.85Å
414I76.5Confident76.8Confident16 Ų1642.7 Ų42.78%0.08223%0.229CC..  trans-84.7112.5-177.6-63.7170.3000109.6F410 T411 N416 L419 I420 L423 L497F410-I414 HydrophobicContact CD1-CD1 4.11Å; F410-I414 HydrophobicContact CE1-CD1 3.43Å; F410-I414 VanDerWaalsContact CE1-CD1 3.43Å; F410-I414 HydrophobicContact CE1-CG1 4.44Å; F410-I414 HydrophobicContact CZ-CD1 3.76Å; T411-I414 PolarHBondContact O-N 3.34Å; T411-I414 VanDerWaalsContact O-N 3.08Å; I414-N416 HydrophobicContact CG2-CB 4.4Å; I414-N416 WeakPolarHBondContact CG2-O 3.45Å; I414-L419 HydrophobicContact CD1-CD2 3.87Å; I414-L419 HydrophobicContact CD1-CG 4.19Å; I414-L419 HydrophobicContact CG1-CD2 4.16Å; I414-L419 HydrophobicContact CG2-CB 4.03Å; I414-L419 HydrophobicContact CG2-CD2 3.92Å; I414-L419 HydrophobicContact CG2-CG 4.17Å; I414-I420 HydrophobicContact CG2-CB 4.15Å; I414-L423 HydrophobicContact CD1-CD1 3.63Å; I414-L497 WeakPolarHBondContact O-CD1 3.28Å
415L74.5Confident76.6Confident151 Ų15143.4 Ų43.479%0.79123%0.232SC*.  trans-90.1-12.1174-69.7164.3000113.2S413 Y417 L497S413-L415 PolarHBondContact O-N 2.85Å; L415-Y417 PolarHBondContact O-N 2.91Å; L415-L497 HydrophobicContact CD2-CD2 4.4Å
416N73.6Confident76.5Confident67 Ų6738.6 Ų38.636%0.35821%0.209SC..  trans-84.8111.4-179.7-173.7-12.9000110.6I414 Q418 L419 I420I414-N416 HydrophobicContact CG2-CB 4.4Å; I414-N416 WeakPolarHBondContact CG2-O 3.45Å; N416-Q418 PolarHBondContact O-N 3.49Å; N416-Q418 WeakPolarHBondContact OD1-CB 3.19Å; N416-Q418 PolarHBondContact OD1-N 3.35Å; N416-L419 HydrophobicContact CB-CB 4.23Å; N416-L419 PolarHBondContact O-N 2.89Å; N416-I420 PolarHBondContact O-N 3.32Å; N416-I420 VanDerWaalsContact O-N 3.09Å
417Y74.1Confident76.6Confident18 Ų1836.2 Ų36.27%0.07119%0.193CC..Hα-helixtrans-59.4-31.2179.291.5-88.9000112.8L415 I420 G421 F498 Y501L415-Y417 PolarHBondContact O-N 2.91Å; Y417-I420 WeakPolarHBondContact O-CG2 3.44Å; Y417-G421 PolarHBondContact O-N 3.12Å; Y417-F498 AromaticContact CD2-CD2 3.61Å; Y417-F498 HydrophobicContact CD2-CD2 3.61Å; Y417-F498 HydrophobicContact CD2-CE2 4.26Å; Y417-F498 AromaticContact CE2-CD2 3.77Å; Y417-F498 HydrophobicContact CE2-CD2 3.77Å; Y417-F498 AromaticContact CE2-CE2 3.93Å; Y417-F498 HydrophobicContact CE2-CE2 3.93Å; Y417-F498 HydrophobicContact CG-CD2 4.3Å; Y417-Y501 AromaticContact CD1-CD1 3.9Å; Y417-Y501 HydrophobicContact CD1-CD1 3.9Å; Y417-Y501 AromaticContact CD1-CD2 3.79Å; Y417-Y501 HydrophobicContact CD1-CD2 3.79Å; Y417-Y501 HydrophobicContact CD1-CE2 4.4Å; Y417-Y501 AromaticContact CD1-CG 3.5Å; Y417-Y501 HydrophobicContact CD1-CG 3.5Å; Y417-Y501 VanDerWaalsContact CD1-CG 3.5Å; Y417-Y501 AromaticContact CE1-CD1 3.31Å; Y417-Y501 HydrophobicContact CE1-CD1 3.31Å; Y417-Y501 AromaticContact CE1-CD2 3.49Å; Y417-Y501 HydrophobicContact CE1-CD2 3.49Å; Y417-Y501 VanDerWaalsContact CE1-CD2 3.49Å; Y417-Y501 AromaticContact CE1-CE1 3.52Å; Y417-Y501 HydrophobicContact CE1-CE1 3.52Å; Y417-Y501 AromaticContact CE1-CE2 3.67Å; Y417-Y501 HydrophobicContact CE1-CE2 3.67Å; Y417-Y501 AromaticContact CE1-CG 3.29Å; Y417-Y501 HydrophobicContact CE1-CG 3.29Å; Y417-Y501 AromaticContact CE1-CZ 3.67Å; Y417-Y501 AromaticContact CZ-CD1 3.76Å; Y417-Y501 AromaticContact CZ-CE1 3.75Å; Y417-Y501 WeakPolarHBondContact OH-CE1 3.42Å
418Q72.7Confident76.8Confident56 Ų5636.2 Ų36.226%0.26220%0.195SC..Hα-helixtrans-69-43.7-179.1-63.7-177.9-16.700110.5N416 C422N416-Q418 PolarHBondContact O-N 3.49Å; N416-Q418 WeakPolarHBondContact OD1-CB 3.19Å; N416-Q418 PolarHBondContact OD1-N 3.35Å; Q418-C422 WeakPolarHBondContact O-CB 3.43Å; Q418-C422 PolarHBondContact O-N 3.23Å; Q418-C422 PolarHBondContact O-SG 3.35Å
419L73.5Confident76.8Confident15 Ų1534.1 Ų34.18%0.07919%0.185CC..Hα-helixtrans-65.2-47.9177.5-177.562000110.1N332 V336 I414 N416 G421 C422 L423N332-L419 HydrophobicContact CB-CD1 4.38Å; V336-L419 HydrophobicContact CG2-CD1 3.52Å; I414-L419 HydrophobicContact CD1-CD2 3.87Å; I414-L419 HydrophobicContact CD1-CG 4.19Å; I414-L419 HydrophobicContact CG1-CD2 4.16Å; I414-L419 HydrophobicContact CG2-CB 4.03Å; I414-L419 HydrophobicContact CG2-CD2 3.92Å; I414-L419 HydrophobicContact CG2-CG 4.17Å; N416-L419 HydrophobicContact CB-CB 4.23Å; N416-L419 PolarHBondContact O-N 2.89Å; L419-G421 VanDerWaalsContact C-N 3.34Å; L419-G421 PolarHBondContact O-N 3.13Å; L419-C422 WeakPolarHBondContact O-CB 3.49Å; L419-C422 PolarHBondContact O-N 3.35Å; L419-L423 VanDerWaalsContact O-CG 3.32Å; L419-L423 WeakPolarHBondContact O-CG 3.39Å; L419-L423 PolarHBondContact O-N 2.82Å
420I77.4Confident77.1Confident4 Ų429.8 Ų29.82%0.02116%0.158CC..Hα-helixtrans-66.6-34.3-179.9-164.266.3000112.3T411 I414 N416 Y417 L423 F424 F491 L494 L497T411-I420 HydrophobicContact CG2-CD1 3.82Å; I414-I420 HydrophobicContact CG2-CB 4.15Å; N416-I420 PolarHBondContact O-N 3.32Å; N416-I420 VanDerWaalsContact O-N 3.09Å; Y417-I420 WeakPolarHBondContact O-CG2 3.44Å; I420-L423 HydrophobicContact CD1-CD1 4.45Å; I420-L423 PolarHBondContact O-N 3.48Å; I420-F424 WeakPolarHBondContact O-CB 3.26Å; I420-F424 PolarHBondContact O-N 3.13Å; I420-F491 HydrophobicContact CD1-CD1 3.77Å; I420-F491 HydrophobicContact CD1-CE1 3.72Å; I420-F491 HydrophobicContact CG1-CD1 3.9Å; I420-F491 HydrophobicContact CG1-CE1 4.21Å; I420-L494 HydrophobicContact CB-CD1 4.45Å; I420-L494 HydrophobicContact CG2-CD1 3.48Å; I420-L494 VanDerWaalsContact CG2-CD1 3.48Å; I420-L497 HydrophobicContact CG2-CD1 3.88Å
421G73.9Confident77.3Confident0 Ų027.7 Ų27.70%015%0.149CC..Hα-helixtrans-70.2-36.2172.800000113.3Y417 L419 F424 R425Y417-G421 PolarHBondContact O-N 3.12Å; L419-G421 VanDerWaalsContact C-N 3.34Å; L419-G421 PolarHBondContact O-N 3.13Å; G421-F424 PolarHBondContact O-N 2.85Å; G421-R425 PolarHBondContact O-N 3.49Å; G421-R425 VanDerWaalsContact O-N 3.09Å; G421-R425 PolarHBondContact O-NE 2.88Å; G421-R425 VanDerWaalsContact O-NE 3.13Å
422C73.5Confident77.6Confident21 Ų2128.5 Ų28.514%0.14215%0.153CC..Hα-helixtrans-59.7-49.1169.1-70.80000110.7I305 Q418 L419 F424 R425 V426I305-C422 HydrophobicContact CD1-CB 4.1Å; I305-C422 WeakPolarHBondContact CD1-SG 3.44Å; Q418-C422 WeakPolarHBondContact O-CB 3.43Å; Q418-C422 PolarHBondContact O-N 3.23Å; Q418-C422 PolarHBondContact O-SG 3.35Å; L419-C422 WeakPolarHBondContact O-CB 3.49Å; L419-C422 PolarHBondContact O-N 3.35Å; C422-F424 VanDerWaalsContact C-N 3.33Å; C422-F424 PolarHBondContact O-N 2.76Å; C422-R425 PolarHBondContact O-N 3.25Å; C422-V426 WeakPolarHBondContact O-CG2 3.49Å; C422-V426 PolarHBondContact O-N 3.48Å
423L79.5Confident77.8Confident1 Ų125.8 Ų25.81%0.00514%0.136CC..Hα-helixtrans-60.5-43.3178-66.7178.9000111.5V336 I339 F410 I414 L419 I420 R425 V426 T427 F491V336-L423 HydrophobicContact CG2-CD2 4.09Å; I339-L423 HydrophobicContact CB-CD2 4.07Å; I339-L423 HydrophobicContact CD1-CD1 3.76Å; I339-L423 HydrophobicContact CD1-CD2 3.41Å; I339-L423 VanDerWaalsContact CD1-CD2 3.41Å; I339-L423 HydrophobicContact CD1-CG 4.22Å; I339-L423 HydrophobicContact CG1-CD2 4.32Å; I339-L423 HydrophobicContact CG2-CD2 4.05Å; F410-L423 HydrophobicContact CE1-CD1 3.97Å; I414-L423 HydrophobicContact CD1-CD1 3.63Å; L419-L423 VanDerWaalsContact O-CG 3.32Å; L419-L423 WeakPolarHBondContact O-CG 3.39Å; L419-L423 PolarHBondContact O-N 2.82Å; I420-L423 HydrophobicContact CD1-CD1 4.45Å; I420-L423 PolarHBondContact O-N 3.48Å; L423-R425 VanDerWaalsContact C-N 3.35Å; L423-R425 PolarHBondContact O-N 3.42Å; L423-V426 PolarHBondContact O-N 3.18Å; L423-T427 PolarHBondContact O-N 3.41Å; L423-T427 PolarHBondContact O-OG1 3.39Å; L423-F491 HydrophobicContact CB-CE1 3.76Å; L423-F491 HydrophobicContact CB-CZ 4.07Å
424F81.2Confident78Confident13 Ų1322 Ų226%0.05711%0.11CC..Hα-helixtrans-57.2-45.3176.3176.7-113.3000112.2I420 G421 C422 V426 T427 V428 F491 L494 V677 L678 L681I420-F424 WeakPolarHBondContact O-CB 3.26Å; I420-F424 PolarHBondContact O-N 3.13Å; G421-F424 PolarHBondContact O-N 2.85Å; C422-F424 VanDerWaalsContact C-N 3.33Å; C422-F424 PolarHBondContact O-N 2.76Å; F424-V426 PolarHBondContact O-N 2.88Å; F424-T427 WeakPolarHBondContact O-CB 3.27Å; F424-T427 PolarHBondContact O-N 2.96Å; F424-T427 VanDerWaalsContact O-N 3.16Å; F424-V428 HydrophobicContact CE1-CG2 4.09Å; F424-V428 HydrophobicContact CE2-CG2 4.03Å; F424-V428 HydrophobicContact CZ-CG2 3.81Å; F424-V428 WeakPolarHBondContact O-CG2 3.32Å; F424-V428 PolarHBondContact O-N 3.4Å; F424-F491 HydrophobicContact CB-CD1 3.69Å; F424-F491 HydrophobicContact CB-CE1 3.86Å; F424-F491 HydrophobicContact CB-CG 4.17Å; F424-F491 HydrophobicContact CB-CZ 4.45Å; F424-F491 HydrophobicContact CD2-CB 3.98Å; F424-F491 HydrophobicContact CD2-CD1 4.2Å; F424-F491 HydrophobicContact CD2-CD2 4Å; F424-F491 AromaticContact CD2-CG 3.79Å; F424-F491 HydrophobicContact CD2-CG 3.79Å; F424-F491 HydrophobicContact CG-CD1 4.4Å; F424-F491 HydrophobicContact CG-CG 4.42Å; F424-F491 VanDerWaalsContact N-CE1 3.29Å; F424-L494 HydrophobicContact CB-CD2 4.14Å; F424-L494 HydrophobicContact CD1-CD2 3.9Å; F424-L494 HydrophobicContact CG-CD2 3.95Å; F424-V677 HydrophobicContact CE2-CG1 3.77Å; F424-V677 HydrophobicContact CZ-CG1 3.71Å; F424-L678 HydrophobicContact CZ-CD2 4.45Å; F424-L681 HydrophobicContact CE1-CD1 4.44Å; F424-L681 HydrophobicContact CE2-CD1 3.48Å; F424-L681 VanDerWaalsContact CE2-CD1 3.48Å; F424-L681 HydrophobicContact CZ-CD1 3.41Å; F424-L681 VanDerWaalsContact CZ-CD1 3.41Å
425R75.9Confident78.2Confident36 Ų3621.7 Ų21.714%0.13611%0.108CC..Hα-helixtrans-63.7-40.4176.2-80.2173.4-76.8-133.9-2.6113I305 G421 C422 L423 T427 V428 G429 E551I305-R425 VanDerWaalsContact CG1-NE 3.34Å; I305-R425 VanDerWaalsContact CG2-NH2 3.26Å; G421-R425 PolarHBondContact O-N 3.49Å; G421-R425 VanDerWaalsContact O-N 3.09Å; G421-R425 PolarHBondContact O-NE 2.88Å; G421-R425 VanDerWaalsContact O-NE 3.13Å; C422-R425 PolarHBondContact O-N 3.25Å; L423-R425 VanDerWaalsContact C-N 3.35Å; L423-R425 PolarHBondContact O-N 3.42Å; R425-T427 VanDerWaalsContact C-N 3.29Å; R425-T427 PolarHBondContact O-N 3.32Å; R425-V428 PolarHBondContact O-N 3.09Å; R425-G429 PolarHBondContact O-N 3.06Å; R425-E551 IonicContact CZ-OE1 3.49Å; R425-E551 IonicContact CZ-OE2 2.98Å; R425-E551 IonicContact NH1-OE1 2.75Å; R425-E551 PolarHBondContact NH1-OE1 3.43Å; R425-E551 IonicContact NH1-OE2 3.73Å; R425-E551 PolarHBondContact NH1-OE2 2.96Å; R425-E551 VanDerWaalsContact NH1-OE2 3.12Å; R425-E551 IonicContact NH2-OE1 2.93Å; R425-E551 PolarHBondContact NH2-OE1 3.38Å; R425-E551 IonicContact NH2-OE2 3.52Å; R425-E551 PolarHBondContact NH2-OE2 3.01Å
426V79.2Confident78.4Confident0 Ų017.3 Ų17.30%08%0.083CC..Hα-helixtrans-62.1-40.5173.3175.70000110.2I340 Y343 C422 L423 F424 G429 C430I340-V426 HydrophobicContact CD1-CG2 4.43Å; I340-V426 HydrophobicContact CG1-CG1 3.7Å; I340-V426 HydrophobicContact CG1-CG2 4.22Å; Y343-V426 HydrophobicContact CD2-CG1 3.76Å; Y343-V426 HydrophobicContact CE2-CG1 4.1Å; C422-V426 WeakPolarHBondContact O-CG2 3.49Å; C422-V426 PolarHBondContact O-N 3.48Å; L423-V426 PolarHBondContact O-N 3.18Å; F424-V426 PolarHBondContact O-N 2.88Å; V426-G429 PolarHBondContact O-N 3.3Å; V426-C430 WeakPolarHBondContact O-CB 3.36Å; V426-C430 PolarHBondContact O-N 2.75Å
427T82.5Confident78.6Confident2 Ų214.9 Ų14.91%0.0127%0.07CC..Hα-helixtrans-63.8-41.6175.3-54.40000112.6Y343 L423 F424 R425 G429 C430 L431 F487 F491Y343-T427 PolarHBondContact OH-OG1 3.14Å; L423-T427 PolarHBondContact O-N 3.41Å; L423-T427 PolarHBondContact O-OG1 3.39Å; F424-T427 WeakPolarHBondContact O-CB 3.27Å; F424-T427 PolarHBondContact O-N 2.96Å; F424-T427 VanDerWaalsContact O-N 3.16Å; R425-T427 VanDerWaalsContact C-N 3.29Å; R425-T427 PolarHBondContact O-N 3.32Å; T427-G429 VanDerWaalsContact C-N 3.32Å; T427-G429 PolarHBondContact O-N 3.21Å; T427-C430 VanDerWaalsContact O-CB 3.32Å; T427-C430 WeakPolarHBondContact O-CB 3.29Å; T427-C430 PolarHBondContact O-N 3.28Å; T427-L431 PolarHBondContact O-N 3.19Å; T427-F487 HydrophobicContact CG2-CB 3.75Å; T427-F487 HydrophobicContact CG2-CD1 3.82Å; T427-F487 HydrophobicContact CG2-CG 4.23Å; T427-F491 HydrophobicContact CG2-CE2 3.94Å; T427-F491 VanDerWaalsContact OG1-CE2 3.24Å; T427-F491 WeakPolarHBondContact OG1-CE2 3.36Å; T427-F491 WeakPolarHBondContact OG1-CZ 3.33Å
428V79.9Confident78.9Confident14 Ų1414 Ų149%0.0857%0.067CC..Hα-helixtrans-60.9-43.6173.2173.60000110.6F424 R425 C430 L431 Q432 S674 V677F424-V428 HydrophobicContact CE1-CG2 4.09Å; F424-V428 HydrophobicContact CE2-CG2 4.03Å; F424-V428 HydrophobicContact CZ-CG2 3.81Å; F424-V428 WeakPolarHBondContact O-CG2 3.32Å; F424-V428 PolarHBondContact O-N 3.4Å; R425-V428 PolarHBondContact O-N 3.09Å; V428-C430 VanDerWaalsContact C-N 3.3Å; V428-C430 PolarHBondContact O-N 3.05Å; V428-L431 PolarHBondContact O-N 2.84Å; V428-Q432 PolarHBondContact O-N 3.39Å; V428-S674 WeakPolarHBondContact CG1-OG 3.22Å; V428-V677 HydrophobicContact CG2-CG1 4.05Å
429G78.2Confident79Confident0 Ų012.6 Ų12.60%06%0.061CC..Hα-helixtrans-60.9-37.417400000113.1R425 V426 T427 Q432 Y433R425-G429 PolarHBondContact O-N 3.06Å; V426-G429 PolarHBondContact O-N 3.3Å; T427-G429 VanDerWaalsContact C-N 3.32Å; T427-G429 PolarHBondContact O-N 3.21Å; G429-Q432 PolarHBondContact O-N 3.45Å; G429-Y433 WeakPolarHBondContact O-CD2 3.31Å; G429-Y433 PolarHBondContact O-N 3.35Å; G429-Y433 VanDerWaalsContact O-N 3.16Å
430C83.8Confident79Confident0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-64.1-46.3173.9-176.50000111.8L298 Y343 V426 T427 V428 Q432 Y433 F434L298-C430 HydrophobicContact CD2-CB 4.26Å; Y343-C430 HydrophobicContact CD1-CB 4.38Å; Y343-C430 HydrophobicContact CD2-CB 4.27Å; Y343-C430 HydrophobicContact CG-CB 4.06Å; V426-C430 WeakPolarHBondContact O-CB 3.36Å; V426-C430 PolarHBondContact O-N 2.75Å; T427-C430 VanDerWaalsContact O-CB 3.32Å; T427-C430 WeakPolarHBondContact O-CB 3.29Å; T427-C430 PolarHBondContact O-N 3.28Å; V428-C430 VanDerWaalsContact C-N 3.3Å; V428-C430 PolarHBondContact O-N 3.05Å; C430-Q432 VanDerWaalsContact C-N 3.34Å; C430-Q432 PolarHBondContact O-N 2.9Å; C430-Y433 VanDerWaalsContact O-CB 3.29Å; C430-Y433 WeakPolarHBondContact O-CB 3.44Å; C430-Y433 PolarHBondContact O-N 2.93Å; C430-Y433 VanDerWaalsContact O-N 3.1Å; C430-F434 VanDerWaalsContact O-CD2 3.29Å; C430-F434 WeakPolarHBondContact O-CD2 3.2Å; C430-F434 PolarHBondContact O-N 2.99Å; C430-F434 VanDerWaalsContact O-N 3.08Å
431L83.4Confident78.7Confident0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-62.9-38.9176.1-73.9171.7000112.4T427 V428 Y433 F434 E435 L483 I484 F487 I673 V677T427-L431 PolarHBondContact O-N 3.19Å; V428-L431 PolarHBondContact O-N 2.84Å; L431-Y433 PolarHBondContact O-N 3.33Å; L431-F434 PolarHBondContact O-N 3.3Å; L431-F434 VanDerWaalsContact O-N 3.16Å; L431-E435 PolarHBondContact O-N 3.36Å; L431-L483 HydrophobicContact CD2-CD2 4.47Å; L431-I484 HydrophobicContact CD1-CG1 4.34Å; L431-I484 HydrophobicContact CD1-CG2 4.41Å; L431-I484 HydrophobicContact CD2-CG1 4.11Å; L431-F487 HydrophobicContact CD1-CB 4.07Å; L431-F487 HydrophobicContact CD2-CB 4.07Å; L431-F487 HydrophobicContact CD2-CD2 3.75Å; L431-F487 HydrophobicContact CD2-CE2 4.38Å; L431-F487 HydrophobicContact CD2-CG 3.98Å; L431-F487 HydrophobicContact CG-CB 4.23Å; L431-F487 HydrophobicContact CG-CG 4.37Å; L431-I673 HydrophobicContact CB-CD1 4.15Å; L431-I673 WeakPolarHBondContact O-CD1 3.47Å; L431-V677 HydrophobicContact CD1-CG2 3.6Å
432Q81.2Confident78.6Confident22 Ų2217.8 Ų17.810%0.1039%0.086CC..Hα-helixtrans-61.3-34.8174.2-173.2175.5-2000112Y301 V428 G429 C430 E435 E436 P671 I673Y301-Q432 VanDerWaalsContact OH-CD 3.22Å; Y301-Q432 PolarHBondContact OH-NE2 2.79Å; Y301-Q432 PolarHBondContact OH-OE1 2.92Å; V428-Q432 PolarHBondContact O-N 3.39Å; G429-Q432 PolarHBondContact O-N 3.45Å; C430-Q432 VanDerWaalsContact C-N 3.34Å; C430-Q432 PolarHBondContact O-N 2.9Å; Q432-E435 WeakPolarHBondContact O-CB 3.48Å; Q432-E435 PolarHBondContact O-N 3.34Å; Q432-E436 WeakPolarHBondContact O-CG 3.27Å; Q432-E436 PolarHBondContact O-N 3.15Å; Q432-P671 VanDerWaalsContact OE1-CG 3.28Å; Q432-I673 HydrophobicContact CB-CG2 4.01Å; Q432-I673 HydrophobicContact CG-CG2 4.5Å
433Y80.9Confident78.4Confident26 Ų2618 Ų1810%0.1029%0.088CC..Hα-helixtrans-67.2-43.1172.6-98.2-69.9000112.9I294 K297 L298 I347 G429 C430 L431 E435 E436 L437I294-Y433 HydrophobicContact CG1-CE1 4.48Å; I294-Y433 HydrophobicContact CG2-CE2 4.3Å; K297-Y433 HydrophobicContact CB-CE2 3.8Å; K297-Y433 WeakPolarHBondContact CB-OH 3.24Å; K297-Y433 HydrophobicContact CD-CD2 4.44Å; K297-Y433 HydrophobicContact CD-CE1 3.95Å; K297-Y433 HydrophobicContact CD-CE2 3.45Å; K297-Y433 VanDerWaalsContact CD-CE2 3.45Å; K297-Y433 WeakPolarHBondContact CD-OH 3.13Å; K297-Y433 HydrophobicContact CG-CE2 3.99Å; L298-Y433 HydrophobicContact CD2-CD2 4.07Å; L298-Y433 HydrophobicContact CD2-CE2 4.26Å; L298-Y433 HydrophobicContact CG-CE2 4.29Å; I347-Y433 HydrophobicContact CD1-CD2 4.12Å; I347-Y433 HydrophobicContact CD1-CG 4.09Å; G429-Y433 WeakPolarHBondContact O-CD2 3.31Å; G429-Y433 PolarHBondContact O-N 3.35Å; G429-Y433 VanDerWaalsContact O-N 3.16Å; C430-Y433 VanDerWaalsContact O-CB 3.29Å; C430-Y433 WeakPolarHBondContact O-CB 3.44Å; C430-Y433 PolarHBondContact O-N 2.93Å; C430-Y433 VanDerWaalsContact O-N 3.1Å; L431-Y433 PolarHBondContact O-N 3.33Å; Y433-E435 VanDerWaalsContact C-N 3.27Å; Y433-E435 PolarHBondContact O-N 3.21Å; Y433-E436 PolarHBondContact O-N 3.11Å; Y433-L437 WeakPolarHBondContact O-CG 3.49Å; Y433-L437 PolarHBondContact O-N 3.05Å
434F82.2Confident77.7Confident0 Ų022.3 Ų22.30%011%0.108CC..Hα-helixtrans-59.9-39.7173.3-79.3-76.1000111.4I347 F350 F397 C430 L431 L437 L438 F480 L483 F487I347-F434 HydrophobicContact CG1-CE2 4.1Å; I347-F434 HydrophobicContact CG1-CZ 4.31Å; F350-F434 HydrophobicContact CB-CE1 3.71Å; F350-F434 HydrophobicContact CB-CZ 4.48Å; F350-F434 AromaticContact CD1-CD1 3.64Å; F350-F434 HydrophobicContact CD1-CD1 3.64Å; F350-F434 AromaticContact CD1-CE1 3.59Å; F350-F434 HydrophobicContact CD1-CE1 3.59Å; F350-F434 HydrophobicContact CD2-CE1 4.21Å; F350-F434 AromaticContact CE1-CD1 3.93Å; F350-F434 HydrophobicContact CE1-CD1 3.93Å; F350-F434 HydrophobicContact CE1-CE1 4.22Å; F350-F434 HydrophobicContact CG-CD1 4.12Å; F350-F434 AromaticContact CG-CE1 3.58Å; F350-F434 HydrophobicContact CG-CE1 3.58Å; F397-F434 AromaticContact CE1-CE1 3.81Å; F397-F434 HydrophobicContact CE1-CE1 3.81Å; F397-F434 AromaticContact CE1-CZ 3.78Å; F397-F434 HydrophobicContact CE1-CZ 3.78Å; F397-F434 HydrophobicContact CZ-CE1 4.28Å; F397-F434 HydrophobicContact CZ-CZ 4.1Å; C430-F434 VanDerWaalsContact O-CD2 3.29Å; C430-F434 WeakPolarHBondContact O-CD2 3.2Å; C430-F434 PolarHBondContact O-N 2.99Å; C430-F434 VanDerWaalsContact O-N 3.08Å; L431-F434 PolarHBondContact O-N 3.3Å; L431-F434 VanDerWaalsContact O-N 3.16Å; F434-L437 PolarHBondContact O-N 2.86Å; F434-L438 WeakPolarHBondContact O-CB 3.32Å; F434-L438 VanDerWaalsContact O-CG 3.27Å; F434-L438 WeakPolarHBondContact O-CG 3.48Å; F434-L438 PolarHBondContact O-N 3.02Å; F434-F480 HydrophobicContact CB-CE2 4.05Å; F434-L483 HydrophobicContact CB-CD2 4.18Å; F434-L483 HydrophobicContact CD1-CD2 4.23Å; F434-L483 HydrophobicContact CD2-CD2 4.43Å; F434-L483 HydrophobicContact CG-CD2 4.06Å; F434-F487 HydrophobicContact CE2-CE2 4.17Å; F434-F487 AromaticContact CE2-CZ 3.74Å; F434-F487 HydrophobicContact CE2-CZ 3.74Å; F434-F487 HydrophobicContact CZ-CZ 4.31Å
435E80.2Confident76.9Confident10 Ų1022.8 Ų22.85%0.04711%0.111CC..Hα-helixtrans-60.1-49.7173.1-160.9-175.4-161.800111.6L431 Q432 Y433 L437 L438 I439 F480 L644 I673L431-E435 PolarHBondContact O-N 3.36Å; Q432-E435 WeakPolarHBondContact O-CB 3.48Å; Q432-E435 PolarHBondContact O-N 3.34Å; Y433-E435 VanDerWaalsContact C-N 3.27Å; Y433-E435 PolarHBondContact O-N 3.21Å; E435-L437 PolarHBondContact O-N 3.36Å; E435-L438 PolarHBondContact O-N 2.7Å; E435-I439 HydrophobicContact CG-CD1 4.17Å; E435-I439 HydrophobicContact CG-CG1 4.31Å; E435-I439 VanDerWaalsContact O-CG1 3.23Å; E435-I439 WeakPolarHBondContact O-CG1 3.31Å; E435-I439 PolarHBondContact O-N 2.86Å; E435-F480 HydrophobicContact CB-CE1 4.48Å; E435-F480 HydrophobicContact CB-CZ 3.93Å; E435-F480 HydrophobicContact CG-CE1 4.38Å; E435-F480 HydrophobicContact CG-CZ 4.3Å; E435-L644 HydrophobicContact CG-CD2 4.02Å; E435-I673 HydrophobicContact CB-CD1 3.59Å; E435-I673 HydrophobicContact CG-CD1 3.98Å; E435-I673 WeakPolarHBondContact OE2-CB 3.46Å
436E79.8Confident76.3Confident58 Ų5822.7 Ų22.727%0.27112%0.115SC..Hα-helixtrans-56.2-37.7177.3-76.4178.1-17800112.3K297 Q432 Y433K297-E436 IonicContact NZ-OE1 3.47Å; K297-E436 PolarHBondContact NZ-OE1 2.86Å; K297-E436 IonicContact NZ-OE2 2.77Å; K297-E436 PolarHBondContact NZ-OE2 2.84Å; Q432-E436 WeakPolarHBondContact O-CG 3.27Å; Q432-E436 PolarHBondContact O-N 3.15Å; Y433-E436 PolarHBondContact O-N 3.11Å
437L77.5Confident75.4Confident17 Ų1729.2 Ų29.29%0.08914%0.143CC..Hα-helixtrans-71.7-31.6176.1-70.1173.9000113.4I347 F350 K351 L354 Y433 F434 E435 P440I347-L437 HydrophobicContact CG2-CD1 4Å; F350-L437 HydrophobicContact CD1-CD1 4.4Å; K351-L437 HydrophobicContact CB-CD1 4.15Å; K351-L437 HydrophobicContact CB-CD2 4.24Å; K351-L437 HydrophobicContact CD-CD2 4.15Å; K351-L437 HydrophobicContact CG-CD2 3.97Å; L354-L437 HydrophobicContact CD1-CB 4.3Å; Y433-L437 WeakPolarHBondContact O-CG 3.49Å; Y433-L437 PolarHBondContact O-N 3.05Å; F434-L437 PolarHBondContact O-N 2.86Å; E435-L437 PolarHBondContact O-N 3.36Å; L437-P440 WeakPolarHBondContact O-CD 3.2Å
438L79.8Confident73.9Confident0 Ų034.4 Ų34.40%016%0.162CC..Hα-helixtrans-93.1-21.7-174.4-71.6174000113.8F350 L354 L394 F434 E435 P440 F441 Y442 F476 F480 L644F350-L438 HydrophobicContact CE1-CD2 4.01Å; F350-L438 HydrophobicContact CE1-CG 4.32Å; F350-L438 HydrophobicContact CZ-CD2 4.17Å; L354-L438 HydrophobicContact CD1-CD2 4.49Å; L394-L438 HydrophobicContact CD1-CD1 4.22Å; L394-L438 HydrophobicContact CD2-CD1 4.24Å; F434-L438 WeakPolarHBondContact O-CB 3.32Å; F434-L438 VanDerWaalsContact O-CG 3.27Å; F434-L438 WeakPolarHBondContact O-CG 3.48Å; F434-L438 PolarHBondContact O-N 3.02Å; E435-L438 PolarHBondContact O-N 2.7Å; L438-P440 VanDerWaalsContact C-CD 3.43Å; L438-F441 PolarHBondContact O-N 3.46Å; L438-Y442 PolarHBondContact O-N 3.37Å; L438-F476 HydrophobicContact CB-CE1 4.45Å; L438-F476 HydrophobicContact CB-CZ 3.94Å; L438-F476 HydrophobicContact CD1-CZ 4.46Å; L438-F476 HydrophobicContact CD2-CE2 4.23Å; L438-F476 HydrophobicContact CD2-CZ 3.89Å; L438-F476 HydrophobicContact CG-CZ 4.3Å; L438-F480 HydrophobicContact CD1-CD2 3.48Å; L438-F480 VanDerWaalsContact CD1-CD2 3.48Å; L438-F480 HydrophobicContact CD1-CE2 3.66Å; L438-F480 HydrophobicContact CD1-CG 4.49Å; L438-L644 HydrophobicContact CB-CD2 4Å
439I75.4Confident72.6Confident25 Ų2534.8 Ų34.813%0.12817%0.165CC..Hα-helixtrans-51.8-43.7177.1-78.8164.6000114E435 F441 Y442 S443 K646E435-I439 HydrophobicContact CG-CD1 4.17Å; E435-I439 HydrophobicContact CG-CG1 4.31Å; E435-I439 VanDerWaalsContact O-CG1 3.23Å; E435-I439 WeakPolarHBondContact O-CG1 3.31Å; E435-I439 PolarHBondContact O-N 2.86Å; I439-F441 PolarHBondContact O-N 3.5Å; I439-Y442 PolarHBondContact O-N 2.96Å; I439-S443 VanDerWaalsContact O-CB 3.29Å; I439-S443 WeakPolarHBondContact O-CB 3.46Å; I439-S443 PolarHBondContact O-N 3.36Å; I439-K646 HydrophobicContact CG2-CD 3.89Å; I439-K646 HydrophobicContact CG2-CG 4.12Å
440P73.3Confident71.2Confident42 Ų4238.8 Ų38.827%0.27319%0.189SC..Hα-helixtrans-59.3-44.7178.3-19.227.6000112.5L207 L437 L438 S443 E444L207-P440 HydrophobicContact CD2-CB 4.44Å; L207-P440 HydrophobicContact CD2-CG 3.33Å; L437-P440 WeakPolarHBondContact O-CD 3.2Å; L438-P440 VanDerWaalsContact C-CD 3.43Å; P440-S443 PolarHBondContact O-N 3.38Å; P440-E444 PolarHBondContact O-N 3.2Å
441F72.6Confident69.4Low61 Ų6143 Ų4327%0.26822%0.218SC..Hα-helixtrans-66.1-42.4178.2-61.9-81.6000111.4L354 P390 L438 I439 S443 E444 M445L354-F441 HydrophobicContact CB-CE2 4.48Å; L354-F441 HydrophobicContact CB-CZ 4.36Å; L354-F441 HydrophobicContact CD1-CE2 4.12Å; L354-F441 HydrophobicContact CD2-CE2 3.99Å; L354-F441 HydrophobicContact CD2-CZ 4.12Å; L354-F441 HydrophobicContact CG-CE2 4.45Å; P390-F441 HydrophobicContact CB-CD1 4.44Å; P390-F441 HydrophobicContact CG-CD1 3.78Å; P390-F441 HydrophobicContact CG-CE1 4.28Å; P390-F441 HydrophobicContact CG-CG 4.31Å; L438-F441 PolarHBondContact O-N 3.46Å; I439-F441 PolarHBondContact O-N 3.5Å; F441-S443 VanDerWaalsContact C-N 3.35Å; F441-S443 PolarHBondContact O-N 3.02Å; F441-E444 PolarHBondContact O-N 3.42Å; F441-M445 WeakPolarHBondContact O-CB 3.34Å; F441-M445 PolarHBondContact O-N 2.93Å
442Y71.1Confident67.7Low25 Ų2546 Ų4610%0.09824%0.238CC..Hα-helixtrans-61.7-42.3173.4-175.7-101.2000112.1L438 I439 M445 T446 I473 F476 K477 L644L438-Y442 PolarHBondContact O-N 3.37Å; I439-Y442 PolarHBondContact O-N 2.96Å; Y442-M445 PolarHBondContact O-N 3.12Å; Y442-T446 HydrophobicContact CD1-CG2 4.31Å; Y442-T446 HydrophobicContact CE1-CG2 3.79Å; Y442-T446 HydrophobicContact CE2-CG2 4.25Å; Y442-T446 WeakPolarHBondContact O-CB 3.47Å; Y442-T446 PolarHBondContact O-N 3.4Å; Y442-T446 PolarHBondContact O-OG1 3.33Å; Y442-I473 HydrophobicContact CE2-CG2 3.85Å; Y442-F476 AromaticContact CD2-CD1 3.82Å; Y442-F476 HydrophobicContact CD2-CD1 3.82Å; Y442-F476 HydrophobicContact CD2-CE1 4.03Å; Y442-F476 HydrophobicContact CG-CE1 4.46Å; Y442-K477 HydrophobicContact CE2-CG 4.26Å; Y442-K477 WeakPolarHBondContact OH-CE 3.36Å; Y442-L644 HydrophobicContact CD1-CB 3.89Å; Y442-L644 VanDerWaalsContact CD1-O 3.23Å; Y442-L644 WeakPolarHBondContact CD1-O 3.48Å; Y442-L644 HydrophobicContact CD2-CB 4.02Å; Y442-L644 HydrophobicContact CD2-CD1 4.02Å; Y442-L644 HydrophobicContact CE1-CB 4.19Å; Y442-L644 WeakPolarHBondContact CE1-O 3.39Å; Y442-L644 HydrophobicContact CE2-CB 4.3Å; Y442-L644 HydrophobicContact CE2-CD1 4.46Å; Y442-L644 HydrophobicContact CG-CB 3.81Å; Y442-L644 HydrophobicContact CG-CD1 4.44Å
443S68.4Low66Low25 Ų2551.9 Ų51.918%0.17526%0.263CS..Hα-helixtrans-66-38.3178.3-172.90000112.1I439 P440 F441 T446 K447I439-S443 VanDerWaalsContact O-CB 3.29Å; I439-S443 WeakPolarHBondContact O-CB 3.46Å; I439-S443 PolarHBondContact O-N 3.36Å; P440-S443 PolarHBondContact O-N 3.38Å; F441-S443 VanDerWaalsContact C-N 3.35Å; F441-S443 PolarHBondContact O-N 3.02Å; S443-T446 VanDerWaalsContact CA-OG1 3.29Å; S443-T446 WeakPolarHBondContact CA-OG1 3.5Å; S443-T446 PolarHBondContact O-OG1 3.23Å; S443-T446 VanDerWaalsContact O-OG1 3.13Å; S443-K447 VanDerWaalsContact O-CB 3.28Å; S443-K447 WeakPolarHBondContact O-CB 3.43Å; S443-K447 WeakPolarHBondContact O-CG 3.48Å; S443-K447 PolarHBondContact O-N 2.85Å; S443-K447 WeakPolarHBondContact OG-CE 3.39Å
444E66.5Low64.4Low92 Ų9257 Ų5743%0.4329%0.292SS..Hα-helixtrans-66.9-43.5175.2-173.1170.2-174.200111.6P440 F441 T446 K447 R448P440-E444 PolarHBondContact O-N 3.2Å; F441-E444 PolarHBondContact O-N 3.42Å; E444-T446 VanDerWaalsContact C-N 3.34Å; E444-T446 PolarHBondContact O-N 3.03Å; E444-K447 PolarHBondContact O-N 3.19Å; E444-R448 PolarHBondContact O-N 3.07Å; E444-R448 IonicContact OE1-CZ 2.73Å; E444-R448 IonicContact OE1-NH1 3.88Å; E444-R448 PolarHBondContact OE1-NH1 2.85Å; E444-R448 IonicContact OE1-NH2 3.94Å; E444-R448 PolarHBondContact OE1-NH2 3.32Å
445M62.8Low62.6Low24 Ų2462.1 Ų62.112%0.11832%0.318CS..Hα-helixtrans-61.5-41.7176.7-160.8178-66.900111.5I391 F441 Y442 T449 N472 I473I391-M445 HydrophobicContact CD1-CE 4.09Å; I391-M445 HydrophobicContact CG1-CE 4.43Å; F441-M445 WeakPolarHBondContact O-CB 3.34Å; F441-M445 PolarHBondContact O-N 2.93Å; Y442-M445 PolarHBondContact O-N 3.12Å; M445-T449 WeakPolarHBondContact O-CG2 3.33Å; M445-N472 HydrophobicContact SD-CB 4.28Å; M445-I473 HydrophobicContact CG-CG1 3.95Å; M445-I473 HydrophobicContact SD-CG1 3.92Å
446T63.8Low60.9Low34 Ų3463.4 Ų63.421%0.20933%0.33CS..Hα-helixtrans-76.3-37.7178.2450000114.1Y442 S443 E444 R448 T449 V450 I473Y442-T446 HydrophobicContact CD1-CG2 4.31Å; Y442-T446 HydrophobicContact CE1-CG2 3.79Å; Y442-T446 HydrophobicContact CE2-CG2 4.25Å; Y442-T446 WeakPolarHBondContact O-CB 3.47Å; Y442-T446 PolarHBondContact O-N 3.4Å; Y442-T446 PolarHBondContact O-OG1 3.33Å; S443-T446 VanDerWaalsContact CA-OG1 3.29Å; S443-T446 WeakPolarHBondContact CA-OG1 3.5Å; S443-T446 PolarHBondContact O-OG1 3.23Å; S443-T446 VanDerWaalsContact O-OG1 3.13Å; E444-T446 VanDerWaalsContact C-N 3.34Å; E444-T446 PolarHBondContact O-N 3.03Å; T446-R448 VanDerWaalsContact C-N 3.27Å; T446-R448 PolarHBondContact O-N 3.45Å; T446-T449 PolarHBondContact O-N 3.27Å; T446-T449 VanDerWaalsContact O-N 3.14Å; T446-T449 PolarHBondContact O-OG1 3.39Å; T446-V450 PolarHBondContact O-N 2.97Å; T446-I473 HydrophobicContact CG2-CD1 4.05Å
447K60.8Low59.3Low136 Ų13663.9 Ų63.959%0.59134%0.344SS*.Hα-helixtrans-59.5-37.7177.6-80.8172.2-179.1177.10112.3S443 E444 V450 C451S443-K447 VanDerWaalsContact O-CB 3.28Å; S443-K447 WeakPolarHBondContact O-CB 3.43Å; S443-K447 WeakPolarHBondContact O-CG 3.48Å; S443-K447 PolarHBondContact O-N 2.85Å; S443-K447 WeakPolarHBondContact OG-CE 3.39Å; E444-K447 PolarHBondContact O-N 3.19Å; K447-V450 PolarHBondContact O-N 3.27Å; K447-C451 PolarHBondContact O-N 3.01Å; K447-C451 PolarHBondContact O-SG 3.3Å; K447-C451 VanDerWaalsContact O-SG 3.37Å
448R50.3Low58.1Low111 Ų11169.5 Ų69.542%0.41937%0.373SS..Hα-helixtrans-73.2-27.6178-71.1-175.6-177.7146.618.9112.7Y387 E444 T446 S452Y387-R448 VanDerWaalsContact CZ-NH1 3.27Å; Y387-R448 WeakPolarHBondContact OH-CD 3.34Å; Y387-R448 PolarHBondContact OH-NH1 3.32Å; E444-R448 PolarHBondContact O-N 3.07Å; E444-R448 IonicContact OE1-CZ 2.73Å; E444-R448 IonicContact OE1-NH1 3.88Å; E444-R448 PolarHBondContact OE1-NH1 2.85Å; E444-R448 IonicContact OE1-NH2 3.94Å; E444-R448 PolarHBondContact OE1-NH2 3.32Å; T446-R448 VanDerWaalsContact C-N 3.27Å; T446-R448 PolarHBondContact O-N 3.45Å; R448-S452 PolarHBondContact O-N 3.14Å; R448-S452 VanDerWaalsContact O-N 3.16Å
449T52.2Low56.3Low22 Ų2275 Ų7514%0.13540%0.401CS..Hα-helixtrans-71.6-32.7172.165.20000112.6M445 T446 K453 H469 I473M445-T449 WeakPolarHBondContact O-CG2 3.33Å; T446-T449 PolarHBondContact O-N 3.27Å; T446-T449 VanDerWaalsContact O-N 3.14Å; T446-T449 PolarHBondContact O-OG1 3.39Å; T449-K453 PolarHBondContact O-N 2.96Å; T449-H469 HydrophobicContact CG2-CB 3.87Å; T449-I473 HydrophobicContact CG2-CD1 3.69Å
450V48.8Very low54.7Low85 Ų8583.6 Ų83.652%0.51543%0.432SS..Hα-helixtrans-72.9-41.4174.5-178.60000111.5T446 K447 S452 K453T446-V450 PolarHBondContact O-N 2.97Å; K447-V450 PolarHBondContact O-N 3.27Å; V450-S452 PolarHBondContact O-N 3.48Å; V450-K453 WeakPolarHBondContact O-CB 3.45Å; V450-K453 PolarHBondContact O-N 3.16Å
451C47.4Very low53.4Low89 Ų8987.6 Ų87.660%0.60146%0.456SS*.Hα-helixtrans-64.2-27.2175.2-68.30000113.1K447K447-C451 PolarHBondContact O-N 3.01Å; K447-C451 PolarHBondContact O-SG 3.3Å; K447-C451 VanDerWaalsContact O-SG 3.37Å
452S46.1Very low51.9Low61 Ų6190.7 Ų90.743%0.42748%0.475SS..Hα-helixtrans-69.4-34.1170.9172.90000112.4R448 V450 D454 M455 A456R448-S452 PolarHBondContact O-N 3.14Å; R448-S452 VanDerWaalsContact O-N 3.16Å; V450-S452 PolarHBondContact O-N 3.48Å; S452-D454 VanDerWaalsContact C-N 3.34Å; S452-D454 PolarHBondContact O-N 3.33Å; S452-M455 CarbonylContact O-C 3.58Å; S452-M455 PolarHBondContact O-N 3.24Å; S452-A456 VanDerWaalsContact O-CB 3.29Å; S452-A456 WeakPolarHBondContact O-CB 3.32Å; S452-A456 PolarHBondContact O-N 2.98Å
453K45.8Very low50.5Low146 Ų14696.3 Ų96.364%0.63551%0.507SS*.Hα-helixtrans-67-31.5-179.8-73.4177-179.3178.50113.2T449 V450 A456T449-K453 PolarHBondContact O-N 2.96Å; V450-K453 WeakPolarHBondContact O-CB 3.45Å; V450-K453 PolarHBondContact O-N 3.16Å; K453-A456 WeakPolarHBondContact O-CB 3.3Å; K453-A456 PolarHBondContact O-N 3.48Å
454D48.6Very low49.5Very low133 Ų133101.8 Ų101.871%0.71153%0.534SS*.Hα-helixtrans-77.4-25.9174.2-71.5-26.1000112.9S452S452-D454 VanDerWaalsContact C-N 3.34Å; S452-D454 PolarHBondContact O-N 3.33Å
455M44.4Very low48.6Very low109 Ų109103.1 Ų103.154%0.53755%0.545SS..Hα-helixtrans-84-18.1168.3-86.3-74.8-100.900113.5S452 A457 I458 L459S452-M455 CarbonylContact O-C 3.58Å; S452-M455 PolarHBondContact O-N 3.24Å; M455-A457 PolarHBondContact O-N 3.34Å; M455-I458 PolarHBondContact O-N 3.1Å; M455-I458 HydrophobicContact SD-CD1 4.36Å; M455-L459 PolarHBondContact O-N 2.7Å
456A43.5Very low47.8Very low36 Ų36108 Ų10830%0.29857%0.569SS.*THydrogen-bonded Turntrans-69.7-11.5177.400000113.1S452 K453 I458 R460S452-A456 VanDerWaalsContact O-CB 3.29Å; S452-A456 WeakPolarHBondContact O-CB 3.32Å; S452-A456 PolarHBondContact O-N 2.98Å; K453-A456 WeakPolarHBondContact O-CB 3.3Å; K453-A456 PolarHBondContact O-N 3.48Å; A456-I458 VanDerWaalsContact C-N 3.29Å; A456-R460 WeakPolarHBondContact O-CG 3.32Å
457A47.6Very low47.4Very low68 Ų68112 Ų11256%0.56259%0.59SS**THydrogen-bonded Turntrans-70.8-24.8165.300000112.6M455M455-A457 PolarHBondContact O-N 3.34Å
458I50.6Low47.1Very low136 Ų136113.6 Ų113.670%0.69759%0.593SS**THydrogen-bonded Turntrans-102.6-21-174.8-60.5173.5000111.9M455 A456M455-I458 PolarHBondContact O-N 3.1Å; M455-I458 HydrophobicContact SD-CD1 4.36Å; A456-I458 VanDerWaalsContact C-N 3.29Å
459L43Very low47.5Very low115 Ų115112.8 Ų112.860%0.60259%0.594SS**  trans-108.529.3-175.8-74163.2000115.1M455 T461M455-L459 PolarHBondContact O-N 2.7Å; L459-T461 PolarHBondContact O-N 2.99Å
460R41.9Very low48.1Very low206 Ų206116.2 Ų116.278%0.77761%0.609SS**THydrogen-bonded Turntrans-6618.7-178-70-169179.8176.90.5116.6A456A456-R460 WeakPolarHBondContact O-CG 3.32Å
461T45.4Very low49Very low125 Ų125116 Ų11677%0.76761%0.605SS**THydrogen-bonded Turntrans-113.9-3.9-17652.10000115.4L459L459-T461 PolarHBondContact O-N 2.99Å
462N41.8Very low50Low127 Ų127112.8 Ų112.868%0.67958%0.581SS**  trans-127.495.4177-84-17000112.2N464N462-N464 PolarHBondContact O-N 2.95Å
463N41.4Very low51.2Low143 Ų143110.1 Ų110.177%0.76556%0.562SS**THydrogen-bonded Turntrans-72.115.6-173.2-81-15.1000116.8
464N48.1Very low52.5Low139 Ų139106.4 Ų106.474%0.74355%0.549SS*.THydrogen-bonded Turntrans-117.7-0.4-170.8-67-1.7000115.7N462N462-N464 PolarHBondContact O-N 2.95Å
465N45.8Very low53.9Low121 Ų121105.4 Ų105.465%0.64754%0.539SS*.SBendtrans-113.10.3-171.9-74.6-6.2000115.2
466I45.9Very low55.5Low125 Ų125100.2 Ų100.264%0.64151%0.513SS*.SBendtrans-83.8-32.6-176.9-61.5175.7000111.7Y468I466-Y468 PolarHBondContact O-N 2.85Å
467D56.5Low57.1Low119 Ų119100.5 Ų100.564%0.63651%0.508SS*.Hα-helixtrans-70.3-33.1-175.5-66.1-21.7000113.3H469 Q470 D471D467-H469 VanDerWaalsContact C-N 3.28Å; D467-H469 PolarHBondContact O-N 3.13Å; D467-H469 VanDerWaalsContact O-N 3.17Å; D467-Q470 PolarHBondContact O-N 3.05Å; D467-D471 PolarHBondContact O-N 3.26Å; D467-D471 VanDerWaalsContact O-N 3.14Å
468Y55.2Low58.7Low170 Ų170100.4 Ų100.467%0.66750%0.503SS*.Hα-helixtrans-64.3-29-170.2-134.8-89.6000114.3I466 N472I466-Y468 PolarHBondContact O-N 2.85Å; Y468-N472 PolarHBondContact O-ND2 3.4Å
469H57.7Low60.1Low94 Ų9494 Ų9444%0.43547%0.47SS..Hα-helixtrans-84.4-31.6-178.8-75.8-68.1000113.1T449 D467 I473T449-H469 HydrophobicContact CG2-CB 3.87Å; D467-H469 VanDerWaalsContact C-N 3.28Å; D467-H469 PolarHBondContact O-N 3.13Å; D467-H469 VanDerWaalsContact O-N 3.17Å; H469-I473 PolarHBondContact O-N 3.49Å
470Q64.3Low62Low94 Ų9488.5 Ų88.544%0.43944%0.441SS..Hα-helixtrans-71.4-41.4175-173.16136.600110.4D467 N472 I473 D474D467-Q470 PolarHBondContact O-N 3.05Å; Q470-N472 PolarHBondContact O-N 3.09Å; Q470-I473 WeakPolarHBondContact O-CB 3.37Å; Q470-I473 PolarHBondContact O-N 3.16Å; Q470-I473 VanDerWaalsContact O-N 3.07Å; Q470-D474 PolarHBondContact NE2-OD1 3.18Å; Q470-D474 VanDerWaalsContact NE2-OD1 3.15Å; Q470-D474 PolarHBondContact O-N 2.88Å
471D68Low64Low81 Ų8180.5 Ų80.543%0.43341%0.413SS..Hα-helixtrans-54.8-37.8175.4-79.6-7.3000112.8D467 K475D467-D471 PolarHBondContact O-N 3.26Å; D467-D471 VanDerWaalsContact O-N 3.14Å; D471-K475 WeakPolarHBondContact O-CB 3.15Å; D471-K475 WeakPolarHBondContact O-CG 3.41Å; D471-K475 PolarHBondContact O-N 2.95Å
472N69Low65.8Low21 Ų2177.5 Ų77.511%0.11239%0.391CS..Hα-helixtrans-71.7-37.1178.9-72.3-17.8000112.6I391 M445 Y468 Q470 D474 F476I391-N472 HydrophobicContact CD1-CB 4.43Å; M445-N472 HydrophobicContact SD-CB 4.28Å; Y468-N472 PolarHBondContact O-ND2 3.4Å; Q470-N472 PolarHBondContact O-N 3.09Å; N472-D474 VanDerWaalsContact C-N 3.35Å; N472-F476 WeakPolarHBondContact O-CB 3.44Å; N472-F476 PolarHBondContact O-N 2.78Å
473I71.4Confident67.9Low5 Ų571.5 Ų71.53%0.02636%0.359CS..Hα-helixtrans-64.8-43.6174.5-67.3170.9000109.7Y442 M445 T446 T449 H469 Q470 F476 K477Y442-I473 HydrophobicContact CE2-CG2 3.85Å; M445-I473 HydrophobicContact CG-CG1 3.95Å; M445-I473 HydrophobicContact SD-CG1 3.92Å; T446-I473 HydrophobicContact CG2-CD1 4.05Å; T449-I473 HydrophobicContact CG2-CD1 3.69Å; H469-I473 PolarHBondContact O-N 3.49Å; Q470-I473 WeakPolarHBondContact O-CB 3.37Å; Q470-I473 PolarHBondContact O-N 3.16Å; Q470-I473 VanDerWaalsContact O-N 3.07Å; I473-F476 PolarHBondContact O-N 3.45Å; I473-K477 WeakPolarHBondContact O-CG 3.35Å; I473-K477 PolarHBondContact O-N 3.46Å
474D72.5Confident69.9Low68 Ų6864.7 Ų64.736%0.36432%0.322SS..Hα-helixtrans-69.5-36.6-179.3-65.3-20.7000111.6Q470 N472 K477 S478Q470-D474 PolarHBondContact NE2-OD1 3.18Å; Q470-D474 VanDerWaalsContact NE2-OD1 3.15Å; Q470-D474 PolarHBondContact O-N 2.88Å; N472-D474 VanDerWaalsContact C-N 3.35Å; D474-K477 PolarHBondContact O-N 3.24Å; D474-S478 VanDerWaalsContact O-CB 3.3Å; D474-S478 WeakPolarHBondContact O-CB 3.03Å; D474-S478 PolarHBondContact O-N 3.17Å; D474-S478 PolarHBondContact O-OG 3.2Å
475K77.9Confident71.6Confident112 Ų11260.8 Ų60.849%0.48730%0.3SS..Hα-helixtrans-62-43.8169.9-76.9171.2-173.3172.60112.2I391 D471 S478 A479I391-K475 HydrophobicContact CG2-CB 4.47Å; D471-K475 WeakPolarHBondContact O-CB 3.15Å; D471-K475 WeakPolarHBondContact O-CG 3.41Å; D471-K475 PolarHBondContact O-N 2.95Å; K475-S478 PolarHBondContact O-N 3.4Å; K475-A479 WeakPolarHBondContact O-CB 3.35Å; K475-A479 PolarHBondContact O-N 3.34Å
476F77.6Confident73.4Confident0 Ų056.3 Ų56.30%028%0.277CS..Hα-helixtrans-63.9-45.1177.6-173.3-96.8000111.8P390 I391 L394 L438 Y442 N472 I473 S478 A479 F480 L644P390-F476 HydrophobicContact CB-CE2 4.15Å; I391-F476 HydrophobicContact CD1-CB 4.37Å; I391-F476 HydrophobicContact CG1-CB 4Å; I391-F476 HydrophobicContact CG1-CD2 3.72Å; I391-F476 HydrophobicContact CG1-CG 4.36Å; L394-F476 HydrophobicContact CD2-CE2 4.48Å; L438-F476 HydrophobicContact CB-CE1 4.45Å; L438-F476 HydrophobicContact CB-CZ 3.94Å; L438-F476 HydrophobicContact CD1-CZ 4.46Å; L438-F476 HydrophobicContact CD2-CE2 4.23Å; L438-F476 HydrophobicContact CD2-CZ 3.89Å; L438-F476 HydrophobicContact CG-CZ 4.3Å; Y442-F476 AromaticContact CD2-CD1 3.82Å; Y442-F476 HydrophobicContact CD2-CD1 3.82Å; Y442-F476 HydrophobicContact CD2-CE1 4.03Å; Y442-F476 HydrophobicContact CG-CE1 4.46Å; N472-F476 WeakPolarHBondContact O-CB 3.44Å; N472-F476 PolarHBondContact O-N 2.78Å; I473-F476 PolarHBondContact O-N 3.45Å; F476-S478 VanDerWaalsContact C-N 3.34Å; F476-S478 PolarHBondContact O-N 3.19Å; F476-A479 PolarHBondContact O-N 2.86Å; F476-F480 PolarHBondContact O-N 3.32Å; F476-L644 HydrophobicContact CD1-CD1 3.56Å; F476-L644 HydrophobicContact CE1-CD1 3.41Å; F476-L644 VanDerWaalsContact CE1-CD1 3.41Å; F476-L644 HydrophobicContact CE1-CD2 4.21Å; F476-L644 HydrophobicContact CE1-CG 4.41Å
477K78.4Confident75.3Confident42 Ų4250.8 Ų50.818%0.18325%0.248CC..Hα-helixtrans-59-45.5173.5-75.8-171.6174.4-166.30111.5Y442 I473 D474 F480 I481 D641Y442-K477 HydrophobicContact CE2-CG 4.26Å; Y442-K477 WeakPolarHBondContact OH-CE 3.36Å; I473-K477 WeakPolarHBondContact O-CG 3.35Å; I473-K477 PolarHBondContact O-N 3.46Å; D474-K477 PolarHBondContact O-N 3.24Å; K477-F480 PolarHBondContact O-N 3.47Å; K477-I481 VanDerWaalsContact O-CG1 3.29Å; K477-I481 WeakPolarHBondContact O-CG1 3.44Å; K477-I481 PolarHBondContact O-N 3.42Å; K477-D641 PolarHBondContact NZ-O 3.23Å; K477-D641 VanDerWaalsContact NZ-O 3.15Å
478S80.6Confident76.6Confident65 Ų6545.2 Ų45.246%0.45522%0.218SC..Hα-helixtrans-62.1-44.7178.9-59.40000111.9D474 K475 F476 F480 I481 E482D474-S478 VanDerWaalsContact O-CB 3.3Å; D474-S478 WeakPolarHBondContact O-CB 3.03Å; D474-S478 PolarHBondContact O-N 3.17Å; D474-S478 PolarHBondContact O-OG 3.2Å; K475-S478 PolarHBondContact O-N 3.4Å; F476-S478 VanDerWaalsContact C-N 3.34Å; F476-S478 PolarHBondContact O-N 3.19Å; S478-F480 VanDerWaalsContact C-N 3.31Å; S478-F480 PolarHBondContact O-N 3.03Å; S478-I481 PolarHBondContact O-N 3.37Å; S478-E482 WeakPolarHBondContact O-CG 3.04Å; S478-E482 PolarHBondContact O-N 3.5Å
479A80.3Confident77.9Confident1 Ų141 Ų411%0.00820%0.204CC..Hα-helixtrans-60.3-40.1176.300000112.1L394 M395 K475 F476 E482 L483L394-A479 HydrophobicContact CB-CB 4.49Å; L394-A479 HydrophobicContact CD2-CB 3.66Å; L394-A479 HydrophobicContact CG-CB 3.97Å; M395-A479 HydrophobicContact CG-CB 4.05Å; M395-A479 HydrophobicContact SD-CB 3.44Å; M395-A479 WeakPolarHBondContact SD-CB 3.4Å; K475-A479 WeakPolarHBondContact O-CB 3.35Å; K475-A479 PolarHBondContact O-N 3.34Å; F476-A479 PolarHBondContact O-N 2.86Å; A479-E482 PolarHBondContact O-N 2.87Å; A479-L483 PolarHBondContact O-N 3.46Å
480F83.1Confident79.1Confident0 Ų036.9 Ų36.90%019%0.186CC..Hα-helixtrans-71.5-36176.4-168.9-113.7000112.7L394 F434 E435 L438 F476 K477 S478 E482 L483 I484 V643 L644 I673L394-F480 HydrophobicContact CD2-CB 4.07Å; L394-F480 HydrophobicContact CD2-CD2 4.49Å; F434-F480 HydrophobicContact CB-CE2 4.05Å; E435-F480 HydrophobicContact CB-CE1 4.48Å; E435-F480 HydrophobicContact CB-CZ 3.93Å; E435-F480 HydrophobicContact CG-CE1 4.38Å; E435-F480 HydrophobicContact CG-CZ 4.3Å; L438-F480 HydrophobicContact CD1-CD2 3.48Å; L438-F480 VanDerWaalsContact CD1-CD2 3.48Å; L438-F480 HydrophobicContact CD1-CE2 3.66Å; L438-F480 HydrophobicContact CD1-CG 4.49Å; F476-F480 PolarHBondContact O-N 3.32Å; K477-F480 PolarHBondContact O-N 3.47Å; S478-F480 VanDerWaalsContact C-N 3.31Å; S478-F480 PolarHBondContact O-N 3.03Å; F480-E482 VanDerWaalsContact C-N 3.31Å; F480-E482 PolarHBondContact O-N 3.46Å; F480-L483 HydrophobicContact CD2-CD2 4Å; F480-L483 HydrophobicContact CE2-CD2 3.94Å; F480-L483 WeakPolarHBondContact O-CB 3.21Å; F480-L483 PolarHBondContact O-N 3.39Å; F480-I484 HydrophobicContact CD1-CD1 3.8Å; F480-I484 HydrophobicContact CD1-CG1 4.42Å; F480-I484 HydrophobicContact CE1-CD1 3.72Å; F480-I484 HydrophobicContact CE1-CG1 4.27Å; F480-I484 HydrophobicContact CZ-CD1 4.48Å; F480-I484 WeakPolarHBondContact O-CG1 3.39Å; F480-I484 PolarHBondContact O-N 3.46Å; F480-V643 HydrophobicContact CD1-CG1 3.5Å; F480-V643 VanDerWaalsContact CD1-CG1 3.5Å; F480-V643 HydrophobicContact CE1-CG1 4.05Å; F480-L644 HydrophobicContact CB-CD1 4.29Å; F480-L644 HydrophobicContact CD1-CD1 4.26Å; F480-L644 HydrophobicContact CD1-CD2 4.42Å; F480-L644 HydrophobicContact CD1-CG 4.17Å; F480-L644 HydrophobicContact CE1-CD2 4.4Å; F480-L644 HydrophobicContact CE1-CG 4.44Å; F480-L644 HydrophobicContact CG-CD1 4.38Å; F480-I673 HydrophobicContact CE1-CD1 3.57Å; F480-I673 HydrophobicContact CE1-CG1 4.42Å; F480-I673 HydrophobicContact CZ-CD1 3.49Å; F480-I673 VanDerWaalsContact CZ-CD1 3.49Å
481I82.7Confident80Confident38 Ų3832.5 Ų32.520%0.19517%0.165CC..Hα-helixtrans-62.2-40.8171.5-70.7165.5000110.6K477 S478 I484 Q485 V643 Q680K477-I481 VanDerWaalsContact O-CG1 3.29Å; K477-I481 WeakPolarHBondContact O-CG1 3.44Å; K477-I481 PolarHBondContact O-N 3.42Å; S478-I481 PolarHBondContact O-N 3.37Å; I481-I484 WeakPolarHBondContact O-CB 3.27Å; I481-I484 PolarHBondContact O-N 3.16Å; I481-Q485 WeakPolarHBondContact O-CG 3.24Å; I481-Q485 PolarHBondContact O-N 2.85Å; I481-V643 HydrophobicContact CG1-CG2 4.45Å; I481-Q680 HydrophobicContact CG2-CG 4.5Å
482E83.1Confident80.7Confident63 Ų6330.4 Ų30.429%0.29415%0.154SC..Hα-helixtrans-61.7-42.5173.8-72.2-167.9-17400111.9T398 K402 S478 A479 F480 I484 Q485 V486T398-E482 HydrophobicContact CG2-CB 3.94Å; K402-E482 IonicContact NZ-OE2 3.34Å; K402-E482 PolarHBondContact NZ-OE2 3.2Å; S478-E482 WeakPolarHBondContact O-CG 3.04Å; S478-E482 PolarHBondContact O-N 3.5Å; A479-E482 PolarHBondContact O-N 2.87Å; F480-E482 VanDerWaalsContact C-N 3.31Å; F480-E482 PolarHBondContact O-N 3.46Å; E482-I484 PolarHBondContact O-N 3.47Å; E482-Q485 PolarHBondContact O-N 3.3Å; E482-V486 WeakPolarHBondContact O-CG2 3.49Å; E482-V486 PolarHBondContact O-N 3.41Å
483L85.5Confident81.3Confident0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-55.7-50.7172.7-172.177.3000110.8L394 F397 T398 L401 L431 F434 A479 F480 Q485 V486 F487L394-L483 HydrophobicContact CD1-CB 4.32Å; L394-L483 HydrophobicContact CD1-CD1 4.42Å; L394-L483 HydrophobicContact CD1-CD2 3.99Å; L394-L483 HydrophobicContact CD1-CG 4.47Å; F397-L483 HydrophobicContact CD1-CD1 3.97Å; F397-L483 HydrophobicContact CE1-CD1 4.27Å; T398-L483 WeakPolarHBondContact OG1-CD1 3.36Å; L401-L483 HydrophobicContact CD1-CD1 3.92Å; L431-L483 HydrophobicContact CD2-CD2 4.47Å; F434-L483 HydrophobicContact CB-CD2 4.18Å; F434-L483 HydrophobicContact CD1-CD2 4.23Å; F434-L483 HydrophobicContact CD2-CD2 4.43Å; F434-L483 HydrophobicContact CG-CD2 4.06Å; A479-L483 PolarHBondContact O-N 3.46Å; F480-L483 HydrophobicContact CD2-CD2 4Å; F480-L483 HydrophobicContact CE2-CD2 3.94Å; F480-L483 WeakPolarHBondContact O-CB 3.21Å; F480-L483 PolarHBondContact O-N 3.39Å; L483-Q485 VanDerWaalsContact C-N 3.3Å; L483-Q485 PolarHBondContact O-N 3.36Å; L483-V486 WeakPolarHBondContact O-CB 3.47Å; L483-V486 PolarHBondContact O-N 2.96Å; L483-V486 VanDerWaalsContact O-N 3.11Å; L483-F487 HydrophobicContact CD1-CD2 4.24Å; L483-F487 HydrophobicContact CD1-CE2 3.74Å; L483-F487 HydrophobicContact CD2-CE2 4.47Å; L483-F487 HydrophobicContact CG-CD2 4.04Å; L483-F487 HydrophobicContact CG-CE2 3.9Å; L483-F487 WeakPolarHBondContact O-CD2 3.44Å; L483-F487 PolarHBondContact O-N 3.21Å; L483-F487 VanDerWaalsContact O-N 3.15Å
484I83.3Confident81.8Confident0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-54.9-46.4177.4-70.4167.9000110.7L431 F480 I481 E482 V486 F487 I488 I673 V677 Q680L431-I484 HydrophobicContact CD1-CG1 4.34Å; L431-I484 HydrophobicContact CD1-CG2 4.41Å; L431-I484 HydrophobicContact CD2-CG1 4.11Å; F480-I484 HydrophobicContact CD1-CD1 3.8Å; F480-I484 HydrophobicContact CD1-CG1 4.42Å; F480-I484 HydrophobicContact CE1-CD1 3.72Å; F480-I484 HydrophobicContact CE1-CG1 4.27Å; F480-I484 HydrophobicContact CZ-CD1 4.48Å; F480-I484 WeakPolarHBondContact O-CG1 3.39Å; F480-I484 PolarHBondContact O-N 3.46Å; I481-I484 WeakPolarHBondContact O-CB 3.27Å; I481-I484 PolarHBondContact O-N 3.16Å; E482-I484 PolarHBondContact O-N 3.47Å; I484-V486 VanDerWaalsContact C-N 3.31Å; I484-V486 PolarHBondContact O-N 2.91Å; I484-F487 PolarHBondContact O-N 2.81Å; I484-I488 HydrophobicContact CG2-CD1 3.33Å; I484-I488 HydrophobicContact CG2-CG1 4.22Å; I484-I488 WeakPolarHBondContact O-CB 3.4Å; I484-I488 WeakPolarHBondContact O-CD1 3.41Å; I484-I488 WeakPolarHBondContact O-CG1 3.37Å; I484-I488 PolarHBondContact O-N 3Å; I484-I673 HydrophobicContact CD1-CG1 4.34Å; I484-V677 HydrophobicContact CG2-CG2 3.99Å; I484-Q680 HydrophobicContact CG2-CB 4.22Å; I484-Q680 HydrophobicContact CG2-CG 4.03Å
485Q84.6Confident82.2Confident58 Ų5830 Ų3027%0.27115%0.152SC..Hα-helixtrans-60.9-37.7179.1-72.5179.21000112.8I481 E482 L483 I488 H489I481-Q485 WeakPolarHBondContact O-CG 3.24Å; I481-Q485 PolarHBondContact O-N 2.85Å; E482-Q485 PolarHBondContact O-N 3.3Å; L483-Q485 VanDerWaalsContact C-N 3.3Å; L483-Q485 PolarHBondContact O-N 3.36Å; Q485-I488 PolarHBondContact O-N 3.16Å; Q485-H489 PolarHBondContact O-N 3.46Å
486V84.5Confident82.4Confident27 Ų2730 Ų3016%0.16415%0.154CC..Hα-helixtrans-65.8-44.1177.9175.80000111.7T398 L401 K402 E482 L483 I484 I488 P490T398-V486 HydrophobicContact CG2-CG2 3.86Å; L401-V486 HydrophobicContact CB-CG1 3.63Å; K402-V486 HydrophobicContact CB-CG2 4.48Å; K402-V486 HydrophobicContact CD-CG2 4.26Å; K402-V486 HydrophobicContact CG-CG2 3.33Å; E482-V486 WeakPolarHBondContact O-CG2 3.49Å; E482-V486 PolarHBondContact O-N 3.41Å; L483-V486 WeakPolarHBondContact O-CB 3.47Å; L483-V486 PolarHBondContact O-N 2.96Å; L483-V486 VanDerWaalsContact O-N 3.11Å; I484-V486 VanDerWaalsContact C-N 3.31Å; I484-V486 PolarHBondContact O-N 2.91Å; V486-I488 VanDerWaalsContact C-N 3.3Å; V486-I488 PolarHBondContact O-N 3.01Å; V486-P490 WeakPolarHBondContact O-CD 3.15Å
487F84.7Confident82.5Confident9 Ų931.4 Ų31.44%0.03916%0.161CC..Hα-helixtrans-70-27.1177.4-82.6-87.7000113.1Y343 L346 L401 T427 L431 F434 L483 I484 P490 F491Y343-F487 AromaticContact CD1-CE1 3.84Å; Y343-F487 HydrophobicContact CD1-CE1 3.84Å; Y343-F487 AromaticContact CE1-CD1 3.82Å; Y343-F487 HydrophobicContact CE1-CD1 3.82Å; Y343-F487 AromaticContact CE1-CE1 3.47Å; Y343-F487 HydrophobicContact CE1-CE1 3.47Å; Y343-F487 VanDerWaalsContact CE1-CE1 3.47Å; L346-F487 HydrophobicContact CD1-CZ 4.5Å; L401-F487 HydrophobicContact CD1-CD2 4.46Å; L401-F487 HydrophobicContact CD1-CE2 3.53Å; L401-F487 HydrophobicContact CD1-CZ 3.79Å; T427-F487 HydrophobicContact CG2-CB 3.75Å; T427-F487 HydrophobicContact CG2-CD1 3.82Å; T427-F487 HydrophobicContact CG2-CG 4.23Å; L431-F487 HydrophobicContact CD1-CB 4.07Å; L431-F487 HydrophobicContact CD2-CB 4.07Å; L431-F487 HydrophobicContact CD2-CD2 3.75Å; L431-F487 HydrophobicContact CD2-CE2 4.38Å; L431-F487 HydrophobicContact CD2-CG 3.98Å; L431-F487 HydrophobicContact CG-CB 4.23Å; L431-F487 HydrophobicContact CG-CG 4.37Å; F434-F487 HydrophobicContact CE2-CE2 4.17Å; F434-F487 AromaticContact CE2-CZ 3.74Å; F434-F487 HydrophobicContact CE2-CZ 3.74Å; F434-F487 HydrophobicContact CZ-CZ 4.31Å; L483-F487 HydrophobicContact CD1-CD2 4.24Å; L483-F487 HydrophobicContact CD1-CE2 3.74Å; L483-F487 HydrophobicContact CD2-CE2 4.47Å; L483-F487 HydrophobicContact CG-CD2 4.04Å; L483-F487 HydrophobicContact CG-CE2 3.9Å; L483-F487 WeakPolarHBondContact O-CD2 3.44Å; L483-F487 PolarHBondContact O-N 3.21Å; L483-F487 VanDerWaalsContact O-N 3.15Å; I484-F487 PolarHBondContact O-N 2.81Å; F487-P490 WeakPolarHBondContact O-CD 3.4Å; F487-F491 WeakPolarHBondContact O-CD2 3.43Å; F487-F491 WeakPolarHBondContact O-CE2 3.44Å
488I83.2Confident82.7Confident2 Ų229.4 Ų29.41%0.0115%0.153CC..Hα-helixtrans-79.6-36.6179.6-78.3171.9000113.2I484 Q485 V486 P490 F491 L492 V677 Q680 L681I484-I488 HydrophobicContact CG2-CD1 3.33Å; I484-I488 HydrophobicContact CG2-CG1 4.22Å; I484-I488 WeakPolarHBondContact O-CB 3.4Å; I484-I488 WeakPolarHBondContact O-CD1 3.41Å; I484-I488 WeakPolarHBondContact O-CG1 3.37Å; I484-I488 PolarHBondContact O-N 3Å; Q485-I488 PolarHBondContact O-N 3.16Å; V486-I488 VanDerWaalsContact C-N 3.3Å; V486-I488 PolarHBondContact O-N 3.01Å; I488-P490 VanDerWaalsContact C-N 3.26Å; I488-P490 WeakPolarHBondContact O-CD 3.23Å; I488-P490 VanDerWaalsContact O-N 3.08Å; I488-F491 WeakPolarHBondContact O-CB 3.34Å; I488-F491 PolarHBondContact O-N 3.41Å; I488-L492 HydrophobicContact CG2-CD2 4.48Å; I488-V677 HydrophobicContact CD1-CB 4.13Å; I488-V677 HydrophobicContact CD1-CG1 3.69Å; I488-V677 HydrophobicContact CD1-CG2 4.37Å; I488-V677 VanDerWaalsContact CD1-O 3.31Å; I488-V677 WeakPolarHBondContact CD1-O 3.12Å; I488-V677 HydrophobicContact CG1-CG1 3.85Å; I488-Q680 HydrophobicContact CD1-CB 3.64Å; I488-L681 HydrophobicContact CD1-CG 4.3Å; I488-L681 HydrophobicContact CG1-CG 4.33Å; I488-L681 HydrophobicContact CG2-CB 4.4Å; I488-L681 HydrophobicContact CG2-CD2 3.29Å; I488-L681 HydrophobicContact CG2-CG 3.46Å; I488-L681 VanDerWaalsContact CG2-CG 3.46Å
489H84.1Confident82.8Confident80 Ų8026.9 Ų26.937%0.3714%0.135SC..G310 helixtrans-47.7-37.8-173.9-171-106.8000115.4Q408 Q485 F491 L492Q408-H489 VanDerWaalsContact CD-ND1 3.26Å; Q408-H489 PolarHBondContact NE2-CE1 2.85Å; Q408-H489 PolarHBondContact NE2-ND1 3.25Å; Q408-H489 PolarHBondContact OE1-CE1 3.15Å; Q408-H489 PolarHBondContact OE1-ND1 3.22Å; Q485-H489 PolarHBondContact O-N 3.46Å; H489-F491 PolarHBondContact O-N 2.81Å; H489-L492 VanDerWaalsContact O-CG 3.31Å; H489-L492 WeakPolarHBondContact O-CG 3.37Å
490P82.4Confident82.9Confident9 Ų930.7 Ų30.76%0.05816%0.155CC..G310 helixtrans-65.4-16.3176.1-23.938.2000115.1F407 T411 V486 F487 I488F407-P490 HydrophobicContact CD1-CB 3.91Å; F407-P490 HydrophobicContact CD1-CG 3.49Å; F407-P490 VanDerWaalsContact CD1-CG 3.49Å; F407-P490 HydrophobicContact CE1-CB 3.72Å; F407-P490 HydrophobicContact CE1-CG 3.57Å; T411-P490 WeakPolarHBondContact CB-O 3.27Å; T411-P490 HydrophobicContact CG2-CB 3.67Å; T411-P490 VanDerWaalsContact OG1-CB 3.26Å; T411-P490 WeakPolarHBondContact OG1-CB 3.48Å; T411-P490 PolarHBondContact OG1-O 2.91Å; V486-P490 WeakPolarHBondContact O-CD 3.15Å; F487-P490 WeakPolarHBondContact O-CD 3.4Å; I488-P490 VanDerWaalsContact C-N 3.26Å; I488-P490 WeakPolarHBondContact O-CD 3.23Å; I488-P490 VanDerWaalsContact O-N 3.08Å
491F83.3Confident82.8Confident1 Ų133.5 Ų33.50%0.00417%0.166CC..G310 helixtrans-107.29.5-173-59-77.1000113.8F407 T411 I420 L423 F424 T427 F487 I488 H489 N493 L494F407-F491 HydrophobicContact CE1-CE2 4.18Å; F407-F491 HydrophobicContact CE1-CZ 4.3Å; F407-F491 HydrophobicContact CZ-CE2 4.3Å; F407-F491 AromaticContact CZ-CZ 3.98Å; F407-F491 HydrophobicContact CZ-CZ 3.98Å; T411-F491 HydrophobicContact CG2-CE1 4.5Å; I420-F491 HydrophobicContact CD1-CD1 3.77Å; I420-F491 HydrophobicContact CD1-CE1 3.72Å; I420-F491 HydrophobicContact CG1-CD1 3.9Å; I420-F491 HydrophobicContact CG1-CE1 4.21Å; L423-F491 HydrophobicContact CB-CE1 3.76Å; L423-F491 HydrophobicContact CB-CZ 4.07Å; F424-F491 HydrophobicContact CB-CD1 3.69Å; F424-F491 HydrophobicContact CB-CE1 3.86Å; F424-F491 HydrophobicContact CB-CG 4.17Å; F424-F491 HydrophobicContact CB-CZ 4.45Å; F424-F491 HydrophobicContact CD2-CB 3.98Å; F424-F491 HydrophobicContact CD2-CD1 4.2Å; F424-F491 HydrophobicContact CD2-CD2 4Å; F424-F491 AromaticContact CD2-CG 3.79Å; F424-F491 HydrophobicContact CD2-CG 3.79Å; F424-F491 HydrophobicContact CG-CD1 4.4Å; F424-F491 HydrophobicContact CG-CG 4.42Å; F424-F491 VanDerWaalsContact N-CE1 3.29Å; T427-F491 HydrophobicContact CG2-CE2 3.94Å; T427-F491 VanDerWaalsContact OG1-CE2 3.24Å; T427-F491 WeakPolarHBondContact OG1-CE2 3.36Å; T427-F491 WeakPolarHBondContact OG1-CZ 3.33Å; F487-F491 WeakPolarHBondContact O-CD2 3.43Å; F487-F491 WeakPolarHBondContact O-CE2 3.44Å; I488-F491 WeakPolarHBondContact O-CB 3.34Å; I488-F491 PolarHBondContact O-N 3.41Å; H489-F491 PolarHBondContact O-N 2.81Å; F491-N493 PolarHBondContact O-N 3.22Å; F491-L494 WeakPolarHBondContact O-CB 3.44Å; F491-L494 PolarHBondContact O-N 3.14Å
492L82.2Confident82.8Confident38 Ų3832 Ų3220%0.19916%0.158CC..THydrogen-bonded Turntrans-58.8-31.1-178.6-67.3175.3000113.3I488 H489 L494 P495 L681 K684 Q685I488-L492 HydrophobicContact CG2-CD2 4.48Å; H489-L492 VanDerWaalsContact O-CG 3.31Å; H489-L492 WeakPolarHBondContact O-CG 3.37Å; L492-L494 VanDerWaalsContact C-N 3.32Å; L492-L494 PolarHBondContact O-N 3.39Å; L492-P495 WeakPolarHBondContact O-CD 3.38Å; L492-L681 HydrophobicContact CD2-CD2 4.24Å; L492-K684 HydrophobicContact CD2-CB 3.37Å; L492-K684 HydrophobicContact CD2-CG 4.25Å; L492-Q685 PolarHBondContact O-NE2 2.84Å; L492-Q685 VanDerWaalsContact O-NE2 3.11Å
493N81.6Confident82.8Confident73 Ų7330.9 Ų30.939%0.3916%0.158SC..THydrogen-bonded Turntrans-81.6-5.2179.2-61.2-12.8000113.6N412 F491 E496 L497N412-N493 PolarHBondContact OD1-ND2 3.34Å; F491-N493 PolarHBondContact O-N 3.22Å; N493-E496 PolarHBondContact O-N 3Å; N493-L497 WeakPolarHBondContact O-CG 3.3Å; N493-L497 PolarHBondContact O-N 2.95Å
494L81.3Confident82.6Confident8 Ų838.2 Ų38.24%0.04219%0.19CC..Hα-helixtrans-55.8-46.6-177.517771.1000112.7I420 F424 F491 L492 E496 L497 F498 T552I420-L494 HydrophobicContact CB-CD1 4.45Å; I420-L494 HydrophobicContact CG2-CD1 3.48Å; I420-L494 VanDerWaalsContact CG2-CD1 3.48Å; F424-L494 HydrophobicContact CB-CD2 4.14Å; F424-L494 HydrophobicContact CD1-CD2 3.9Å; F424-L494 HydrophobicContact CG-CD2 3.95Å; F491-L494 WeakPolarHBondContact O-CB 3.44Å; F491-L494 PolarHBondContact O-N 3.14Å; L492-L494 VanDerWaalsContact C-N 3.32Å; L492-L494 PolarHBondContact O-N 3.39Å; L494-E496 VanDerWaalsContact C-N 3.32Å; L494-E496 PolarHBondContact O-N 2.76Å; L494-L497 PolarHBondContact O-N 3.48Å; L494-F498 WeakPolarHBondContact O-CB 3.4Å; L494-F498 PolarHBondContact O-N 2.73Å; L494-T552 HydrophobicContact CG-CG2 4.45Å
495P81.9Confident82.4Confident4 Ų439.6 Ų39.63%0.02620%0.196CC..Hα-helixtrans-63.1-35.9178.9-2336.3000113.1L492 S499 I555 F559L492-P495 WeakPolarHBondContact O-CD 3.38Å; P495-S499 WeakPolarHBondContact O-CB 3.39Å; P495-S499 PolarHBondContact O-N 3.01Å; P495-S499 PolarHBondContact O-OG 3.38Å; P495-I555 HydrophobicContact CG-CB 4.47Å; P495-I555 HydrophobicContact CG-CG2 3.84Å; P495-F559 HydrophobicContact CB-CD2 4.26Å; P495-F559 HydrophobicContact CB-CE2 4.05Å
496E81.5Confident82.2Confident111 Ų11137 Ų3752%0.51918%0.184SC..Hα-helixtrans-72.8-40.6179.3-171.3-179.9176.900111.9N493 L494 F498 S499 N500N493-E496 PolarHBondContact O-N 3Å; L494-E496 VanDerWaalsContact C-N 3.32Å; L494-E496 PolarHBondContact O-N 2.76Å; E496-F498 VanDerWaalsContact C-N 3.33Å; E496-S499 WeakPolarHBondContact CA-OG 3.3Å; E496-S499 PolarHBondContact O-N 3.38Å; E496-S499 PolarHBondContact O-OG 2.92Å; E496-N500 WeakPolarHBondContact O-CB 3.19Å; E496-N500 PolarHBondContact O-N 2.9Å; E496-N500 PolarHBondContact O-ND2 3.01Å; E496-N500 VanDerWaalsContact O-ND2 3.12Å
497L80.4Confident82Confident31 Ų3139.2 Ų39.216%0.16220%0.195CC..Hα-helixtrans-63.7-41173.3-70.5176.7000111.3I414 L415 I420 N493 L494 N500 Y501I414-L497 WeakPolarHBondContact O-CD1 3.28Å; L415-L497 HydrophobicContact CD2-CD2 4.4Å; I420-L497 HydrophobicContact CG2-CD1 3.88Å; N493-L497 WeakPolarHBondContact O-CG 3.3Å; N493-L497 PolarHBondContact O-N 2.95Å; L494-L497 PolarHBondContact O-N 3.48Å; L497-N500 PolarHBondContact O-N 3.26Å; L497-Y501 PolarHBondContact O-N 3.24Å; L497-Y501 VanDerWaalsContact O-N 3.1Å
498F82.5Confident81.7Confident0 Ų043.8 Ų43.80%021%0.212CC..Hα-helixtrans-63.7-48174.7-174.1-106.4000111.4Y417 L494 E496 N500 Y501 I502 L547 C548 E551 T552 I560Y417-F498 AromaticContact CD2-CD2 3.61Å; Y417-F498 HydrophobicContact CD2-CD2 3.61Å; Y417-F498 HydrophobicContact CD2-CE2 4.26Å; Y417-F498 AromaticContact CE2-CD2 3.77Å; Y417-F498 HydrophobicContact CE2-CD2 3.77Å; Y417-F498 AromaticContact CE2-CE2 3.93Å; Y417-F498 HydrophobicContact CE2-CE2 3.93Å; Y417-F498 HydrophobicContact CG-CD2 4.3Å; L494-F498 WeakPolarHBondContact O-CB 3.4Å; L494-F498 PolarHBondContact O-N 2.73Å; E496-F498 VanDerWaalsContact C-N 3.33Å; F498-N500 VanDerWaalsContact C-N 3.3Å; F498-N500 PolarHBondContact O-N 3.46Å; F498-Y501 WeakPolarHBondContact O-CB 3.37Å; F498-Y501 PolarHBondContact O-N 3.48Å; F498-Y501 VanDerWaalsContact O-N 3.14Å; F498-I502 HydrophobicContact CD1-CG1 4.12Å; F498-I502 HydrophobicContact CE1-CD1 4.3Å; F498-I502 HydrophobicContact CE1-CG1 3.77Å; F498-I502 HydrophobicContact CE2-CD1 4.24Å; F498-I502 HydrophobicContact CE2-CG1 4.29Å; F498-I502 HydrophobicContact CZ-CD1 3.89Å; F498-I502 HydrophobicContact CZ-CG1 3.86Å; F498-I502 WeakPolarHBondContact O-CG1 3.4Å; F498-I502 PolarHBondContact O-N 3.17Å; F498-L547 HydrophobicContact CE2-CD2 4.05Å; F498-L547 HydrophobicContact CE2-CG 4.02Å; F498-L547 HydrophobicContact CZ-CB 4.36Å; F498-L547 HydrophobicContact CZ-CD2 4Å; F498-L547 HydrophobicContact CZ-CG 3.85Å; F498-C548 HydrophobicContact CE1-CB 3.98Å; F498-E551 HydrophobicContact CD2-CB 4.38Å; F498-E551 HydrophobicContact CE2-CB 4.03Å; F498-E551 HydrophobicContact CE2-CG 4.23Å; F498-T552 HydrophobicContact CB-CG2 3.86Å; F498-T552 HydrophobicContact CD1-CG2 3.84Å; F498-T552 HydrophobicContact CD2-CG2 4.28Å; F498-T552 HydrophobicContact CE1-CG2 4.48Å; F498-T552 HydrophobicContact CG-CG2 3.73Å; F498-I560 HydrophobicContact CD1-CD1 4.02Å; F498-I560 HydrophobicContact CE1-CD1 3.52Å; F498-I560 HydrophobicContact CE1-CG1 4.4Å
499S82.7Confident81.3Confident11 Ų1145 Ų458%0.07722%0.218CC..Hα-helixtrans-61.4-38.4178.267.80000112.1P495 E496 Y501 I502 S503 I563P495-S499 WeakPolarHBondContact O-CB 3.39Å; P495-S499 PolarHBondContact O-N 3.01Å; P495-S499 PolarHBondContact O-OG 3.38Å; E496-S499 WeakPolarHBondContact CA-OG 3.3Å; E496-S499 PolarHBondContact O-N 3.38Å; E496-S499 PolarHBondContact O-OG 2.92Å; S499-Y501 PolarHBondContact O-N 3.44Å; S499-I502 PolarHBondContact O-N 2.67Å; S499-S503 WeakPolarHBondContact O-CB 3.46Å; S499-S503 PolarHBondContact O-N 2.86Å; S499-I563 VanDerWaalsContact O-CD1 3.22Å; S499-I563 WeakPolarHBondContact O-CD1 3.46Å
500N83.2Confident80.8Confident81 Ų8145.8 Ų45.843%0.43322%0.217SC..Hα-helixtrans-64.5-38.3175.7-75.1-28.9000112.7E496 L497 F498 K504E496-N500 WeakPolarHBondContact O-CB 3.19Å; E496-N500 PolarHBondContact O-N 2.9Å; E496-N500 PolarHBondContact O-ND2 3.01Å; E496-N500 VanDerWaalsContact O-ND2 3.12Å; L497-N500 PolarHBondContact O-N 3.26Å; F498-N500 VanDerWaalsContact C-N 3.3Å; F498-N500 PolarHBondContact O-N 3.46Å; N500-K504 WeakPolarHBondContact O-CG 3.41Å; N500-K504 PolarHBondContact O-N 3.47Å
501Y80.6Confident80.4Confident59 Ų5950.5 Ų50.523%0.23124%0.242CC..Hα-helixtrans-65.2-48.3173.8173.8-99.4000111.4Y417 L497 F498 S499 S503 K504 Q505Y417-Y501 AromaticContact CD1-CD1 3.9Å; Y417-Y501 HydrophobicContact CD1-CD1 3.9Å; Y417-Y501 AromaticContact CD1-CD2 3.79Å; Y417-Y501 HydrophobicContact CD1-CD2 3.79Å; Y417-Y501 HydrophobicContact CD1-CE2 4.4Å; Y417-Y501 AromaticContact CD1-CG 3.5Å; Y417-Y501 HydrophobicContact CD1-CG 3.5Å; Y417-Y501 VanDerWaalsContact CD1-CG 3.5Å; Y417-Y501 AromaticContact CE1-CD1 3.31Å; Y417-Y501 HydrophobicContact CE1-CD1 3.31Å; Y417-Y501 AromaticContact CE1-CD2 3.49Å; Y417-Y501 HydrophobicContact CE1-CD2 3.49Å; Y417-Y501 VanDerWaalsContact CE1-CD2 3.49Å; Y417-Y501 AromaticContact CE1-CE1 3.52Å; Y417-Y501 HydrophobicContact CE1-CE1 3.52Å; Y417-Y501 AromaticContact CE1-CE2 3.67Å; Y417-Y501 HydrophobicContact CE1-CE2 3.67Å; Y417-Y501 AromaticContact CE1-CG 3.29Å; Y417-Y501 HydrophobicContact CE1-CG 3.29Å; Y417-Y501 AromaticContact CE1-CZ 3.67Å; Y417-Y501 AromaticContact CZ-CD1 3.76Å; Y417-Y501 AromaticContact CZ-CE1 3.75Å; Y417-Y501 WeakPolarHBondContact OH-CE1 3.42Å; L497-Y501 PolarHBondContact O-N 3.24Å; L497-Y501 VanDerWaalsContact O-N 3.1Å; F498-Y501 WeakPolarHBondContact O-CB 3.37Å; F498-Y501 PolarHBondContact O-N 3.48Å; F498-Y501 VanDerWaalsContact O-N 3.14Å; S499-Y501 PolarHBondContact O-N 3.44Å; Y501-S503 PolarHBondContact O-N 2.75Å; Y501-K504 PolarHBondContact O-N 2.77Å; Y501-Q505 HydrophobicContact CD1-CG 4.4Å; Y501-Q505 HydrophobicContact CE1-CG 3.99Å; Y501-Q505 HydrophobicContact CE2-CG 4.42Å; Y501-Q505 WeakPolarHBondContact O-CG 3.38Å; Y501-Q505 PolarHBondContact O-N 3.39Å; Y501-Q505 VanDerWaalsContact O-N 3.1Å; Y501-Q505 PolarHBondContact OH-NE2 2.89Å
502I82.5Confident79.8Confident6 Ų655.8 Ų55.83%0.03127%0.267CS..Hα-helixtrans-61.3-43.4177.6-64.2-55.6000111F498 S499 K504 Q505 F506 T544 L547 I563F498-I502 HydrophobicContact CD1-CG1 4.12Å; F498-I502 HydrophobicContact CE1-CD1 4.3Å; F498-I502 HydrophobicContact CE1-CG1 3.77Å; F498-I502 HydrophobicContact CE2-CD1 4.24Å; F498-I502 HydrophobicContact CE2-CG1 4.29Å; F498-I502 HydrophobicContact CZ-CD1 3.89Å; F498-I502 HydrophobicContact CZ-CG1 3.86Å; F498-I502 WeakPolarHBondContact O-CG1 3.4Å; F498-I502 PolarHBondContact O-N 3.17Å; S499-I502 PolarHBondContact O-N 2.67Å; I502-K504 VanDerWaalsContact C-N 3.33Å; I502-K504 PolarHBondContact O-N 3.07Å; I502-Q505 WeakPolarHBondContact O-CB 2.75Å; I502-Q505 PolarHBondContact O-N 2.94Å; I502-F506 HydrophobicContact CG2-CD2 3.6Å; I502-F506 HydrophobicContact CG2-CE2 3.51Å; I502-F506 VanDerWaalsContact O-CD2 3.27Å; I502-F506 WeakPolarHBondContact O-CD2 3.44Å; I502-F506 PolarHBondContact O-N 2.9Å; I502-T544 HydrophobicContact CD1-CG2 4.11Å; I502-T544 HydrophobicContact CG1-CG2 4.29Å; I502-T544 HydrophobicContact CG2-CG2 3.6Å; I502-L547 HydrophobicContact CD1-CD2 4.2Å; I502-I563 HydrophobicContact CB-CD1 4.38Å; I502-I563 HydrophobicContact CG2-CD1 4.26Å; I502-I563 HydrophobicContact CG2-CG2 4.33Å
503S83.4Confident79Confident41 Ų4155 Ų5529%0.28726%0.263SS..Hα-helixtrans-57.2-44.9177.1-1700000111.8S499 Y501 Q505 F506 D507S499-S503 WeakPolarHBondContact O-CB 3.46Å; S499-S503 PolarHBondContact O-N 2.86Å; Y501-S503 PolarHBondContact O-N 2.75Å; S503-Q505 VanDerWaalsContact C-N 3.31Å; S503-Q505 PolarHBondContact O-N 3.23Å; S503-F506 PolarHBondContact O-N 2.9Å; S503-D507 WeakPolarHBondContact O-CB 3.4Å; S503-D507 PolarHBondContact O-N 3.12Å
504K81.4Confident78Confident154 Ų15456.5 Ų56.567%0.6727%0.271SS*.Hα-helixtrans-62.7-37.2176.1-72.4176.4-178.4178.60112.5N500 Y501 I502 Y508N500-K504 WeakPolarHBondContact O-CG 3.41Å; N500-K504 PolarHBondContact O-N 3.47Å; Y501-K504 PolarHBondContact O-N 2.77Å; I502-K504 VanDerWaalsContact C-N 3.33Å; I502-K504 PolarHBondContact O-N 3.07Å; K504-Y508 PolarHBondContact O-N 3.28Å
505Q77.6Confident77.1Confident28 Ų2857.5 Ų57.513%0.13128%0.276CS..Hα-helixtrans-67.5-43.2176.8-69.9-71.515.800111.9L317 Y501 I502 S503 D507 Y508 K509L317-Q505 HydrophobicContact CD1-CB 4.36Å; L317-Q505 VanDerWaalsContact CD1-OE1 3.25Å; Y501-Q505 HydrophobicContact CD1-CG 4.4Å; Y501-Q505 HydrophobicContact CE1-CG 3.99Å; Y501-Q505 HydrophobicContact CE2-CG 4.42Å; Y501-Q505 WeakPolarHBondContact O-CG 3.38Å; Y501-Q505 PolarHBondContact O-N 3.39Å; Y501-Q505 VanDerWaalsContact O-N 3.1Å; Y501-Q505 PolarHBondContact OH-NE2 2.89Å; I502-Q505 WeakPolarHBondContact O-CB 2.75Å; I502-Q505 PolarHBondContact O-N 2.94Å; S503-Q505 VanDerWaalsContact C-N 3.31Å; S503-Q505 PolarHBondContact O-N 3.23Å; Q505-D507 VanDerWaalsContact C-N 3.35Å; Q505-Y508 PolarHBondContact O-N 3.42Å; Q505-K509 PolarHBondContact O-N 2.83Å
506F82.1Confident76Confident4 Ų462.9 Ų62.92%0.01831%0.309CS..Hα-helixtrans-64-40.1175.6-86.3-114.9000111.4I502 S503 K509 R510 L540 F541 T544 I563 I564 Y567I502-F506 HydrophobicContact CG2-CD2 3.6Å; I502-F506 HydrophobicContact CG2-CE2 3.51Å; I502-F506 VanDerWaalsContact O-CD2 3.27Å; I502-F506 WeakPolarHBondContact O-CD2 3.44Å; I502-F506 PolarHBondContact O-N 2.9Å; S503-F506 PolarHBondContact O-N 2.9Å; F506-K509 PolarHBondContact O-N 2.75Å; F506-R510 WeakPolarHBondContact O-CB 3.49Å; F506-R510 PolarHBondContact O-N 3.32Å; F506-L540 HydrophobicContact CD1-CD2 4.42Å; F506-L540 HydrophobicContact CD2-CD2 4.37Å; F506-L540 HydrophobicContact CE1-CD2 4.28Å; F506-L540 HydrophobicContact CE2-CD2 4.21Å; F506-L540 HydrophobicContact CE2-CG 4.13Å; F506-L540 HydrophobicContact CG-CD2 4.49Å; F506-L540 HydrophobicContact CZ-CD2 4.17Å; F506-L540 HydrophobicContact CZ-CG 4.07Å; F506-F541 AromaticContact CE1-CD1 3.83Å; F506-F541 HydrophobicContact CE1-CD1 3.83Å; F506-F541 AromaticContact CE1-CE1 3.7Å; F506-F541 HydrophobicContact CE1-CE1 3.7Å; F506-F541 HydrophobicContact CZ-CD1 4.06Å; F506-F541 HydrophobicContact CZ-CE1 4.39Å; F506-T544 HydrophobicContact CE2-CG2 3.9Å; F506-T544 WeakPolarHBondContact CE2-OG1 3.43Å; F506-T544 HydrophobicContact CZ-CG2 4.21Å; F506-I563 HydrophobicContact CB-CG2 3.98Å; F506-I563 HydrophobicContact CD1-CG2 3.93Å; F506-I563 HydrophobicContact CD2-CG2 4.13Å; F506-I563 HydrophobicContact CE1-CG2 4.44Å; F506-I563 HydrophobicContact CG-CG2 3.74Å; F506-I564 HydrophobicContact CE1-CG1 3.86Å; F506-I564 HydrophobicContact CZ-CG1 3.87Å; F506-Y567 HydrophobicContact CB-CD2 4.3Å; F506-Y567 HydrophobicContact CD1-CD1 4.23Å; F506-Y567 AromaticContact CD1-CD2 3.8Å; F506-Y567 HydrophobicContact CD1-CD2 3.8Å; F506-Y567 HydrophobicContact CD1-CE2 4.49Å; F506-Y567 AromaticContact CD1-CG 3.64Å; F506-Y567 HydrophobicContact CD1-CG 3.64Å; F506-Y567 HydrophobicContact CE1-CD1 4.41Å; F506-Y567 HydrophobicContact CE1-CG 4.24Å; F506-Y567 HydrophobicContact CG-CD2 4.49Å
507D80.2Confident75Confident74 Ų7459.5 Ų59.540%0.39630%0.296SS..Hα-helixtrans-63.8-40.8174.6-74.8-31.7000112.2S503 Q505 R510 N511S503-D507 WeakPolarHBondContact O-CB 3.4Å; S503-D507 PolarHBondContact O-N 3.12Å; Q505-D507 VanDerWaalsContact C-N 3.35Å; D507-R510 PolarHBondContact O-N 3.13Å; D507-N511 VanDerWaalsContact O-CG 3.24Å; D507-N511 PolarHBondContact O-N 3.26Å; D507-N511 PolarHBondContact O-ND2 3.26Å; D507-N511 VanDerWaalsContact O-ND2 3.1Å
508Y77.7Confident73.8Confident104 Ų10460.6 Ų60.641%0.40832%0.315SS..Hα-helixtrans-63.3-49.5175-177.8-83.5000111.4L317 F320 K504 Q505 R510 N511 E512L317-Y508 HydrophobicContact CD2-CD1 3.21Å; L317-Y508 HydrophobicContact CD2-CE1 3.3Å; L317-Y508 HydrophobicContact CD2-CG 4.33Å; F320-Y508 HydrophobicContact CE2-CD2 4.33Å; F320-Y508 HydrophobicContact CE2-CE2 4.18Å; F320-Y508 HydrophobicContact CZ-CE2 4.22Å; K504-Y508 PolarHBondContact O-N 3.28Å; Q505-Y508 PolarHBondContact O-N 3.42Å; Y508-R510 VanDerWaalsContact C-N 3.28Å; Y508-R510 PolarHBondContact O-N 2.91Å; Y508-N511 WeakPolarHBondContact O-CB 3.32Å; Y508-N511 PolarHBondContact O-N 3.18Å; Y508-N511 VanDerWaalsContact O-N 3.09Å; Y508-E512 PolarHBondContact O-N 3.18Å
509K75Confident72.4Confident29 Ų2968.3 Ų68.313%0.12636%0.356CS..Hα-helixtrans-60.5-39.4176.8-85.6-75.1175.5-153.70112L317 Q505 F506 N511 E512 L513 L540L317-K509 HydrophobicContact CD1-CD 4.09Å; L317-K509 HydrophobicContact CD1-CG 3.39Å; L317-K509 HydrophobicContact CD2-CD 4.25Å; L317-K509 HydrophobicContact CD2-CG 4.15Å; L317-K509 HydrophobicContact CG-CD 4.38Å; L317-K509 VanDerWaalsContact CG-CE 3.49Å; L317-K509 HydrophobicContact CG-CG 4.16Å; Q505-K509 PolarHBondContact O-N 2.83Å; F506-K509 PolarHBondContact O-N 2.75Å; K509-N511 VanDerWaalsContact C-N 3.29Å; K509-N511 PolarHBondContact O-N 3.08Å; K509-E512 WeakPolarHBondContact CD-OE2 3.45Å; K509-E512 IonicContact NZ-OE1 3.52Å; K509-E512 IonicContact NZ-OE2 3.75Å; K509-E512 PolarHBondContact NZ-OE2 3.15Å; K509-E512 WeakPolarHBondContact O-CB 3.39Å; K509-E512 PolarHBondContact O-N 3.4Å; K509-L513 VanDerWaalsContact O-CG 3.25Å; K509-L513 WeakPolarHBondContact O-CG 3.38Å; K509-L513 PolarHBondContact O-N 3.11Å; K509-L513 VanDerWaalsContact O-N 3.1Å; K509-L540 HydrophobicContact CB-CD2 4.14Å; K509-L540 HydrophobicContact CG-CD2 4.03Å
510R74.1Confident71.3Confident95 Ų9570.4 Ų70.436%0.35837%0.366SS..Hα-helixtrans-59.4-40.9174.5-176.9-178.9178.1-168.51111.9F506 D507 Y508 L513 Y567 S570F506-R510 WeakPolarHBondContact O-CB 3.49Å; F506-R510 PolarHBondContact O-N 3.32Å; D507-R510 PolarHBondContact O-N 3.13Å; Y508-R510 VanDerWaalsContact C-N 3.28Å; Y508-R510 PolarHBondContact O-N 2.91Å; R510-L513 PolarHBondContact O-N 2.9Å; R510-Y567 HydrophobicContact CB-CD2 4.18Å; R510-Y567 HydrophobicContact CB-CE2 4.01Å; R510-S570 VanDerWaalsContact CZ-CB 3.48Å; R510-S570 PolarHBondContact NE-OG 2.97Å; R510-S570 VanDerWaalsContact NH2-CB 3.3Å; R510-S570 PolarHBondContact NH2-OG 3.41Å
511N73.3Confident70.5Confident108 Ų10871.6 Ų71.658%0.57837%0.373SS*.Hα-helixtrans-70-32.4177.4-69.4-32.9000112.8D507 Y508 K509 L513 N514D507-N511 VanDerWaalsContact O-CG 3.24Å; D507-N511 PolarHBondContact O-N 3.26Å; D507-N511 PolarHBondContact O-ND2 3.26Å; D507-N511 VanDerWaalsContact O-ND2 3.1Å; Y508-N511 WeakPolarHBondContact O-CB 3.32Å; Y508-N511 PolarHBondContact O-N 3.18Å; Y508-N511 VanDerWaalsContact O-N 3.09Å; K509-N511 VanDerWaalsContact C-N 3.29Å; K509-N511 PolarHBondContact O-N 3.08Å; N511-L513 VanDerWaalsContact C-N 3.31Å; N511-N514 PolarHBondContact O-ND2 3.17Å
512E71.4Confident69.9Low113 Ų11370.7 Ų70.753%0.52837%0.374SS..Hα-helixtrans-65.6-34.2174-163179.817900111.7Y508 K509 N514Y508-E512 PolarHBondContact O-N 3.18Å; K509-E512 WeakPolarHBondContact CD-OE2 3.45Å; K509-E512 IonicContact NZ-OE1 3.52Å; K509-E512 IonicContact NZ-OE2 3.75Å; K509-E512 PolarHBondContact NZ-OE2 3.15Å; K509-E512 WeakPolarHBondContact O-CB 3.39Å; K509-E512 PolarHBondContact O-N 3.4Å; E512-N514 PolarHBondContact O-N 3.11Å; E512-N514 VanDerWaalsContact O-N 3.13Å
513L64.6Low69.2Low22 Ų2272.9 Ų72.912%0.11539%0.39CS..THydrogen-bonded Turntrans-79.415.1-176.9-65.4168.3000115.2K509 R510 N511 I515 D532 V533 Y567K509-L513 VanDerWaalsContact O-CG 3.25Å; K509-L513 WeakPolarHBondContact O-CG 3.38Å; K509-L513 PolarHBondContact O-N 3.11Å; K509-L513 VanDerWaalsContact O-N 3.1Å; R510-L513 PolarHBondContact O-N 2.9Å; N511-L513 VanDerWaalsContact C-N 3.31Å; L513-I515 VanDerWaalsContact C-N 3.32Å; L513-I515 PolarHBondContact O-N 3.49Å; L513-D532 WeakPolarHBondContact CD2-O 3.37Å; L513-V533 HydrophobicContact CD2-CG2 4.07Å; L513-Y567 HydrophobicContact CD1-CE2 4.45Å; L513-Y567 WeakPolarHBondContact CD1-OH 3.41Å
514N61.7Low68.6Low104 Ų10474.3 Ų74.356%0.55639%0.394SS*.  trans-75.282.4173.9-79.7-38.3000111.4N511 E512 T516N511-N514 PolarHBondContact O-ND2 3.17Å; E512-N514 PolarHBondContact O-N 3.11Å; E512-N514 VanDerWaalsContact O-N 3.13Å; N514-T516 PolarHBondContact O-N 3.34Å; N514-T516 VanDerWaalsContact O-N 3.12Å
515I62.3Low68.2Low29 Ų2967.3 Ų67.315%0.14936%0.364CS..  trans-66.7110.7170-57.4175000108.2L513 V517 L529 V533 W578L513-I515 VanDerWaalsContact C-N 3.32Å; L513-I515 PolarHBondContact O-N 3.49Å; I515-V517 WeakPolarHBondContact O-CG2 3.5Å; I515-V517 PolarHBondContact O-N 3.34Å; I515-V517 VanDerWaalsContact O-N 3.08Å; I515-L529 HydrophobicContact CD1-CD2 3.58Å; I515-L529 HydrophobicContact CD1-CG 4.17Å; I515-V533 HydrophobicContact CD1-CG2 3.94Å; I515-W578 HydrophobicContact CB-CZ2 4.06Å; I515-W578 HydrophobicContact CD1-CH2 4.04Å; I515-W578 HydrophobicContact CD1-CZ2 3.99Å; I515-W578 HydrophobicContact CG1-CZ2 4.19Å
516T58.7Low67.9Low116 Ų11667.1 Ų67.171%0.71236%0.364SS*.  trans-68108.2173.9530000110N514 G518N514-T516 PolarHBondContact O-N 3.34Å; N514-T516 VanDerWaalsContact O-N 3.12Å; T516-G518 PolarHBondContact O-N 2.85Å
517V59.4Low67.4Low40 Ų4071.9 Ų71.924%0.24239%0.387CS..THydrogen-bonded Turntrans-74.314.6-171.3-172.50000113.5I515 W581I515-V517 WeakPolarHBondContact O-CG2 3.5Å; I515-V517 PolarHBondContact O-N 3.34Å; I515-V517 VanDerWaalsContact O-N 3.08Å; V517-W581 HydrophobicContact CG1-CB 3.85Å; V517-W581 HydrophobicContact CG1-CD2 3.16Å; V517-W581 HydrophobicContact CG1-CE3 3.78Å; V517-W581 HydrophobicContact CG1-CG 3.16Å; V517-W581 HydrophobicContact CG1-CZ2 4.02Å; V517-W581 HydrophobicContact CG1-CZ3 4.45Å; V517-W581 VanDerWaalsContact CG1-NE1 3.33Å; V517-W581 VanDerWaalsContact O-CE2 3.25Å; V517-W581 WeakPolarHBondContact O-CZ2 3.34Å; V517-W581 PolarHBondContact O-NE1 3.37Å
518G55Low67.1Low55 Ų5572.8 Ų72.857%0.56739%0.387SS*.THydrogen-bonded Turntrans-77.6-42.5-161.200000116.9T516T516-G518 PolarHBondContact O-N 2.85Å
519N53.6Low67Low162 Ų16267.9 Ų67.987%0.86637%0.368SS*.SBendtrans-147.810.2-161.2-85.4-11.6000115.9
520N60.4Low67Low54 Ų5469.3 Ų69.329%0.28938%0.377SS..  trans-96.8146.9-169.3-61.8-15.9000112.2V525N520-V525 HydrophobicContact CB-CG2 3.65Å
521N65.4Low66.8Low107 Ų10770.3 Ų70.357%0.57238%0.384SS*.  trans-60145.7172.1-71.3-31.8000109.9S523 D524 V525N521-S523 PolarHBondContact O-N 3Å; N521-S523 VanDerWaalsContact O-N 3.12Å; N521-D524 PolarHBondContact O-N 3.44Å; N521-V525 PolarHBondContact O-N 2.84Å
522P67.3Low66.6Low40 Ų4069.1 Ų69.126%0.2638%0.377SS..Hα-helixtrans-57.1-32.4-179.822.8-33.3000112.1L526 W603P522-L526 VanDerWaalsContact O-CB 3.27Å; P522-L526 WeakPolarHBondContact O-CB 3.48Å; P522-L526 PolarHBondContact O-N 3.06Å; P522-W603 HydrophobicContact CB-CE3 4.5Å
523S69.1Low66.7Low52 Ų5263.8 Ų63.836%0.36435%0.353SS..Hα-helixtrans-60.8-47.1174.7-165.10000113.3N521 V525 L526 E527 W603N521-S523 PolarHBondContact O-N 3Å; N521-S523 VanDerWaalsContact O-N 3.12Å; S523-V525 VanDerWaalsContact C-N 3.3Å; S523-V525 PolarHBondContact O-N 3.22Å; S523-L526 WeakPolarHBondContact O-CB 3.27Å; S523-L526 PolarHBondContact O-N 2.94Å; S523-E527 PolarHBondContact O-N 3.1Å; S523-W603 WeakPolarHBondContact OG-CH2 3.29Å
524D71.2Confident67.1Low71 Ų7162.8 Ų62.838%0.3835%0.347SS..Hα-helixtrans-70.6-34.1-175.8-56.3-21.5000110.6N521 K528N521-D524 PolarHBondContact O-N 3.44Å; D524-K528 WeakPolarHBondContact O-CB 3.17Å; D524-K528 VanDerWaalsContact O-CG 3.27Å; D524-K528 WeakPolarHBondContact O-CG 3.4Å; D524-K528 PolarHBondContact O-N 3.01Å
525V72Confident67.8Low6 Ų661.5 Ų61.54%0.03634%0.34CS..Hα-helixtrans-67-44.4173.2179.20000109.9N520 N521 S523 E527 K528 L529 W581N520-V525 HydrophobicContact CB-CG2 3.65Å; N521-V525 PolarHBondContact O-N 2.84Å; S523-V525 VanDerWaalsContact C-N 3.3Å; S523-V525 PolarHBondContact O-N 3.22Å; V525-E527 PolarHBondContact O-N 3.23Å; V525-K528 PolarHBondContact O-N 3.22Å; V525-L529 HydrophobicContact CG1-CD1 3.89Å; V525-L529 HydrophobicContact CG1-CG 4.19Å; V525-L529 WeakPolarHBondContact O-CB 3.26Å; V525-L529 WeakPolarHBondContact O-CG 3.32Å; V525-L529 PolarHBondContact O-N 3.21Å; V525-W581 HydrophobicContact CG1-CZ3 4.42Å; V525-W581 HydrophobicContact CG2-CH2 4.05Å; V525-W581 HydrophobicContact CG2-CZ3 4.24Å
526L71.7Confident68.6Low25 Ų2562 Ų6213%0.13135%0.346CS..Hα-helixtrans-62-42.9-179.3-159.676.7000112.6P522 S523 L529 N530 W603 K606 F607 L610P522-L526 VanDerWaalsContact O-CB 3.27Å; P522-L526 WeakPolarHBondContact O-CB 3.48Å; P522-L526 PolarHBondContact O-N 3.06Å; S523-L526 WeakPolarHBondContact O-CB 3.27Å; S523-L526 PolarHBondContact O-N 2.94Å; L526-L529 PolarHBondContact O-N 3.29Å; L526-N530 PolarHBondContact O-N 3.26Å; L526-W603 HydrophobicContact CD2-CE3 4.36Å; L526-W603 HydrophobicContact CD2-CZ3 4.06Å; L526-K606 HydrophobicContact CD2-CB 3.7Å; L526-K606 HydrophobicContact CD2-CD 4.27Å; L526-F607 HydrophobicContact CD1-CB 4.09Å; L526-F607 HydrophobicContact CD1-CD2 3.78Å; L526-F607 HydrophobicContact CD1-CG 4.42Å; L526-L610 HydrophobicContact CD1-CD1 3.42Å; L526-L610 VanDerWaalsContact CD1-CD1 3.42Å; L526-L610 HydrophobicContact CD1-CG 4.48Å; L526-L610 HydrophobicContact CD2-CD1 4.17Å; L526-L610 HydrophobicContact CG-CD1 3.4Å; L526-L610 VanDerWaalsContact CG-CD1 3.4Å
527E71.6Confident69.7Low104 Ų10456.6 Ų56.649%0.48631%0.312SS..Hα-helixtrans-67-41177.8-168.2-179.9170.600111.9S523 V525 N530 K531S523-E527 PolarHBondContact O-N 3.1Å; V525-E527 PolarHBondContact O-N 3.23Å; E527-N530 PolarHBondContact O-N 3.44Å; E527-K531 HydrophobicContact CG-CD 4.28Å; E527-K531 PolarHBondContact O-N 3.39Å; E527-K531 IonicContact OE1-NZ 3.75Å; E527-K531 PolarHBondContact OE1-NZ 2.92Å
528K74Confident70.8Confident93 Ų9355.1 Ų55.140%0.40430%0.303SS..Hα-helixtrans-64.4-40.5173.8-74.8179-179.4-1770112.1D524 V525 N530 D532D524-K528 WeakPolarHBondContact O-CB 3.17Å; D524-K528 VanDerWaalsContact O-CG 3.27Å; D524-K528 WeakPolarHBondContact O-CG 3.4Å; D524-K528 PolarHBondContact O-N 3.01Å; V525-K528 PolarHBondContact O-N 3.22Å; K528-N530 VanDerWaalsContact C-N 3.34Å; K528-N530 PolarHBondContact O-N 3.25Å; K528-D532 WeakPolarHBondContact O-CA 3.4Å; K528-D532 WeakPolarHBondContact O-CB 3.31Å; K528-D532 PolarHBondContact O-N 3.27Å
529L75.2Confident72Confident0 Ų053.7 Ų53.70%028%0.284CS..Iπ-helixtrans-60.7-45.4175.7-73.9173.3000111.2I515 V525 L526 V533 V534 W575 W578 F607I515-L529 HydrophobicContact CD1-CD2 3.58Å; I515-L529 HydrophobicContact CD1-CG 4.17Å; V525-L529 HydrophobicContact CG1-CD1 3.89Å; V525-L529 HydrophobicContact CG1-CG 4.19Å; V525-L529 WeakPolarHBondContact O-CB 3.26Å; V525-L529 WeakPolarHBondContact O-CG 3.32Å; V525-L529 PolarHBondContact O-N 3.21Å; L526-L529 PolarHBondContact O-N 3.29Å; L529-V533 HydrophobicContact CD2-CG2 3.97Å; L529-V533 WeakPolarHBondContact O-CA 3.28Å; L529-V533 VanDerWaalsContact O-CB 3.24Å; L529-V533 WeakPolarHBondContact O-CB 3.45Å; L529-V533 PolarHBondContact O-N 3.27Å; L529-V534 PolarHBondContact O-N 3.18Å; L529-W575 HydrophobicContact CB-CH2 4.34Å; L529-W575 HydrophobicContact CD2-CZ3 4.32Å; L529-W578 HydrophobicContact CD1-CE3 4.43Å; L529-W578 HydrophobicContact CD2-CD2 4.01Å; L529-W578 HydrophobicContact CD2-CE3 3.32Å; L529-W578 HydrophobicContact CD2-CH2 3.59Å; L529-W578 HydrophobicContact CD2-CZ2 4.22Å; L529-W578 HydrophobicContact CD2-CZ3 3.1Å; L529-F607 HydrophobicContact CD1-CD2 4.35Å; L529-F607 HydrophobicContact CD1-CE2 3.71Å
530N74.4Confident73.4Confident59 Ų5946.5 Ų46.532%0.31625%0.246SC..Iπ-helixtrans-66-53179.8-167.423.8000112.4L526 E527 K528 I535 L610L526-N530 PolarHBondContact O-N 3.26Å; E527-N530 PolarHBondContact O-N 3.44Å; K528-N530 VanDerWaalsContact C-N 3.34Å; K528-N530 PolarHBondContact O-N 3.25Å; N530-I535 PolarHBondContact O-N 3.06Å; N530-L610 HydrophobicContact CB-CD1 4.13Å; N530-L610 HydrophobicContact CB-CD2 3.77Å
531K71Confident74.7Confident117 Ų11744 Ų4451%0.50923%0.232SC..Iπ-helixtrans-71.6-50.7-176.5-75.2178.9175.7166.90113E527E527-K531 HydrophobicContact CG-CD 4.28Å; E527-K531 PolarHBondContact O-N 3.39Å; E527-K531 IonicContact OE1-NZ 3.75Å; E527-K531 PolarHBondContact OE1-NZ 2.92Å
532D68.2Low75.5Confident83 Ų8340.5 Ų40.544%0.44421%0.211SC..Iπ-helixtrans-88.5-27.4-167-54.8-27.7000112L513 K528 S536L513-D532 WeakPolarHBondContact CD2-O 3.37Å; K528-D532 WeakPolarHBondContact O-CA 3.4Å; K528-D532 WeakPolarHBondContact O-CB 3.31Å; K528-D532 PolarHBondContact O-N 3.27Å; D532-S536 WeakPolarHBondContact O-CB 3.19Å
533V73Confident76.1Confident1 Ų139.9 Ų39.91%0.00621%0.206CC..Iπ-helixtrans-102.4-63.8-178.4-1700000111L513 I515 L529 S537 L571 W575 W578L513-V533 HydrophobicContact CD2-CG2 4.07Å; I515-V533 HydrophobicContact CD1-CG2 3.94Å; L529-V533 HydrophobicContact CD2-CG2 3.97Å; L529-V533 WeakPolarHBondContact O-CA 3.28Å; L529-V533 VanDerWaalsContact O-CB 3.24Å; L529-V533 WeakPolarHBondContact O-CB 3.45Å; L529-V533 PolarHBondContact O-N 3.27Å; V533-S537 WeakPolarHBondContact O-CB 3.31Å; V533-S537 PolarHBondContact O-N 3.17Å; V533-S537 PolarHBondContact O-OG 3Å; V533-L571 HydrophobicContact CG1-CD1 3.79Å; V533-L571 HydrophobicContact CG1-CD2 4.46Å; V533-L571 HydrophobicContact CG1-CG 4.17Å; V533-W575 HydrophobicContact CB-CZ3 4.34Å; V533-W575 HydrophobicContact CG1-CE3 4.45Å; V533-W575 HydrophobicContact CG1-CZ3 3.93Å; V533-W578 HydrophobicContact CG2-CH2 4.2Å
534V75Confident76.8Confident0 Ų037.7 Ų37.70%019%0.19CC..Iπ-helixtrans-60-60.9-172.1-177.80000111.1L529 S536 I538 W575 L614L529-V534 PolarHBondContact O-N 3.18Å; V534-S536 PolarHBondContact O-N 3.37Å; V534-I538 HydrophobicContact CG1-CD1 3.84Å; V534-I538 WeakPolarHBondContact O-CB 3.43Å; V534-I538 WeakPolarHBondContact O-CD1 3.21Å; V534-I538 VanDerWaalsContact O-CG1 3.3Å; V534-I538 WeakPolarHBondContact O-CG1 3.35Å; V534-I538 PolarHBondContact O-N 3.05Å; V534-I538 VanDerWaalsContact O-N 3.11Å; V534-W575 HydrophobicContact CG2-CH2 3.69Å; V534-W575 HydrophobicContact CG2-CZ3 4.17Å; V534-L614 HydrophobicContact CB-CD1 4.38Å; V534-L614 HydrophobicContact CG1-CB 4.43Å; V534-L614 HydrophobicContact CG1-CD1 4.08Å; V534-L614 HydrophobicContact CG2-CB 4.28Å; V534-L614 HydrophobicContact CG2-CD1 4.13Å
535I75.7Confident77.3Confident78 Ų7834.3 Ų34.340%0.417%0.172SC..Iπ-helixtrans-65.2-43.5-174.8-62.5172.1000111.2N530 S539N530-I535 PolarHBondContact O-N 3.06Å; I535-S539 WeakPolarHBondContact O-CB 3.48Å; I535-S539 PolarHBondContact O-N 3.5Å
536S79.1Confident77.6Confident40 Ų4037.2 Ų37.228%0.2819%0.185SC..Hα-helixtrans-66.2-46.6-177.7-170.90000112.5D532 V534 L540D532-S536 WeakPolarHBondContact O-CB 3.19Å; V534-S536 PolarHBondContact O-N 3.37Å; S536-L540 VanDerWaalsContact O-CB 3.3Å; S536-L540 WeakPolarHBondContact O-CB 3.37Å; S536-L540 PolarHBondContact O-N 3.36Å
537S81.7Confident77.9Confident1 Ų137.1 Ų37.11%0.00719%0.185CC..Hα-helixtrans-65.5-40.7179.3-65.70000111.6V533 L540 F541 Y567 L571V533-S537 WeakPolarHBondContact O-CB 3.31Å; V533-S537 PolarHBondContact O-N 3.17Å; V533-S537 PolarHBondContact O-OG 3Å; S537-L540 WeakPolarHBondContact O-CB 3.4Å; S537-L540 PolarHBondContact O-N 2.89Å; S537-F541 WeakPolarHBondContact O-CD1 3.31Å; S537-F541 VanDerWaalsContact O-CG 3.28Å; S537-F541 WeakPolarHBondContact O-CG 3.48Å; S537-F541 PolarHBondContact O-N 3.38Å; S537-Y567 PolarHBondContact OG-OH 2.91Å; S537-L571 WeakPolarHBondContact OG-CD1 3.29Å
538I82.1Confident78.4Confident9 Ų932.2 Ų32.25%0.04616%0.162CC..Hα-helixtrans-72.9-43.1-178.8-68.1168.2000110.6V534 L540 F541 Y542 L614 Q617V534-I538 HydrophobicContact CG1-CD1 3.84Å; V534-I538 WeakPolarHBondContact O-CB 3.43Å; V534-I538 WeakPolarHBondContact O-CD1 3.21Å; V534-I538 VanDerWaalsContact O-CG1 3.3Å; V534-I538 WeakPolarHBondContact O-CG1 3.35Å; V534-I538 PolarHBondContact O-N 3.05Å; V534-I538 VanDerWaalsContact O-N 3.11Å; I538-L540 VanDerWaalsContact C-N 3.26Å; I538-L540 PolarHBondContact O-N 3.34Å; I538-F541 WeakPolarHBondContact O-CB 3.19Å; I538-F541 PolarHBondContact O-N 2.96Å; I538-Y542 HydrophobicContact CG2-CD2 3.8Å; I538-Y542 HydrophobicContact CG2-CE2 3.54Å; I538-Y542 VanDerWaalsContact O-CD2 3.25Å; I538-Y542 WeakPolarHBondContact O-CD2 3.29Å; I538-Y542 PolarHBondContact O-N 3.45Å; I538-Y542 VanDerWaalsContact O-N 3.07Å; I538-L614 HydrophobicContact CD1-CD1 4.13Å; I538-Q617 HydrophobicContact CD1-CB 3.45Å; I538-Q617 VanDerWaalsContact CD1-CB 3.45Å; I538-Q617 HydrophobicContact CD1-CG 4.26Å
539S81.1Confident78.4Confident25 Ų2529.1 Ų29.118%0.17515%0.148CC..Hα-helixtrans-54.5-45170.3-173.10000111I535 F541 Y542 D543I535-S539 WeakPolarHBondContact O-CB 3.48Å; I535-S539 PolarHBondContact O-N 3.5Å; S539-F541 VanDerWaalsContact C-N 3.28Å; S539-F541 PolarHBondContact O-N 3.47Å; S539-Y542 PolarHBondContact O-N 3.48Å; S539-D543 VanDerWaalsContact O-CB 3.3Å; S539-D543 WeakPolarHBondContact O-CB 3.32Å; S539-D543 PolarHBondContact O-N 2.92Å; S539-D543 PolarHBondContact OG-OD2 2.99Å
540L83.4Confident78.2Confident12 Ų1233.2 Ų33.26%0.06317%0.168CC..Hα-helixtrans-59.3-38.2177.1-178.467.6000112F506 K509 S536 S537 I538 T544F506-L540 HydrophobicContact CD1-CD2 4.42Å; F506-L540 HydrophobicContact CD2-CD2 4.37Å; F506-L540 HydrophobicContact CE1-CD2 4.28Å; F506-L540 HydrophobicContact CE2-CD2 4.21Å; F506-L540 HydrophobicContact CE2-CG 4.13Å; F506-L540 HydrophobicContact CG-CD2 4.49Å; F506-L540 HydrophobicContact CZ-CD2 4.17Å; F506-L540 HydrophobicContact CZ-CG 4.07Å; K509-L540 HydrophobicContact CB-CD2 4.14Å; K509-L540 HydrophobicContact CG-CD2 4.03Å; S536-L540 VanDerWaalsContact O-CB 3.3Å; S536-L540 WeakPolarHBondContact O-CB 3.37Å; S536-L540 PolarHBondContact O-N 3.36Å; S537-L540 WeakPolarHBondContact O-CB 3.4Å; S537-L540 PolarHBondContact O-N 2.89Å; I538-L540 VanDerWaalsContact C-N 3.26Å; I538-L540 PolarHBondContact O-N 3.34Å; L540-T544 VanDerWaalsContact O-CB 3.23Å; L540-T544 WeakPolarHBondContact O-CB 3.3Å; L540-T544 PolarHBondContact O-N 2.83Å; L540-T544 PolarHBondContact O-OG1 3.34Å
541F86.2Confident78Confident0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-65.7-49.3177.2-62.5-11.7000111.9F506 S537 I538 S539 T544 I545 I564 Y567 W568 F621 M730F506-F541 AromaticContact CE1-CD1 3.83Å; F506-F541 HydrophobicContact CE1-CD1 3.83Å; F506-F541 AromaticContact CE1-CE1 3.7Å; F506-F541 HydrophobicContact CE1-CE1 3.7Å; F506-F541 HydrophobicContact CZ-CD1 4.06Å; F506-F541 HydrophobicContact CZ-CE1 4.39Å; S537-F541 WeakPolarHBondContact O-CD1 3.31Å; S537-F541 VanDerWaalsContact O-CG 3.28Å; S537-F541 WeakPolarHBondContact O-CG 3.48Å; S537-F541 PolarHBondContact O-N 3.38Å; I538-F541 WeakPolarHBondContact O-CB 3.19Å; I538-F541 PolarHBondContact O-N 2.96Å; S539-F541 VanDerWaalsContact C-N 3.28Å; S539-F541 PolarHBondContact O-N 3.47Å; F541-T544 PolarHBondContact O-N 3.39Å; F541-I545 WeakPolarHBondContact O-CG1 3.39Å; F541-I545 PolarHBondContact O-N 3.06Å; F541-I564 HydrophobicContact CB-CD1 4.48Å; F541-I564 HydrophobicContact CD1-CG1 4.17Å; F541-I564 HydrophobicContact CD1-CG2 4.06Å; F541-I564 HydrophobicContact CD2-CG2 4.11Å; F541-I564 HydrophobicContact CE1-CG2 3.99Å; F541-I564 HydrophobicContact CE2-CG2 4.02Å; F541-I564 HydrophobicContact CG-CG2 4.14Å; F541-I564 HydrophobicContact CZ-CG2 3.95Å; F541-Y567 AromaticContact CE1-CD1 3.51Å; F541-Y567 HydrophobicContact CE1-CD1 3.51Å; F541-Y567 AromaticContact CE1-CE1 3.68Å; F541-Y567 HydrophobicContact CE1-CE1 3.68Å; F541-Y567 AromaticContact CZ-CD1 3.63Å; F541-Y567 HydrophobicContact CZ-CD1 3.63Å; F541-Y567 AromaticContact CZ-CE1 3.81Å; F541-Y567 HydrophobicContact CZ-CE1 3.81Å; F541-W568 HydrophobicContact CE2-CD2 4.45Å; F541-W568 AromaticContact CE2-CE3 3.5Å; F541-W568 HydrophobicContact CE2-CE3 3.5Å; F541-W568 VanDerWaalsContact CE2-CE3 3.5Å; F541-W568 AromaticContact CE2-CZ3 3.69Å; F541-W568 HydrophobicContact CE2-CZ3 3.69Å; F541-W568 AromaticContact CZ-CE3 3.67Å; F541-W568 HydrophobicContact CZ-CE3 3.67Å; F541-W568 HydrophobicContact CZ-CZ3 4.18Å; F541-F621 HydrophobicContact CB-CD2 3.98Å; F541-F621 HydrophobicContact CB-CE1 4.25Å; F541-F621 HydrophobicContact CB-CE2 3.51Å; F541-F621 HydrophobicContact CB-CZ 3.67Å; F541-F621 HydrophobicContact CD2-CD1 4.33Å; F541-F621 HydrophobicContact CD2-CE1 4.32Å; F541-F621 HydrophobicContact CG-CZ 4.41Å; F541-M730 HydrophobicContact CD2-CE 4.3Å; F541-M730 HydrophobicContact CE2-CE 4.02Å
542Y83.3Confident78.1Confident34 Ų3425.5 Ų25.513%0.13313%0.132CC..Hα-helixtrans-58.4-52.3176.1-77.9-79.4000110.6I538 S539 T544 I545 H546 F621 Y624I538-Y542 HydrophobicContact CG2-CD2 3.8Å; I538-Y542 HydrophobicContact CG2-CE2 3.54Å; I538-Y542 VanDerWaalsContact O-CD2 3.25Å; I538-Y542 WeakPolarHBondContact O-CD2 3.29Å; I538-Y542 PolarHBondContact O-N 3.45Å; I538-Y542 VanDerWaalsContact O-N 3.07Å; S539-Y542 PolarHBondContact O-N 3.48Å; Y542-T544 VanDerWaalsContact C-N 3.29Å; Y542-T544 PolarHBondContact O-N 2.94Å; Y542-I545 PolarHBondContact O-N 3.5Å; Y542-I545 VanDerWaalsContact O-N 3.12Å; Y542-H546 PolarHBondContact O-CD2 2.98Å; Y542-H546 PolarHBondContact O-N 2.9Å; Y542-F621 HydrophobicContact CD1-CD2 4.25Å; Y542-F621 HydrophobicContact CD2-CD2 4.18Å; Y542-F621 HydrophobicContact CE1-CD2 4.08Å; Y542-F621 HydrophobicContact CE2-CB 4.33Å; Y542-F621 AromaticContact CE2-CD2 3.98Å; Y542-F621 HydrophobicContact CE2-CD2 3.98Å; Y542-F621 HydrophobicContact CG-CD2 4.29Å; Y542-F621 AromaticContact CZ-CD2 3.92Å; Y542-F621 WeakPolarHBondContact OH-CA 3.28Å; Y542-Y624 AromaticContact CD1-CD1 3.64Å; Y542-Y624 HydrophobicContact CD1-CD1 3.64Å; Y542-Y624 AromaticContact CD1-CE1 3.58Å; Y542-Y624 HydrophobicContact CD1-CE1 3.58Å; Y542-Y624 HydrophobicContact CD1-CG 4.31Å; Y542-Y624 AromaticContact CE1-CD1 3.34Å; Y542-Y624 HydrophobicContact CE1-CD1 3.34Å; Y542-Y624 HydrophobicContact CE1-CD2 4.27Å; Y542-Y624 AromaticContact CE1-CE1 3.77Å; Y542-Y624 HydrophobicContact CE1-CE1 3.77Å; Y542-Y624 AromaticContact CE1-CG 3.61Å; Y542-Y624 HydrophobicContact CE1-CG 3.61Å
543D79Confident78.3Confident28 Ų2822 Ų2215%0.1512%0.116CC..Hα-helixtrans-56.3-42.4-179.8-69.2-16.7000111.9L314 S539 H546 L547L314-D543 HydrophobicContact CD2-CB 3.59Å; S539-D543 VanDerWaalsContact O-CB 3.3Å; S539-D543 WeakPolarHBondContact O-CB 3.32Å; S539-D543 PolarHBondContact O-N 2.92Å; S539-D543 PolarHBondContact OG-OD2 2.99Å; D543-H546 PolarHBondContact O-N 2.93Å; D543-L547 VanDerWaalsContact O-CB 3.3Å; D543-L547 WeakPolarHBondContact O-CB 3.5Å; D543-L547 PolarHBondContact O-N 3.31Å
544T83.3Confident78.4Confident5 Ų522 Ų223%0.03112%0.115CC..Hα-helixtrans-66.7-41.3178.7-59.40000112I502 F506 L540 F541 Y542 L547 C548 I560I502-T544 HydrophobicContact CD1-CG2 4.11Å; I502-T544 HydrophobicContact CG1-CG2 4.29Å; I502-T544 HydrophobicContact CG2-CG2 3.6Å; F506-T544 HydrophobicContact CE2-CG2 3.9Å; F506-T544 WeakPolarHBondContact CE2-OG1 3.43Å; F506-T544 HydrophobicContact CZ-CG2 4.21Å; L540-T544 VanDerWaalsContact O-CB 3.23Å; L540-T544 WeakPolarHBondContact O-CB 3.3Å; L540-T544 PolarHBondContact O-N 2.83Å; L540-T544 PolarHBondContact O-OG1 3.34Å; F541-T544 PolarHBondContact O-N 3.39Å; Y542-T544 VanDerWaalsContact C-N 3.29Å; Y542-T544 PolarHBondContact O-N 2.94Å; T544-L547 PolarHBondContact O-N 3.47Å; T544-C548 WeakPolarHBondContact O-CB 3.5Å; T544-C548 PolarHBondContact O-N 3.15Å; T544-I560 HydrophobicContact CG2-CG2 3.67Å
545I83.2Confident78.5Confident0 Ų022.2 Ų22.20%012%0.117CC..Hα-helixtrans-65.2-47.5176.1-68.7-67.3000109.9F541 Y542 L547 C548 F549 I560 L561 I564 F621 Y624 V625F541-I545 WeakPolarHBondContact O-CG1 3.39Å; F541-I545 PolarHBondContact O-N 3.06Å; Y542-I545 PolarHBondContact O-N 3.5Å; Y542-I545 VanDerWaalsContact O-N 3.12Å; I545-L547 VanDerWaalsContact C-N 3.33Å; I545-L547 PolarHBondContact O-N 2.92Å; I545-C548 VanDerWaalsContact O-CB 3.29Å; I545-C548 WeakPolarHBondContact O-CB 3.47Å; I545-C548 PolarHBondContact O-N 3.37Å; I545-C548 VanDerWaalsContact O-N 3.11Å; I545-F549 HydrophobicContact CG2-CD2 3.87Å; I545-F549 HydrophobicContact CG2-CE2 3.69Å; I545-F549 VanDerWaalsContact O-CD2 3.27Å; I545-F549 WeakPolarHBondContact O-CD2 3.18Å; I545-F549 PolarHBondContact O-N 3.26Å; I545-F549 VanDerWaalsContact O-N 3.11Å; I545-I560 HydrophobicContact CD1-CG2 4.07Å; I545-L561 HydrophobicContact CD1-CD2 4.46Å; I545-I564 HydrophobicContact CD1-CD1 4.18Å; I545-I564 HydrophobicContact CG1-CD1 4.3Å; I545-F621 HydrophobicContact CD1-CZ 4.48Å; I545-F621 HydrophobicContact CG1-CE2 3.97Å; I545-F621 HydrophobicContact CG1-CZ 3.82Å; I545-Y624 HydrophobicContact CG2-CE1 4.49Å; I545-V625 HydrophobicContact CD1-CG2 4.25Å; I545-V625 HydrophobicContact CG1-CG2 4.04Å; I545-V625 HydrophobicContact CG2-CG2 4.49Å
546H78.4Confident78.6Confident68 Ų6818.6 Ų18.632%0.31510%0.098SC..Hα-helixtrans-55.4-48175.2-81.8-85.8000111.9Y542 D543 C548 F549 E550 Y624 K628Y542-H546 PolarHBondContact O-CD2 2.98Å; Y542-H546 PolarHBondContact O-N 2.9Å; D543-H546 PolarHBondContact O-N 2.93Å; H546-C548 VanDerWaalsContact C-N 3.29Å; H546-C548 PolarHBondContact O-N 3.42Å; H546-F549 WeakPolarHBondContact O-CB 3.41Å; H546-F549 PolarHBondContact O-N 3.38Å; H546-F549 VanDerWaalsContact O-N 3.17Å; H546-E550 PolarHBondContact O-N 3.26Å; H546-E550 VanDerWaalsContact O-N 3.13Å; H546-Y624 PolarHBondContact CE1-OH 3.09Å; H546-Y624 AromaticContact NE2-CZ 3.79Å; H546-Y624 PolarHBondContact NE2-OH 3.27Å; H546-K628 PolarHBondContact CE1-NZ 2.95Å; H546-K628 PolarHBondContact ND1-NZ 3.3Å; H546-K628 VanDerWaalsContact ND1-NZ 3.18Å
547L77.6Confident78.8Confident23 Ų2316.7 Ų16.712%0.129%0.085CC..Hα-helixtrans-60.8-36.8177.1-172.566.1000112.6F306 F498 I502 D543 T544 I545 E550 E551F306-L547 HydrophobicContact CE2-CD1 3.67Å; F306-L547 HydrophobicContact CZ-CD1 3.87Å; F498-L547 HydrophobicContact CE2-CD2 4.05Å; F498-L547 HydrophobicContact CE2-CG 4.02Å; F498-L547 HydrophobicContact CZ-CB 4.36Å; F498-L547 HydrophobicContact CZ-CD2 4Å; F498-L547 HydrophobicContact CZ-CG 3.85Å; I502-L547 HydrophobicContact CD1-CD2 4.2Å; D543-L547 VanDerWaalsContact O-CB 3.3Å; D543-L547 WeakPolarHBondContact O-CB 3.5Å; D543-L547 PolarHBondContact O-N 3.31Å; T544-L547 PolarHBondContact O-N 3.47Å; I545-L547 VanDerWaalsContact C-N 3.33Å; I545-L547 PolarHBondContact O-N 2.92Å; L547-E550 PolarHBondContact O-N 3.21Å; L547-E551 HydrophobicContact CD1-CG 3.79Å; L547-E551 HydrophobicContact CG-CG 4.18Å; L547-E551 WeakPolarHBondContact O-CB 3.3Å; L547-E551 PolarHBondContact O-N 3.32Å
548C81.1Confident78.9Confident0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-62.4-43.6175.6-176.30000112.9F498 T544 I545 H546 E550 T552 G553 A554 I560F498-C548 HydrophobicContact CE1-CB 3.98Å; T544-C548 WeakPolarHBondContact O-CB 3.5Å; T544-C548 PolarHBondContact O-N 3.15Å; I545-C548 VanDerWaalsContact O-CB 3.29Å; I545-C548 WeakPolarHBondContact O-CB 3.47Å; I545-C548 PolarHBondContact O-N 3.37Å; I545-C548 VanDerWaalsContact O-N 3.11Å; H546-C548 VanDerWaalsContact C-N 3.29Å; H546-C548 PolarHBondContact O-N 3.42Å; C548-E550 VanDerWaalsContact C-N 3.3Å; C548-E550 PolarHBondContact O-N 2.79Å; C548-T552 PolarHBondContact O-N 3.02Å; C548-T552 PolarHBondContact O-OG1 3.13Å; C548-T552 PolarHBondContact SG-OG1 3.34Å; C548-G553 PolarHBondContact O-N 3.01Å; C548-A554 PolarHBondContact O-N 3.2Å; C548-I560 HydrophobicContact CB-CD1 3.29Å; C548-I560 WeakPolarHBondContact SG-CD1 3.25Å
549F74.9Confident78.9Confident28 Ų2819.3 Ų19.312%0.12310%0.097CC..Hα-helixtrans-61.3-41.9176.4-85.8-83.8000111I545 H546 G553 A554 I557 K628 W632I545-F549 HydrophobicContact CG2-CD2 3.87Å; I545-F549 HydrophobicContact CG2-CE2 3.69Å; I545-F549 VanDerWaalsContact O-CD2 3.27Å; I545-F549 WeakPolarHBondContact O-CD2 3.18Å; I545-F549 PolarHBondContact O-N 3.26Å; I545-F549 VanDerWaalsContact O-N 3.11Å; H546-F549 WeakPolarHBondContact O-CB 3.41Å; H546-F549 PolarHBondContact O-N 3.38Å; H546-F549 VanDerWaalsContact O-N 3.17Å; F549-G553 VanDerWaalsContact O-CA 3.27Å; F549-G553 WeakPolarHBondContact O-CA 3.31Å; F549-G553 PolarHBondContact O-N 3.06Å; F549-A554 HydrophobicContact CD1-CB 3.54Å; F549-A554 HydrophobicContact CE1-CB 3.45Å; F549-A554 VanDerWaalsContact CE1-CB 3.45Å; F549-A554 HydrophobicContact CG-CB 4.15Å; F549-A554 HydrophobicContact CZ-CB 3.98Å; F549-I557 HydrophobicContact CE1-CD1 4.37Å; F549-I557 HydrophobicContact CE2-CD1 3.88Å; F549-I557 HydrophobicContact CZ-CD1 3.73Å; F549-K628 HydrophobicContact CD2-CD 4.17Å; F549-K628 HydrophobicContact CE1-CG 4.28Å; F549-K628 HydrophobicContact CE2-CD 3.73Å; F549-K628 HydrophobicContact CE2-CG 3.91Å; F549-K628 HydrophobicContact CZ-CB 4.39Å; F549-K628 HydrophobicContact CZ-CD 4.04Å; F549-K628 HydrophobicContact CZ-CG 3.69Å; F549-W632 AromaticContact CD1-CD1 3.96Å; F549-W632 HydrophobicContact CD1-CG 4.14Å; F549-W632 HydrophobicContact CE1-CB 3.75Å; F549-W632 AromaticContact CE1-CD1 3.55Å; F549-W632 HydrophobicContact CE1-CD2 4.46Å; F549-W632 AromaticContact CE1-CG 3.64Å; F549-W632 HydrophobicContact CE1-CG 3.64Å
550E70.7Confident79.1Confident86 Ų8618.1 Ų18.140%0.4029%0.089SC..Hα-helixtrans-75.3-41.1-177.5-68.4-178.3-160.800113.9F306 H546 L547 C548F306-E550 WeakPolarHBondContact CE1-OE2 3.36Å; F306-E550 WeakPolarHBondContact CE2-OE2 3.19Å; F306-E550 WeakPolarHBondContact CZ-OE2 3.41Å; H546-E550 PolarHBondContact O-N 3.26Å; H546-E550 VanDerWaalsContact O-N 3.13Å; L547-E550 PolarHBondContact O-N 3.21Å; C548-E550 VanDerWaalsContact C-N 3.3Å; C548-E550 PolarHBondContact O-N 2.79Å
551E69.6Low79.2Confident12 Ų1217.8 Ų17.86%0.0569%0.087CC..Hα-helixtrans-89.1-36.4-173.7-69-64.6137.600113.4R425 F498 L547R425-E551 IonicContact CZ-OE1 3.49Å; R425-E551 IonicContact CZ-OE2 2.98Å; R425-E551 IonicContact NH1-OE1 2.75Å; R425-E551 PolarHBondContact NH1-OE1 3.43Å; R425-E551 IonicContact NH1-OE2 3.73Å; R425-E551 PolarHBondContact NH1-OE2 2.96Å; R425-E551 VanDerWaalsContact NH1-OE2 3.12Å; R425-E551 IonicContact NH2-OE1 2.93Å; R425-E551 PolarHBondContact NH2-OE1 3.38Å; R425-E551 IonicContact NH2-OE2 3.52Å; R425-E551 PolarHBondContact NH2-OE2 3.01Å; F498-E551 HydrophobicContact CD2-CB 4.38Å; F498-E551 HydrophobicContact CE2-CB 4.03Å; F498-E551 HydrophobicContact CE2-CG 4.23Å; L547-E551 HydrophobicContact CD1-CG 3.79Å; L547-E551 HydrophobicContact CG-CG 4.18Å; L547-E551 WeakPolarHBondContact O-CB 3.3Å; L547-E551 PolarHBondContact O-N 3.32Å
552T73.6Confident79.1Confident3 Ų321.2 Ų21.22%0.01811%0.105CC..Hα-helixtrans-1193.9-173.770.70000113.7L494 F498 C548 A554 I555 G556L494-T552 HydrophobicContact CG-CG2 4.45Å; F498-T552 HydrophobicContact CB-CG2 3.86Å; F498-T552 HydrophobicContact CD1-CG2 3.84Å; F498-T552 HydrophobicContact CD2-CG2 4.28Å; F498-T552 HydrophobicContact CE1-CG2 4.48Å; F498-T552 HydrophobicContact CG-CG2 3.73Å; C548-T552 PolarHBondContact O-N 3.02Å; C548-T552 PolarHBondContact O-OG1 3.13Å; C548-T552 PolarHBondContact SG-OG1 3.34Å; T552-A554 PolarHBondContact O-N 3.39Å; T552-I555 PolarHBondContact O-N 2.65Å; T552-G556 PolarHBondContact OG1-N 2.87Å
553G71.4Confident79.2Confident10 Ų1020.7 Ų20.710%0.10310%0.104CC..THydrogen-bonded Turntrans59.831.2-177.200000113.2C548 F549 I555 W632C548-G553 PolarHBondContact O-N 3.01Å; F549-G553 VanDerWaalsContact O-CA 3.27Å; F549-G553 WeakPolarHBondContact O-CA 3.31Å; F549-G553 PolarHBondContact O-N 3.06Å; G553-I555 VanDerWaalsContact C-N 3.28Å; G553-I555 PolarHBondContact O-N 3.25Å; G553-W632 PolarHBondContact O-NE1 3.1Å
554A76.4Confident79.6Confident0 Ų019.5 Ų19.50%010%0.098CC..THydrogen-bonded Turntrans731.8-179.400000116.7C548 F549 T552 G556 I557 L633C548-A554 PolarHBondContact O-N 3.2Å; F549-A554 HydrophobicContact CD1-CB 3.54Å; F549-A554 HydrophobicContact CE1-CB 3.45Å; F549-A554 VanDerWaalsContact CE1-CB 3.45Å; F549-A554 HydrophobicContact CG-CB 4.15Å; F549-A554 HydrophobicContact CZ-CB 3.98Å; T552-A554 PolarHBondContact O-N 3.39Å; A554-G556 PolarHBondContact O-N 3.26Å; A554-I557 HydrophobicContact CB-CD1 3.27Å; A554-I557 HydrophobicContact CB-CG1 4.05Å; A554-I557 WeakPolarHBondContact O-CB 3.5Å; A554-I557 WeakPolarHBondContact O-CD1 3.47Å; A554-I557 VanDerWaalsContact O-CG1 3.28Å; A554-I557 WeakPolarHBondContact O-CG1 3.44Å; A554-I557 PolarHBondContact O-N 3.22Å; A554-L633 HydrophobicContact CB-CD2 4.26Å
555I76.8Confident79.7Confident5 Ų520.9 Ų20.93%0.02610%0.104CC..THydrogen-bonded Turntrans-64.2-30.4176-61.4160.4000111.3P495 T552 G553 I557 P558 L678 L681 Q685 I693P495-I555 HydrophobicContact CG-CB 4.47Å; P495-I555 HydrophobicContact CG-CG2 3.84Å; T552-I555 PolarHBondContact O-N 2.65Å; G553-I555 VanDerWaalsContact C-N 3.28Å; G553-I555 PolarHBondContact O-N 3.25Å; I555-I557 VanDerWaalsContact C-N 3.3Å; I555-I557 PolarHBondContact O-N 3.35Å; I555-P558 WeakPolarHBondContact O-CD 3.4Å; I555-L678 HydrophobicContact CD1-CB 4.27Å; I555-L678 HydrophobicContact CD1-CD2 3.37Å; I555-L678 HydrophobicContact CD1-CG 4.42Å; I555-L678 HydrophobicContact CG1-CD2 4.1Å; I555-L681 HydrophobicContact CD1-CB 3.5Å; I555-L681 HydrophobicContact CD1-CD1 3.64Å; I555-L681 HydrophobicContact CD1-CG 4.19Å; I555-Q685 HydrophobicContact CG2-CG 3.9Å; I555-I693 HydrophobicContact CG2-CD1 4.46Å
556G78Confident79.9Confident1 Ų124.5 Ų24.51%0.0113%0.129CC..THydrogen-bonded Turntrans-76.8-5.5178.700000115.5T552 A554 F559 I560T552-G556 PolarHBondContact OG1-N 2.87Å; A554-G556 PolarHBondContact O-N 3.26Å; G556-F559 PolarHBondContact O-N 3.42Å; G556-I560 WeakPolarHBondContact O-CG1 3.43Å; G556-I560 PolarHBondContact O-N 3.3Å; G556-I560 VanDerWaalsContact O-N 3.12Å
557I84Confident80.3Confident0 Ų021.8 Ų21.80%012%0.116CC..Hα-helixtrans-54.8-46.6-174.4-71.4165.9000113F549 A554 I555 F559 I560 L561 C629 L696F549-I557 HydrophobicContact CE1-CD1 4.37Å; F549-I557 HydrophobicContact CE2-CD1 3.88Å; F549-I557 HydrophobicContact CZ-CD1 3.73Å; A554-I557 HydrophobicContact CB-CD1 3.27Å; A554-I557 HydrophobicContact CB-CG1 4.05Å; A554-I557 WeakPolarHBondContact O-CB 3.5Å; A554-I557 WeakPolarHBondContact O-CD1 3.47Å; A554-I557 VanDerWaalsContact O-CG1 3.28Å; A554-I557 WeakPolarHBondContact O-CG1 3.44Å; A554-I557 PolarHBondContact O-N 3.22Å; I555-I557 VanDerWaalsContact C-N 3.3Å; I555-I557 PolarHBondContact O-N 3.35Å; I557-F559 VanDerWaalsContact C-N 3.29Å; I557-F559 PolarHBondContact O-N 3.06Å; I557-I560 PolarHBondContact O-N 3.23Å; I557-I560 VanDerWaalsContact O-N 3.08Å; I557-L561 HydrophobicContact CG2-CD1 3.7Å; I557-L561 HydrophobicContact CG2-CG 3.86Å; I557-L561 WeakPolarHBondContact O-CG 3.34Å; I557-L561 PolarHBondContact O-N 3.03Å; I557-C629 VanDerWaalsContact CD1-SG 3.54Å; I557-L696 HydrophobicContact CG2-CD1 3.78Å
558P82.3Confident80.8Confident10 Ų1020.7 Ų20.77%0.06511%0.111CC..Hα-helixtrans-55.3-44.5-179.2-27.536.7000112.9I555 I560 L561 D562 A692 I693I555-P558 WeakPolarHBondContact O-CD 3.4Å; P558-I560 PolarHBondContact O-N 3.32Å; P558-L561 PolarHBondContact O-N 3.24Å; P558-D562 PolarHBondContact O-N 3.09Å; P558-D562 VanDerWaalsContact O-N 3.17Å; P558-A692 HydrophobicContact CB-CB 3.8Å; P558-A692 HydrophobicContact CG-CB 3.74Å; P558-I693 HydrophobicContact CG-CG1 3.93Å
559F82.8Confident81Confident56 Ų5623.6 Ų23.625%0.24613%0.126CC..Hα-helixtrans-67.2-36.1178.3-56.7-74.9000112.4P495 G556 I557 D562 I563 C689P495-F559 HydrophobicContact CB-CD2 4.26Å; P495-F559 HydrophobicContact CB-CE2 4.05Å; G556-F559 PolarHBondContact O-N 3.42Å; I557-F559 VanDerWaalsContact C-N 3.29Å; I557-F559 PolarHBondContact O-N 3.06Å; F559-D562 WeakPolarHBondContact O-CB 3.39Å; F559-D562 PolarHBondContact O-N 3.23Å; F559-I563 WeakPolarHBondContact O-CG1 3.35Å; F559-I563 PolarHBondContact O-N 3.38Å; F559-I563 VanDerWaalsContact O-N 3.14Å; F559-C689 HydrophobicContact CZ-CB 4.45Å
560I85.6Confident81.5Confident0 Ų022.9 Ų22.90%013%0.125CC..Hα-helixtrans-71.5-38.6178.5-66.9168.7000111F498 T544 I545 C548 G556 I557 P558 D562 I563 I564F498-I560 HydrophobicContact CD1-CD1 4.02Å; F498-I560 HydrophobicContact CE1-CD1 3.52Å; F498-I560 HydrophobicContact CE1-CG1 4.4Å; T544-I560 HydrophobicContact CG2-CG2 3.67Å; I545-I560 HydrophobicContact CD1-CG2 4.07Å; C548-I560 HydrophobicContact CB-CD1 3.29Å; C548-I560 WeakPolarHBondContact SG-CD1 3.25Å; G556-I560 WeakPolarHBondContact O-CG1 3.43Å; G556-I560 PolarHBondContact O-N 3.3Å; G556-I560 VanDerWaalsContact O-N 3.12Å; I557-I560 PolarHBondContact O-N 3.23Å; I557-I560 VanDerWaalsContact O-N 3.08Å; P558-I560 PolarHBondContact O-N 3.32Å; I560-D562 VanDerWaalsContact C-N 3.28Å; I560-D562 PolarHBondContact O-N 2.88Å; I560-I563 PolarHBondContact O-N 3.35Å; I560-I563 VanDerWaalsContact O-N 3.13Å; I560-I564 HydrophobicContact CG2-CD1 3.69Å; I560-I564 HydrophobicContact CG2-CG1 4.13Å; I560-I564 WeakPolarHBondContact O-CB 3.35Å; I560-I564 VanDerWaalsContact O-CG1 3.31Å; I560-I564 WeakPolarHBondContact O-CG1 3.23Å; I560-I564 PolarHBondContact O-N 3.23Å
561L85.6Confident82.3Confident4 Ų419.3 Ų19.32%0.02111%0.109CC..Hα-helixtrans-62.4-37.9174.9-69.3-178.5000111.5I545 I557 P558 Q565 V625 L696 L727I545-L561 HydrophobicContact CD1-CD2 4.46Å; I557-L561 HydrophobicContact CG2-CD1 3.7Å; I557-L561 HydrophobicContact CG2-CG 3.86Å; I557-L561 WeakPolarHBondContact O-CG 3.34Å; I557-L561 PolarHBondContact O-N 3.03Å; P558-L561 PolarHBondContact O-N 3.24Å; L561-Q565 VanDerWaalsContact O-CB 3.3Å; L561-Q565 WeakPolarHBondContact O-CB 3.46Å; L561-Q565 PolarHBondContact O-N 2.69Å; L561-V625 HydrophobicContact CD2-CG1 4.23Å; L561-L696 HydrophobicContact CD1-CD1 4.12Å; L561-L696 HydrophobicContact CD1-CD2 4.18Å; L561-L727 HydrophobicContact CD1-CD1 4.38Å; L561-L727 HydrophobicContact CD1-CD2 4.44Å; L561-L727 HydrophobicContact CD1-CG 4.38Å; L561-L727 HydrophobicContact CD2-CD2 3.92Å
562D83.2Confident83.1Confident72 Ų7219.1 Ų19.139%0.38511%0.108SC..Hα-helixtrans-60.1-44.8170.8-73.8-41.1000111.7P558 F559 I560 Q565 S566 N726P558-D562 PolarHBondContact O-N 3.09Å; P558-D562 VanDerWaalsContact O-N 3.17Å; F559-D562 WeakPolarHBondContact O-CB 3.39Å; F559-D562 PolarHBondContact O-N 3.23Å; I560-D562 VanDerWaalsContact C-N 3.28Å; I560-D562 PolarHBondContact O-N 2.88Å; D562-Q565 PolarHBondContact O-N 3.06Å; D562-S566 WeakPolarHBondContact O-CB 3.4Å; D562-S566 PolarHBondContact O-N 3.1Å; D562-N726 PolarHBondContact OD1-ND2 2.83Å
563I85.2Confident83.7Confident23 Ų2321.3 Ų21.312%0.11813%0.126CC..Hα-helixtrans-65.4-46.2179-66.3162.5000111S499 I502 F506 F559 I560 Q565 S566 Y567S499-I563 VanDerWaalsContact O-CD1 3.22Å; S499-I563 WeakPolarHBondContact O-CD1 3.46Å; I502-I563 HydrophobicContact CB-CD1 4.38Å; I502-I563 HydrophobicContact CG2-CD1 4.26Å; I502-I563 HydrophobicContact CG2-CG2 4.33Å; F506-I563 HydrophobicContact CB-CG2 3.98Å; F506-I563 HydrophobicContact CD1-CG2 3.93Å; F506-I563 HydrophobicContact CD2-CG2 4.13Å; F506-I563 HydrophobicContact CE1-CG2 4.44Å; F506-I563 HydrophobicContact CG-CG2 3.74Å; F559-I563 WeakPolarHBondContact O-CG1 3.35Å; F559-I563 PolarHBondContact O-N 3.38Å; F559-I563 VanDerWaalsContact O-N 3.14Å; I560-I563 PolarHBondContact O-N 3.35Å; I560-I563 VanDerWaalsContact O-N 3.13Å; I563-Q565 VanDerWaalsContact C-N 3.34Å; I563-Q565 PolarHBondContact O-N 3.46Å; I563-S566 PolarHBondContact O-N 3.08Å; I563-Y567 WeakPolarHBondContact O-CB 3.34Å; I563-Y567 PolarHBondContact O-N 2.64Å
564I87.1Confident84.3Confident3 Ų323.1 Ų23.12%0.01513%0.134CC..Hα-helixtrans-60.1-45.8177.7-70.6173.1000109.8F506 F541 I545 I560 Y567 W568 F621F506-I564 HydrophobicContact CE1-CG1 3.86Å; F506-I564 HydrophobicContact CZ-CG1 3.87Å; F541-I564 HydrophobicContact CB-CD1 4.48Å; F541-I564 HydrophobicContact CD1-CG1 4.17Å; F541-I564 HydrophobicContact CD1-CG2 4.06Å; F541-I564 HydrophobicContact CD2-CG2 4.11Å; F541-I564 HydrophobicContact CE1-CG2 3.99Å; F541-I564 HydrophobicContact CE2-CG2 4.02Å; F541-I564 HydrophobicContact CG-CG2 4.14Å; F541-I564 HydrophobicContact CZ-CG2 3.95Å; I545-I564 HydrophobicContact CD1-CD1 4.18Å; I545-I564 HydrophobicContact CG1-CD1 4.3Å; I560-I564 HydrophobicContact CG2-CD1 3.69Å; I560-I564 HydrophobicContact CG2-CG1 4.13Å; I560-I564 WeakPolarHBondContact O-CB 3.35Å; I560-I564 VanDerWaalsContact O-CG1 3.31Å; I560-I564 WeakPolarHBondContact O-CG1 3.23Å; I560-I564 PolarHBondContact O-N 3.23Å; I564-Y567 PolarHBondContact O-N 2.88Å; I564-W568 VanDerWaalsContact O-CB 3.29Å; I564-W568 WeakPolarHBondContact O-CB 3.47Å; I564-W568 PolarHBondContact O-N 3.43Å; I564-F621 HydrophobicContact CD1-CE1 4.37Å; I564-F621 HydrophobicContact CD1-CZ 3.9Å; I564-F621 HydrophobicContact CG2-CE1 4.27Å
565Q86.6Confident84.8Confident35 Ų3523.1 Ų23.116%0.16413%0.134CC..Hα-helixtrans-63.2-46178.1-174.3-171.1-4.800112.1L561 D562 I563 Y567 W568 D569 N726L561-Q565 VanDerWaalsContact O-CB 3.3Å; L561-Q565 WeakPolarHBondContact O-CB 3.46Å; L561-Q565 PolarHBondContact O-N 2.69Å; D562-Q565 PolarHBondContact O-N 3.06Å; I563-Q565 VanDerWaalsContact C-N 3.34Å; I563-Q565 PolarHBondContact O-N 3.46Å; Q565-Y567 VanDerWaalsContact C-N 3.29Å; Q565-Y567 PolarHBondContact O-N 3.47Å; Q565-W568 WeakPolarHBondContact O-CB 3.25Å; Q565-W568 PolarHBondContact O-N 2.89Å; Q565-W568 VanDerWaalsContact O-N 3.15Å; Q565-D569 WeakPolarHBondContact O-CB 3.38Å; Q565-D569 PolarHBondContact O-N 3.39Å; Q565-N726 PolarHBondContact OE1-OD1 2.99Å
566S86.4Confident85.2Confident76 Ų7625.6 Ų25.653%0.53115%0.146SC..Hα-helixtrans-59.3-41.8177.4179.30000112D562 I563 S570D562-S566 WeakPolarHBondContact O-CB 3.4Å; D562-S566 PolarHBondContact O-N 3.1Å; I563-S566 PolarHBondContact O-N 3.08Å; S566-S570 PolarHBondContact O-N 3.29Å; S566-S570 VanDerWaalsContact O-N 3.14Å
567Y87.2Confident85.6Confident10 Ų1030.3 Ų30.34%0.03917%0.17CC..Hα-helixtrans-65.5-43.7174.1174.6-87.3000112F506 R510 L513 S537 F541 I563 I564 Q565 S570 L571F506-Y567 HydrophobicContact CB-CD2 4.3Å; F506-Y567 HydrophobicContact CD1-CD1 4.23Å; F506-Y567 AromaticContact CD1-CD2 3.8Å; F506-Y567 HydrophobicContact CD1-CD2 3.8Å; F506-Y567 HydrophobicContact CD1-CE2 4.49Å; F506-Y567 AromaticContact CD1-CG 3.64Å; F506-Y567 HydrophobicContact CD1-CG 3.64Å; F506-Y567 HydrophobicContact CE1-CD1 4.41Å; F506-Y567 HydrophobicContact CE1-CG 4.24Å; F506-Y567 HydrophobicContact CG-CD2 4.49Å; R510-Y567 HydrophobicContact CB-CD2 4.18Å; R510-Y567 HydrophobicContact CB-CE2 4.01Å; L513-Y567 HydrophobicContact CD1-CE2 4.45Å; L513-Y567 WeakPolarHBondContact CD1-OH 3.41Å; S537-Y567 PolarHBondContact OG-OH 2.91Å; F541-Y567 AromaticContact CE1-CD1 3.51Å; F541-Y567 HydrophobicContact CE1-CD1 3.51Å; F541-Y567 AromaticContact CE1-CE1 3.68Å; F541-Y567 HydrophobicContact CE1-CE1 3.68Å; F541-Y567 AromaticContact CZ-CD1 3.63Å; F541-Y567 HydrophobicContact CZ-CD1 3.63Å; F541-Y567 AromaticContact CZ-CE1 3.81Å; F541-Y567 HydrophobicContact CZ-CE1 3.81Å; I563-Y567 WeakPolarHBondContact O-CB 3.34Å; I563-Y567 PolarHBondContact O-N 2.64Å; I564-Y567 PolarHBondContact O-N 2.88Å; Q565-Y567 VanDerWaalsContact C-N 3.29Å; Q565-Y567 PolarHBondContact O-N 3.47Å; Y567-S570 PolarHBondContact O-N 2.89Å; Y567-L571 HydrophobicContact CE1-CD1 3.84Å; Y567-L571 WeakPolarHBondContact O-CB 3.36Å; Y567-L571 PolarHBondContact O-N 3.39Å
568W87.7Confident85.6Confident0 Ų031 Ų310%017%0.173CC..Hα-helixtrans-62.4-45.3178.3-169.6-108.4000112.1F541 I564 Q565 S570 L571 I572 L614 M730 S734F541-W568 HydrophobicContact CE2-CD2 4.45Å; F541-W568 AromaticContact CE2-CE3 3.5Å; F541-W568 HydrophobicContact CE2-CE3 3.5Å; F541-W568 VanDerWaalsContact CE2-CE3 3.5Å; F541-W568 AromaticContact CE2-CZ3 3.69Å; F541-W568 HydrophobicContact CE2-CZ3 3.69Å; F541-W568 AromaticContact CZ-CE3 3.67Å; F541-W568 HydrophobicContact CZ-CE3 3.67Å; F541-W568 HydrophobicContact CZ-CZ3 4.18Å; I564-W568 VanDerWaalsContact O-CB 3.29Å; I564-W568 WeakPolarHBondContact O-CB 3.47Å; I564-W568 PolarHBondContact O-N 3.43Å; Q565-W568 WeakPolarHBondContact O-CB 3.25Å; Q565-W568 PolarHBondContact O-N 2.89Å; Q565-W568 VanDerWaalsContact O-N 3.15Å; W568-S570 VanDerWaalsContact C-N 3.29Å; W568-S570 PolarHBondContact O-N 3.12Å; W568-L571 WeakPolarHBondContact O-CB 3.46Å; W568-L571 PolarHBondContact O-N 3.24Å; W568-L571 VanDerWaalsContact O-N 3.1Å; W568-I572 HydrophobicContact CD2-CD1 4.38Å; W568-I572 HydrophobicContact CG-CD1 4.16Å; W568-I572 WeakPolarHBondContact O-CB 3.19Å; W568-I572 WeakPolarHBondContact O-CG1 3.44Å; W568-I572 PolarHBondContact O-N 3.47Å; W568-L614 HydrophobicContact CH2-CD1 3.42Å; W568-L614 VanDerWaalsContact CH2-CD1 3.42Å; W568-L614 HydrophobicContact CH2-CD2 4.26Å; W568-L614 HydrophobicContact CH2-CG 3.59Å; W568-L614 HydrophobicContact CZ2-CD1 4.44Å; W568-L614 HydrophobicContact CZ2-CG 4.17Å; W568-L614 HydrophobicContact CZ3-CD1 3.76Å; W568-L614 HydrophobicContact CZ3-CG 4.35Å; W568-M730 HydrophobicContact CD2-CE 4.15Å; W568-M730 HydrophobicContact CD2-CG 4.24Å; W568-M730 HydrophobicContact CE3-CE 4.28Å; W568-M730 HydrophobicContact CG-CG 4.05Å; W568-M730 HydrophobicContact CH2-CE 4.29Å; W568-M730 HydrophobicContact CZ2-CE 4.24Å; W568-M730 HydrophobicContact CZ3-CE 4.33Å; W568-M730 PolarHBondContact NE1-O 3.03Å; W568-S734 WeakPolarHBondContact CZ2-OG 3.31Å; W568-S734 PolarHBondContact NE1-OG 3.25Å
569D86.9Confident85.7Confident61 Ų6130.6 Ų30.633%0.32617%0.17SC..Hα-helixtrans-61.2-39.1176.1-75-21.8000111.3Q565 A573 S733Q565-D569 WeakPolarHBondContact O-CB 3.38Å; Q565-D569 PolarHBondContact O-N 3.39Å; D569-A573 WeakPolarHBondContact O-CB 3.39Å; D569-A573 PolarHBondContact O-N 2.95Å; D569-S733 WeakPolarHBondContact OD1-CB 3.5Å; D569-S733 PolarHBondContact OD1-OG 3.38Å
570S85.5Confident85.8Confident14 Ų1430.7 Ų30.710%0.09818%0.175CC..Hα-helixtrans-68.2-39.6172.7-177.40000113.1R510 S566 Y567 W568 I572 A573 N574R510-S570 VanDerWaalsContact CZ-CB 3.48Å; R510-S570 PolarHBondContact NE-OG 2.97Å; R510-S570 VanDerWaalsContact NH2-CB 3.3Å; R510-S570 PolarHBondContact NH2-OG 3.41Å; S566-S570 PolarHBondContact O-N 3.29Å; S566-S570 VanDerWaalsContact O-N 3.14Å; Y567-S570 PolarHBondContact O-N 2.89Å; W568-S570 VanDerWaalsContact C-N 3.29Å; W568-S570 PolarHBondContact O-N 3.12Å; S570-I572 VanDerWaalsContact C-N 3.3Å; S570-A573 PolarHBondContact O-N 3.38Å; S570-N574 PolarHBondContact O-N 2.95Å
571L85.5Confident85.7Confident11 Ų1132.6 Ų32.66%0.05818%0.182CC..Hα-helixtrans-62.6-43.9178.3-175.3154.4000109.4V533 S537 Y567 W568 N574 W575 L614V533-L571 HydrophobicContact CG1-CD1 3.79Å; V533-L571 HydrophobicContact CG1-CD2 4.46Å; V533-L571 HydrophobicContact CG1-CG 4.17Å; S537-L571 WeakPolarHBondContact OG-CD1 3.29Å; Y567-L571 HydrophobicContact CE1-CD1 3.84Å; Y567-L571 WeakPolarHBondContact O-CB 3.36Å; Y567-L571 PolarHBondContact O-N 3.39Å; W568-L571 WeakPolarHBondContact O-CB 3.46Å; W568-L571 PolarHBondContact O-N 3.24Å; W568-L571 VanDerWaalsContact O-N 3.1Å; L571-N574 WeakPolarHBondContact O-CB 2.8Å; L571-N574 PolarHBondContact O-N 3.28Å; L571-W575 HydrophobicContact CD2-CE3 3.89Å; L571-W575 HydrophobicContact CD2-CZ3 4.45Å; L571-W575 WeakPolarHBondContact O-CB 3.4Å; L571-W575 PolarHBondContact O-N 3.12Å; L571-L614 HydrophobicContact CD2-CD2 3.88Å
572I86.7Confident85.6Confident8 Ų833 Ų334%0.04119%0.185CC..Hα-helixtrans-64.5-41.5176-72.8175.9000111.7W568 S570 N574 W575 I576 L737W568-I572 HydrophobicContact CD2-CD1 4.38Å; W568-I572 HydrophobicContact CG-CD1 4.16Å; W568-I572 WeakPolarHBondContact O-CB 3.19Å; W568-I572 WeakPolarHBondContact O-CG1 3.44Å; W568-I572 PolarHBondContact O-N 3.47Å; S570-I572 VanDerWaalsContact C-N 3.3Å; I572-N574 VanDerWaalsContact C-N 3.3Å; I572-N574 PolarHBondContact O-N 3.48Å; I572-W575 CarbonylContact O-C 3.59Å; I572-W575 PolarHBondContact O-N 3.23Å; I572-W575 VanDerWaalsContact O-N 3.13Å; I572-I576 HydrophobicContact CG2-CD1 3.82Å; I572-I576 HydrophobicContact CG2-CG1 4.31Å; I572-I576 VanDerWaalsContact O-CG1 3.31Å; I572-I576 WeakPolarHBondContact O-CG1 3.31Å; I572-I576 PolarHBondContact O-N 3.5Å; I572-L737 HydrophobicContact CG1-CD2 4.25Å; I572-L737 HydrophobicContact CG2-CB 4.1Å
573A86.7Confident85.6Confident49 Ų4932.2 Ų32.241%0.40518%0.179SC..Hα-helixtrans-58.5-43.9174.400000111.6D569 S570 I576 I577D569-A573 WeakPolarHBondContact O-CB 3.39Å; D569-A573 PolarHBondContact O-N 2.95Å; S570-A573 PolarHBondContact O-N 3.38Å; A573-I576 PolarHBondContact O-N 3.11Å; A573-I577 WeakPolarHBondContact O-CG1 3.25Å; A573-I577 PolarHBondContact O-N 3.39Å; A573-I577 VanDerWaalsContact O-N 3.16Å
574N84Confident85.5Confident48 Ų4838.1 Ų38.126%0.25720%0.203SC..Hα-helixtrans-64.2-39.7174-72.6-15.5000111.8S570 L571 I572 I577 W578S570-N574 PolarHBondContact O-N 2.95Å; L571-N574 WeakPolarHBondContact O-CB 2.8Å; L571-N574 PolarHBondContact O-N 3.28Å; I572-N574 VanDerWaalsContact C-N 3.3Å; I572-N574 PolarHBondContact O-N 3.48Å; N574-I577 WeakPolarHBondContact O-CB 3.41Å; N574-I577 PolarHBondContact O-N 3.42Å; N574-W578 HydrophobicContact CB-CH2 4.5Å; N574-W578 HydrophobicContact CB-CZ2 4.45Å; N574-W578 PolarHBondContact O-N 3.4Å
575W86.8Confident85.2Confident0 Ų041.5 Ų41.50%022%0.219CC..Hα-helixtrans-67.3-35.9178.4-154-65.3000113L529 V533 V534 L571 I572 I577 W578 N579 F607 T611 L614 L737L529-W575 HydrophobicContact CB-CH2 4.34Å; L529-W575 HydrophobicContact CD2-CZ3 4.32Å; V533-W575 HydrophobicContact CB-CZ3 4.34Å; V533-W575 HydrophobicContact CG1-CE3 4.45Å; V533-W575 HydrophobicContact CG1-CZ3 3.93Å; V534-W575 HydrophobicContact CG2-CH2 3.69Å; V534-W575 HydrophobicContact CG2-CZ3 4.17Å; L571-W575 HydrophobicContact CD2-CE3 3.89Å; L571-W575 HydrophobicContact CD2-CZ3 4.45Å; L571-W575 WeakPolarHBondContact O-CB 3.4Å; L571-W575 PolarHBondContact O-N 3.12Å; I572-W575 CarbonylContact O-C 3.59Å; I572-W575 PolarHBondContact O-N 3.23Å; I572-W575 VanDerWaalsContact O-N 3.13Å; W575-I577 VanDerWaalsContact C-N 3.33Å; W575-W578 HydrophobicContact CB-CE3 4.15Å; W575-W578 HydrophobicContact CD2-CE3 4.04Å; W575-W578 HydrophobicContact CD2-CZ3 4.24Å; W575-W578 AromaticContact CE3-CE3 3.98Å; W575-W578 HydrophobicContact CE3-CE3 3.98Å; W575-W578 AromaticContact CE3-CZ3 3.69Å; W575-W578 HydrophobicContact CE3-CZ3 3.69Å; W575-W578 HydrophobicContact CG-CE3 4.12Å; W575-W578 HydrophobicContact CZ3-CZ3 4.24Å; W575-W578 CarbonylContact O-C 3.59Å; W575-W578 WeakPolarHBondContact O-CB 3.2Å; W575-W578 PolarHBondContact O-N 2.95Å; W575-N579 PolarHBondContact O-N 3.34Å; W575-F607 AromaticContact CD1-CE1 3.94Å; W575-F607 AromaticContact CD1-CZ 3.51Å; W575-F607 AromaticContact CE2-CZ 3.91Å; W575-F607 HydrophobicContact CZ2-CZ 4.5Å; W575-F607 AromaticContact NE1-CE1 3.49Å; W575-F607 AromaticContact NE1-CE2 3.93Å; W575-F607 AromaticContact NE1-CZ 3.11Å; W575-T611 PolarHBondContact NE1-OG1 3.2Å; W575-L614 HydrophobicContact CD2-CD2 4.08Å; W575-L614 HydrophobicContact CE3-CD2 3.74Å; W575-L614 HydrophobicContact CH2-CD2 3.99Å; W575-L614 HydrophobicContact CZ2-CD2 4.29Å; W575-L614 HydrophobicContact CZ3-CD2 3.7Å; W575-L737 HydrophobicContact CB-CD1 3.93Å; W575-L737 HydrophobicContact CB-CD2 4.29Å; W575-L737 VanDerWaalsContact CD1-CD1 3.46Å; W575-L737 HydrophobicContact CD2-CD2 4.38Å; W575-L737 HydrophobicContact CG-CD1 3.87Å; W575-L737 HydrophobicContact CG-CD2 3.95Å
576I86.5Confident84.9Confident56 Ų5640 Ų4029%0.28721%0.212SC..Hα-helixtrans-65.3-38.5172.2-68.2167.2000110.6I572 A573 W578 N579 T580 L737I572-I576 HydrophobicContact CG2-CD1 3.82Å; I572-I576 HydrophobicContact CG2-CG1 4.31Å; I572-I576 VanDerWaalsContact O-CG1 3.31Å; I572-I576 WeakPolarHBondContact O-CG1 3.31Å; I572-I576 PolarHBondContact O-N 3.5Å; A573-I576 PolarHBondContact O-N 3.11Å; I576-W578 VanDerWaalsContact C-N 3.32Å; I576-W578 PolarHBondContact O-N 3.12Å; I576-N579 VanDerWaalsContact O-CB 3.27Å; I576-N579 WeakPolarHBondContact O-CB 3.3Å; I576-N579 PolarHBondContact O-N 3.19Å; I576-T580 PolarHBondContact O-N 3.38Å; I576-T580 VanDerWaalsContact O-N 3.16Å; I576-L737 HydrophobicContact CG1-CD1 3.99Å
577I85.3Confident84.5Confident100 Ų10037 Ų3751%0.51319%0.19SC..Hα-helixtrans-62.1-43.7172.6-65.4165000109.9A573 N574 W575 N579 T580 W581A573-I577 WeakPolarHBondContact O-CG1 3.25Å; A573-I577 PolarHBondContact O-N 3.39Å; A573-I577 VanDerWaalsContact O-N 3.16Å; N574-I577 WeakPolarHBondContact O-CB 3.41Å; N574-I577 PolarHBondContact O-N 3.42Å; W575-I577 VanDerWaalsContact C-N 3.33Å; I577-N579 PolarHBondContact O-N 3.11Å; I577-T580 PolarHBondContact O-N 2.87Å; I577-T580 PolarHBondContact O-OG1 2.94Å; I577-W581 PolarHBondContact O-N 3.38Å
578W83.3Confident84.2Confident16 Ų1642.1 Ų42.16%0.06121%0.212CC..Hα-helixtrans-61.3-41.3174.7-63.2-29.9000112.6I515 L529 V533 N574 W575 I576 T580 W581 I582I515-W578 HydrophobicContact CB-CZ2 4.06Å; I515-W578 HydrophobicContact CD1-CH2 4.04Å; I515-W578 HydrophobicContact CD1-CZ2 3.99Å; I515-W578 HydrophobicContact CG1-CZ2 4.19Å; L529-W578 HydrophobicContact CD1-CE3 4.43Å; L529-W578 HydrophobicContact CD2-CD2 4.01Å; L529-W578 HydrophobicContact CD2-CE3 3.32Å; L529-W578 HydrophobicContact CD2-CH2 3.59Å; L529-W578 HydrophobicContact CD2-CZ2 4.22Å; L529-W578 HydrophobicContact CD2-CZ3 3.1Å; V533-W578 HydrophobicContact CG2-CH2 4.2Å; N574-W578 HydrophobicContact CB-CH2 4.5Å; N574-W578 HydrophobicContact CB-CZ2 4.45Å; N574-W578 PolarHBondContact O-N 3.4Å; W575-W578 HydrophobicContact CB-CE3 4.15Å; W575-W578 HydrophobicContact CD2-CE3 4.04Å; W575-W578 HydrophobicContact CD2-CZ3 4.24Å; W575-W578 AromaticContact CE3-CE3 3.98Å; W575-W578 HydrophobicContact CE3-CE3 3.98Å; W575-W578 AromaticContact CE3-CZ3 3.69Å; W575-W578 HydrophobicContact CE3-CZ3 3.69Å; W575-W578 HydrophobicContact CG-CE3 4.12Å; W575-W578 HydrophobicContact CZ3-CZ3 4.24Å; W575-W578 CarbonylContact O-C 3.59Å; W575-W578 WeakPolarHBondContact O-CB 3.2Å; W575-W578 PolarHBondContact O-N 2.95Å; I576-W578 VanDerWaalsContact C-N 3.32Å; I576-W578 PolarHBondContact O-N 3.12Å; W578-T580 VanDerWaalsContact C-N 3.34Å; W578-T580 PolarHBondContact O-N 3.04Å; W578-W581 PolarHBondContact O-N 2.86Å; W578-W581 VanDerWaalsContact O-N 3.1Å; W578-I582 WeakPolarHBondContact O-CB 3.23Å; W578-I582 WeakPolarHBondContact O-CG1 3.39Å; W578-I582 PolarHBondContact O-N 3.28Å
579N85.3Confident83.6Confident0 Ų044.4 Ų44.40%023%0.226CC..Hα-helixtrans-50.5-52.2172.1-98.6-40.6000111.8W575 I576 I577 W581 I582 E583 F607 T741 V744W575-N579 PolarHBondContact O-N 3.34Å; I576-N579 VanDerWaalsContact O-CB 3.27Å; I576-N579 WeakPolarHBondContact O-CB 3.3Å; I576-N579 PolarHBondContact O-N 3.19Å; I577-N579 PolarHBondContact O-N 3.11Å; N579-W581 VanDerWaalsContact C-N 3.31Å; N579-W581 PolarHBondContact O-N 3.44Å; N579-I582 PolarHBondContact O-N 3.38Å; N579-E583 WeakPolarHBondContact O-CB 3.37Å; N579-E583 PolarHBondContact O-N 2.81Å; N579-F607 WeakPolarHBondContact OD1-CE1 3.24Å; N579-T741 PolarHBondContact ND2-OG1 3.45Å; N579-T741 PolarHBondContact OD1-OG1 3.15Å; N579-V744 HydrophobicContact CB-CG2 4.39Å
580T84.9Confident83.2Confident59 Ų5941.7 Ų41.736%0.36221%0.212SC..Hα-helixtrans-68.5-28.7-179.966.90000113.5I576 I577 W578 K584I576-T580 PolarHBondContact O-N 3.38Å; I576-T580 VanDerWaalsContact O-N 3.16Å; I577-T580 PolarHBondContact O-N 2.87Å; I577-T580 PolarHBondContact O-OG1 2.94Å; W578-T580 VanDerWaalsContact C-N 3.34Å; W578-T580 PolarHBondContact O-N 3.04Å; T580-K584 WeakPolarHBondContact O-CG 3.42Å; T580-K584 PolarHBondContact O-N 3.46Å
581W84.2Confident82.8Confident40 Ų4045.5 Ų45.515%0.15223%0.229CC..Hα-helixtrans-73.4-46.6175.1174.985.5000111.5V517 V525 I577 W578 N579 E583 K584 Q585V517-W581 HydrophobicContact CG1-CB 3.85Å; V517-W581 HydrophobicContact CG1-CD2 3.16Å; V517-W581 HydrophobicContact CG1-CE3 3.78Å; V517-W581 HydrophobicContact CG1-CG 3.16Å; V517-W581 HydrophobicContact CG1-CZ2 4.02Å; V517-W581 HydrophobicContact CG1-CZ3 4.45Å; V517-W581 VanDerWaalsContact CG1-NE1 3.33Å; V517-W581 VanDerWaalsContact O-CE2 3.25Å; V517-W581 WeakPolarHBondContact O-CZ2 3.34Å; V517-W581 PolarHBondContact O-NE1 3.37Å; V525-W581 HydrophobicContact CG1-CZ3 4.42Å; V525-W581 HydrophobicContact CG2-CH2 4.05Å; V525-W581 HydrophobicContact CG2-CZ3 4.24Å; I577-W581 PolarHBondContact O-N 3.38Å; W578-W581 PolarHBondContact O-N 2.86Å; W578-W581 VanDerWaalsContact O-N 3.1Å; N579-W581 VanDerWaalsContact C-N 3.31Å; N579-W581 PolarHBondContact O-N 3.44Å; W581-E583 VanDerWaalsContact C-N 3.29Å; W581-E583 PolarHBondContact O-N 3.47Å; W581-K584 PolarHBondContact O-N 3.47Å; W581-K584 VanDerWaalsContact O-N 3.15Å; W581-Q585 HydrophobicContact CD2-CG 3.88Å; W581-Q585 VanDerWaalsContact CE2-CG 3.45Å; W581-Q585 HydrophobicContact CE3-CG 4.43Å; W581-Q585 HydrophobicContact CG-CG 4.37Å; W581-Q585 HydrophobicContact CH2-CG 4.21Å; W581-Q585 HydrophobicContact CZ2-CG 3.66Å; W581-Q585 WeakPolarHBondContact O-CG 3.49Å; W581-Q585 PolarHBondContact O-N 3.23Å
582I82.2Confident82.4Confident13 Ų1351.4 Ų51.47%0.06726%0.256CS..Hα-helixtrans-58.8-44.4176.9-70.5178.8000109.8W578 N579 K584 Q585 L586 I604 F607W578-I582 WeakPolarHBondContact O-CB 3.23Å; W578-I582 WeakPolarHBondContact O-CG1 3.39Å; W578-I582 PolarHBondContact O-N 3.28Å; N579-I582 PolarHBondContact O-N 3.38Å; I582-K584 PolarHBondContact O-N 3.47Å; I582-Q585 PolarHBondContact O-N 3.48Å; I582-L586 HydrophobicContact CG2-CD1 3.38Å; I582-L586 HydrophobicContact CG2-CG 3.86Å; I582-L586 VanDerWaalsContact O-CB 3.32Å; I582-L586 WeakPolarHBondContact O-CB 3.48Å; I582-L586 VanDerWaalsContact O-CG 3.29Å; I582-L586 WeakPolarHBondContact O-CG 3.5Å; I582-L586 PolarHBondContact O-N 3.25Å; I582-I604 HydrophobicContact CG2-CD1 3.87Å; I582-F607 HydrophobicContact CD1-CD1 4.27Å; I582-F607 HydrophobicContact CD1-CD2 3.11Å; I582-F607 HydrophobicContact CD1-CE1 4.31Å; I582-F607 HydrophobicContact CD1-CE2 3.13Å; I582-F607 HydrophobicContact CD1-CG 3.7Å; I582-F607 HydrophobicContact CD1-CZ 3.75Å
583E83.7Confident81.9Confident55 Ų5554.9 Ų54.926%0.25727%0.274SS..Hα-helixtrans-51.7-53.1173.9-171.7-169.8164.200111.3N579 W581 Q585 M587 V744N579-E583 WeakPolarHBondContact O-CB 3.37Å; N579-E583 PolarHBondContact O-N 2.81Å; W581-E583 VanDerWaalsContact C-N 3.29Å; W581-E583 PolarHBondContact O-N 3.47Å; E583-Q585 PolarHBondContact O-N 3Å; E583-M587 HydrophobicContact CG-CE 4.38Å; E583-M587 HydrophobicContact CG-CG 4.37Å; E583-M587 WeakPolarHBondContact O-CB 3.46Å; E583-M587 WeakPolarHBondContact O-CG 3.47Å; E583-M587 PolarHBondContact O-N 2.94Å; E583-V744 HydrophobicContact CB-CG1 3.69Å; E583-V744 HydrophobicContact CB-CG2 4.46Å; E583-V744 HydrophobicContact CG-CG1 3.94Å
584K84.1Confident81Confident147 Ų14756.3 Ų56.364%0.63928%0.276SS*.Hα-helixtrans-64.1-39.7-178.3-71.9172.5-176170.20112.9T580 W581 I582 K588T580-K584 WeakPolarHBondContact O-CG 3.42Å; T580-K584 PolarHBondContact O-N 3.46Å; W581-K584 PolarHBondContact O-N 3.47Å; W581-K584 VanDerWaalsContact O-N 3.15Å; I582-K584 PolarHBondContact O-N 3.47Å; K584-K588 WeakPolarHBondContact O-CB 3.38Å; K584-K588 PolarHBondContact O-N 3.38Å; K584-K588 VanDerWaalsContact O-N 3.12Å
585Q80.6Confident80.5Confident74 Ų7454.4 Ų54.435%0.34627%0.265SS..Hα-helixtrans-71.7-46.7180-65.8-60.2-11.900112W581 I582 E583 M587 K588 T589W581-Q585 HydrophobicContact CD2-CG 3.88Å; W581-Q585 VanDerWaalsContact CE2-CG 3.45Å; W581-Q585 HydrophobicContact CE3-CG 4.43Å; W581-Q585 HydrophobicContact CG-CG 4.37Å; W581-Q585 HydrophobicContact CH2-CG 4.21Å; W581-Q585 HydrophobicContact CZ2-CG 3.66Å; W581-Q585 WeakPolarHBondContact O-CG 3.49Å; W581-Q585 PolarHBondContact O-N 3.23Å; I582-Q585 PolarHBondContact O-N 3.48Å; E583-Q585 PolarHBondContact O-N 3Å; Q585-M587 VanDerWaalsContact C-N 3.34Å; Q585-M587 PolarHBondContact O-N 3.45Å; Q585-K588 PolarHBondContact O-N 2.97Å; Q585-T589 WeakPolarHBondContact O-CG2 3.17Å; Q585-T589 PolarHBondContact O-N 2.8Å; Q585-T589 PolarHBondContact O-OG1 3.07Å
586L80Confident79.4Confident3 Ų360.8 Ų60.82%0.01629%0.294CS..Hα-helixtrans-62.2-44177.7-67.7-179.8000110.5I582 K588 T589 D590 W603 I604 I748I582-L586 HydrophobicContact CG2-CD1 3.38Å; I582-L586 HydrophobicContact CG2-CG 3.86Å; I582-L586 VanDerWaalsContact O-CB 3.32Å; I582-L586 WeakPolarHBondContact O-CB 3.48Å; I582-L586 VanDerWaalsContact O-CG 3.29Å; I582-L586 WeakPolarHBondContact O-CG 3.5Å; I582-L586 PolarHBondContact O-N 3.25Å; L586-K588 VanDerWaalsContact C-N 3.31Å; L586-K588 PolarHBondContact O-N 3.33Å; L586-T589 WeakPolarHBondContact CA-OG1 3.4Å; L586-T589 PolarHBondContact O-N 3.23Å; L586-T589 PolarHBondContact O-OG1 3.33Å; L586-D590 WeakPolarHBondContact O-CB 3.36Å; L586-D590 PolarHBondContact O-N 2.75Å; L586-W603 HydrophobicContact CD1-CB 4.11Å; L586-W603 HydrophobicContact CD2-CB 3.77Å; L586-W603 HydrophobicContact CD2-CG 4.34Å; L586-I604 HydrophobicContact CD1-CB 4.01Å; L586-I604 HydrophobicContact CD1-CD1 4.39Å; L586-I748 HydrophobicContact CB-CD1 4.29Å; L586-I748 HydrophobicContact CD1-CD1 3.9Å
587M78.5Confident78.3Confident12 Ų1264.2 Ų64.26%0.05931%0.309CS..Hα-helixtrans-59.7-39.5175.3-70.4-73.8-171.800112.8E583 Q585 M591 E747 I748 K751E583-M587 HydrophobicContact CG-CE 4.38Å; E583-M587 HydrophobicContact CG-CG 4.37Å; E583-M587 WeakPolarHBondContact O-CB 3.46Å; E583-M587 WeakPolarHBondContact O-CG 3.47Å; E583-M587 PolarHBondContact O-N 2.94Å; Q585-M587 VanDerWaalsContact C-N 3.34Å; Q585-M587 PolarHBondContact O-N 3.45Å; M587-M591 HydrophobicContact CB-CE 4.07Å; M587-M591 WeakPolarHBondContact O-CB 3.33Å; M587-M591 WeakPolarHBondContact O-CG 3.31Å; M587-M591 PolarHBondContact O-N 3.34Å; M587-E747 HydrophobicContact CE-CB 4.42Å; M587-E747 WeakPolarHBondContact CE-O 3.48Å; M587-I748 HydrophobicContact CE-CB 4.23Å; M587-I748 HydrophobicContact CE-CG1 3.67Å; M587-K751 HydrophobicContact CE-CB 3.93Å; M587-K751 HydrophobicContact CE-CD 4.05Å; M587-K751 HydrophobicContact CE-CG 4.14Å; M587-K751 HydrophobicContact SD-CB 3.7Å; M587-K751 HydrophobicContact SD-CD 3.8Å; M587-K751 HydrophobicContact SD-CG 3.48Å; M587-K751 WeakPolarHBondContact SD-CG 3.22Å
588K79.1Confident77.7Confident119 Ų11960 Ų6052%0.51729%0.289SS..Hα-helixtrans-65.7-46.7177.1-173.9-175.8173.8-166.80111.3K584 Q585 L586 M591 E592K584-K588 WeakPolarHBondContact O-CB 3.38Å; K584-K588 PolarHBondContact O-N 3.38Å; K584-K588 VanDerWaalsContact O-N 3.12Å; Q585-K588 PolarHBondContact O-N 2.97Å; L586-K588 VanDerWaalsContact C-N 3.31Å; L586-K588 PolarHBondContact O-N 3.33Å; K588-M591 PolarHBondContact O-N 3.43Å; K588-E592 WeakPolarHBondContact CE-OE1 3.25Å; K588-E592 WeakPolarHBondContact O-CG 3.35Å; K588-E592 PolarHBondContact O-N 3.42Å; K588-E592 VanDerWaalsContact O-N 3.11Å
589T75.9Confident77.3Confident47 Ų4763.2 Ų63.229%0.28830%0.302SS..Hα-helixtrans-65.6-41.4179.454.10000112.8Q585 L586 E592 L593Q585-T589 WeakPolarHBondContact O-CG2 3.17Å; Q585-T589 PolarHBondContact O-N 2.8Å; Q585-T589 PolarHBondContact O-OG1 3.07Å; L586-T589 WeakPolarHBondContact CA-OG1 3.4Å; L586-T589 PolarHBondContact O-N 3.23Å; L586-T589 PolarHBondContact O-OG1 3.33Å; T589-E592 PolarHBondContact O-N 3.29Å; T589-L593 WeakPolarHBondContact O-CG 3.31Å; T589-L593 PolarHBondContact O-N 3.36Å
590D79Confident77Confident4 Ų463.2 Ų63.22%0.02130%0.302CS..Hα-helixtrans-68.6-35176.6-81.8-5.9000112.6L586 L593 N594 Y595 G600L586-D590 WeakPolarHBondContact O-CB 3.36Å; L586-D590 PolarHBondContact O-N 2.75Å; D590-L593 CarbonylContact O-C 3.56Å; D590-L593 PolarHBondContact O-N 2.94Å; D590-N594 PolarHBondContact O-N 3.04Å; D590-Y595 HydrophobicContact CB-CD1 3.68Å; D590-Y595 HydrophobicContact CB-CE1 3.61Å; D590-Y595 PolarHBondContact O-N 3.06Å; D590-G600 PolarHBondContact OD1-N 2.86Å; D590-G600 WeakPolarHBondContact OD2-CA 3.3Å; D590-G600 PolarHBondContact OD2-N 3.41Å; D590-G600 VanDerWaalsContact OD2-N 3.13Å
591M76.4Confident77Confident95 Ų9560.5 Ų60.547%0.46829%0.285SS..Hα-helixtrans-61.9-41.6172.1-81.3-171.7-123.800112M587 K588 L593 N594 Y595M587-M591 HydrophobicContact CB-CE 4.07Å; M587-M591 WeakPolarHBondContact O-CB 3.33Å; M587-M591 WeakPolarHBondContact O-CG 3.31Å; M587-M591 PolarHBondContact O-N 3.34Å; K588-M591 PolarHBondContact O-N 3.43Å; M591-L593 PolarHBondContact O-N 2.9Å; M591-N594 PolarHBondContact O-N 3.37Å; M591-N594 VanDerWaalsContact O-N 3.16Å; M591-Y595 HydrophobicContact CG-CE2 4.02Å; M591-Y595 WeakPolarHBondContact CG-OH 3.49Å
592E76.6Confident76.9Confident135 Ų13561.7 Ų61.763%0.63129%0.293SS*.Hα-helixtrans-63.8-27177.3-72.2171.1-170.100112.1K588 T589K588-E592 WeakPolarHBondContact CE-OE1 3.25Å; K588-E592 WeakPolarHBondContact O-CG 3.35Å; K588-E592 PolarHBondContact O-N 3.42Å; K588-E592 VanDerWaalsContact O-N 3.11Å; T589-E592 PolarHBondContact O-N 3.29Å
593L76.3Confident76.8Confident80 Ų8062.4 Ų62.442%0.41930%0.295SS..THydrogen-bonded Turntrans-93.79.1177.5-63.6172.4000113.9T589 D590 M591 Y595 H596T589-L593 WeakPolarHBondContact O-CG 3.31Å; T589-L593 PolarHBondContact O-N 3.36Å; D590-L593 CarbonylContact O-C 3.56Å; D590-L593 PolarHBondContact O-N 2.94Å; M591-L593 PolarHBondContact O-N 2.9Å; L593-Y595 PolarHBondContact O-N 2.64Å; L593-H596 PolarHBondContact O-N 2.95Å
594N68.7Low76.9Confident80 Ų8059.8 Ų59.843%0.42828%0.282SS..THydrogen-bonded Turntrans50.328-175.3-68.7-33.4000113.9D590 M591 H596D590-N594 PolarHBondContact O-N 3.04Å; M591-N594 PolarHBondContact O-N 3.37Å; M591-N594 VanDerWaalsContact O-N 3.16Å; N594-H596 PolarHBondContact O-N 3.14Å
595Y73.8Confident77Confident8 Ų852.8 Ų52.83%0.03125%0.252CS..THydrogen-bonded Turntrans55.118.7-177.4-53.3-81.3000115.5D590 M591 L593 Q597 K751 P752 Y755 Y756D590-Y595 HydrophobicContact CB-CD1 3.68Å; D590-Y595 HydrophobicContact CB-CE1 3.61Å; D590-Y595 PolarHBondContact O-N 3.06Å; M591-Y595 HydrophobicContact CG-CE2 4.02Å; M591-Y595 WeakPolarHBondContact CG-OH 3.49Å; L593-Y595 PolarHBondContact O-N 2.64Å; Y595-Q597 PolarHBondContact O-N 3.49Å; Y595-K751 HydrophobicContact CE1-CB 4.3Å; Y595-K751 HydrophobicContact CE1-CG 4.11Å; Y595-K751 VanDerWaalsContact OH-CG 3.28Å; Y595-K751 WeakPolarHBondContact OH-CG 3.28Å; Y595-P752 HydrophobicContact CD1-CB 4.1Å; Y595-P752 HydrophobicContact CD1-CG 3.64Å; Y595-P752 HydrophobicContact CE1-CG 4.27Å; Y595-P752 HydrophobicContact CG-CB 4.12Å; Y595-P752 HydrophobicContact CG-CG 4.16Å; Y595-Y755 AromaticContact CD2-CD1 3.85Å; Y595-Y755 HydrophobicContact CD2-CD1 3.85Å; Y595-Y755 HydrophobicContact CD2-CD2 4.17Å; Y595-Y755 HydrophobicContact CD2-CE1 4.4Å; Y595-Y755 AromaticContact CD2-CG 3.72Å; Y595-Y755 HydrophobicContact CD2-CG 3.72Å; Y595-Y755 HydrophobicContact CE2-CD1 4.33Å; Y595-Y755 AromaticContact CE2-CD2 3.83Å; Y595-Y755 HydrophobicContact CE2-CD2 3.83Å; Y595-Y755 HydrophobicContact CE2-CE2 4.48Å; Y595-Y755 AromaticContact CE2-CG 3.74Å; Y595-Y755 HydrophobicContact CE2-CG 3.74Å; Y595-Y756 PolarHBondContact O-OH 2.94Å
596H62.4Low77Confident133 Ų13352.8 Ų52.862%0.61625%0.251SS*.SBendtrans-66.6-21.5178.7-72.8-52.7000112.9L593 N594L593-H596 PolarHBondContact O-N 2.95Å; N594-H596 PolarHBondContact O-N 3.14Å
597Q65.1Low77.3Confident129 Ų12952.8 Ų52.860%0.60325%0.251SS*.SBendtrans-124.5133.6174.9-64.5179.8-8.700107.9Y595 Y599Y595-Q597 PolarHBondContact O-N 3.49Å; Q597-Y599 PolarHBondContact O-N 2.93Å
598A71.3Confident77.7Confident10 Ų1052.2 Ų52.28%0.08325%0.248CC..  trans-78.553.5176.800000110.7F601 M602 Y794 Q801A598-F601 HydrophobicContact CB-CB 4.3Å; A598-M602 PolarHBondContact O-N 3.1Å; A598-Y794 HydrophobicContact CB-CD2 4.41Å; A598-Y794 HydrophobicContact CB-CE2 3.84Å; A598-Q801 VanDerWaalsContact CB-NE2 3.3Å; A598-Q801 PolarHBondContact O-NE2 3.02Å; A598-Q801 PolarHBondContact O-OE1 3.35Å
599Y76.4Confident78Confident85 Ų8548.1 Ų48.133%0.33323%0.231SC..Hα-helixtrans-69.4-46.6-175.6-178.7-99000111.1Q597 F601 M602 W603Q597-Y599 PolarHBondContact O-N 2.93Å; Y599-F601 VanDerWaalsContact C-N 3.32Å; Y599-F601 PolarHBondContact O-N 3.49Å; Y599-M602 HydrophobicContact CD2-CE 4.17Å; Y599-M602 HydrophobicContact CE2-CE 4.24Å; Y599-M602 PolarHBondContact O-N 2.96Å; Y599-W603 AromaticContact CD1-CD1 3.72Å; Y599-W603 AromaticContact CD2-NE1 3.87Å; Y599-W603 AromaticContact CE1-CD1 3.38Å; Y599-W603 AromaticContact CE1-NE1 3.43Å; Y599-W603 AromaticContact CE2-CD1 3.71Å; Y599-W603 AromaticContact CE2-NE1 3.14Å; Y599-W603 AromaticContact CZ-CD1 3.39Å; Y599-W603 AromaticContact CZ-CE2 3.98Å; Y599-W603 AromaticContact CZ-NE1 2.89Å; Y599-W603 VanDerWaalsContact O-CD1 3.31Å; Y599-W603 PolarHBondContact O-N 2.56Å; Y599-W603 VanDerWaalsContact O-N 3.15Å; Y599-W603 PolarHBondContact OH-NE1 3.44Å
600G79Confident78.4Confident0 Ų046.5 Ų46.50%022%0.22CC..Hα-helixtrans-62.2-36.7175.600000113.4D590 W603 I604D590-G600 PolarHBondContact OD1-N 2.86Å; D590-G600 WeakPolarHBondContact OD2-CA 3.3Å; D590-G600 PolarHBondContact OD2-N 3.41Å; D590-G600 VanDerWaalsContact OD2-N 3.13Å; G600-W603 PolarHBondContact O-N 2.91Å; G600-I604 WeakPolarHBondContact O-CG2 3.47Å; G600-I604 PolarHBondContact O-N 2.8Å
601F83.3Confident78.8Confident1 Ų146.3 Ų46.30%0.00422%0.219CC..Hα-helixtrans-64.1-43.6176.2-169.5-120.5000111.7A598 Y599 W603 I604 L605 V745 A749 L798 Q801 W921A598-F601 HydrophobicContact CB-CB 4.3Å; Y599-F601 VanDerWaalsContact C-N 3.32Å; Y599-F601 PolarHBondContact O-N 3.49Å; F601-W603 PolarHBondContact O-N 2.94Å; F601-I604 HydrophobicContact CD2-CG2 4.18Å; F601-I604 VanDerWaalsContact O-CG2 3.3Å; F601-I604 WeakPolarHBondContact O-CG2 3.36Å; F601-I604 PolarHBondContact O-N 3.49Å; F601-L605 HydrophobicContact CD1-CD1 4Å; F601-L605 HydrophobicContact CE1-CD1 3.6Å; F601-L605 HydrophobicContact CE1-CG 4.24Å; F601-L605 HydrophobicContact CE2-CD2 4.29Å; F601-L605 HydrophobicContact CE2-CG 4.28Å; F601-L605 HydrophobicContact CZ-CD1 3.89Å; F601-L605 HydrophobicContact CZ-CD2 4.03Å; F601-L605 HydrophobicContact CZ-CG 4.08Å; F601-L605 VanDerWaalsContact O-CG 3.3Å; F601-L605 WeakPolarHBondContact O-CG 3.34Å; F601-L605 PolarHBondContact O-N 3.08Å; F601-V745 HydrophobicContact CE2-CG1 3.83Å; F601-A749 HydrophobicContact CD2-CB 3.87Å; F601-A749 HydrophobicContact CE2-CB 3.78Å; F601-L798 HydrophobicContact CD1-CD2 3.39Å; F601-L798 HydrophobicContact CE1-CB 4.49Å; F601-L798 HydrophobicContact CE1-CD2 3.5Å; F601-L798 HydrophobicContact CG-CD2 4.03Å; F601-L798 HydrophobicContact CZ-CD2 4.17Å; F601-Q801 HydrophobicContact CD1-CB 4.32Å; F601-Q801 HydrophobicContact CE1-CB 4.49Å; F601-W921 HydrophobicContact CE2-CH2 4.07Å; F601-W921 HydrophobicContact CZ-CH2 4.15Å; F601-W921 HydrophobicContact CZ-CZ3 4.15Å
602M82.5Confident79.2Confident66 Ų6641.8 Ų41.833%0.32520%0.197SC..Hα-helixtrans-59.8-43.6175.1-177.2-169.467.700112.6A598 Y599 L605 K606A598-M602 PolarHBondContact O-N 3.1Å; Y599-M602 HydrophobicContact CD2-CE 4.17Å; Y599-M602 HydrophobicContact CE2-CE 4.24Å; Y599-M602 PolarHBondContact O-N 2.96Å; M602-L605 PolarHBondContact O-N 3.31Å; M602-K606 PolarHBondContact O-N 3.23Å
603W80.2Confident79.5Confident27 Ų2736.3 Ų36.310%0.10217%0.171CC..Hα-helixtrans-72.4-38.3-178.7-81.7103.5000113.4P522 S523 L526 L586 Y599 G600 F601 L605 K606 F607P522-W603 HydrophobicContact CB-CE3 4.5Å; S523-W603 WeakPolarHBondContact OG-CH2 3.29Å; L526-W603 HydrophobicContact CD2-CE3 4.36Å; L526-W603 HydrophobicContact CD2-CZ3 4.06Å; L586-W603 HydrophobicContact CD1-CB 4.11Å; L586-W603 HydrophobicContact CD2-CB 3.77Å; L586-W603 HydrophobicContact CD2-CG 4.34Å; Y599-W603 AromaticContact CD1-CD1 3.72Å; Y599-W603 AromaticContact CD2-NE1 3.87Å; Y599-W603 AromaticContact CE1-CD1 3.38Å; Y599-W603 AromaticContact CE1-NE1 3.43Å; Y599-W603 AromaticContact CE2-CD1 3.71Å; Y599-W603 AromaticContact CE2-NE1 3.14Å; Y599-W603 AromaticContact CZ-CD1 3.39Å; Y599-W603 AromaticContact CZ-CE2 3.98Å; Y599-W603 AromaticContact CZ-NE1 2.89Å; Y599-W603 VanDerWaalsContact O-CD1 3.31Å; Y599-W603 PolarHBondContact O-N 2.56Å; Y599-W603 VanDerWaalsContact O-N 3.15Å; Y599-W603 PolarHBondContact OH-NE1 3.44Å; G600-W603 PolarHBondContact O-N 2.91Å; F601-W603 PolarHBondContact O-N 2.94Å; W603-L605 VanDerWaalsContact C-N 3.29Å; W603-L605 PolarHBondContact O-N 3.13Å; W603-K606 HydrophobicContact CE3-CD 4.02Å; W603-K606 HydrophobicContact CZ3-CD 4.03Å; W603-K606 PolarHBondContact O-N 3Å; W603-F607 PolarHBondContact O-N 3.18Å
604I85.9Confident79.9Confident0 Ų032.5 Ų32.50%015%0.151CC..Hα-helixtrans-68-32175.6-164.371.5000111.4I582 L586 G600 F601 F607 A608 V744 V745 I748I582-I604 HydrophobicContact CG2-CD1 3.87Å; L586-I604 HydrophobicContact CD1-CB 4.01Å; L586-I604 HydrophobicContact CD1-CD1 4.39Å; G600-I604 WeakPolarHBondContact O-CG2 3.47Å; G600-I604 PolarHBondContact O-N 2.8Å; F601-I604 HydrophobicContact CD2-CG2 4.18Å; F601-I604 VanDerWaalsContact O-CG2 3.3Å; F601-I604 WeakPolarHBondContact O-CG2 3.36Å; F601-I604 PolarHBondContact O-N 3.49Å; I604-F607 HydrophobicContact CD1-CB 4.35Å; I604-F607 HydrophobicContact CD1-CD1 4.31Å; I604-F607 CarbonylContact O-C 3.6Å; I604-F607 PolarHBondContact O-N 2.63Å; I604-A608 WeakPolarHBondContact O-CB 3.45Å; I604-A608 PolarHBondContact O-N 3.17Å; I604-V744 HydrophobicContact CD1-CB 4.5Å; I604-V744 HydrophobicContact CD1-CG1 3.63Å; I604-V744 HydrophobicContact CG1-CG1 4.19Å; I604-V745 HydrophobicContact CB-CG2 4.45Å; I604-V745 HydrophobicContact CG1-CB 4.33Å; I604-V745 HydrophobicContact CG1-CG2 3.54Å; I604-V745 HydrophobicContact CG2-CB 4.47Å; I604-V745 HydrophobicContact CG2-CG1 4.4Å; I604-V745 HydrophobicContact CG2-CG2 4.18Å; I604-I748 HydrophobicContact CB-CD1 3.67Å; I604-I748 HydrophobicContact CD1-CD1 3.88Å; I604-I748 HydrophobicContact CG1-CD1 3.73Å; I604-I748 HydrophobicContact CG2-CB 4.33Å; I604-I748 HydrophobicContact CG2-CD1 3.99Å; I604-I748 HydrophobicContact CG2-CG2 4.15Å
605L85.6Confident80.7Confident0 Ų028.7 Ų28.70%013%0.131CC..Hα-helixtrans-62.9-41.1172.2-73.3175.1000112F601 M602 W603 F607 A608 H609 V745 Q801 L802 Y805 L834 F838F601-L605 HydrophobicContact CD1-CD1 4Å; F601-L605 HydrophobicContact CE1-CD1 3.6Å; F601-L605 HydrophobicContact CE1-CG 4.24Å; F601-L605 HydrophobicContact CE2-CD2 4.29Å; F601-L605 HydrophobicContact CE2-CG 4.28Å; F601-L605 HydrophobicContact CZ-CD1 3.89Å; F601-L605 HydrophobicContact CZ-CD2 4.03Å; F601-L605 HydrophobicContact CZ-CG 4.08Å; F601-L605 VanDerWaalsContact O-CG 3.3Å; F601-L605 WeakPolarHBondContact O-CG 3.34Å; F601-L605 PolarHBondContact O-N 3.08Å; M602-L605 PolarHBondContact O-N 3.31Å; W603-L605 VanDerWaalsContact C-N 3.29Å; W603-L605 PolarHBondContact O-N 3.13Å; L605-F607 VanDerWaalsContact C-N 3.3Å; L605-F607 PolarHBondContact O-N 2.9Å; L605-A608 PolarHBondContact O-N 3.12Å; L605-H609 WeakPolarHBondContact O-CB 3.27Å; L605-H609 PolarHBondContact O-N 3.02Å; L605-V745 HydrophobicContact CD2-CG1 4.4Å; L605-Q801 HydrophobicContact CD1-CB 4.38Å; L605-L802 HydrophobicContact CD1-CD2 3.73Å; L605-L802 HydrophobicContact CD1-CG 4.37Å; L605-L802 HydrophobicContact CD2-CD2 3.8Å; L605-L802 HydrophobicContact CG-CD2 4.43Å; L605-Y805 HydrophobicContact CB-CE2 4.11Å; L605-Y805 HydrophobicContact CD1-CE2 4.48Å; L605-L834 HydrophobicContact CD2-CD1 4.13Å; L605-L834 HydrophobicContact CD2-CD2 4.33Å; L605-F838 HydrophobicContact CD2-CZ 4.32Å
606K82.2Confident81.2Confident75 Ų7529.9 Ų29.933%0.32614%0.14SC..Hα-helixtrans-62.2-39173.5-71.2-177.1176.4-174.10112.2L526 M602 W603 L610 Y805L526-K606 HydrophobicContact CD2-CB 3.7Å; L526-K606 HydrophobicContact CD2-CD 4.27Å; M602-K606 PolarHBondContact O-N 3.23Å; W603-K606 HydrophobicContact CE3-CD 4.02Å; W603-K606 HydrophobicContact CZ3-CD 4.03Å; W603-K606 PolarHBondContact O-N 3Å; K606-L610 PolarHBondContact O-N 3.46Å; K606-L610 VanDerWaalsContact O-N 3.15Å; K606-Y805 WeakPolarHBondContact CA-OH 3.36Å; K606-Y805 WeakPolarHBondContact CG-OH 3.17Å; K606-Y805 PolarHBondContact N-OH 3.19Å
607F85.2Confident82.2Confident2 Ų225.4 Ų25.41%0.00912%0.12CC..Hα-helixtrans-68.3-42.2175.3-173.1-91.9000112.1L526 L529 W575 N579 I582 W603 I604 L605 H609 L610 T611 T741L526-F607 HydrophobicContact CD1-CB 4.09Å; L526-F607 HydrophobicContact CD1-CD2 3.78Å; L526-F607 HydrophobicContact CD1-CG 4.42Å; L529-F607 HydrophobicContact CD1-CD2 4.35Å; L529-F607 HydrophobicContact CD1-CE2 3.71Å; W575-F607 AromaticContact CD1-CE1 3.94Å; W575-F607 AromaticContact CD1-CZ 3.51Å; W575-F607 AromaticContact CE2-CZ 3.91Å; W575-F607 HydrophobicContact CZ2-CZ 4.5Å; W575-F607 AromaticContact NE1-CE1 3.49Å; W575-F607 AromaticContact NE1-CE2 3.93Å; W575-F607 AromaticContact NE1-CZ 3.11Å; N579-F607 WeakPolarHBondContact OD1-CE1 3.24Å; I582-F607 HydrophobicContact CD1-CD1 4.27Å; I582-F607 HydrophobicContact CD1-CD2 3.11Å; I582-F607 HydrophobicContact CD1-CE1 4.31Å; I582-F607 HydrophobicContact CD1-CE2 3.13Å; I582-F607 HydrophobicContact CD1-CG 3.7Å; I582-F607 HydrophobicContact CD1-CZ 3.75Å; W603-F607 PolarHBondContact O-N 3.18Å; I604-F607 HydrophobicContact CD1-CB 4.35Å; I604-F607 HydrophobicContact CD1-CD1 4.31Å; I604-F607 CarbonylContact O-C 3.6Å; I604-F607 PolarHBondContact O-N 2.63Å; L605-F607 VanDerWaalsContact C-N 3.3Å; L605-F607 PolarHBondContact O-N 2.9Å; F607-H609 VanDerWaalsContact C-N 3.31Å; F607-H609 PolarHBondContact O-N 2.92Å; F607-L610 PolarHBondContact O-N 3.2Å; F607-T611 PolarHBondContact O-N 3.45Å; F607-T611 PolarHBondContact O-OG1 3.45Å; F607-T741 HydrophobicContact CD1-CG2 3.92Å; F607-T741 HydrophobicContact CE1-CG2 4.17Å
608A87Confident83.1Confident1 Ų119.3 Ų19.31%0.0089%0.091CC..Hα-helixtrans-63.1-38.3175.900000112I604 L605 T611 G612 T741 V745 L834 C837I604-A608 WeakPolarHBondContact O-CB 3.45Å; I604-A608 PolarHBondContact O-N 3.17Å; L605-A608 PolarHBondContact O-N 3.12Å; A608-T611 PolarHBondContact O-N 2.74Å; A608-G612 PolarHBondContact O-N 3.41Å; A608-T741 HydrophobicContact CB-CG2 3.96Å; A608-V745 HydrophobicContact CB-CG2 3.88Å; A608-L834 HydrophobicContact CB-CD1 3.85Å; A608-C837 WeakPolarHBondContact O-CB 3.19Å; A608-C837 PolarHBondContact O-SG 2.87Å; A608-C837 VanDerWaalsContact O-SG 3.4Å
609H85.4Confident83.6Confident33 Ų3320.4 Ų20.415%0.15310%0.096CC..Hα-helixtrans-58.7-48.8170.9170.367.1000111.5L605 F607 T611 G612 E613 Y805 A830 L834L605-H609 WeakPolarHBondContact O-CB 3.27Å; L605-H609 PolarHBondContact O-N 3.02Å; F607-H609 VanDerWaalsContact C-N 3.31Å; F607-H609 PolarHBondContact O-N 2.92Å; H609-T611 PolarHBondContact O-N 3.14Å; H609-G612 PolarHBondContact O-N 2.84Å; H609-E613 WeakPolarHBondContact O-CB 3.17Å; H609-E613 PolarHBondContact O-N 3.29Å; H609-Y805 HydrophobicContact CB-CE1 4Å; H609-A830 VanDerWaalsContact CE1-C 3.48Å; H609-A830 PolarHBondContact CE1-O 3.37Å; H609-A830 PolarHBondContact ND1-O 3.1Å; H609-L834 HydrophobicContact CB-CB 4.27Å
610L83.9Confident83.9Confident12 Ų1219.4 Ų19.46%0.06310%0.098CC..Hα-helixtrans-65.3-36.8176.6-78.5-180000113.7L526 N530 K606 F607 G612 E613 L614L526-L610 HydrophobicContact CD1-CD1 3.42Å; L526-L610 VanDerWaalsContact CD1-CD1 3.42Å; L526-L610 HydrophobicContact CD1-CG 4.48Å; L526-L610 HydrophobicContact CD2-CD1 4.17Å; L526-L610 HydrophobicContact CG-CD1 3.4Å; L526-L610 VanDerWaalsContact CG-CD1 3.4Å; N530-L610 HydrophobicContact CB-CD1 4.13Å; N530-L610 HydrophobicContact CB-CD2 3.77Å; K606-L610 PolarHBondContact O-N 3.46Å; K606-L610 VanDerWaalsContact O-N 3.15Å; F607-L610 PolarHBondContact O-N 3.2Å; L610-G612 VanDerWaalsContact C-N 3.3Å; L610-E613 PolarHBondContact O-N 3.44Å; L610-L614 WeakPolarHBondContact O-CB 3.23Å; L610-L614 PolarHBondContact O-N 3.43Å
611T87.1Confident84.2Confident0 Ų019.4 Ų19.40%010%0.099CC..Hα-helixtrans-59.2-45.7172.4-67.60000110.4W575 F607 A608 H609 L614 T615 L737 T741W575-T611 PolarHBondContact NE1-OG1 3.2Å; F607-T611 PolarHBondContact O-N 3.45Å; F607-T611 PolarHBondContact O-OG1 3.45Å; A608-T611 PolarHBondContact O-N 2.74Å; H609-T611 PolarHBondContact O-N 3.14Å; T611-L614 WeakPolarHBondContact O-CB 3.4Å; T611-L614 PolarHBondContact O-N 3.2Å; T611-T615 WeakPolarHBondContact O-CG2 3.23Å; T611-T615 PolarHBondContact O-N 3.32Å; T611-T615 PolarHBondContact O-OG1 3.48Å; T611-L737 HydrophobicContact CG2-CD1 4.48Å; T611-L737 HydrophobicContact CG2-CD2 3.84Å; T611-L737 HydrophobicContact CG2-CG 3.66Å; T611-T741 HydrophobicContact CG2-CG2 4.43Å; T611-T741 PolarHBondContact OG1-OG1 3.18Å
612G85.4Confident84.2Confident0 Ų020.6 Ų20.60%011%0.106CC..Hα-helixtrans-73.2-29.9-179.800000114.3A608 H609 L610 T615 S616 G833 H836A608-G612 PolarHBondContact O-N 3.41Å; H609-G612 PolarHBondContact O-N 2.84Å; L610-G612 VanDerWaalsContact C-N 3.3Å; G612-T615 VanDerWaalsContact CA-OG1 3.26Å; G612-T615 WeakPolarHBondContact CA-OG1 3.02Å; G612-T615 PolarHBondContact O-N 3.1Å; G612-T615 PolarHBondContact O-OG1 2.98Å; G612-S616 VanDerWaalsContact O-CB 3.25Å; G612-S616 WeakPolarHBondContact O-CB 3.44Å; G612-S616 PolarHBondContact O-N 2.94Å; G612-G833 WeakPolarHBondContact CA-O 3.48Å; G612-H836 PolarHBondContact O-ND1 2.81Å
613E83.3Confident84.1Confident20 Ų2024.1 Ų24.19%0.09312%0.122CC..Hα-helixtrans-62.4-47.2169.8-175.263.4-157.200110.6H609 L610 T615 S616 Q617H609-E613 WeakPolarHBondContact O-CB 3.17Å; H609-E613 PolarHBondContact O-N 3.29Å; L610-E613 PolarHBondContact O-N 3.44Å; E613-T615 VanDerWaalsContact C-N 3.29Å; E613-T615 PolarHBondContact O-N 2.88Å; E613-S616 PolarHBondContact O-N 3.15Å; E613-Q617 WeakPolarHBondContact O-CB 3.43Å; E613-Q617 WeakPolarHBondContact O-CG 3.44Å; E613-Q617 PolarHBondContact O-N 3.13Å; E613-Q617 PolarHBondContact OE1-NE2 3.22Å
614L85.2Confident84.3Confident0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-57.5-43.7175176.871.1000111.2V534 I538 W568 L571 W575 L610 T611 S618 L737V534-L614 HydrophobicContact CB-CD1 4.38Å; V534-L614 HydrophobicContact CG1-CB 4.43Å; V534-L614 HydrophobicContact CG1-CD1 4.08Å; V534-L614 HydrophobicContact CG2-CB 4.28Å; V534-L614 HydrophobicContact CG2-CD1 4.13Å; I538-L614 HydrophobicContact CD1-CD1 4.13Å; W568-L614 HydrophobicContact CH2-CD1 3.42Å; W568-L614 VanDerWaalsContact CH2-CD1 3.42Å; W568-L614 HydrophobicContact CH2-CD2 4.26Å; W568-L614 HydrophobicContact CH2-CG 3.59Å; W568-L614 HydrophobicContact CZ2-CD1 4.44Å; W568-L614 HydrophobicContact CZ2-CG 4.17Å; W568-L614 HydrophobicContact CZ3-CD1 3.76Å; W568-L614 HydrophobicContact CZ3-CG 4.35Å; L571-L614 HydrophobicContact CD2-CD2 3.88Å; W575-L614 HydrophobicContact CD2-CD2 4.08Å; W575-L614 HydrophobicContact CE3-CD2 3.74Å; W575-L614 HydrophobicContact CH2-CD2 3.99Å; W575-L614 HydrophobicContact CZ2-CD2 4.29Å; W575-L614 HydrophobicContact CZ3-CD2 3.7Å; L610-L614 WeakPolarHBondContact O-CB 3.23Å; L610-L614 PolarHBondContact O-N 3.43Å; T611-L614 WeakPolarHBondContact O-CB 3.4Å; T611-L614 PolarHBondContact O-N 3.2Å; L614-S618 WeakPolarHBondContact O-CB 3.26Å; L614-S618 PolarHBondContact O-N 3.18Å; L614-L737 HydrophobicContact CD2-CD2 4.07Å
615T85.9Confident84.2Confident0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-72.8-37.4179.754.80000112.9T611 G612 E613 S618 D619 S734 C738 H836T611-T615 WeakPolarHBondContact O-CG2 3.23Å; T611-T615 PolarHBondContact O-N 3.32Å; T611-T615 PolarHBondContact O-OG1 3.48Å; G612-T615 VanDerWaalsContact CA-OG1 3.26Å; G612-T615 WeakPolarHBondContact CA-OG1 3.02Å; G612-T615 PolarHBondContact O-N 3.1Å; G612-T615 PolarHBondContact O-OG1 2.98Å; E613-T615 VanDerWaalsContact C-N 3.29Å; E613-T615 PolarHBondContact O-N 2.88Å; T615-S618 WeakPolarHBondContact CA-OG 3.3Å; T615-S618 WeakPolarHBondContact O-CA 3.3Å; T615-S618 VanDerWaalsContact O-CB 3.28Å; T615-S618 WeakPolarHBondContact O-CB 3.29Å; T615-S618 PolarHBondContact O-N 3.28Å; T615-S618 PolarHBondContact O-OG 3.07Å; T615-D619 PolarHBondContact O-N 3.48Å; T615-S734 VanDerWaalsContact CG2-CB 3.45Å; T615-C738 VanDerWaalsContact CG2-SG 3.6Å; T615-H836 PolarHBondContact OG1-CE1 2.8Å; T615-H836 VanDerWaalsContact OG1-CE1 3.29Å; T615-H836 PolarHBondContact OG1-ND1 3.16Å
616S83.3Confident84Confident33 Ų3327.7 Ų27.723%0.23114%0.137CC..Hα-helixtrans-62.6-49.2175.1177.40000111G612 E613 S618 D619 V620 H836G612-S616 VanDerWaalsContact O-CB 3.25Å; G612-S616 WeakPolarHBondContact O-CB 3.44Å; G612-S616 PolarHBondContact O-N 2.94Å; E613-S616 PolarHBondContact O-N 3.15Å; S616-S618 PolarHBondContact O-N 2.62Å; S616-D619 PolarHBondContact O-N 2.64Å; S616-V620 WeakPolarHBondContact O-CG2 3.17Å; S616-V620 PolarHBondContact O-N 2.81Å; S616-H836 PolarHBondContact N-CE1 3.3Å
617Q83.3Confident83.9Confident40 Ų4027.5 Ų27.519%0.18715%0.145CC..Hα-helixtrans-64.2-28175.7-64.5-172.47.800112.3I538 E613 F621I538-Q617 HydrophobicContact CD1-CB 3.45Å; I538-Q617 VanDerWaalsContact CD1-CB 3.45Å; I538-Q617 HydrophobicContact CD1-CG 4.26Å; E613-Q617 WeakPolarHBondContact O-CB 3.43Å; E613-Q617 WeakPolarHBondContact O-CG 3.44Å; E613-Q617 PolarHBondContact O-N 3.13Å; E613-Q617 PolarHBondContact OE1-NE2 3.22Å; Q617-F621 WeakPolarHBondContact O-CB 3.41Å; Q617-F621 PolarHBondContact O-N 3.5Å
618S84.3Confident83.5Confident0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-63.9-42.7171.692.30000111.8L614 T615 S616 F621 V622 M730 S734L614-S618 WeakPolarHBondContact O-CB 3.26Å; L614-S618 PolarHBondContact O-N 3.18Å; T615-S618 WeakPolarHBondContact CA-OG 3.3Å; T615-S618 WeakPolarHBondContact O-CA 3.3Å; T615-S618 VanDerWaalsContact O-CB 3.28Å; T615-S618 WeakPolarHBondContact O-CB 3.29Å; T615-S618 PolarHBondContact O-N 3.28Å; T615-S618 PolarHBondContact O-OG 3.07Å; S616-S618 PolarHBondContact O-N 2.62Å; S618-F621 PolarHBondContact O-N 2.93Å; S618-V622 VanDerWaalsContact O-CG2 3.31Å; S618-V622 WeakPolarHBondContact O-CG2 3.1Å; S618-V622 PolarHBondContact O-N 3.04Å; S618-M730 VanDerWaalsContact CB-CE 3.44Å; S618-S734 PolarHBondContact OG-OG 3.38Å; S618-S734 VanDerWaalsContact OG-OG 3.08Å
619D81.2Confident83.3Confident33 Ų3329.8 Ų29.818%0.17616%0.155CC..Hα-helixtrans-69.4-43.4178.7-65.2-24.9000110.8T615 S616 F621 V622 E623 H731 H836T615-D619 PolarHBondContact O-N 3.48Å; S616-D619 PolarHBondContact O-N 2.64Å; D619-F621 VanDerWaalsContact C-N 3.3Å; D619-F621 PolarHBondContact O-N 3.48Å; D619-V622 WeakPolarHBondContact O-CB 3.44Å; D619-V622 PolarHBondContact O-N 2.86Å; D619-V622 VanDerWaalsContact O-N 3.12Å; D619-E623 PolarHBondContact O-N 3.1Å; D619-H731 IonicContact OD1-CD2 2.73Å; D619-H836 IonicContact OD2-CE1 3.64Å; D619-H836 PolarHBondContact OD2-CE1 3.46Å; D619-H836 IonicContact OD2-NE2 3.3Å; D619-H836 PolarHBondContact OD2-NE2 2.96Å
620V83.4Confident83Confident64 Ų6429.4 Ų29.439%0.38816%0.156SC..Hα-helixtrans-59.2-41.5174175.70000111.2S616 E623 Y624S616-V620 WeakPolarHBondContact O-CG2 3.17Å; S616-V620 PolarHBondContact O-N 2.81Å; V620-E623 PolarHBondContact O-N 3.48Å; V620-Y624 WeakPolarHBondContact O-CB 3.41Å; V620-Y624 PolarHBondContact O-N 3.49Å
621F85.1Confident82.6Confident1 Ų134 Ų340%0.00418%0.181CC..Hα-helixtrans-62.6-42.6175.1170.9-99.3000112F541 Y542 I545 I564 Q617 S618 D619 Y624 V625 M730F541-F621 HydrophobicContact CB-CD2 3.98Å; F541-F621 HydrophobicContact CB-CE1 4.25Å; F541-F621 HydrophobicContact CB-CE2 3.51Å; F541-F621 HydrophobicContact CB-CZ 3.67Å; F541-F621 HydrophobicContact CD2-CD1 4.33Å; F541-F621 HydrophobicContact CD2-CE1 4.32Å; F541-F621 HydrophobicContact CG-CZ 4.41Å; Y542-F621 HydrophobicContact CD1-CD2 4.25Å; Y542-F621 HydrophobicContact CD2-CD2 4.18Å; Y542-F621 HydrophobicContact CE1-CD2 4.08Å; Y542-F621 HydrophobicContact CE2-CB 4.33Å; Y542-F621 AromaticContact CE2-CD2 3.98Å; Y542-F621 HydrophobicContact CE2-CD2 3.98Å; Y542-F621 HydrophobicContact CG-CD2 4.29Å; Y542-F621 AromaticContact CZ-CD2 3.92Å; Y542-F621 WeakPolarHBondContact OH-CA 3.28Å; I545-F621 HydrophobicContact CD1-CZ 4.48Å; I545-F621 HydrophobicContact CG1-CE2 3.97Å; I545-F621 HydrophobicContact CG1-CZ 3.82Å; I564-F621 HydrophobicContact CD1-CE1 4.37Å; I564-F621 HydrophobicContact CD1-CZ 3.9Å; I564-F621 HydrophobicContact CG2-CE1 4.27Å; Q617-F621 WeakPolarHBondContact O-CB 3.41Å; Q617-F621 PolarHBondContact O-N 3.5Å; S618-F621 PolarHBondContact O-N 2.93Å; D619-F621 VanDerWaalsContact C-N 3.3Å; D619-F621 PolarHBondContact O-N 3.48Å; F621-Y624 PolarHBondContact O-N 3.26Å; F621-V625 HydrophobicContact CD1-CG2 4.37Å; F621-V625 HydrophobicContact CD2-CG2 4.15Å; F621-V625 HydrophobicContact CE1-CG2 3.86Å; F621-V625 HydrophobicContact CE2-CG2 3.59Å; F621-V625 HydrophobicContact CZ-CG2 3.42Å; F621-V625 VanDerWaalsContact CZ-CG2 3.42Å; F621-V625 WeakPolarHBondContact O-CG2 3.33Å; F621-V625 PolarHBondContact O-N 3.45Å; F621-M730 HydrophobicContact CD1-CE 3.77Å; F621-M730 HydrophobicContact CD1-SD 4.16Å; F621-M730 HydrophobicContact CE1-CE 4.47Å; F621-M730 HydrophobicContact CE1-SD 4.47Å
622V83.6Confident82.1Confident26 Ų2636.7 Ų36.716%0.15819%0.191CC..Hα-helixtrans-61.3-46.2176.5171.40000110.5S618 D619 Y624 V625 M626 L727 M730S618-V622 VanDerWaalsContact O-CG2 3.31Å; S618-V622 WeakPolarHBondContact O-CG2 3.1Å; S618-V622 PolarHBondContact O-N 3.04Å; D619-V622 WeakPolarHBondContact O-CB 3.44Å; D619-V622 PolarHBondContact O-N 2.86Å; D619-V622 VanDerWaalsContact O-N 3.12Å; V622-Y624 PolarHBondContact O-N 3.42Å; V622-V625 PolarHBondContact O-N 2.94Å; V622-M626 HydrophobicContact CG1-CG 4.36Å; V622-M626 WeakPolarHBondContact O-CB 3.3Å; V622-M626 VanDerWaalsContact O-CG 3.25Å; V622-M626 WeakPolarHBondContact O-CG 3.27Å; V622-M626 PolarHBondContact O-N 3.21Å; V622-L727 HydrophobicContact CG1-CB 4.04Å; V622-L727 HydrophobicContact CG1-CD1 4.34Å; V622-L727 HydrophobicContact CG1-CD2 4.24Å; V622-L727 HydrophobicContact CG1-CG 4.44Å; V622-L727 HydrophobicContact CG2-CD2 4.02Å; V622-M730 HydrophobicContact CG2-CG 4.45Å; V622-M730 HydrophobicContact CG2-SD 4.04Å
623E80.8Confident81.9Confident140 Ų14036.8 Ų36.865%0.65419%0.192SC*.Hα-helixtrans-61-44176.5-71.4-172.1166.700112.3D619 V620 M626 S627D619-E623 PolarHBondContact O-N 3.1Å; V620-E623 PolarHBondContact O-N 3.48Å; E623-M626 PolarHBondContact O-N 2.98Å; E623-S627 WeakPolarHBondContact O-CB 3.49Å; E623-S627 PolarHBondContact O-N 3.49Å
624Y83.6Confident81.6Confident67 Ų6737.2 Ų37.226%0.26320%0.197SC..Hα-helixtrans-58.3-50.7175.9170.5-103.2000111.9Y542 I545 H546 V620 F621 V622 M626 S627 K628Y542-Y624 AromaticContact CD1-CD1 3.64Å; Y542-Y624 HydrophobicContact CD1-CD1 3.64Å; Y542-Y624 AromaticContact CD1-CE1 3.58Å; Y542-Y624 HydrophobicContact CD1-CE1 3.58Å; Y542-Y624 HydrophobicContact CD1-CG 4.31Å; Y542-Y624 AromaticContact CE1-CD1 3.34Å; Y542-Y624 HydrophobicContact CE1-CD1 3.34Å; Y542-Y624 HydrophobicContact CE1-CD2 4.27Å; Y542-Y624 AromaticContact CE1-CE1 3.77Å; Y542-Y624 HydrophobicContact CE1-CE1 3.77Å; Y542-Y624 AromaticContact CE1-CG 3.61Å; Y542-Y624 HydrophobicContact CE1-CG 3.61Å; I545-Y624 HydrophobicContact CG2-CE1 4.49Å; H546-Y624 PolarHBondContact CE1-OH 3.09Å; H546-Y624 AromaticContact NE2-CZ 3.79Å; H546-Y624 PolarHBondContact NE2-OH 3.27Å; V620-Y624 WeakPolarHBondContact O-CB 3.41Å; V620-Y624 PolarHBondContact O-N 3.49Å; F621-Y624 PolarHBondContact O-N 3.26Å; V622-Y624 PolarHBondContact O-N 3.42Å; Y624-M626 VanDerWaalsContact C-N 3.35Å; Y624-M626 PolarHBondContact O-N 2.96Å; Y624-S627 PolarHBondContact O-N 2.6Å; Y624-K628 HydrophobicContact CE1-CD 4.15Å; Y624-K628 HydrophobicContact CE2-CD 4.27Å; Y624-K628 VanDerWaalsContact O-CB 3.31Å; Y624-K628 WeakPolarHBondContact O-CB 3.44Å; Y624-K628 PolarHBondContact O-N 3.45Å; Y624-K628 WeakPolarHBondContact OH-CD 3.34Å; Y624-K628 PolarHBondContact OH-NZ 3.25Å
625V83.8Confident81.2Confident0 Ų040.9 Ų40.90%021%0.213CC..Hα-helixtrans-60.9-46.9178.7172.30000110I545 L561 F621 V622 S627 K628 C629I545-V625 HydrophobicContact CD1-CG2 4.25Å; I545-V625 HydrophobicContact CG1-CG2 4.04Å; I545-V625 HydrophobicContact CG2-CG2 4.49Å; L561-V625 HydrophobicContact CD2-CG1 4.23Å; F621-V625 HydrophobicContact CD1-CG2 4.37Å; F621-V625 HydrophobicContact CD2-CG2 4.15Å; F621-V625 HydrophobicContact CE1-CG2 3.86Å; F621-V625 HydrophobicContact CE2-CG2 3.59Å; F621-V625 HydrophobicContact CZ-CG2 3.42Å; F621-V625 VanDerWaalsContact CZ-CG2 3.42Å; F621-V625 WeakPolarHBondContact O-CG2 3.33Å; F621-V625 PolarHBondContact O-N 3.45Å; V622-V625 PolarHBondContact O-N 2.94Å; V625-S627 PolarHBondContact O-N 2.82Å; V625-K628 PolarHBondContact O-N 2.76Å; V625-C629 WeakPolarHBondContact O-CB 3.3Å; V625-C629 PolarHBondContact O-N 3.1Å; V625-C629 PolarHBondContact O-SG 3.29Å
626M82.1Confident80.6Confident34 Ų3441 Ų4117%0.16721%0.214CC..Hα-helixtrans-61.3-45.3-179.3-74.2-55-62.300112.5V622 E623 Y624 S630 L696 P699 L727V622-M626 HydrophobicContact CG1-CG 4.36Å; V622-M626 WeakPolarHBondContact O-CB 3.3Å; V622-M626 VanDerWaalsContact O-CG 3.25Å; V622-M626 WeakPolarHBondContact O-CG 3.27Å; V622-M626 PolarHBondContact O-N 3.21Å; E623-M626 PolarHBondContact O-N 2.98Å; Y624-M626 VanDerWaalsContact C-N 3.35Å; Y624-M626 PolarHBondContact O-N 2.96Å; M626-S630 WeakPolarHBondContact O-CB 3.47Å; M626-S630 PolarHBondContact O-N 2.94Å; M626-L696 HydrophobicContact CE-CD2 4.38Å; M626-L696 HydrophobicContact SD-CD2 3.64Å; M626-P699 HydrophobicContact CE-CB 3.58Å; M626-P699 HydrophobicContact CE-CG 4.09Å; M626-L727 HydrophobicContact CG-CD1 3.88Å; M626-L727 HydrophobicContact SD-CD1 3.31Å; M626-L727 WeakPolarHBondContact SD-CD1 3.33Å
627S78.7Confident80.2Confident71 Ų7140.3 Ų40.350%0.49721%0.207SC..Hα-helixtrans-61.7-49.4176.8179.60000111.6E623 Y624 V625 C629 S630 N631E623-S627 WeakPolarHBondContact O-CB 3.49Å; E623-S627 PolarHBondContact O-N 3.49Å; Y624-S627 PolarHBondContact O-N 2.6Å; V625-S627 PolarHBondContact O-N 2.82Å; S627-C629 PolarHBondContact O-N 3.06Å; S627-S630 PolarHBondContact O-N 2.9Å; S627-N631 PolarHBondContact O-N 2.96Å; S627-N631 PolarHBondContact O-ND2 2.89Å
628K78.1Confident79.8Confident52 Ų5243.5 Ų43.523%0.22623%0.225CC..Hα-helixtrans-65.5-42.4-179-166.5173.3-175.5173.30112.5H546 F549 Y624 V625 W632H546-K628 PolarHBondContact CE1-NZ 2.95Å; H546-K628 PolarHBondContact ND1-NZ 3.3Å; H546-K628 VanDerWaalsContact ND1-NZ 3.18Å; F549-K628 HydrophobicContact CD2-CD 4.17Å; F549-K628 HydrophobicContact CE1-CG 4.28Å; F549-K628 HydrophobicContact CE2-CD 3.73Å; F549-K628 HydrophobicContact CE2-CG 3.91Å; F549-K628 HydrophobicContact CZ-CB 4.39Å; F549-K628 HydrophobicContact CZ-CD 4.04Å; F549-K628 HydrophobicContact CZ-CG 3.69Å; Y624-K628 HydrophobicContact CE1-CD 4.15Å; Y624-K628 HydrophobicContact CE2-CD 4.27Å; Y624-K628 VanDerWaalsContact O-CB 3.31Å; Y624-K628 WeakPolarHBondContact O-CB 3.44Å; Y624-K628 PolarHBondContact O-N 3.45Å; Y624-K628 WeakPolarHBondContact OH-CD 3.34Å; Y624-K628 PolarHBondContact OH-NZ 3.25Å; V625-K628 PolarHBondContact O-N 2.76Å; K628-W632 WeakPolarHBondContact O-CB 3.2Å; K628-W632 PolarHBondContact O-N 3.41Å; K628-W632 VanDerWaalsContact O-N 3.16Å
629C82.5Confident79Confident0 Ų043.5 Ų43.50%023%0.226CC..Hα-helixtrans-67.9-43.6178.1-65.10000111.8I557 V625 S627 N631 W632 L633 L696I557-C629 VanDerWaalsContact CD1-SG 3.54Å; V625-C629 WeakPolarHBondContact O-CB 3.3Å; V625-C629 PolarHBondContact O-N 3.1Å; V625-C629 PolarHBondContact O-SG 3.29Å; S627-C629 PolarHBondContact O-N 3.06Å; C629-N631 PolarHBondContact O-N 2.76Å; C629-W632 PolarHBondContact O-N 3.06Å; C629-L633 HydrophobicContact CB-CD1 4Å; C629-L633 WeakPolarHBondContact O-CB 3.48Å; C629-L633 VanDerWaalsContact O-CG 3.27Å; C629-L633 WeakPolarHBondContact O-CG 3.38Å; C629-L633 PolarHBondContact O-N 3.11Å; C629-L696 HydrophobicContact CB-CB 4.29Å
630S77.9Confident78Confident25 Ų2543.6 Ų43.618%0.17523%0.231CC..Hα-helixtrans-61.9-45.4-178.5-175.30000111.3M626 S627 S634 L696 A697M626-S630 WeakPolarHBondContact O-CB 3.47Å; M626-S630 PolarHBondContact O-N 2.94Å; S627-S630 PolarHBondContact O-N 2.9Å; S630-S634 WeakPolarHBondContact O-CB 3.02Å; S630-S634 PolarHBondContact O-N 2.91Å; S630-S634 VanDerWaalsContact O-N 3.12Å; S630-S634 PolarHBondContact O-OG 3.28Å; S630-L696 WeakPolarHBondContact CA-O 3.32Å; S630-A697 PolarHBondContact OG-O 2.91Å
631N75.3Confident76.7Confident109 Ų10946.5 Ų46.558%0.58324%0.244SC*.Hα-helixtrans-65.3-47178.7-67.5-18.7000112.2S627 C629 S634 F635S627-N631 PolarHBondContact O-N 2.96Å; S627-N631 PolarHBondContact O-ND2 2.89Å; C629-N631 PolarHBondContact O-N 2.76Å; N631-S634 PolarHBondContact O-OG 3.21Å; N631-F635 PolarHBondContact O-N 3.32Å
632W78.2Confident75.5Confident55 Ų5549.1 Ų49.121%0.20826%0.258CS..Hα-helixtrans-74.5-47.3-177.1-179.4-103.5000113.4F549 G553 K628 C629 S634 F635 V636 M670 L678F549-W632 AromaticContact CD1-CD1 3.96Å; F549-W632 HydrophobicContact CD1-CG 4.14Å; F549-W632 HydrophobicContact CE1-CB 3.75Å; F549-W632 AromaticContact CE1-CD1 3.55Å; F549-W632 HydrophobicContact CE1-CD2 4.46Å; F549-W632 AromaticContact CE1-CG 3.64Å; F549-W632 HydrophobicContact CE1-CG 3.64Å; G553-W632 PolarHBondContact O-NE1 3.1Å; K628-W632 WeakPolarHBondContact O-CB 3.2Å; K628-W632 PolarHBondContact O-N 3.41Å; K628-W632 VanDerWaalsContact O-N 3.16Å; C629-W632 PolarHBondContact O-N 3.06Å; W632-S634 VanDerWaalsContact C-N 3.33Å; W632-S634 PolarHBondContact O-N 3.34Å; W632-F635 WeakPolarHBondContact O-CB 3.21Å; W632-F635 PolarHBondContact O-N 3.46Å; W632-V636 HydrophobicContact CD2-CG2 4.48Å; W632-V636 HydrophobicContact CZ2-CG2 4.37Å; W632-V636 WeakPolarHBondContact O-CG2 3.26Å; W632-V636 PolarHBondContact O-N 2.81Å; W632-M670 HydrophobicContact CH2-CB 4.07Å; W632-M670 HydrophobicContact CH2-CG 3.9Å; W632-L678 HydrophobicContact CZ2-CD1 4.04Å
633L80.3Confident74.4Confident3 Ų348 Ų482%0.01625%0.252CS..Hα-helixtrans-70.1-32.1-176.9-63.3172.6000111.4A554 C629 F635 V636 L637 I693 L696 A697A554-L633 HydrophobicContact CB-CD2 4.26Å; C629-L633 HydrophobicContact CB-CD1 4Å; C629-L633 WeakPolarHBondContact O-CB 3.48Å; C629-L633 VanDerWaalsContact O-CG 3.27Å; C629-L633 WeakPolarHBondContact O-CG 3.38Å; C629-L633 PolarHBondContact O-N 3.11Å; L633-F635 VanDerWaalsContact C-N 3.34Å; L633-V636 PolarHBondContact O-N 3.14Å; L633-L637 WeakPolarHBondContact O-CB 3.17Å; L633-L637 VanDerWaalsContact O-CG 3.23Å; L633-L637 WeakPolarHBondContact O-CG 3.37Å; L633-L637 PolarHBondContact O-N 3.16Å; L633-I693 HydrophobicContact CB-CG2 4.49Å; L633-I693 HydrophobicContact CD1-CG2 4.2Å; L633-I693 HydrophobicContact CD2-CG2 3.98Å; L633-I693 HydrophobicContact CG-CG2 4.45Å; L633-L696 HydrophobicContact CD1-CB 3.76Å; L633-L696 HydrophobicContact CD1-CD1 4.44Å; L633-A697 HydrophobicContact CB-CB 3.78Å
634S77.1Confident73.4Confident28 Ų2841.4 Ų41.420%0.19622%0.221CC..Hα-helixtrans-63.9-40171.463.10000111.7S630 N631 W632 L637 N638S630-S634 WeakPolarHBondContact O-CB 3.02Å; S630-S634 PolarHBondContact O-N 2.91Å; S630-S634 VanDerWaalsContact O-N 3.12Å; S630-S634 PolarHBondContact O-OG 3.28Å; N631-S634 PolarHBondContact O-OG 3.21Å; W632-S634 VanDerWaalsContact C-N 3.33Å; W632-S634 PolarHBondContact O-N 3.34Å; S634-L637 PolarHBondContact O-N 3.01Å; S634-N638 VanDerWaalsContact O-CB 3.31Å; S634-N638 WeakPolarHBondContact O-CB 3.43Å; S634-N638 PolarHBondContact O-N 3.01Å; S634-N638 PolarHBondContact O-ND2 2.93Å
635F76.3Confident72.1Confident77 Ų7740.2 Ų40.234%0.33822%0.22SC..Hα-helixtrans-61.6-47.1172.9176.6-102.1000111.9N631 W632 L633 N638 S639N631-F635 PolarHBondContact O-N 3.32Å; W632-F635 WeakPolarHBondContact O-CB 3.21Å; W632-F635 PolarHBondContact O-N 3.46Å; L633-F635 VanDerWaalsContact C-N 3.34Å; F635-N638 PolarHBondContact O-N 2.8Å; F635-S639 PolarHBondContact O-N 3.31Å; F635-S639 PolarHBondContact O-OG 3.4Å
636V73.8Confident70.4Confident4 Ų446.9 Ų46.92%0.02425%0.25CC..Hα-helixtrans-62.1-46178173.80000111.4W632 L633 N638 S639 L678W632-V636 HydrophobicContact CD2-CG2 4.48Å; W632-V636 HydrophobicContact CZ2-CG2 4.37Å; W632-V636 WeakPolarHBondContact O-CG2 3.26Å; W632-V636 PolarHBondContact O-N 2.81Å; L633-V636 PolarHBondContact O-N 3.14Å; V636-N638 VanDerWaalsContact C-N 3.31Å; V636-N638 PolarHBondContact O-N 3.26Å; V636-S639 WeakPolarHBondContact O-CB 3.49Å; V636-S639 PolarHBondContact O-N 2.97Å; V636-L678 HydrophobicContact CG1-CB 3.86Å; V636-L678 HydrophobicContact CG2-CB 4.5Å; V636-L678 HydrophobicContact CG2-CD1 4.4Å
637L75.9Confident68.4Low17 Ų1751.3 Ų51.39%0.08927%0.274CS..Hα-helixtrans-66.8-30.4-179.6-70173.1000113.3L633 S634 S639 Y679 I693 A697L633-L637 WeakPolarHBondContact O-CB 3.17Å; L633-L637 VanDerWaalsContact O-CG 3.23Å; L633-L637 WeakPolarHBondContact O-CG 3.37Å; L633-L637 PolarHBondContact O-N 3.16Å; S634-L637 PolarHBondContact O-N 3.01Å; L637-S639 VanDerWaalsContact C-N 3.33Å; L637-Y679 HydrophobicContact CD2-CD2 4.16Å; L637-Y679 HydrophobicContact CD2-CE2 4.12Å; L637-I693 HydrophobicContact CD1-CG2 4.46Å; L637-A697 HydrophobicContact CD1-CB 3.55Å
638N74.2Confident66.5Low107 Ų10757.7 Ų57.757%0.57229%0.287SS*.G310 helixtrans-85-4.1176.6-68.3-23000113.5S634 F635 V636 A640S634-N638 VanDerWaalsContact O-CB 3.31Å; S634-N638 WeakPolarHBondContact O-CB 3.43Å; S634-N638 PolarHBondContact O-N 3.01Å; S634-N638 PolarHBondContact O-ND2 2.93Å; F635-N638 PolarHBondContact O-N 2.8Å; V636-N638 VanDerWaalsContact C-N 3.31Å; V636-N638 PolarHBondContact O-N 3.26Å; N638-A640 PolarHBondContact O-N 3.32Å
639S66.7Low64.3Low1 Ų159.7 Ų59.71%0.00730%0.304CS..G310 helixtrans-75.5-7.8-174-69.90000114.6F635 V636 L637 D641 N642 S675 C676F635-S639 PolarHBondContact O-N 3.31Å; F635-S639 PolarHBondContact O-OG 3.4Å; V636-S639 WeakPolarHBondContact O-CB 3.49Å; V636-S639 PolarHBondContact O-N 2.97Å; L637-S639 VanDerWaalsContact C-N 3.33Å; S639-D641 PolarHBondContact O-N 3.37Å; S639-D641 VanDerWaalsContact O-N 3.11Å; S639-N642 PolarHBondContact O-N 3.44Å; S639-S675 VanDerWaalsContact CB-OG 3.23Å; S639-S675 WeakPolarHBondContact CB-OG 3.32Å; S639-S675 WeakPolarHBondContact OG-CB 3.39Å; S639-S675 PolarHBondContact OG-OG 3.32Å; S639-C676 PolarHBondContact O-SG 3.04Å
640A60.7Low61.8Low34 Ų3466 Ų6628%0.28134%0.338SS..G310 helixtrans-54.5-33-178.200000113.6N638 Y679N638-A640 PolarHBondContact O-N 3.32Å; A640-Y679 HydrophobicContact CB-CD1 4.16Å; A640-Y679 HydrophobicContact CB-CE1 3.67Å
641D56.4Low59.6Low126 Ų12670.4 Ų70.467%0.67436%0.358SS*.G310 helixtrans-84.8-19.9-173.7-68.5-23.2000114.1K477 S639 V643K477-D641 PolarHBondContact NZ-O 3.23Å; K477-D641 VanDerWaalsContact NZ-O 3.15Å; S639-D641 PolarHBondContact O-N 3.37Å; S639-D641 VanDerWaalsContact O-N 3.11Å; D641-V643 PolarHBondContact O-N 3.03Å
642N58.9Low57.3Low55 Ų5571.2 Ų71.229%0.29436%0.362SS..G310 helixtrans-90.63.6-168.2-67.6-16.8000114.5S639 L644 T645S639-N642 PolarHBondContact O-N 3.44Å; N642-L644 PolarHBondContact O-N 2.84Å; N642-T645 PolarHBondContact O-N 2.95Å; N642-T645 PolarHBondContact O-OG1 3.48Å
643V61.1Low55Low4 Ų476.3 Ų76.32%0.02439%0.386CS..THydrogen-bonded Turntrans-57.1127.8177.8-179.30000110.5F480 I481 D641 T645 C676F480-V643 HydrophobicContact CD1-CG1 3.5Å; F480-V643 VanDerWaalsContact CD1-CG1 3.5Å; F480-V643 HydrophobicContact CE1-CG1 4.05Å; I481-V643 HydrophobicContact CG1-CG2 4.45Å; D641-V643 PolarHBondContact O-N 3.03Å; V643-T645 PolarHBondContact O-N 3.35Å; V643-C676 HydrophobicContact CG2-CB 4.12Å; V643-C676 WeakPolarHBondContact CG2-SG 3.45Å
644L60.2Low52.6Low1 Ų182.4 Ų82.41%0.00542%0.417CS..THydrogen-bonded Turntrans66.76.5-179.4-59.7151.1000115.9E435 L438 Y442 F476 F480 N642E435-L644 HydrophobicContact CG-CD2 4.02Å; L438-L644 HydrophobicContact CB-CD2 4Å; Y442-L644 HydrophobicContact CD1-CB 3.89Å; Y442-L644 VanDerWaalsContact CD1-O 3.23Å; Y442-L644 WeakPolarHBondContact CD1-O 3.48Å; Y442-L644 HydrophobicContact CD2-CB 4.02Å; Y442-L644 HydrophobicContact CD2-CD1 4.02Å; Y442-L644 HydrophobicContact CE1-CB 4.19Å; Y442-L644 WeakPolarHBondContact CE1-O 3.39Å; Y442-L644 HydrophobicContact CE2-CB 4.3Å; Y442-L644 HydrophobicContact CE2-CD1 4.46Å; Y442-L644 HydrophobicContact CG-CB 3.81Å; Y442-L644 HydrophobicContact CG-CD1 4.44Å; F476-L644 HydrophobicContact CD1-CD1 3.56Å; F476-L644 HydrophobicContact CE1-CD1 3.41Å; F476-L644 VanDerWaalsContact CE1-CD1 3.41Å; F476-L644 HydrophobicContact CE1-CD2 4.21Å; F476-L644 HydrophobicContact CE1-CG 4.41Å; F480-L644 HydrophobicContact CB-CD1 4.29Å; F480-L644 HydrophobicContact CD1-CD1 4.26Å; F480-L644 HydrophobicContact CD1-CD2 4.42Å; F480-L644 HydrophobicContact CD1-CG 4.17Å; F480-L644 HydrophobicContact CE1-CD2 4.4Å; F480-L644 HydrophobicContact CE1-CG 4.44Å; F480-L644 HydrophobicContact CG-CD1 4.38Å; N642-L644 PolarHBondContact O-N 2.84Å
645T55.5Low50.3Low41 Ų4187.9 Ų87.925%0.25245%0.45SS..  trans-79.1130177.262.90000110.8N642 V643 D647N642-T645 PolarHBondContact O-N 2.95Å; N642-T645 PolarHBondContact O-OG1 3.48Å; V643-T645 PolarHBondContact O-N 3.35Å; T645-D647 PolarHBondContact O-N 3.29Å
646K48.5Very low48Very low141 Ų14191 Ų9161%0.61347%0.47SS*.  trans-82.56.6-173.4-141.9179.6-175.7-179.60113.3I439 R648I439-K646 HydrophobicContact CG2-CD 3.89Å; I439-K646 HydrophobicContact CG2-CG 4.12Å; K646-R648 PolarHBondContact O-N 3.45Å
647D39.9Very low46Very low127 Ų12797.9 Ų97.968%0.67951%0.507SS*.  trans-73.771.9-176.1-75.8-9.5000110.5T645 T649T645-D647 PolarHBondContact O-N 3.29Å; D647-T649 PolarHBondContact O-N 2.89Å; D647-T649 VanDerWaalsContact O-N 3.1Å
648R40Very low43.8Very low204 Ų204104 Ų10477%0.7754%0.539SS*.  trans-70.116.4162-73-175.3172.7174.9-1111.8K646K646-R648 PolarHBondContact O-N 3.45Å
649T31.6Very low41.9Very low94 Ų94106.9 Ų106.958%0.57755%0.549SS*.SBendtrans-123.1109.4-17252.10000110.7D647D647-T649 PolarHBondContact O-N 2.89Å; D647-T649 VanDerWaalsContact O-N 3.1Å
650N28.8Very low40.2Very low133 Ų133113 Ų11371%0.71158%0.581SS**  trans61.857.4151.3-60.4-15.3000118.3N652N650-N652 PolarHBondContact O-N 3.2Å
651I31.7Very low38.7Very low117 Ų117118.1 Ų118.160%0.660%0.604SS**  trans-80.866.1144.2-57-177.8000107.3F653I651-F653 HydrophobicContact CB-CD2 4.36Å; I651-F653 HydrophobicContact CG2-CB 3.98Å; I651-F653 HydrophobicContact CG2-CD2 3.71Å; I651-F653 HydrophobicContact CG2-CG 4.3Å; I651-F653 PolarHBondContact O-N 3.47Å; I651-F653 VanDerWaalsContact O-N 3.17Å
652N28.1Very low37.2Very low126 Ų126120.7 Ų120.767%0.67461%0.614SS**  trans-77.373.1152.4-79.1-9.3000105.8N650N650-N652 PolarHBondContact O-N 3.2Å
653F30.3Very low35.9Very low162 Ų162125.1 Ų125.171%0.71164%0.637SS**  trans-10197.8169.4-87.2-87000109.4I651I651-F653 HydrophobicContact CB-CD2 4.36Å; I651-F653 HydrophobicContact CG2-CB 3.98Å; I651-F653 HydrophobicContact CG2-CD2 3.71Å; I651-F653 HydrophobicContact CG2-CG 4.3Å; I651-F653 PolarHBondContact O-N 3.47Å; I651-F653 VanDerWaalsContact O-N 3.17Å
654I29.1Very low34.4Very low132 Ų132133.6 Ų133.668%0.67768%0.677SS**  trans76.772.4148.4-40.9168.2000115.1
655T29.1Very low32.9Very low142 Ų142140.4 Ų140.487%0.87171%0.713SS**  -107.693125.547.40000107.3D657T655-D657 PolarHBondContact O-N 3.12Å
656N27.2Very low31.7Very low143 Ų143145.1 Ų145.177%0.76574%0.737SS**  trans-66.297.1152.9-84.8-14.7000105.2
657D31.3Very low30.8Very low149 Ų149143.4 Ų143.480%0.79773%0.734SS**  -162.8139.1118.1-92.3-30.4000111.2T655T655-D657 PolarHBondContact O-N 3.12Å
658N31.3Very low30.3Very low145 Ų145143.5 Ų143.578%0.77573%0.734SS**  trans-62.9149.8-169.9-64.2-69.2000111.7
659Q34.7Very low30.1Very low167 Ų167142.2 Ų142.278%0.7873%0.73SS**  trans98.7110.2155-64.1-179.515.900118.1
660I29.7Very low30.4Very low129 Ų129141.3 Ų141.366%0.66272%0.721SS**  trans76.187.7130.7-54.5164.6000115.1
661N29.8Very low31.3Very low143 Ų143136.9 Ų136.977%0.76570%0.699SS**  170131100.1-97.4-27.4000110.7N663N661-N663 PolarHBondContact O-N 3.47Å
662M25.6Very low32.8Very low180 Ų180133.7 Ų133.789%0.88769%0.685SS**  trans-65.1111.5164.7-61.8-80.5-95.500107.5
663N29.9Very low34.9Very low148 Ų148127.8 Ų127.879%0.79165%0.653SS**  trans-142.3120.6152.6-80.6-30.5000106.8N661N661-N663 PolarHBondContact O-N 3.47Å
664E30.5Very low36.9Very low182 Ų182120.4 Ų120.485%0.8562%0.622SS**  trans-56.6128.2168.5-62.3167147.900108.5
665D28.3Very low38.8Very low144 Ų144114.2 Ų114.277%0.7759%0.591SS**  trans156.1136.3145.4-74-23.7000110.8
666D30.5Very low41Very low139 Ų139107.7 Ų107.774%0.74355%0.551SS**  trans78.531.5159.8-61.6-14.6000123.1
667N29Very low43.5Very low106 Ų106100.9 Ų100.957%0.56751%0.514SS*.  trans-94108.8155.9-79.7-23.1000110.7Y669N667-Y669 HydrophobicContact CB-CD2 3.79Å; N667-Y669 HydrophobicContact CB-CE2 3.43Å; N667-Y669 VanDerWaalsContact CB-CE2 3.43Å; N667-Y669 VanDerWaalsContact O-CD2 3.27Å; N667-Y669 WeakPolarHBondContact O-CD2 3.49Å; N667-Y669 PolarHBondContact O-N 3.04Å
668L30.4Very low45.7Very low129 Ų12994.1 Ų94.168%0.67548%0.478SS*.  trans-67.471.5177.9-148.597.7000110.9M670L668-M670 HydrophobicContact CD2-CE 4.31Å; L668-M670 PolarHBondContact O-N 3.37Å
669Y35.3Very low48Very low176 Ų17689.6 Ų89.669%0.6945%0.45SS*.  trans-69.6101.3173.5-74.9-81.6000109.2N667N667-Y669 HydrophobicContact CB-CD2 3.79Å; N667-Y669 HydrophobicContact CB-CE2 3.43Å; N667-Y669 VanDerWaalsContact CB-CE2 3.43Å; N667-Y669 VanDerWaalsContact O-CD2 3.27Å; N667-Y669 WeakPolarHBondContact O-CD2 3.49Å; N667-Y669 PolarHBondContact O-N 3.04Å
670M37.7Very low50.1Low75 Ų7582.3 Ų82.337%0.36942%0.417SS..  trans-71.6137.9168.3-86-66.411300110.2W632 L668W632-M670 HydrophobicContact CH2-CB 4.07Å; W632-M670 HydrophobicContact CH2-CG 3.9Å; L668-M670 HydrophobicContact CD2-CE 4.31Å; L668-M670 PolarHBondContact O-N 3.37Å
671P48.9Very low52.5Low40 Ų4076.4 Ų76.426%0.2639%0.386SS..  trans-53.6144.2169.7-20.529.9000111.1Q432 I673 S674Q432-P671 VanDerWaalsContact OE1-CG 3.28Å; P671-I673 HydrophobicContact CB-CG2 4.48Å; P671-I673 PolarHBondContact O-N 2.94Å; P671-S674 WeakPolarHBondContact O-CB 3.29Å; P671-S674 PolarHBondContact O-N 3.37Å
672T62.5Low54.8Low50 Ų5069.8 Ų69.831%0.30735%0.351SS..Hα-helixtrans-50.1-30.3178.636.60000113.6S675 C676T672-S675 PolarHBondContact O-OG 3.29Å; T672-C676 PolarHBondContact O-N 3.04Å; T672-C676 PolarHBondContact O-SG 3.24Å
673I72.9Confident57.4Low2 Ų264.7 Ų64.71%0.0133%0.327CS..Hα-helixtrans-70.6-32.4176.1-150153.8000113.3L431 Q432 E435 F480 I484 P671 S675 C676 V677L431-I673 HydrophobicContact CB-CD1 4.15Å; L431-I673 WeakPolarHBondContact O-CD1 3.47Å; Q432-I673 HydrophobicContact CB-CG2 4.01Å; Q432-I673 HydrophobicContact CG-CG2 4.5Å; E435-I673 HydrophobicContact CB-CD1 3.59Å; E435-I673 HydrophobicContact CG-CD1 3.98Å; E435-I673 WeakPolarHBondContact OE2-CB 3.46Å; F480-I673 HydrophobicContact CE1-CD1 3.57Å; F480-I673 HydrophobicContact CE1-CG1 4.42Å; F480-I673 HydrophobicContact CZ-CD1 3.49Å; F480-I673 VanDerWaalsContact CZ-CD1 3.49Å; I484-I673 HydrophobicContact CD1-CG1 4.34Å; P671-I673 HydrophobicContact CB-CG2 4.48Å; P671-I673 PolarHBondContact O-N 2.94Å; I673-S675 VanDerWaalsContact C-N 3.32Å; I673-S675 PolarHBondContact O-N 2.79Å; I673-C676 CarbonylContact O-C 3.45Å; I673-C676 WeakPolarHBondContact O-CB 3.27Å; I673-C676 PolarHBondContact O-N 3.36Å; I673-V677 WeakPolarHBondContact O-CB 3.27Å; I673-V677 VanDerWaalsContact O-CG2 3.27Å; I673-V677 WeakPolarHBondContact O-CG2 3.22Å; I673-V677 PolarHBondContact O-N 3.43Å
674S70.3Confident59.7Low8 Ų862.4 Ų62.46%0.05631%0.31CS..Hα-helixtrans-64.9-39.5-178.9-57.60000110.6V428 P671 V677 L678V428-S674 WeakPolarHBondContact CG1-OG 3.22Å; P671-S674 WeakPolarHBondContact O-CB 3.29Å; P671-S674 PolarHBondContact O-N 3.37Å; S674-V677 PolarHBondContact O-N 2.9Å; S674-L678 WeakPolarHBondContact O-CB 3.39Å; S674-L678 WeakPolarHBondContact O-CG 3.17Å; S674-L678 PolarHBondContact O-N 3.49Å
675S70.3Confident62.1Low2 Ų255.1 Ų55.11%0.01428%0.276CS..Hα-helixtrans-68.5-35.8174.663.90000112.3S639 T672 I673 L678 Y679S639-S675 VanDerWaalsContact CB-OG 3.23Å; S639-S675 WeakPolarHBondContact CB-OG 3.32Å; S639-S675 WeakPolarHBondContact OG-CB 3.39Å; S639-S675 PolarHBondContact OG-OG 3.32Å; T672-S675 PolarHBondContact O-OG 3.29Å; I673-S675 VanDerWaalsContact C-N 3.32Å; I673-S675 PolarHBondContact O-N 2.79Å; S675-L678 PolarHBondContact O-N 3.44Å; S675-Y679 VanDerWaalsContact O-CB 3.31Å; S675-Y679 WeakPolarHBondContact O-CB 3.27Å; S675-Y679 PolarHBondContact O-N 2.99Å
676C74.9Confident64.4Low4 Ų451.2 Ų51.23%0.02726%0.26CS..Hα-helixtrans-64.8-41.3172.1-61.60000112.2S639 V643 T672 I673 Y679 Q680S639-C676 PolarHBondContact O-SG 3.04Å; V643-C676 HydrophobicContact CG2-CB 4.12Å; V643-C676 WeakPolarHBondContact CG2-SG 3.45Å; T672-C676 PolarHBondContact O-N 3.04Å; T672-C676 PolarHBondContact O-SG 3.24Å; I673-C676 CarbonylContact O-C 3.45Å; I673-C676 WeakPolarHBondContact O-CB 3.27Å; I673-C676 PolarHBondContact O-N 3.36Å; C676-Y679 WeakPolarHBondContact O-CB 3.32Å; C676-Y679 PolarHBondContact O-N 3.06Å; C676-Q680 VanDerWaalsContact O-CG 3.32Å; C676-Q680 WeakPolarHBondContact O-CG 3.41Å; C676-Q680 PolarHBondContact O-N 3.08Å
677V79.7Confident66.5Low0 Ų048.9 Ų48.90%025%0.251CS..Hα-helixtrans-61.5-47.2174.71670000110.2F424 V428 L431 I484 I488 I673 S674 Y679 Q680 L681F424-V677 HydrophobicContact CE2-CG1 3.77Å; F424-V677 HydrophobicContact CZ-CG1 3.71Å; V428-V677 HydrophobicContact CG2-CG1 4.05Å; L431-V677 HydrophobicContact CD1-CG2 3.6Å; I484-V677 HydrophobicContact CG2-CG2 3.99Å; I488-V677 HydrophobicContact CD1-CB 4.13Å; I488-V677 HydrophobicContact CD1-CG1 3.69Å; I488-V677 HydrophobicContact CD1-CG2 4.37Å; I488-V677 VanDerWaalsContact CD1-O 3.31Å; I488-V677 WeakPolarHBondContact CD1-O 3.12Å; I488-V677 HydrophobicContact CG1-CG1 3.85Å; I673-V677 WeakPolarHBondContact O-CB 3.27Å; I673-V677 VanDerWaalsContact O-CG2 3.27Å; I673-V677 WeakPolarHBondContact O-CG2 3.22Å; I673-V677 PolarHBondContact O-N 3.43Å; S674-V677 PolarHBondContact O-N 2.9Å; V677-Y679 VanDerWaalsContact C-N 3.33Å; V677-Y679 PolarHBondContact O-N 3.15Å; V677-Q680 PolarHBondContact O-N 2.81Å; V677-L681 HydrophobicContact CG1-CD1 4.24Å; V677-L681 WeakPolarHBondContact O-CB 3.23Å; V677-L681 PolarHBondContact O-N 2.96Å
678L78.2Confident68.6Low8 Ų846.8 Ų46.84%0.04224%0.24CC..Hα-helixtrans-63.1-40.7177.7-68.1171.1000111.4F424 I555 W632 V636 S674 S675 L681 T682F424-L678 HydrophobicContact CZ-CD2 4.45Å; I555-L678 HydrophobicContact CD1-CB 4.27Å; I555-L678 HydrophobicContact CD1-CD2 3.37Å; I555-L678 HydrophobicContact CD1-CG 4.42Å; I555-L678 HydrophobicContact CG1-CD2 4.1Å; W632-L678 HydrophobicContact CZ2-CD1 4.04Å; V636-L678 HydrophobicContact CG1-CB 3.86Å; V636-L678 HydrophobicContact CG2-CB 4.5Å; V636-L678 HydrophobicContact CG2-CD1 4.4Å; S674-L678 WeakPolarHBondContact O-CB 3.39Å; S674-L678 WeakPolarHBondContact O-CG 3.17Å; S674-L678 PolarHBondContact O-N 3.49Å; S675-L678 PolarHBondContact O-N 3.44Å; L678-L681 HydrophobicContact CD2-CD1 4.39Å; L678-L681 WeakPolarHBondContact O-CB 3.2Å; L678-L681 PolarHBondContact O-N 2.83Å; L678-T682 PolarHBondContact O-N 3.47Å; L678-T682 PolarHBondContact O-OG1 3.12Å
679Y79.6Confident70.8Confident49 Ų4940.9 Ų40.919%0.19221%0.209CC..Hα-helixtrans-59.4-48.5174.3178.1-108.1000112.1L637 A640 S675 C676 V677 L681 T682 L683L637-Y679 HydrophobicContact CD2-CD2 4.16Å; L637-Y679 HydrophobicContact CD2-CE2 4.12Å; A640-Y679 HydrophobicContact CB-CD1 4.16Å; A640-Y679 HydrophobicContact CB-CE1 3.67Å; S675-Y679 VanDerWaalsContact O-CB 3.31Å; S675-Y679 WeakPolarHBondContact O-CB 3.27Å; S675-Y679 PolarHBondContact O-N 2.99Å; C676-Y679 WeakPolarHBondContact O-CB 3.32Å; C676-Y679 PolarHBondContact O-N 3.06Å; V677-Y679 VanDerWaalsContact C-N 3.33Å; V677-Y679 PolarHBondContact O-N 3.15Å; Y679-L681 VanDerWaalsContact C-N 3.33Å; Y679-L681 PolarHBondContact O-N 3.44Å; Y679-T682 WeakPolarHBondContact O-CB 3.49Å; Y679-T682 PolarHBondContact O-N 3.08Å; Y679-L683 HydrophobicContact CD1-CD1 4Å; Y679-L683 HydrophobicContact CE1-CD1 3.43Å; Y679-L683 VanDerWaalsContact CE1-CD1 3.43Å; Y679-L683 HydrophobicContact CE1-CG 4.19Å; Y679-L683 HydrophobicContact CE2-CD1 4.48Å; Y679-L683 HydrophobicContact CE2-CG 4.43Å; Y679-L683 WeakPolarHBondContact O-CG 3.35Å; Y679-L683 PolarHBondContact O-N 3.24Å
680Q79Confident72.8Confident15 Ų1534.8 Ų34.87%0.0719%0.187CC..Hα-helixtrans-65.2-36.7177.6-68.7-60.8-3200112I481 I484 I488 C676 V677 L683 K684I481-Q680 HydrophobicContact CG2-CG 4.5Å; I484-Q680 HydrophobicContact CG2-CB 4.22Å; I484-Q680 HydrophobicContact CG2-CG 4.03Å; I488-Q680 HydrophobicContact CD1-CB 3.64Å; C676-Q680 VanDerWaalsContact O-CG 3.32Å; C676-Q680 WeakPolarHBondContact O-CG 3.41Å; C676-Q680 PolarHBondContact O-N 3.08Å; V677-Q680 PolarHBondContact O-N 2.81Å; Q680-L683 PolarHBondContact O-N 3.37Å; Q680-K684 WeakPolarHBondContact O-CG 3.42Å; Q680-K684 PolarHBondContact O-N 3.48Å
681L79.2Confident74.6Confident4 Ų435.4 Ų35.42%0.02119%0.189CC..Hα-helixtrans-60.4-48.9170.8-89.2168.4000111.3F424 I488 L492 I555 V677 L678 Y679 L683 K684 Q685F424-L681 HydrophobicContact CE1-CD1 4.44Å; F424-L681 HydrophobicContact CE2-CD1 3.48Å; F424-L681 VanDerWaalsContact CE2-CD1 3.48Å; F424-L681 HydrophobicContact CZ-CD1 3.41Å; F424-L681 VanDerWaalsContact CZ-CD1 3.41Å; I488-L681 HydrophobicContact CD1-CG 4.3Å; I488-L681 HydrophobicContact CG1-CG 4.33Å; I488-L681 HydrophobicContact CG2-CB 4.4Å; I488-L681 HydrophobicContact CG2-CD2 3.29Å; I488-L681 HydrophobicContact CG2-CG 3.46Å; I488-L681 VanDerWaalsContact CG2-CG 3.46Å; L492-L681 HydrophobicContact CD2-CD2 4.24Å; I555-L681 HydrophobicContact CD1-CB 3.5Å; I555-L681 HydrophobicContact CD1-CD1 3.64Å; I555-L681 HydrophobicContact CD1-CG 4.19Å; V677-L681 HydrophobicContact CG1-CD1 4.24Å; V677-L681 WeakPolarHBondContact O-CB 3.23Å; V677-L681 PolarHBondContact O-N 2.96Å; L678-L681 HydrophobicContact CD2-CD1 4.39Å; L678-L681 WeakPolarHBondContact O-CB 3.2Å; L678-L681 PolarHBondContact O-N 2.83Å; Y679-L681 VanDerWaalsContact C-N 3.33Å; Y679-L681 PolarHBondContact O-N 3.44Å; L681-L683 VanDerWaalsContact C-N 3.29Å; L681-L683 PolarHBondContact O-N 3.36Å; L681-K684 PolarHBondContact O-N 2.86Å; L681-Q685 WeakPolarHBondContact O-CG 3.28Å; L681-Q685 PolarHBondContact O-N 3.42Å; L681-Q685 VanDerWaalsContact O-N 3.16Å
682T78.9Confident75.9Confident4 Ų433.9 Ų33.93%0.02518%0.18CC..Hα-helixtrans-55.6-44.3176.8-61.10000111.2L678 Y679 K684 Q685 Q690 I693L678-T682 PolarHBondContact O-N 3.47Å; L678-T682 PolarHBondContact O-OG1 3.12Å; Y679-T682 WeakPolarHBondContact O-CB 3.49Å; Y679-T682 PolarHBondContact O-N 3.08Å; T682-K684 PolarHBondContact O-N 3.47Å; T682-Q685 WeakPolarHBondContact O-CB 3.43Å; T682-Q685 PolarHBondContact O-N 3.41Å; T682-Q685 VanDerWaalsContact O-N 3.15Å; T682-Q690 WeakPolarHBondContact O-CG 3.18Å; T682-Q690 PolarHBondContact O-NE2 3.35Å; T682-I693 HydrophobicContact CG2-CB 4.37Å; T682-I693 HydrophobicContact CG2-CD1 3.7Å; T682-I693 HydrophobicContact CG2-CG2 4.03Å
683L79.6Confident76.6Confident73 Ų7331.6 Ų31.638%0.38217%0.166SC..Hα-helixtrans-64.1-19.8176.9-71.4179.5000114.6Y679 Q680 L681 Q690Y679-L683 HydrophobicContact CD1-CD1 4Å; Y679-L683 HydrophobicContact CE1-CD1 3.43Å; Y679-L683 VanDerWaalsContact CE1-CD1 3.43Å; Y679-L683 HydrophobicContact CE1-CG 4.19Å; Y679-L683 HydrophobicContact CE2-CD1 4.48Å; Y679-L683 HydrophobicContact CE2-CG 4.43Å; Y679-L683 WeakPolarHBondContact O-CG 3.35Å; Y679-L683 PolarHBondContact O-N 3.24Å; Q680-L683 PolarHBondContact O-N 3.37Å; L681-L683 VanDerWaalsContact C-N 3.29Å; L681-L683 PolarHBondContact O-N 3.36Å; L683-Q690 PolarHBondContact O-NE2 2.91Å
684K79.1Confident76.9Confident101 Ų10136 Ų3644%0.43919%0.186SC..Hα-helixtrans-98.5-6.9176.7-63.1-70.2-176.4-179.40113.5L492 Q680 L681 T682L492-K684 HydrophobicContact CD2-CB 3.37Å; L492-K684 HydrophobicContact CD2-CG 4.25Å; Q680-K684 WeakPolarHBondContact O-CG 3.42Å; Q680-K684 PolarHBondContact O-N 3.48Å; L681-K684 PolarHBondContact O-N 2.86Å; T682-K684 PolarHBondContact O-N 3.47Å
685Q80.1Confident77Confident29 Ų2936.4 Ų36.414%0.13619%0.188CC..SBendtrans-71.7170.1173.1-68.8-58.3-34.500112.2L492 I555 L681 T682 C689 Q690L492-Q685 PolarHBondContact O-NE2 2.84Å; L492-Q685 VanDerWaalsContact O-NE2 3.11Å; I555-Q685 HydrophobicContact CG2-CG 3.9Å; L681-Q685 WeakPolarHBondContact O-CG 3.28Å; L681-Q685 PolarHBondContact O-N 3.42Å; L681-Q685 VanDerWaalsContact O-N 3.16Å; T682-Q685 WeakPolarHBondContact O-CB 3.43Å; T682-Q685 PolarHBondContact O-N 3.41Å; T682-Q685 VanDerWaalsContact O-N 3.15Å; Q685-C689 HydrophobicContact CB-CB 4.07Å; Q685-Q690 PolarHBondContact O-NE2 2.86Å; Q685-Q690 VanDerWaalsContact O-NE2 3.13Å
686S76.3Confident77.3Confident61 Ų6136.3 Ų36.343%0.42719%0.188SC..  trans-58.3151.8175.9690000112D688 C689 Q690S686-D688 PolarHBondContact O-N 3.1Å; S686-C689 WeakPolarHBondContact O-CB 3.41Å; S686-C689 PolarHBondContact O-N 3.19Å; S686-C689 WeakPolarHBondContact OG-CB 3.4Å; S686-C689 PolarHBondContact OG-N 2.83Å; S686-Q690 PolarHBondContact O-N 3.4Å
687T75.6Confident77.2Confident91 Ų9136.1 Ų36.156%0.55819%0.186SC*.Hα-helixtrans-56.6-35.1178.6510000112.5Q690 Q691T687-Q690 PolarHBondContact O-N 3.39Å; T687-Q691 WeakPolarHBondContact O-CB 3.4Å; T687-Q691 VanDerWaalsContact O-CG 3.3Å; T687-Q691 WeakPolarHBondContact O-CG 3.44Å; T687-Q691 PolarHBondContact O-N 3.44Å
688D72.5Confident76.9Confident62 Ų6239.3 Ų39.333%0.33220%0.201SC..Hα-helixtrans-65.2-43.6177.6-70.715.8000110.9S686 A692 K722S686-D688 PolarHBondContact O-N 3.1Å; D688-A692 VanDerWaalsContact O-CB 3.31Å; D688-A692 WeakPolarHBondContact O-CB 3.41Å; D688-A692 PolarHBondContact O-N 3.23Å; D688-K722 IonicContact OD2-NZ 3.01Å; D688-K722 PolarHBondContact OD2-NZ 3.39Å
689C76.2Confident76.2Confident5 Ų541.5 Ų41.53%0.03422%0.216CC..Hα-helixtrans-66.5-40.8177.7-175.30000111.6F559 Q685 S686 A692 I693F559-C689 HydrophobicContact CZ-CB 4.45Å; Q685-C689 HydrophobicContact CB-CB 4.07Å; S686-C689 WeakPolarHBondContact O-CB 3.41Å; S686-C689 PolarHBondContact O-N 3.19Å; S686-C689 WeakPolarHBondContact OG-CB 3.4Å; S686-C689 PolarHBondContact OG-N 2.83Å; C689-A692 WeakPolarHBondContact O-CB 3.16Å; C689-A692 PolarHBondContact O-N 2.89Å; C689-I693 WeakPolarHBondContact O-CG1 3.48Å; C689-I693 PolarHBondContact O-N 3.49Å
690Q77.4Confident75Confident47 Ų4742.9 Ų42.922%0.2223%0.233CC..Hα-helixtrans-62-48.3175.9-71.1174.7-1.700112.3T682 L683 Q685 S686 T687 A692 I693 H694T682-Q690 WeakPolarHBondContact O-CG 3.18Å; T682-Q690 PolarHBondContact O-NE2 3.35Å; L683-Q690 PolarHBondContact O-NE2 2.91Å; Q685-Q690 PolarHBondContact O-NE2 2.86Å; Q685-Q690 VanDerWaalsContact O-NE2 3.13Å; S686-Q690 PolarHBondContact O-N 3.4Å; T687-Q690 PolarHBondContact O-N 3.39Å; Q690-A692 PolarHBondContact O-N 3.16Å; Q690-I693 PolarHBondContact O-N 2.92Å; Q690-H694 PolarHBondContact O-CD2 2.88Å; Q690-H694 VanDerWaalsContact O-CD2 3.31Å; Q690-H694 PolarHBondContact O-N 2.93Å
691Q75.4Confident73.5Confident89 Ų8947 Ų4742%0.41626%0.256SS..Hα-helixtrans-60.5-39176.3-73176.49.800111T687 H694 S695T687-Q691 WeakPolarHBondContact O-CB 3.4Å; T687-Q691 VanDerWaalsContact O-CG 3.3Å; T687-Q691 WeakPolarHBondContact O-CG 3.44Å; T687-Q691 PolarHBondContact O-N 3.44Å; Q691-H694 PolarHBondContact O-N 3.37Å; Q691-S695 VanDerWaalsContact O-CB 3.29Å; Q691-S695 WeakPolarHBondContact O-CB 3.24Å; Q691-S695 PolarHBondContact O-N 3.48Å; Q691-S695 PolarHBondContact O-OG 3.34Å
692A76.1Confident71.8Confident8 Ų851 Ų517%0.06628%0.276CS..Hα-helixtrans-64.1-43.2176.600000113.5P558 D688 C689 Q690 S695 L696 S723P558-A692 HydrophobicContact CB-CB 3.8Å; P558-A692 HydrophobicContact CG-CB 3.74Å; D688-A692 VanDerWaalsContact O-CB 3.31Å; D688-A692 WeakPolarHBondContact O-CB 3.41Å; D688-A692 PolarHBondContact O-N 3.23Å; C689-A692 WeakPolarHBondContact O-CB 3.16Å; C689-A692 PolarHBondContact O-N 2.89Å; Q690-A692 PolarHBondContact O-N 3.16Å; A692-S695 PolarHBondContact O-N 2.8Å; A692-S695 PolarHBondContact O-OG 3.46Å; A692-L696 VanDerWaalsContact O-CG 3.29Å; A692-L696 WeakPolarHBondContact O-CG 2.95Å; A692-L696 PolarHBondContact O-N 2.92Å; A692-S723 WeakPolarHBondContact CA-OG 3.41Å; A692-S723 WeakPolarHBondContact CB-OG 3.48Å
693I78Confident69.9Low2 Ų254.7 Ų54.71%0.0130%0.302CS..Hα-helixtrans-66.1-44.9177-73.6165.6000110.7I555 P558 L633 L637 T682 C689 Q690 S695 L696 A697I555-I693 HydrophobicContact CG2-CD1 4.46Å; P558-I693 HydrophobicContact CG-CG1 3.93Å; L633-I693 HydrophobicContact CB-CG2 4.49Å; L633-I693 HydrophobicContact CD1-CG2 4.2Å; L633-I693 HydrophobicContact CD2-CG2 3.98Å; L633-I693 HydrophobicContact CG-CG2 4.45Å; L637-I693 HydrophobicContact CD1-CG2 4.46Å; T682-I693 HydrophobicContact CG2-CB 4.37Å; T682-I693 HydrophobicContact CG2-CD1 3.7Å; T682-I693 HydrophobicContact CG2-CG2 4.03Å; C689-I693 WeakPolarHBondContact O-CG1 3.48Å; C689-I693 PolarHBondContact O-N 3.49Å; Q690-I693 PolarHBondContact O-N 2.92Å; I693-S695 VanDerWaalsContact C-N 3.28Å; I693-S695 PolarHBondContact O-N 3.2Å; I693-L696 PolarHBondContact O-N 3.34Å; I693-A697 WeakPolarHBondContact O-CB 3.25Å; I693-A697 PolarHBondContact O-N 3.44Å
694H77.8Confident67.8Low94 Ų9456.2 Ų56.244%0.43532%0.315SS..Hα-helixtrans-60.4-38.7176.2-90.1-74.4000112.5Q690 Q691 A697 H698Q690-H694 PolarHBondContact O-CD2 2.88Å; Q690-H694 VanDerWaalsContact O-CD2 3.31Å; Q690-H694 PolarHBondContact O-N 2.93Å; Q691-H694 PolarHBondContact O-N 3.37Å; H694-A697 PolarHBondContact O-N 3.11Å; H694-H698 PolarHBondContact O-N 3.16Å; H694-H698 VanDerWaalsContact O-N 3.15Å
695S73.7Confident65.5Low16 Ų1654.3 Ų54.311%0.11231%0.314CS..Hα-helixtrans-71.5-38.4-17981.30000111.9Q691 A692 I693 H698 S723 H724Q691-S695 VanDerWaalsContact O-CB 3.29Å; Q691-S695 WeakPolarHBondContact O-CB 3.24Å; Q691-S695 PolarHBondContact O-N 3.48Å; Q691-S695 PolarHBondContact O-OG 3.34Å; A692-S695 PolarHBondContact O-N 2.8Å; A692-S695 PolarHBondContact O-OG 3.46Å; I693-S695 VanDerWaalsContact C-N 3.28Å; I693-S695 PolarHBondContact O-N 3.2Å; S695-H698 CarbonylContact O-C 3.58Å; S695-S723 PolarHBondContact OG-OG 3.43Å; S695-H724 WeakPolarHBondContact CB-CD2 3.45Å; S695-H724 WeakPolarHBondContact CB-NE2 3.42Å; S695-H724 PolarHBondContact O-CE1 3.02Å; S695-H724 VanDerWaalsContact O-CE1 3.32Å; S695-H724 PolarHBondContact O-NE2 3.09Å; S695-H724 PolarHBondContact OG-CD2 3.46Å
696L75.5Confident63.4Low0 Ų058.8 Ų58.80%034%0.338CS..Hα-helixtrans-67.8-33.6172.4-70.6168.6000112.5I557 L561 M626 C629 S630 L633 A692 I693 L727I557-L696 HydrophobicContact CG2-CD1 3.78Å; L561-L696 HydrophobicContact CD1-CD1 4.12Å; L561-L696 HydrophobicContact CD1-CD2 4.18Å; M626-L696 HydrophobicContact CE-CD2 4.38Å; M626-L696 HydrophobicContact SD-CD2 3.64Å; C629-L696 HydrophobicContact CB-CB 4.29Å; S630-L696 WeakPolarHBondContact CA-O 3.32Å; L633-L696 HydrophobicContact CD1-CB 3.76Å; L633-L696 HydrophobicContact CD1-CD1 4.44Å; A692-L696 VanDerWaalsContact O-CG 3.29Å; A692-L696 WeakPolarHBondContact O-CG 2.95Å; A692-L696 PolarHBondContact O-N 2.92Å; I693-L696 PolarHBondContact O-N 3.34Å; L696-L727 HydrophobicContact CD2-CD1 4.25Å
697A73.8Confident61.4Low0 Ų062.7 Ų62.70%035%0.354CS..Hα-helixtrans-68-40.4177.800000112.5S630 L633 L637 I693 H694 P699S630-A697 PolarHBondContact OG-O 2.91Å; L633-A697 HydrophobicContact CB-CB 3.78Å; L637-A697 HydrophobicContact CD1-CB 3.55Å; I693-A697 WeakPolarHBondContact O-CB 3.25Å; I693-A697 PolarHBondContact O-N 3.44Å; H694-A697 PolarHBondContact O-N 3.11Å; A697-P699 VanDerWaalsContact C-CD 3.5Å; A697-P699 WeakPolarHBondContact O-CD 3.2Å
698H73Confident59.3Low68 Ų6863 Ų6332%0.31536%0.36SS..  trans-124.373.9-177.2-61.7-58000112H694 S695 S700H694-H698 PolarHBondContact O-N 3.16Å; H694-H698 VanDerWaalsContact O-N 3.15Å; S695-H698 CarbonylContact O-C 3.58Å; H698-S700 PolarHBondContact O-N 2.88Å
699P62.7Low57.4Low54 Ų5462.4 Ų62.435%0.35136%0.361SS..G310 helixtrans-62.1-27.1179.921.7-30.5000113.5M626 A697M626-P699 HydrophobicContact CE-CB 3.58Å; M626-P699 HydrophobicContact CE-CG 4.09Å; A697-P699 VanDerWaalsContact C-CD 3.5Å; A697-P699 WeakPolarHBondContact O-CD 3.2Å
700S55.6Low55.8Low77 Ų7767.5 Ų67.554%0.53839%0.391SS..G310 helixtrans-79.8-18.3-173.857.20000115.5H698 S703H698-S700 PolarHBondContact O-N 2.88Å; S700-S703 PolarHBondContact O-OG 3.25Å; S700-S703 VanDerWaalsContact O-OG 3.14Å
701N47.5Very low53.8Low103 Ų10372.8 Ų72.855%0.55142%0.421SS*.G310 helixtrans-86.4-7.8-169.8-76-9.1000114.5
702L42.7Very low52.1Low86 Ų8675.2 Ų75.245%0.4544%0.436SS..SBendtrans-90.4-26176.5-94.383.1000113.8T704 S705 I706L702-T704 PolarHBondContact O-N 3.1Å; L702-S705 PolarHBondContact O-N 2.99Å; L702-I706 WeakPolarHBondContact O-CG1 3.1Å
703S38.4Very low50.2Low83 Ų8380.6 Ų80.658%0.5846%0.463SS*.THydrogen-bonded Turntrans-68.5-19.3-178.444.80000113.7S700S700-S703 PolarHBondContact O-OG 3.25Å; S700-S703 VanDerWaalsContact O-OG 3.14Å
704T35.6Very low48.3Very low104 Ų10486.7 Ų86.764%0.63850%0.496SS*.THydrogen-bonded Turntrans-95.7-22.2176.649.10000113.7L702L702-T704 PolarHBondContact O-N 3.1Å
705S32.6Very low46.4Very low62 Ų6291.9 Ų91.943%0.43452%0.517SS..THydrogen-bonded Turntrans-82.7-17.3179.91750000114.1L702 N707L702-S705 PolarHBondContact O-N 2.99Å; S705-N707 PolarHBondContact O-N 2.97Å
706I35.5Very low44.5Very low122 Ų12294 Ų9463%0.62653%0.532SS*.THydrogen-bonded Turntrans-73.1-18.9-179-67.6166.1000111.8L702L702-I706 WeakPolarHBondContact O-CG1 3.1Å
707N33.3Very low42.7Very low144 Ų144102.7 Ų102.777%0.7757%0.57SS**THydrogen-bonded Turntrans-100.2-3-177.5-69.5-18.9000114.8S705S705-N707 PolarHBondContact O-N 2.97Å
708S33Very low41.2Very low97 Ų97107.5 Ų107.568%0.67860%0.603SS**SBendtrans-121.95.4-173.362.70000116.3
709S31.7Very low39.7Very low50 Ų50108.6 Ų108.635%0.3561%0.611SS.*  trans-152.375.3176.3520000112.5D711S709-D711 PolarHBondContact O-N 2.78Å
710V41.6Very low38.4Very low112 Ų112111.5 Ų111.568%0.67962%0.622SS**THydrogen-bonded Turntrans-65.4-13.8174.1173.50000112.6
711D36.7Very low37.9Very low158 Ų158113.4 Ų113.485%0.84563%0.625SS**THydrogen-bonded Turntrans-93-8.1-170.7-75.4-26.8000116.6S709S709-D711 PolarHBondContact O-N 2.78Å
712L38.3Very low37.9Very low139 Ų139114.1 Ų114.173%0.72862%0.623SS**SBendtrans-96.8-5.5177.1-97.3134.7000114.3N714L712-N714 VanDerWaalsContact C-N 3.29Å; L712-N714 PolarHBondContact O-N 3.26Å
713L36.7Very low38Very low122 Ų122110.4 Ų110.464%0.63960%0.604SS**THydrogen-bonded Turntrans-74.9-5.1-173.8-99116000115.9
714N39.4Very low38.3Very low129 Ų129108.2 Ų108.269%0.6959%0.585SS**THydrogen-bonded Turntrans-103.4-0.6-171-82.9-28.1000116.4L712L712-N714 VanDerWaalsContact C-N 3.29Å; L712-N714 PolarHBondContact O-N 3.26Å
715K37.8Very low38.9Very low204 Ų204105.2 Ų105.289%0.88757%0.568SS**SBendtrans-122.7-5.1178.8-86.6178.8175.6176.30116.5
716S34.1Very low40.1Very low61 Ų61103 Ų10343%0.42755%0.551SS.*  trans-128.543.5-173.5-510000112.8S718S716-S718 PolarHBondContact O-N 3.14Å
717K36.7Very low41.7Very low182 Ų18297.8 Ų97.879%0.79152%0.524SS*.THydrogen-bonded Turntrans-69.46.4-172.7-91.6-178.1177.6175.10116.3
718S42.2Very low43.4Very low100 Ų10096 Ų9670%0.69952%0.515SS*.THydrogen-bonded Turntrans-133.10-174.868.10000117.4S716S716-S718 PolarHBondContact O-N 3.14Å
719I40.7Very low45.5Very low92 Ų9291.9 Ų91.947%0.47249%0.488SS..THydrogen-bonded Turntrans-124.8-25.7-163-55.6-179.3000115.2
720I37.1Very low47.8Very low114 Ų11489.7 Ų89.759%0.58547%0.472SS*.SBendtrans-95.80.6-157.7-62.5173.1000115.4
721I44.7Very low49.7Very low118 Ų11888.2 Ų88.261%0.60546%0.458SS*.  trans-143.289.4-176.3-42.4172.5000109.4S725I721-S725 PolarHBondContact O-OG 3.38Å
722K46.6Very low52Low118 Ų11889.1 Ų89.151%0.51345%0.449SS..SBendtrans-114.4-54.5167.3-77.6-178.3-175.8166.50111.7D688 H724 S725 N726D688-K722 IonicContact OD2-NZ 3.01Å; D688-K722 PolarHBondContact OD2-NZ 3.39Å; K722-H724 PolarHBondContact O-N 2.76Å; K722-S725 VanDerWaalsContact C-OG 3.23Å; K722-S725 WeakPolarHBondContact CA-OG 3.39Å; K722-S725 CarbonylContact O-C 3.51Å; K722-S725 PolarHBondContact O-N 2.71Å; K722-S725 VanDerWaalsContact O-N 3.13Å; K722-S725 PolarHBondContact O-OG 2.99Å; K722-N726 PolarHBondContact O-N 3.04Å; K722-N726 PolarHBondContact O-ND2 3.4Å; K722-N726 PolarHBondContact O-OD1 3.1Å
723S45.7Very low54.2Low8 Ų883.5 Ų83.56%0.05642%0.421CS..Hα-helixtrans-66.8-46.2-175.2580000115.2A692 S695 S725 N726A692-S723 WeakPolarHBondContact CA-OG 3.41Å; A692-S723 WeakPolarHBondContact CB-OG 3.48Å; S695-S723 PolarHBondContact OG-OG 3.43Å; S723-S725 VanDerWaalsContact C-N 3.26Å; S723-S725 PolarHBondContact O-N 2.82Å; S723-N726 WeakPolarHBondContact O-CB 3.49Å; S723-N726 PolarHBondContact O-N 3.48Å; S723-N726 VanDerWaalsContact O-N 3.11Å
724H43.4Very low56.6Low37 Ų3777.7 Ų77.717%0.17139%0.391CS..Hα-helixtrans-68.9-26.3172.9-84.5-49.3000112.2S695 K722 N726 N728S695-H724 WeakPolarHBondContact CB-CD2 3.45Å; S695-H724 WeakPolarHBondContact CB-NE2 3.42Å; S695-H724 PolarHBondContact O-CE1 3.02Å; S695-H724 VanDerWaalsContact O-CE1 3.32Å; S695-H724 PolarHBondContact O-NE2 3.09Å; S695-H724 PolarHBondContact OG-CD2 3.46Å; K722-H724 PolarHBondContact O-N 2.76Å; H724-N726 PolarHBondContact O-N 3Å; H724-N728 WeakPolarHBondContact O-CB 3.37Å; H724-N728 PolarHBondContact O-N 3.41Å; H724-N728 PolarHBondContact O-ND2 3.44Å
725S48.8Very low58.8Low41 Ų4172.1 Ų72.129%0.28736%0.363SS..Hα-helixtrans-71.8-21.8171.855.20000112.5I721 K722 S723 G729I721-S725 PolarHBondContact O-OG 3.38Å; K722-S725 VanDerWaalsContact C-OG 3.23Å; K722-S725 WeakPolarHBondContact CA-OG 3.39Å; K722-S725 CarbonylContact O-C 3.51Å; K722-S725 PolarHBondContact O-N 2.71Å; K722-S725 VanDerWaalsContact O-N 3.13Å; K722-S725 PolarHBondContact O-OG 2.99Å; S723-S725 VanDerWaalsContact C-N 3.26Å; S723-S725 PolarHBondContact O-N 2.82Å; S725-G729 PolarHBondContact O-N 3.3Å
726N57.1Low61.2Low14 Ų1467.2 Ų67.28%0.07534%0.344CS..Hα-helixtrans-75.7-43.7-175.1-65.3-11.5000112.6D562 Q565 K722 S723 H724 G729 M730D562-N726 PolarHBondContact OD1-ND2 2.83Å; Q565-N726 PolarHBondContact OE1-OD1 2.99Å; K722-N726 PolarHBondContact O-N 3.04Å; K722-N726 PolarHBondContact O-ND2 3.4Å; K722-N726 PolarHBondContact O-OD1 3.1Å; S723-N726 WeakPolarHBondContact O-CB 3.49Å; S723-N726 PolarHBondContact O-N 3.48Å; S723-N726 VanDerWaalsContact O-N 3.11Å; H724-N726 PolarHBondContact O-N 3Å; N726-G729 WeakPolarHBondContact O-CA 3.39Å; N726-G729 PolarHBondContact O-N 3.17Å; N726-G729 VanDerWaalsContact O-N 3.07Å; N726-M730 PolarHBondContact O-N 3.44Å; N726-M730 VanDerWaalsContact O-N 3.1Å
727L69.1Low63.8Low13 Ų1364.3 Ų64.37%0.06832%0.324CS..Hα-helixtrans-68.5-38.1173.6-64.4170.3000111.2L561 V622 M626 L696 G729 M730 H731L561-L727 HydrophobicContact CD1-CD1 4.38Å; L561-L727 HydrophobicContact CD1-CD2 4.44Å; L561-L727 HydrophobicContact CD1-CG 4.38Å; L561-L727 HydrophobicContact CD2-CD2 3.92Å; V622-L727 HydrophobicContact CG1-CB 4.04Å; V622-L727 HydrophobicContact CG1-CD1 4.34Å; V622-L727 HydrophobicContact CG1-CD2 4.24Å; V622-L727 HydrophobicContact CG1-CG 4.44Å; V622-L727 HydrophobicContact CG2-CD2 4.02Å; M626-L727 HydrophobicContact CG-CD1 3.88Å; M626-L727 HydrophobicContact SD-CD1 3.31Å; M626-L727 WeakPolarHBondContact SD-CD1 3.33Å; L696-L727 HydrophobicContact CD2-CD1 4.25Å; L727-G729 PolarHBondContact O-N 3.04Å; L727-M730 WeakPolarHBondContact O-CB 3.41Å; L727-M730 PolarHBondContact O-N 3.25Å; L727-H731 PolarHBondContact O-N 2.95Å
728N70.8Confident66.3Low106 Ų10655.7 Ų55.757%0.56729%0.286SS*.Hα-helixtrans-62.8-29169.4-76.2-42000112.5H724 R732H724-N728 WeakPolarHBondContact O-CB 3.37Å; H724-N728 PolarHBondContact O-N 3.41Å; H724-N728 PolarHBondContact O-ND2 3.44Å; N728-R732 VanDerWaalsContact O-CB 3.23Å; N728-R732 WeakPolarHBondContact O-CB 3.41Å; N728-R732 PolarHBondContact O-N 3.15Å
729G75.8Confident68.6Low11 Ų1156.8 Ų56.811%0.11328%0.275CS..Hα-helixtrans-62.9-46.6172.700000111.5S725 N726 L727 R732 S733S725-G729 PolarHBondContact O-N 3.3Å; N726-G729 WeakPolarHBondContact O-CA 3.39Å; N726-G729 PolarHBondContact O-N 3.17Å; N726-G729 VanDerWaalsContact O-N 3.07Å; L727-G729 PolarHBondContact O-N 3.04Å; G729-R732 PolarHBondContact O-N 3.19Å; G729-S733 WeakPolarHBondContact O-CB 3.45Å; G729-S733 PolarHBondContact O-N 3.47Å; G729-S733 PolarHBondContact O-OG 2.86Å
730M80.9Confident70.9Confident4 Ų454.3 Ų54.32%0.0227%0.265CS..Hα-helixtrans-56.8-51.4175.2-171.8160.5171.500111.5F541 W568 S618 F621 V622 N726 L727 R732 S733 S734F541-M730 HydrophobicContact CD2-CE 4.3Å; F541-M730 HydrophobicContact CE2-CE 4.02Å; W568-M730 HydrophobicContact CD2-CE 4.15Å; W568-M730 HydrophobicContact CD2-CG 4.24Å; W568-M730 HydrophobicContact CE3-CE 4.28Å; W568-M730 HydrophobicContact CG-CG 4.05Å; W568-M730 HydrophobicContact CH2-CE 4.29Å; W568-M730 HydrophobicContact CZ2-CE 4.24Å; W568-M730 HydrophobicContact CZ3-CE 4.33Å; W568-M730 PolarHBondContact NE1-O 3.03Å; S618-M730 VanDerWaalsContact CB-CE 3.44Å; F621-M730 HydrophobicContact CD1-CE 3.77Å; F621-M730 HydrophobicContact CD1-SD 4.16Å; F621-M730 HydrophobicContact CE1-CE 4.47Å; F621-M730 HydrophobicContact CE1-SD 4.47Å; V622-M730 HydrophobicContact CG2-CG 4.45Å; V622-M730 HydrophobicContact CG2-SD 4.04Å; N726-M730 PolarHBondContact O-N 3.44Å; N726-M730 VanDerWaalsContact O-N 3.1Å; L727-M730 WeakPolarHBondContact O-CB 3.41Å; L727-M730 PolarHBondContact O-N 3.25Å; M730-R732 PolarHBondContact O-N 3.18Å; M730-S733 PolarHBondContact O-N 2.87Å; M730-S734 WeakPolarHBondContact O-CB 3.48Å; M730-S734 PolarHBondContact O-N 3.1Å; M730-S734 PolarHBondContact O-OG 3.36Å
731H81.5Confident73.4Confident81 Ų8148.9 Ų48.938%0.37524%0.238SC..Hα-helixtrans-62.2-40.7176.2178.9-88.1000112.6D619 L727 S734 S735D619-H731 IonicContact OD1-CD2 2.73Å; L727-H731 PolarHBondContact O-N 2.95Å; H731-S734 PolarHBondContact O-N 2.85Å; H731-S735 WeakPolarHBondContact O-CB 3.37Å; H731-S735 PolarHBondContact O-N 3.09Å
732R84.3Confident75.6Confident178 Ų17843.3 Ų43.367%0.67221%0.209SC*.Hα-helixtrans-62.9-46.4177.5-179.5179179.5162.51.2111.6N728 G729 M730 S735 M736N728-R732 VanDerWaalsContact O-CB 3.23Å; N728-R732 WeakPolarHBondContact O-CB 3.41Å; N728-R732 PolarHBondContact O-N 3.15Å; G729-R732 PolarHBondContact O-N 3.19Å; M730-R732 PolarHBondContact O-N 3.18Å; R732-S735 PolarHBondContact O-N 3.25Å; R732-M736 WeakPolarHBondContact O-CG 3.46Å; R732-M736 PolarHBondContact O-N 3Å
733S85.6Confident77.5Confident20 Ų2039.3 Ų39.314%0.1420%0.202CC..Hα-helixtrans-65.8-41.8178.1-62.30000110.3D569 G729 M730 M736 L737D569-S733 WeakPolarHBondContact OD1-CB 3.5Å; D569-S733 PolarHBondContact OD1-OG 3.38Å; G729-S733 WeakPolarHBondContact O-CB 3.45Å; G729-S733 PolarHBondContact O-N 3.47Å; G729-S733 PolarHBondContact O-OG 2.86Å; M730-S733 PolarHBondContact O-N 2.87Å; S733-M736 WeakPolarHBondContact O-CB 3.3Å; S733-M736 PolarHBondContact O-N 3.4Å; S733-L737 PolarHBondContact O-N 3.5Å
734S86.2Confident79.5Confident0 Ų039.3 Ų39.30%020%0.201CC..Hα-helixtrans-57-47.9172.5-70.80000112W568 T615 S618 M730 H731 M736 L737 C738W568-S734 WeakPolarHBondContact CZ2-OG 3.31Å; W568-S734 PolarHBondContact NE1-OG 3.25Å; T615-S734 VanDerWaalsContact CG2-CB 3.45Å; S618-S734 PolarHBondContact OG-OG 3.38Å; S618-S734 VanDerWaalsContact OG-OG 3.08Å; M730-S734 WeakPolarHBondContact O-CB 3.48Å; M730-S734 PolarHBondContact O-N 3.1Å; M730-S734 PolarHBondContact O-OG 3.36Å; H731-S734 PolarHBondContact O-N 2.85Å; S734-M736 PolarHBondContact O-N 2.94Å; S734-L737 WeakPolarHBondContact O-CB 2.88Å; S734-L737 PolarHBondContact O-N 2.83Å; S734-L737 VanDerWaalsContact O-N 3.15Å; S734-C738 PolarHBondContact O-N 3.14Å; S734-C738 PolarHBondContact O-SG 3.46Å
735S86.1Confident81.7Confident13 Ų1337.6 Ų37.69%0.09119%0.193CC..Hα-helixtrans-62.3-40.6175.2176.10000112.4H731 R732 L737 C738 R739H731-S735 WeakPolarHBondContact O-CB 3.37Å; H731-S735 PolarHBondContact O-N 3.09Å; R732-S735 PolarHBondContact O-N 3.25Å; S735-L737 VanDerWaalsContact C-N 3.3Å; S735-L737 PolarHBondContact O-N 3.37Å; S735-C738 PolarHBondContact O-N 2.94Å; S735-R739 WeakPolarHBondContact O-CB 3.34Å; S735-R739 VanDerWaalsContact O-CG 3.31Å; S735-R739 WeakPolarHBondContact O-CG 2.72Å; S735-R739 PolarHBondContact O-N 3.01Å
736M87.9Confident83.5Confident101 Ų10138.4 Ų38.450%0.49819%0.19SC..Hα-helixtrans-62.3-38.8174.2-74-172.670.300112R732 S733 S734 R739 S740R732-M736 WeakPolarHBondContact O-CG 3.46Å; R732-M736 PolarHBondContact O-N 3Å; S733-M736 WeakPolarHBondContact O-CB 3.3Å; S733-M736 PolarHBondContact O-N 3.4Å; S734-M736 PolarHBondContact O-N 2.94Å; M736-R739 PolarHBondContact O-N 3.48Å; M736-S740 WeakPolarHBondContact O-CB 3.31Å; M736-S740 PolarHBondContact O-N 2.91Å
737L89.5Confident84.9Confident0 Ų040.8 Ų40.80%020%0.2CC..Hα-helixtrans-64.3-46.3175.5177.960.5000111.7I572 W575 I576 T611 L614 S733 S734 S735 S740 T741I572-L737 HydrophobicContact CG1-CD2 4.25Å; I572-L737 HydrophobicContact CG2-CB 4.1Å; W575-L737 HydrophobicContact CB-CD1 3.93Å; W575-L737 HydrophobicContact CB-CD2 4.29Å; W575-L737 VanDerWaalsContact CD1-CD1 3.46Å; W575-L737 HydrophobicContact CD2-CD2 4.38Å; W575-L737 HydrophobicContact CG-CD1 3.87Å; W575-L737 HydrophobicContact CG-CD2 3.95Å; I576-L737 HydrophobicContact CG1-CD1 3.99Å; T611-L737 HydrophobicContact CG2-CD1 4.48Å; T611-L737 HydrophobicContact CG2-CD2 3.84Å; T611-L737 HydrophobicContact CG2-CG 3.66Å; L614-L737 HydrophobicContact CD2-CD2 4.07Å; S733-L737 PolarHBondContact O-N 3.5Å; S734-L737 WeakPolarHBondContact O-CB 2.88Å; S734-L737 PolarHBondContact O-N 2.83Å; S734-L737 VanDerWaalsContact O-N 3.15Å; S735-L737 VanDerWaalsContact C-N 3.3Å; S735-L737 PolarHBondContact O-N 3.37Å; L737-S740 PolarHBondContact O-N 3.48Å; L737-T741 WeakPolarHBondContact O-CB 3.33Å; L737-T741 PolarHBondContact O-N 3.4Å; L737-T741 PolarHBondContact O-OG1 2.89Å
738C89Confident85.7Confident0 Ų040.2 Ų40.20%020%0.198CC..Hα-helixtrans-60.2-46175.3-690000111.4T615 S734 S735 S740 T741 I742 L840T615-C738 VanDerWaalsContact CG2-SG 3.6Å; S734-C738 PolarHBondContact O-N 3.14Å; S734-C738 PolarHBondContact O-SG 3.46Å; S735-C738 PolarHBondContact O-N 2.94Å; C738-S740 PolarHBondContact O-N 3.31Å; C738-T741 PolarHBondContact O-N 2.98Å; C738-T741 VanDerWaalsContact O-N 3.14Å; C738-I742 WeakPolarHBondContact O-CG1 3.17Å; C738-I742 PolarHBondContact O-N 3.41Å; C738-L840 HydrophobicContact CB-CB 3.77Å
739R89.4Confident86.5Confident124 Ų12435.2 Ų35.247%0.46817%0.171SC..Hα-helixtrans-56.4-46.6174.8-74.7177.4177.6161.40.1112.5S735 M736 T741 G743 G841S735-R739 WeakPolarHBondContact O-CB 3.34Å; S735-R739 VanDerWaalsContact O-CG 3.31Å; S735-R739 WeakPolarHBondContact O-CG 2.72Å; S735-R739 PolarHBondContact O-N 3.01Å; M736-R739 PolarHBondContact O-N 3.48Å; R739-T741 VanDerWaalsContact C-N 3.33Å; R739-T741 PolarHBondContact O-N 2.85Å; R739-G743 PolarHBondContact O-N 2.58Å; R739-G841 WeakPolarHBondContact CG-O 3.18Å
740S90Very high87.1Confident39 Ų3934.9 Ų34.927%0.27317%0.167SC..Hα-helixtrans-62.7-42.3177.1-1740000111.5M736 L737 C738 G743 V744M736-S740 WeakPolarHBondContact O-CB 3.31Å; M736-S740 PolarHBondContact O-N 2.91Å; L737-S740 PolarHBondContact O-N 3.48Å; C738-S740 PolarHBondContact O-N 3.31Å; S740-G743 PolarHBondContact O-N 3.08Å; S740-V744 WeakPolarHBondContact O-CG2 3.4Å; S740-V744 PolarHBondContact O-N 3.14Å; S740-V744 VanDerWaalsContact O-N 3.14Å
741T89.9Confident87.3Confident0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-68.5-45.5-178-52.70000111.1N579 F607 A608 T611 L737 C738 R739 G743 V744 V745N579-T741 PolarHBondContact ND2-OG1 3.45Å; N579-T741 PolarHBondContact OD1-OG1 3.15Å; F607-T741 HydrophobicContact CD1-CG2 3.92Å; F607-T741 HydrophobicContact CE1-CG2 4.17Å; A608-T741 HydrophobicContact CB-CG2 3.96Å; T611-T741 HydrophobicContact CG2-CG2 4.43Å; T611-T741 PolarHBondContact OG1-OG1 3.18Å; L737-T741 WeakPolarHBondContact O-CB 3.33Å; L737-T741 PolarHBondContact O-N 3.4Å; L737-T741 PolarHBondContact O-OG1 2.89Å; C738-T741 PolarHBondContact O-N 2.98Å; C738-T741 VanDerWaalsContact O-N 3.14Å; R739-T741 VanDerWaalsContact C-N 3.33Å; R739-T741 PolarHBondContact O-N 2.85Å; T741-G743 VanDerWaalsContact C-N 3.3Å; T741-G743 PolarHBondContact O-N 2.96Å; T741-V744 WeakPolarHBondContact O-CB 3.36Å; T741-V744 PolarHBondContact O-N 3.35Å; T741-V744 VanDerWaalsContact O-N 3.13Å; T741-V745 VanDerWaalsContact O-CG2 3.31Å; T741-V745 WeakPolarHBondContact O-CG2 3.45Å; T741-V745 PolarHBondContact O-N 2.94Å
742I89.1Confident87.5Confident2 Ų234.3 Ų34.31%0.0116%0.163CC..Hα-helixtrans-62.2-38.8173.9-63.5-176.8000111.3C738 V744 V745 R746 C837 F838 G841 D842C738-I742 WeakPolarHBondContact O-CG1 3.17Å; C738-I742 PolarHBondContact O-N 3.41Å; I742-V744 PolarHBondContact O-N 3.44Å; I742-V745 PolarHBondContact O-N 3.22Å; I742-R746 WeakPolarHBondContact O-CB 3.46Å; I742-R746 PolarHBondContact O-N 2.94Å; I742-C837 WeakPolarHBondContact CD1-O 3.03Å; I742-F838 HydrophobicContact CD1-CD1 3.88Å; I742-F838 HydrophobicContact CG1-CD1 4.26Å; I742-G841 VanDerWaalsContact CD1-C 3.5Å; I742-D842 HydrophobicContact CD1-CB 4.29Å; I742-D842 WeakPolarHBondContact CG2-OD2 3.41Å
743G87.8Confident87.5Confident34 Ų3425.9 Ų25.935%0.35113%0.131SC..Hα-helixtrans-54.1-44.4173.900000111.9R739 S740 T741 E747R739-G743 PolarHBondContact O-N 2.58Å; S740-G743 PolarHBondContact O-N 3.08Å; T741-G743 VanDerWaalsContact C-N 3.3Å; T741-G743 PolarHBondContact O-N 2.96Å; G743-E747 PolarHBondContact O-N 3.39Å
744V87.7Confident87.7Confident8 Ų829.3 Ų29.35%0.04814%0.141CC..Hα-helixtrans-67.8-44.1175174.80000111.9N579 E583 I604 S740 T741 I742 R746 E747 I748N579-V744 HydrophobicContact CB-CG2 4.39Å; E583-V744 HydrophobicContact CB-CG1 3.69Å; E583-V744 HydrophobicContact CB-CG2 4.46Å; E583-V744 HydrophobicContact CG-CG1 3.94Å; I604-V744 HydrophobicContact CD1-CB 4.5Å; I604-V744 HydrophobicContact CD1-CG1 3.63Å; I604-V744 HydrophobicContact CG1-CG1 4.19Å; S740-V744 WeakPolarHBondContact O-CG2 3.4Å; S740-V744 PolarHBondContact O-N 3.14Å; S740-V744 VanDerWaalsContact O-N 3.14Å; T741-V744 WeakPolarHBondContact O-CB 3.36Å; T741-V744 PolarHBondContact O-N 3.35Å; T741-V744 VanDerWaalsContact O-N 3.13Å; I742-V744 PolarHBondContact O-N 3.44Å; V744-R746 VanDerWaalsContact C-N 3.29Å; V744-R746 PolarHBondContact O-N 2.84Å; V744-E747 PolarHBondContact O-N 3.22Å; V744-I748 HydrophobicContact CG1-CD1 3.78Å; V744-I748 HydrophobicContact CG1-CG1 4.38Å; V744-I748 WeakPolarHBondContact O-CG1 3.27Å; V744-I748 PolarHBondContact O-N 3.02Å
745V88.7Confident87.7Confident0 Ų034.5 Ų34.50%016%0.161CC..Hα-helixtrans-55.6-46.2175.51740000110.6F601 I604 L605 A608 T741 I742 I748 A749 W921F601-V745 HydrophobicContact CE2-CG1 3.83Å; I604-V745 HydrophobicContact CB-CG2 4.45Å; I604-V745 HydrophobicContact CG1-CB 4.33Å; I604-V745 HydrophobicContact CG1-CG2 3.54Å; I604-V745 HydrophobicContact CG2-CB 4.47Å; I604-V745 HydrophobicContact CG2-CG1 4.4Å; I604-V745 HydrophobicContact CG2-CG2 4.18Å; L605-V745 HydrophobicContact CD2-CG1 4.4Å; A608-V745 HydrophobicContact CB-CG2 3.88Å; T741-V745 VanDerWaalsContact O-CG2 3.31Å; T741-V745 WeakPolarHBondContact O-CG2 3.45Å; T741-V745 PolarHBondContact O-N 2.94Å; I742-V745 PolarHBondContact O-N 3.22Å; V745-I748 PolarHBondContact O-N 3.5Å; V745-A749 WeakPolarHBondContact O-CB 3.44Å; V745-A749 PolarHBondContact O-N 3.49Å; V745-W921 HydrophobicContact CG1-CH2 3.85Å; V745-W921 HydrophobicContact CG1-CZ2 3.86Å
746R88.2Confident87.6Confident59 Ų5935.1 Ų35.122%0.22316%0.162CC..Hα-helixtrans-63.2-46.4178.2-170.7-172.3-61.7164.73.1111.3I742 V744 I748 A749 L750 D842 W921 L925I742-R746 WeakPolarHBondContact O-CB 3.46Å; I742-R746 PolarHBondContact O-N 2.94Å; V744-R746 VanDerWaalsContact C-N 3.29Å; V744-R746 PolarHBondContact O-N 2.84Å; R746-I748 PolarHBondContact O-N 3.19Å; R746-A749 PolarHBondContact O-N 2.97Å; R746-L750 HydrophobicContact CG-CD1 3.96Å; R746-L750 HydrophobicContact CG-CG 4.44Å; R746-L750 VanDerWaalsContact O-CG 3.28Å; R746-L750 WeakPolarHBondContact O-CG 3.42Å; R746-L750 PolarHBondContact O-N 2.91Å; R746-D842 IonicContact CZ-OD2 3.07Å; R746-D842 IonicContact NH2-OD1 2.81Å; R746-D842 PolarHBondContact NH2-OD1 3.24Å; R746-D842 IonicContact NH2-OD2 2.65Å; R746-D842 PolarHBondContact NH2-OD2 3.04Å; R746-W921 HydrophobicContact CB-CZ2 4.48Å; R746-L925 HydrophobicContact CG-CD1 3.87Å
747E86.5Confident87.5Confident63 Ų6330.8 Ų30.829%0.29414%0.141SC..Hα-helixtrans-63.9-40.4179-79.1-63.8126.300112.4M587 G743 V744 L750 K751 R754M587-E747 HydrophobicContact CE-CB 4.42Å; M587-E747 WeakPolarHBondContact CE-O 3.48Å; G743-E747 PolarHBondContact O-N 3.39Å; V744-E747 PolarHBondContact O-N 3.22Å; E747-L750 PolarHBondContact O-N 2.88Å; E747-K751 PolarHBondContact O-N 2.98Å; E747-K751 VanDerWaalsContact O-N 3.12Å; E747-R754 IonicContact OE1-CZ 2.83Å; E747-R754 IonicContact OE1-NH1 3.94Å; E747-R754 IonicContact OE1-NH2 3.33Å; E747-R754 PolarHBondContact OE1-NH2 3.33Å; E747-R754 IonicContact OE2-CZ 3.31Å; E747-R754 IonicContact OE2-NH1 2.82Å; E747-R754 PolarHBondContact OE2-NH1 3.2Å; E747-R754 IonicContact OE2-NH2 3.96Å; E747-R754 PolarHBondContact OE2-NH2 3.47Å
748I85.9Confident87.3Confident2 Ų239 Ų391%0.0118%0.176CC..Hα-helixtrans-63.2-44.2173.9-68.7170.4000110.8L586 M587 I604 V744 V745 R746 L750 K751 P752L586-I748 HydrophobicContact CB-CD1 4.29Å; L586-I748 HydrophobicContact CD1-CD1 3.9Å; M587-I748 HydrophobicContact CE-CB 4.23Å; M587-I748 HydrophobicContact CE-CG1 3.67Å; I604-I748 HydrophobicContact CB-CD1 3.67Å; I604-I748 HydrophobicContact CD1-CD1 3.88Å; I604-I748 HydrophobicContact CG1-CD1 3.73Å; I604-I748 HydrophobicContact CG2-CB 4.33Å; I604-I748 HydrophobicContact CG2-CD1 3.99Å; I604-I748 HydrophobicContact CG2-CG2 4.15Å; V744-I748 HydrophobicContact CG1-CD1 3.78Å; V744-I748 HydrophobicContact CG1-CG1 4.38Å; V744-I748 WeakPolarHBondContact O-CG1 3.27Å; V744-I748 PolarHBondContact O-N 3.02Å; V745-I748 PolarHBondContact O-N 3.5Å; R746-I748 PolarHBondContact O-N 3.19Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 2.99Å; I748-K751 PolarHBondContact O-N 3.13Å; I748-P752 WeakPolarHBondContact O-CD 3.21Å
749A86.9Confident86.9Confident0 Ų042.7 Ų42.70%020%0.203CC..Hα-helixtrans-65.1-33.8178.900000113.3F601 V745 R746 Y794 L925F601-A749 HydrophobicContact CD2-CB 3.87Å; F601-A749 HydrophobicContact CE2-CB 3.78Å; V745-A749 WeakPolarHBondContact O-CB 3.44Å; V745-A749 PolarHBondContact O-N 3.49Å; R746-A749 PolarHBondContact O-N 2.97Å; A749-Y794 WeakPolarHBondContact CA-OH 3.46Å; A749-Y794 WeakPolarHBondContact O-CE1 3.48Å; A749-Y794 PolarHBondContact O-OH 3.34Å; A749-L925 HydrophobicContact CB-CD1 4.38Å; A749-L925 HydrophobicContact CB-CD2 4Å
750L87.3Confident86.6Confident5 Ų536.9 Ų36.93%0.02618%0.181CC..Hα-helixtrans-83.8-17.7-179.7-65.1176.1000113.5R746 E747 I748 I753 R754 L925 N929 V930 L933R746-L750 HydrophobicContact CG-CD1 3.96Å; R746-L750 HydrophobicContact CG-CG 4.44Å; R746-L750 VanDerWaalsContact O-CG 3.28Å; R746-L750 WeakPolarHBondContact O-CG 3.42Å; R746-L750 PolarHBondContact O-N 2.91Å; E747-L750 PolarHBondContact O-N 2.88Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 2.99Å; L750-I753 PolarHBondContact O-N 3.48Å; L750-R754 WeakPolarHBondContact O-CG 3.27Å; L750-R754 PolarHBondContact O-N 3.38Å; L750-L925 HydrophobicContact CD2-CD1 4.01Å; L750-L925 HydrophobicContact CG-CD1 4.22Å; L750-N929 HydrophobicContact CD1-CB 3.93Å; L750-N929 HydrophobicContact CD2-CB 3.84Å; L750-V930 HydrophobicContact CD2-CG2 3.84Å; L750-L933 HydrophobicContact CB-CD1 4.22Å; L750-L933 HydrophobicContact CD1-CD1 4.43Å; L750-L933 HydrophobicContact CD2-CD1 3.93Å; L750-L933 HydrophobicContact CG-CD1 4.41Å
751K85.8Confident86.1Confident69 Ų6935.4 Ų35.430%0.317%0.171SC..Hα-helixtrans-62.9-45.8-175.2-157.878.7169.1-168.90114.4M587 Y595 E747 I748 I753 R754 Y755M587-K751 HydrophobicContact CE-CB 3.93Å; M587-K751 HydrophobicContact CE-CD 4.05Å; M587-K751 HydrophobicContact CE-CG 4.14Å; M587-K751 HydrophobicContact SD-CB 3.7Å; M587-K751 HydrophobicContact SD-CD 3.8Å; M587-K751 HydrophobicContact SD-CG 3.48Å; M587-K751 WeakPolarHBondContact SD-CG 3.22Å; Y595-K751 HydrophobicContact CE1-CB 4.3Å; Y595-K751 HydrophobicContact CE1-CG 4.11Å; Y595-K751 VanDerWaalsContact OH-CG 3.28Å; Y595-K751 WeakPolarHBondContact OH-CG 3.28Å; E747-K751 PolarHBondContact O-N 2.98Å; E747-K751 VanDerWaalsContact O-N 3.12Å; I748-K751 PolarHBondContact O-N 3.13Å; K751-I753 PolarHBondContact O-N 3.24Å; K751-R754 PolarHBondContact O-N 2.98Å; K751-Y755 PolarHBondContact O-N 3.13Å
752P85Confident85.6Confident3 Ų339.5 Ų39.52%0.01919%0.192CC..Hα-helixtrans-57-40.1175.5-26.836.7000112.2Y595 I748 Y755 Y756 Y794Y595-P752 HydrophobicContact CD1-CB 4.1Å; Y595-P752 HydrophobicContact CD1-CG 3.64Å; Y595-P752 HydrophobicContact CE1-CG 4.27Å; Y595-P752 HydrophobicContact CG-CB 4.12Å; Y595-P752 HydrophobicContact CG-CG 4.16Å; I748-P752 WeakPolarHBondContact O-CD 3.21Å; P752-Y755 WeakPolarHBondContact O-CB 3.43Å; P752-Y755 PolarHBondContact O-N 3.35Å; P752-Y756 HydrophobicContact CB-CE2 4.39Å; P752-Y756 WeakPolarHBondContact O-CD2 3.44Å; P752-Y756 PolarHBondContact O-N 3.38Å; P752-Y794 HydrophobicContact CB-CD1 4.47Å; P752-Y794 HydrophobicContact CB-CD2 4.19Å; P752-Y794 HydrophobicContact CB-CE1 4.23Å; P752-Y794 HydrophobicContact CB-CE2 3.94Å; P752-Y794 HydrophobicContact CB-CG 4.45Å; P752-Y794 HydrophobicContact CG-CD2 4.44Å; P752-Y794 HydrophobicContact CG-CE1 4.3Å; P752-Y794 HydrophobicContact CG-CE2 3.71Å
753I86.1Confident85.2Confident1 Ų141.7 Ų41.71%0.00520%0.204CC..Hα-helixtrans-67.9-46.3-179.8-59.1172.8000110.3L750 K751 Y755 Y756 L757 I791 Y794 L795 V930L750-I753 PolarHBondContact O-N 3.48Å; K751-I753 PolarHBondContact O-N 3.24Å; I753-Y755 PolarHBondContact O-N 3.1Å; I753-Y756 PolarHBondContact O-N 2.83Å; I753-L757 HydrophobicContact CG2-CD1 3.83Å; I753-L757 HydrophobicContact CG2-CG 4.32Å; I753-L757 WeakPolarHBondContact O-CB 3.48Å; I753-L757 WeakPolarHBondContact O-CG 3.34Å; I753-L757 PolarHBondContact O-N 2.9Å; I753-I791 HydrophobicContact CG2-CD1 4.49Å; I753-Y794 HydrophobicContact CD1-CD1 4.07Å; I753-Y794 HydrophobicContact CD1-CE1 3.99Å; I753-Y794 HydrophobicContact CG1-CD1 3.84Å; I753-Y794 HydrophobicContact CG1-CE1 3.95Å; I753-L795 HydrophobicContact CD1-CD2 3.99Å; I753-V930 HydrophobicContact CD1-CB 4.25Å; I753-V930 HydrophobicContact CD1-CG1 3.89Å; I753-V930 HydrophobicContact CD1-CG2 3.38Å; I753-V930 HydrophobicContact CG2-CG1 4.32Å
754R88.2Confident84.6Confident92 Ų9245.1 Ų45.135%0.34721%0.214SC..Hα-helixtrans-59.1-35.5173.5-69.9-179.2-174.5162.28.5111.9E747 L750 K751 K758 L933E747-R754 IonicContact OE1-CZ 2.83Å; E747-R754 IonicContact OE1-NH1 3.94Å; E747-R754 IonicContact OE1-NH2 3.33Å; E747-R754 PolarHBondContact OE1-NH2 3.33Å; E747-R754 IonicContact OE2-CZ 3.31Å; E747-R754 IonicContact OE2-NH1 2.82Å; E747-R754 PolarHBondContact OE2-NH1 3.2Å; E747-R754 IonicContact OE2-NH2 3.96Å; E747-R754 PolarHBondContact OE2-NH2 3.47Å; L750-R754 WeakPolarHBondContact O-CG 3.27Å; L750-R754 PolarHBondContact O-N 3.38Å; K751-R754 PolarHBondContact O-N 2.98Å; R754-K758 PolarHBondContact O-N 3Å; R754-K758 VanDerWaalsContact O-N 3.15Å; R754-L933 HydrophobicContact CG-CD1 3.96Å; R754-L933 HydrophobicContact CG-CD2 4.14Å
755Y86.2Confident84.2Confident109 Ų10946.5 Ų46.543%0.42722%0.221SC..Hα-helixtrans-65.8-47.9175.9177.4-94.6000111.8Y595 K751 P752 I753 L757 K758Y595-Y755 AromaticContact CD2-CD1 3.85Å; Y595-Y755 HydrophobicContact CD2-CD1 3.85Å; Y595-Y755 HydrophobicContact CD2-CD2 4.17Å; Y595-Y755 HydrophobicContact CD2-CE1 4.4Å; Y595-Y755 AromaticContact CD2-CG 3.72Å; Y595-Y755 HydrophobicContact CD2-CG 3.72Å; Y595-Y755 HydrophobicContact CE2-CD1 4.33Å; Y595-Y755 AromaticContact CE2-CD2 3.83Å; Y595-Y755 HydrophobicContact CE2-CD2 3.83Å; Y595-Y755 HydrophobicContact CE2-CE2 4.48Å; Y595-Y755 AromaticContact CE2-CG 3.74Å; Y595-Y755 HydrophobicContact CE2-CG 3.74Å; K751-Y755 PolarHBondContact O-N 3.13Å; P752-Y755 WeakPolarHBondContact O-CB 3.43Å; P752-Y755 PolarHBondContact O-N 3.35Å; I753-Y755 PolarHBondContact O-N 3.1Å; Y755-L757 PolarHBondContact O-N 3.2Å; Y755-K758 WeakPolarHBondContact O-CB 3.48Å; Y755-K758 PolarHBondContact O-N 3.32Å
756Y84.9Confident83.8Confident26 Ų2646.5 Ų46.510%0.10222%0.221CC..Hα-helixtrans-67.4-33.2177.8-62.7-45.8000113.2Y595 P752 I753 K790 I791Y595-Y756 PolarHBondContact O-OH 2.94Å; P752-Y756 HydrophobicContact CB-CE2 4.39Å; P752-Y756 WeakPolarHBondContact O-CD2 3.44Å; P752-Y756 PolarHBondContact O-N 3.38Å; I753-Y756 PolarHBondContact O-N 2.83Å; Y756-K790 HydrophobicContact CD1-CB 4.35Å; Y756-K790 HydrophobicContact CD1-CD 4.13Å; Y756-K790 HydrophobicContact CD2-CB 4.26Å; Y756-K790 HydrophobicContact CE1-CB 4.34Å; Y756-K790 HydrophobicContact CE1-CD 3.97Å; Y756-K790 HydrophobicContact CE2-CB 4.21Å; Y756-K790 HydrophobicContact CG-CB 4.35Å; Y756-I791 HydrophobicContact CD2-CG1 4.15Å; Y756-I791 HydrophobicContact CG-CG1 4.5Å
757L86.2Confident83.4Confident10 Ų1046.1 Ų46.15%0.05222%0.221CC..Hα-helixtrans-76.3-20.7178.3-70.7176.7000113.9I753 Y755 S759 V760 P761 Y787 I791 L933 I934 A937I753-L757 HydrophobicContact CG2-CD1 3.83Å; I753-L757 HydrophobicContact CG2-CG 4.32Å; I753-L757 WeakPolarHBondContact O-CB 3.48Å; I753-L757 WeakPolarHBondContact O-CG 3.34Å; I753-L757 PolarHBondContact O-N 2.9Å; Y755-L757 PolarHBondContact O-N 3.2Å; L757-S759 PolarHBondContact O-N 3.26Å; L757-S759 VanDerWaalsContact O-N 3.17Å; L757-V760 HydrophobicContact CD2-CG2 4.07Å; L757-V760 WeakPolarHBondContact O-CB 3.3Å; L757-V760 PolarHBondContact O-N 3.25Å; L757-P761 WeakPolarHBondContact O-CD 3.31Å; L757-Y787 HydrophobicContact CD2-CD2 4.24Å; L757-Y787 HydrophobicContact CD2-CE2 4.46Å; L757-I791 HydrophobicContact CD2-CD1 3.65Å; L757-I791 HydrophobicContact CG-CD1 3.93Å; L757-L933 HydrophobicContact CD1-CB 3.96Å; L757-I934 HydrophobicContact CD1-CG1 4.01Å; L757-I934 HydrophobicContact CD2-CG1 4.25Å; L757-A937 HydrophobicContact CB-CB 3.98Å; L757-A937 HydrophobicContact CD1-CB 4.11Å; L757-A937 HydrophobicContact CD2-CB 3.97Å; L757-A937 HydrophobicContact CG-CB 4.24Å
758K83.9Confident82.7Confident172 Ų17247 Ų4775%0.74823%0.226SC*.THydrogen-bonded Turntrans-58-33.5-175.3-171177.6178.8-176.60113.6R754 Y755R754-K758 PolarHBondContact O-N 3Å; R754-K758 VanDerWaalsContact O-N 3.15Å; Y755-K758 WeakPolarHBondContact O-CB 3.48Å; Y755-K758 PolarHBondContact O-N 3.32Å
759S81.2Confident81.9Confident79 Ų7952.6 Ų52.655%0.55225%0.252SS*.THydrogen-bonded Turntrans-87.3-10.2-179.5-60.20000113.9L757 D762 L763L757-S759 PolarHBondContact O-N 3.26Å; L757-S759 VanDerWaalsContact O-N 3.17Å; S759-D762 PolarHBondContact O-N 3.49Å; S759-L763 WeakPolarHBondContact O-CG 3.44Å; S759-L763 PolarHBondContact O-N 3.46Å
760V82.9Confident80.9Confident1 Ų153.2 Ų53.21%0.00626%0.257CS..G310 helixtrans-64.3-45-172.2176.60000113.3L757 D762 L763 W766 Y787L757-V760 HydrophobicContact CD2-CG2 4.07Å; L757-V760 WeakPolarHBondContact O-CB 3.3Å; L757-V760 PolarHBondContact O-N 3.25Å; V760-D762 PolarHBondContact O-N 3.27Å; V760-D762 VanDerWaalsContact O-N 3.12Å; V760-L763 HydrophobicContact CB-CD1 4.49Å; V760-L763 HydrophobicContact CG1-CD1 4.44Å; V760-L763 HydrophobicContact CG2-CD1 4.46Å; V760-L763 PolarHBondContact O-N 3.04Å; V760-W766 HydrophobicContact CG1-CZ2 4.15Å; V760-W766 PolarHBondContact O-NE1 2.86Å; V760-Y787 HydrophobicContact CG1-CE2 4.46Å; V760-Y787 HydrophobicContact CG2-CD1 4.11Å; V760-Y787 HydrophobicContact CG2-CD2 3.52Å; V760-Y787 HydrophobicContact CG2-CE1 4.5Å; V760-Y787 HydrophobicContact CG2-CE2 3.97Å; V760-Y787 HydrophobicContact CG2-CG 3.62Å
761P79.5Confident79.7Confident9 Ų961 Ų616%0.05830%0.298CS..G310 helixtrans-58.5-28-179.5-26.336000114.1L757 Q940L757-P761 WeakPolarHBondContact O-CD 3.31Å; P761-Q940 HydrophobicContact CB-CB 4.19Å; P761-Q940 HydrophobicContact CG-CB 3.99Å
762D79.4Confident78.5Confident85 Ų8563 Ų6346%0.45531%0.313SS..G310 helixtrans-101.93.8-173-58.2-36.3000113.3S759 V760 N764 N944S759-D762 PolarHBondContact O-N 3.49Å; V760-D762 PolarHBondContact O-N 3.27Å; V760-D762 VanDerWaalsContact O-N 3.12Å; D762-N764 PolarHBondContact O-N 3.48Å; D762-N944 PolarHBondContact OD1-ND2 3.3Å
763L81.1Confident77.3Confident49 Ų4966.7 Ų66.726%0.25735%0.35SS..  trans-61.7127.1-179.6-66.5169.2000110.6S759 V760 I765 W766 Y787S759-L763 WeakPolarHBondContact O-CG 3.44Å; S759-L763 PolarHBondContact O-N 3.46Å; V760-L763 HydrophobicContact CB-CD1 4.49Å; V760-L763 HydrophobicContact CG1-CD1 4.44Å; V760-L763 HydrophobicContact CG2-CD1 4.46Å; V760-L763 PolarHBondContact O-N 3.04Å; L763-I765 HydrophobicContact CB-CG2 4.19Å; L763-I765 PolarHBondContact O-N 3.25Å; L763-I765 VanDerWaalsContact O-N 3.14Å; L763-W766 HydrophobicContact CD1-CZ2 3.97Å; L763-W766 PolarHBondContact O-N 3.22Å; L763-Y787 HydrophobicContact CD1-CD1 4Å; L763-Y787 HydrophobicContact CD1-CE1 4.23Å
764N75.4Confident76.1Confident105 Ų10571.9 Ų71.956%0.56138%0.375SS*.G310 helixtrans-62.8-24.4-178.6-71.7-18.3000113D762 W766 F767 I768D762-N764 PolarHBondContact O-N 3.48Å; N764-W766 PolarHBondContact O-N 3.05Å; N764-W766 VanDerWaalsContact O-N 3.14Å; N764-F767 PolarHBondContact O-N 2.85Å; N764-I768 HydrophobicContact CB-CD1 3.69Å; N764-I768 HydrophobicContact CB-CG1 4.45Å; N764-I768 WeakPolarHBondContact O-CD1 3.47Å; N764-I768 VanDerWaalsContact O-CG1 3.28Å; N764-I768 WeakPolarHBondContact O-CG1 3.38Å; N764-I768 PolarHBondContact O-N 3.13Å
765I77.9Confident74.8Confident37 Ų3772.9 Ų72.919%0.1938%0.383CS..G310 helixtrans-60.9-26.2-175.2-156.2165.7000113.6L763 F767 Q1010L763-I765 HydrophobicContact CB-CG2 4.19Å; L763-I765 PolarHBondContact O-N 3.25Å; L763-I765 VanDerWaalsContact O-N 3.14Å; I765-F767 PolarHBondContact O-N 3.04Å; I765-Q1010 HydrophobicContact CD1-CG 4.08Å
766W81.6Confident73.8Confident0 Ų068.5 Ų68.50%037%0.369CS..G310 helixtrans-63-28.9176.3-54.6136000112.3V760 L763 N764 Y787 I941 L1003 T1004 Q1010 L1011V760-W766 HydrophobicContact CG1-CZ2 4.15Å; V760-W766 PolarHBondContact O-NE1 2.86Å; L763-W766 HydrophobicContact CD1-CZ2 3.97Å; L763-W766 PolarHBondContact O-N 3.22Å; N764-W766 PolarHBondContact O-N 3.05Å; N764-W766 VanDerWaalsContact O-N 3.14Å; W766-Y787 HydrophobicContact CZ2-CE1 4.47Å; W766-I941 HydrophobicContact CB-CG2 4.01Å; W766-I941 VanDerWaalsContact CD1-CG2 3.42Å; W766-I941 HydrophobicContact CD2-CD1 4.2Å; W766-I941 HydrophobicContact CD2-CG2 4.35Å; W766-I941 HydrophobicContact CG-CG2 3.67Å; W766-I941 HydrophobicContact CZ2-CD1 4Å; W766-L1003 HydrophobicContact CB-CD1 3.81Å; W766-L1003 HydrophobicContact CB-CG 4.28Å; W766-L1003 HydrophobicContact CG-CD1 4.4Å; W766-T1004 PolarHBondContact O-N 3.38Å; W766-T1004 PolarHBondContact O-OG1 3.31Å; W766-Q1010 HydrophobicContact CZ3-CB 4.28Å; W766-Q1010 HydrophobicContact CZ3-CG 4.2Å; W766-L1011 HydrophobicContact CH2-CB 4.33Å; W766-L1011 HydrophobicContact CH2-CD1 3.89Å; W766-L1011 HydrophobicContact CZ3-CB 3.8Å; W766-L1011 HydrophobicContact CZ3-CD1 4.17Å
767F78.6Confident73.2Confident51 Ų5169.3 Ų69.322%0.22438%0.375CS..THydrogen-bonded Turntrans-112.5-1.8-170.7-46.8-79.2000113.7N764 I765 I941 K945 L1002 T1004N764-F767 PolarHBondContact O-N 2.85Å; I765-F767 PolarHBondContact O-N 3.04Å; F767-I941 HydrophobicContact CZ-CG2 4.32Å; F767-K945 HydrophobicContact CD2-CD 4.42Å; F767-K945 HydrophobicContact CE1-CD 4.39Å; F767-K945 HydrophobicContact CE2-CD 4.12Å; F767-K945 VanDerWaalsContact CE2-NZ 3.34Å; F767-K945 HydrophobicContact CZ-CD 4.12Å; F767-L1002 WeakPolarHBondContact CD1-O 3.31Å; F767-L1002 WeakPolarHBondContact CE1-O 3.14Å; F767-T1004 VanDerWaalsContact C-CG2 3.45Å; F767-T1004 WeakPolarHBondContact O-CG2 3.02Å
768I72.3Confident72.6Confident81 Ų8172.4 Ų72.442%0.41540%0.395SS..PPolyproline II helixtrans-95138.3-175.2-71.2166.1000111.2N764 T1004N764-I768 HydrophobicContact CB-CD1 3.69Å; N764-I768 HydrophobicContact CB-CG1 4.45Å; N764-I768 WeakPolarHBondContact O-CD1 3.47Å; N764-I768 VanDerWaalsContact O-CG1 3.28Å; N764-I768 WeakPolarHBondContact O-CG1 3.38Å; N764-I768 PolarHBondContact O-N 3.13Å; I768-T1004 PolarHBondContact O-OG1 2.93Å
769H69.3Low71.9Confident120 Ų12070 Ų7056%0.55639%0.391SS*.PPolyproline II helixtrans-90.8138.7164.3-63.878.2000109.7T1004H769-T1004 VanDerWaalsContact CE1-CG2 3.41Å; H769-T1004 WeakPolarHBondContact CE1-CG2 3.24Å
770P65.4Low71.5Confident14 Ų1474.6 Ų74.69%0.09141%0.408CS..PPolyproline II helixtrans-66.1144-178.425.2-30.4000111.4N772 G773 E774 L777P770-N772 PolarHBondContact O-N 2.91Å; P770-G773 PolarHBondContact O-N 3.15Å; P770-E774 WeakPolarHBondContact CD-O 3.49Å; P770-E774 WeakPolarHBondContact CG-O 3.45Å; P770-L777 HydrophobicContact CB-CD1 4.41Å; P770-L777 HydrophobicContact CB-CD2 3.61Å; P770-L777 HydrophobicContact CB-CG 3.73Å; P770-L777 HydrophobicContact CG-CD2 4.28Å; P770-L777 HydrophobicContact CG-CG 4.14Å
771N63.3Low71.2Confident168 Ų16876.9 Ų76.990%0.89843%0.427SS*.THydrogen-bonded Turntrans-58.8-6.6-174.9-68.3-11.3000115.1G773N771-G773 VanDerWaalsContact C-N 3.3Å; N771-G773 PolarHBondContact O-N 2.73Å
772N59.7Low71.3Confident112 Ų11277.3 Ų77.360%0.59943%0.428SS*.THydrogen-bonded Turntrans-82.4-2.5-178-65.80.9000113.6P770 E774P770-N772 PolarHBondContact O-N 2.91Å; N772-E774 PolarHBondContact O-N 3.33Å
773G59.7Low71.5Confident79 Ų7979.3 Ų79.381%0.81444%0.438SS*.SBendtrans74.4-1.8-176.300000114.4P770 N771P770-G773 PolarHBondContact O-N 3.15Å; N771-G773 VanDerWaalsContact C-N 3.3Å; N771-G773 PolarHBondContact O-N 2.73Å
774E61.7Low71.7Confident110 Ų11078.9 Ų78.951%0.51444%0.438SS..SBendtrans-85.7148.7171.3-65.1-179.1164.400110.2P770 N772 C776P770-E774 WeakPolarHBondContact CD-O 3.49Å; P770-E774 WeakPolarHBondContact CG-O 3.45Å; N772-E774 PolarHBondContact O-N 3.33Å; E774-C776 WeakPolarHBondContact CB-O 3.48Å; E774-C776 PolarHBondContact O-N 3.34Å
775E60.5Low72.2Confident113 Ų11376.3 Ų76.353%0.52842%0.422SS..SBendtrans-64.5-21.6177.8-63.9-177142.300113K1005 H1006E775-K1005 HydrophobicContact CB-CD 4.18Å; E775-K1005 IonicContact OE1-NZ 2.8Å; E775-K1005 PolarHBondContact OE1-NZ 3.27Å; E775-K1005 WeakPolarHBondContact OE2-CD 3.32Å; E775-K1005 WeakPolarHBondContact OE2-CE 3.41Å; E775-K1005 IonicContact OE2-NZ 2.92Å; E775-K1005 PolarHBondContact OE2-NZ 3.45Å; E775-H1006 PolarHBondContact O-N 3.19Å
776C64.4Low72.6Confident18 Ų1879.8 Ų79.812%0.12244%0.442CS..SBendtrans-147.5153.3-176-73.30000109.9E774 Y782 K1009E774-C776 WeakPolarHBondContact CB-O 3.48Å; E774-C776 PolarHBondContact O-N 3.34Å; C776-Y782 WeakPolarHBondContact CB-OH 3.34Å; C776-K1009 HydrophobicContact CB-CD 4.01Å
777L72.4Confident72.9Confident43 Ų4380.8 Ų80.823%0.22545%0.445CS..  trans-75.5161.5167.3-66.1168.7000110P770 A781 Y782P770-L777 HydrophobicContact CB-CD1 4.41Å; P770-L777 HydrophobicContact CB-CD2 3.61Å; P770-L777 HydrophobicContact CB-CG 3.73Å; P770-L777 HydrophobicContact CG-CD2 4.28Å; P770-L777 HydrophobicContact CG-CG 4.14Å; L777-A781 HydrophobicContact CB-CB 3.84Å; L777-A781 HydrophobicContact CD1-CB 4.3Å; L777-Y782 HydrophobicContact CB-CE2 3.99Å; L777-Y782 PolarHBondContact N-OH 2.89Å; L777-Y782 VanDerWaalsContact N-OH 3.07Å; L777-Y782 VanDerWaalsContact O-CE2 3.3Å; L777-Y782 WeakPolarHBondContact O-CE2 3.37Å
778P73.7Confident73.3Confident74 Ų7478.4 Ų78.448%0.48144%0.435SS..  trans-53.9141.7167.2-24.533.7000110.5L780 A781P778-L780 PolarHBondContact O-N 2.76Å; P778-A781 VanDerWaalsContact O-CB 3.26Å; P778-A781 WeakPolarHBondContact O-CB 3.4Å; P778-A781 PolarHBondContact O-N 3.43Å
779N68.8Low74Confident123 Ų12376 Ų7666%0.65842%0.424SS*.G310 helixtrans-54.6-29.5-173-69.1-9.5000113.9A781 K1009N779-A781 VanDerWaalsContact C-N 3.27Å; N779-A781 PolarHBondContact O-N 3.46Å; N779-K1009 PolarHBondContact OD1-NZ 3.06Å
780L72.8Confident74.8Confident174 Ų17474 Ų7491%0.91141%0.414SS*.G310 helixtrans-71.6-14176.7-77.8139.8000114.5P778P778-L780 PolarHBondContact O-N 2.76Å
781A77.7Confident75.8Confident50 Ų5073.4 Ų73.441%0.41341%0.41SS..G310 helixtrans-85.4-16.4-17900000113.1L777 P778 N779L777-A781 HydrophobicContact CB-CB 3.84Å; L777-A781 HydrophobicContact CD1-CB 4.3Å; P778-A781 VanDerWaalsContact O-CB 3.26Å; P778-A781 WeakPolarHBondContact O-CB 3.4Å; P778-A781 PolarHBondContact O-N 3.43Å; N779-A781 VanDerWaalsContact C-N 3.27Å; N779-A781 PolarHBondContact O-N 3.46Å
782Y80.6Confident77Confident17 Ų1765.4 Ų65.47%0.06737%0.367CS..  trans-79.3123.8178.4-66-84.5000110.5C776 L777 H1006 K1009 Q1010 V1013C776-Y782 WeakPolarHBondContact CB-OH 3.34Å; L777-Y782 HydrophobicContact CB-CE2 3.99Å; L777-Y782 PolarHBondContact N-OH 2.89Å; L777-Y782 VanDerWaalsContact N-OH 3.07Å; L777-Y782 VanDerWaalsContact O-CE2 3.3Å; L777-Y782 WeakPolarHBondContact O-CE2 3.37Å; Y782-H1006 AromaticContact CE1-CD2 3.74Å; Y782-H1006 AromaticContact CE1-NE2 3.77Å; Y782-H1006 AromaticContact CZ-CD2 3.94Å; Y782-H1006 PolarHBondContact OH-CD2 2.77Å; Y782-K1009 HydrophobicContact CD1-CB 4.42Å; Y782-K1009 HydrophobicContact CE1-CB 3.85Å; Y782-K1009 HydrophobicContact CE2-CB 4.07Å; Y782-K1009 HydrophobicContact CE2-CD 3.81Å; Y782-Q1010 HydrophobicContact CD1-CB 4.29Å; Y782-Q1010 HydrophobicContact CE1-CB 4.42Å; Y782-V1013 VanDerWaalsContact CB-CG2 3.5Å; Y782-V1013 HydrophobicContact CG-CG2 4.16Å
783L84.9Confident78.2Confident128 Ų12866.4 Ų66.467%0.6737%0.368SS*.  trans-120.6148.6174.6-73.5159.6000108.5Q785 Q1010L783-Q785 PolarHBondContact O-N 3.45Å; L783-Q1010 PolarHBondContact O-NE2 3.25Å
784P84Confident79.5Confident40 Ų4063.4 Ų63.426%0.2633%0.332SS..  trans-58136.2176.5-22.533.3000111.4I788 T789 V1013 D1014 Y1017P784-I788 HydrophobicContact CB-CG2 3.75Å; P784-T789 HydrophobicContact CB-CG2 3.86Å; P784-V1013 HydrophobicContact CG-CG1 4.33Å; P784-D1014 WeakPolarHBondContact CA-OD1 3.5Å; P784-Y1017 HydrophobicContact CB-CD1 4.34Å; P784-Y1017 HydrophobicContact CB-CD2 4.28Å; P784-Y1017 HydrophobicContact CB-CG 3.94Å; P784-Y1017 HydrophobicContact CG-CD2 3.83Å; P784-Y1017 HydrophobicContact CG-CG 3.87Å
785Q87.3Confident80.6Confident50 Ų5058.1 Ų58.123%0.23431%0.308CS..  trans-65.4159.9-180-71.4-59-46.900113.2L783 Y787 I788 T789 Q1010 D1014L783-Q785 PolarHBondContact O-N 3.45Å; Q785-Y787 HydrophobicContact CB-CD1 3.5Å; Q785-Y787 HydrophobicContact CB-CE1 3.51Å; Q785-Y787 HydrophobicContact CG-CD1 4.37Å; Q785-Y787 HydrophobicContact CG-CE1 4.06Å; Q785-Y787 PolarHBondContact O-N 2.83Å; Q785-I788 WeakPolarHBondContact O-CG2 3.47Å; Q785-I788 PolarHBondContact O-N 3.41Å; Q785-T789 WeakPolarHBondContact O-CG2 3.42Å; Q785-T789 PolarHBondContact O-N 3.41Å; Q785-T789 VanDerWaalsContact O-N 3.13Å; Q785-T789 PolarHBondContact O-OG1 3.37Å; Q785-Q1010 HydrophobicContact CG-CG 4.08Å; Q785-Q1010 VanDerWaalsContact NE2-CD 3.29Å; Q785-D1014 PolarHBondContact N-OD1 2.82Å
786D85.8Confident81.8Confident111 Ų11157 Ų5759%0.59430%0.301SS*.Hα-helixtrans-57.5-33179.4-82.9-1.2000113.6T789 K790D786-T789 WeakPolarHBondContact CA-OG1 3.22Å; D786-T789 PolarHBondContact O-OG1 2.81Å; D786-T789 VanDerWaalsContact O-OG1 3.06Å; D786-K790 VanDerWaalsContact O-CB 3.3Å; D786-K790 WeakPolarHBondContact O-CB 3.34Å; D786-K790 WeakPolarHBondContact O-CD 3.38Å; D786-K790 WeakPolarHBondContact O-CG 3.15Å; D786-K790 PolarHBondContact O-N 3.17Å
787Y88.6Confident82.7Confident20 Ų2061 Ų618%0.07832%0.319CS..Hα-helixtrans-67.7-44.7-179.379.9-88000111.3L757 V760 L763 W766 Q785 K790 I791 D1014L757-Y787 HydrophobicContact CD2-CD2 4.24Å; L757-Y787 HydrophobicContact CD2-CE2 4.46Å; V760-Y787 HydrophobicContact CG1-CE2 4.46Å; V760-Y787 HydrophobicContact CG2-CD1 4.11Å; V760-Y787 HydrophobicContact CG2-CD2 3.52Å; V760-Y787 HydrophobicContact CG2-CE1 4.5Å; V760-Y787 HydrophobicContact CG2-CE2 3.97Å; V760-Y787 HydrophobicContact CG2-CG 3.62Å; L763-Y787 HydrophobicContact CD1-CD1 4Å; L763-Y787 HydrophobicContact CD1-CE1 4.23Å; W766-Y787 HydrophobicContact CZ2-CE1 4.47Å; Q785-Y787 HydrophobicContact CB-CD1 3.5Å; Q785-Y787 HydrophobicContact CB-CE1 3.51Å; Q785-Y787 HydrophobicContact CG-CD1 4.37Å; Q785-Y787 HydrophobicContact CG-CE1 4.06Å; Q785-Y787 PolarHBondContact O-N 2.83Å; Y787-K790 PolarHBondContact O-N 3.34Å; Y787-I791 HydrophobicContact CD2-CD1 4.08Å; Y787-I791 VanDerWaalsContact O-CG1 3.24Å; Y787-I791 WeakPolarHBondContact O-CG1 3.42Å; Y787-I791 PolarHBondContact O-N 3.13Å; Y787-D1014 WeakPolarHBondContact CE1-OD2 3.3Å; Y787-D1014 VanDerWaalsContact OH-CB 3.3Å; Y787-D1014 WeakPolarHBondContact OH-CB 3.21Å; Y787-D1014 PolarHBondContact OH-OD2 3.22Å
788I86.5Confident83.3Confident2 Ų259 Ų591%0.0131%0.309CS..Hα-helixtrans-75.1-33.1-176.5-160.470.7000111.2P784 Q785 G792 D1014 Y1017 L1018P784-I788 HydrophobicContact CB-CG2 3.75Å; Q785-I788 WeakPolarHBondContact O-CG2 3.47Å; Q785-I788 PolarHBondContact O-N 3.41Å; I788-G792 PolarHBondContact O-N 2.91Å; I788-D1014 HydrophobicContact CB-CB 4.49Å; I788-D1014 HydrophobicContact CG2-CB 4.11Å; I788-Y1017 HydrophobicContact CB-CD1 4.49Å; I788-Y1017 HydrophobicContact CG1-CD1 3.94Å; I788-Y1017 HydrophobicContact CG2-CD1 3.97Å; I788-L1018 HydrophobicContact CD1-CB 4.25Å; I788-L1018 HydrophobicContact CD1-CD1 4.38Å; I788-L1018 HydrophobicContact CG1-CB 4.49Å
789T87.4Confident83.6Confident30 Ų3056.8 Ų56.818%0.18430%0.295CS..Hα-helixtrans-68.4-40.4173.955.60000111.9P784 Q785 D786 G792 Q793 Y1017P784-T789 HydrophobicContact CB-CG2 3.86Å; Q785-T789 WeakPolarHBondContact O-CG2 3.42Å; Q785-T789 PolarHBondContact O-N 3.41Å; Q785-T789 VanDerWaalsContact O-N 3.13Å; Q785-T789 PolarHBondContact O-OG1 3.37Å; D786-T789 WeakPolarHBondContact CA-OG1 3.22Å; D786-T789 PolarHBondContact O-OG1 2.81Å; D786-T789 VanDerWaalsContact O-OG1 3.06Å; T789-G792 PolarHBondContact O-N 2.97Å; T789-Q793 WeakPolarHBondContact O-CG 3.34Å; T789-Q793 PolarHBondContact O-N 3.31Å; T789-Y1017 HydrophobicContact CG2-CE1 4.3Å
790K86.4Confident84.2Confident79 Ų7953.3 Ų53.334%0.34328%0.283SS..Hα-helixtrans-64.4-44173.2-75.3172.6-173.4173.50112.4Y756 D786 Y787 G792 Q793 Y794Y756-K790 HydrophobicContact CD1-CB 4.35Å; Y756-K790 HydrophobicContact CD1-CD 4.13Å; Y756-K790 HydrophobicContact CD2-CB 4.26Å; Y756-K790 HydrophobicContact CE1-CB 4.34Å; Y756-K790 HydrophobicContact CE1-CD 3.97Å; Y756-K790 HydrophobicContact CE2-CB 4.21Å; Y756-K790 HydrophobicContact CG-CB 4.35Å; D786-K790 VanDerWaalsContact O-CB 3.3Å; D786-K790 WeakPolarHBondContact O-CB 3.34Å; D786-K790 WeakPolarHBondContact O-CD 3.38Å; D786-K790 WeakPolarHBondContact O-CG 3.15Å; D786-K790 PolarHBondContact O-N 3.17Å; Y787-K790 PolarHBondContact O-N 3.34Å; K790-G792 PolarHBondContact O-N 2.88Å; K790-Q793 PolarHBondContact O-N 2.97Å; K790-Y794 PolarHBondContact O-N 3.24Å
791I86.4Confident84.5Confident0 Ų046.7 Ų46.70%025%0.247CC..Hα-helixtrans-57.8-43.9172.4-70.3167000109.4I753 Y756 L757 Y787 Y794 L795 I934I753-I791 HydrophobicContact CG2-CD1 4.49Å; Y756-I791 HydrophobicContact CD2-CG1 4.15Å; Y756-I791 HydrophobicContact CG-CG1 4.5Å; L757-I791 HydrophobicContact CD2-CD1 3.65Å; L757-I791 HydrophobicContact CG-CD1 3.93Å; Y787-I791 HydrophobicContact CD2-CD1 4.08Å; Y787-I791 VanDerWaalsContact O-CG1 3.24Å; Y787-I791 WeakPolarHBondContact O-CG1 3.42Å; Y787-I791 PolarHBondContact O-N 3.13Å; I791-Y794 PolarHBondContact O-N 2.87Å; I791-L795 HydrophobicContact CG2-CD1 3.91Å; I791-L795 HydrophobicContact CG2-CG 4.22Å; I791-L795 WeakPolarHBondContact O-CG 3.22Å; I791-L795 PolarHBondContact O-N 3.4Å; I791-I934 HydrophobicContact CG2-CD1 4.44Å
792G86.5Confident84.6Confident0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-62-45.8177.100000114.9I788 T789 K790 Y794 L795 F796 M1021I788-G792 PolarHBondContact O-N 2.91Å; T789-G792 PolarHBondContact O-N 2.97Å; K790-G792 PolarHBondContact O-N 2.88Å; G792-Y794 VanDerWaalsContact C-N 3.26Å; G792-Y794 PolarHBondContact O-N 3.5Å; G792-L795 PolarHBondContact O-N 3.14Å; G792-F796 WeakPolarHBondContact O-CD2 3.39Å; G792-F796 PolarHBondContact O-N 3.44Å; G792-M1021 WeakPolarHBondContact CA-SD 3.42Å
793Q86.4Confident84.3Confident134 Ų13447.5 Ų47.563%0.62624%0.243SC*.Hα-helixtrans-59.4-40.2175.4-72.4172.36.200111.7T789 K790 M797T789-Q793 WeakPolarHBondContact O-CG 3.34Å; T789-Q793 PolarHBondContact O-N 3.31Å; K790-Q793 PolarHBondContact O-N 2.97Å; Q793-M797 PolarHBondContact O-N 2.91Å
794Y86.2Confident83.7Confident15 Ų1545.3 Ų45.36%0.05924%0.237CC..Hα-helixtrans-65.9-47.1175.6178.8-103.7000112.1A598 A749 P752 I753 K790 I791 G792 F796 M797 L798A598-Y794 HydrophobicContact CB-CD2 4.41Å; A598-Y794 HydrophobicContact CB-CE2 3.84Å; A749-Y794 WeakPolarHBondContact CA-OH 3.46Å; A749-Y794 WeakPolarHBondContact O-CE1 3.48Å; A749-Y794 PolarHBondContact O-OH 3.34Å; P752-Y794 HydrophobicContact CB-CD1 4.47Å; P752-Y794 HydrophobicContact CB-CD2 4.19Å; P752-Y794 HydrophobicContact CB-CE1 4.23Å; P752-Y794 HydrophobicContact CB-CE2 3.94Å; P752-Y794 HydrophobicContact CB-CG 4.45Å; P752-Y794 HydrophobicContact CG-CD2 4.44Å; P752-Y794 HydrophobicContact CG-CE1 4.3Å; P752-Y794 HydrophobicContact CG-CE2 3.71Å; I753-Y794 HydrophobicContact CD1-CD1 4.07Å; I753-Y794 HydrophobicContact CD1-CE1 3.99Å; I753-Y794 HydrophobicContact CG1-CD1 3.84Å; I753-Y794 HydrophobicContact CG1-CE1 3.95Å; K790-Y794 PolarHBondContact O-N 3.24Å; I791-Y794 PolarHBondContact O-N 2.87Å; G792-Y794 VanDerWaalsContact C-N 3.26Å; G792-Y794 PolarHBondContact O-N 3.5Å; Y794-F796 VanDerWaalsContact C-N 3.32Å; Y794-F796 PolarHBondContact O-N 2.99Å; Y794-M797 WeakPolarHBondContact O-CA 3.3Å; Y794-M797 VanDerWaalsContact O-CB 3.3Å; Y794-M797 WeakPolarHBondContact O-CB 3.48Å; Y794-M797 PolarHBondContact O-N 3.42Å; Y794-L798 HydrophobicContact CD1-CD1 4.45Å; Y794-L798 HydrophobicContact CE1-CD1 3.97Å; Y794-L798 HydrophobicContact CE1-CD2 3.98Å; Y794-L798 HydrophobicContact CE1-CG 4.12Å; Y794-L798 HydrophobicContact CE2-CD2 4.24Å; Y794-L798 PolarHBondContact O-N 3.27Å
795L86.1Confident83.1Confident0 Ų044.7 Ų44.70%023%0.229CC..Hα-helixtrans-62.7-36.8179.3-70179.6000112.6I753 I791 G792 M797 L798 P799 I926 V930 M1021 L1025I753-L795 HydrophobicContact CD1-CD2 3.99Å; I791-L795 HydrophobicContact CG2-CD1 3.91Å; I791-L795 HydrophobicContact CG2-CG 4.22Å; I791-L795 WeakPolarHBondContact O-CG 3.22Å; I791-L795 PolarHBondContact O-N 3.4Å; G792-L795 PolarHBondContact O-N 3.14Å; L795-M797 VanDerWaalsContact C-N 3.27Å; L795-M797 PolarHBondContact O-N 3.45Å; L795-L798 HydrophobicContact CD2-CD1 3.99Å; L795-L798 PolarHBondContact O-N 2.8Å; L795-P799 WeakPolarHBondContact O-CD 3.3Å; L795-I926 HydrophobicContact CD2-CG1 4.32Å; L795-V930 HydrophobicContact CD1-CG1 4.13Å; L795-V930 HydrophobicContact CD2-CG1 4.31Å; L795-V930 HydrophobicContact CD2-CG2 4.21Å; L795-M1021 HydrophobicContact CB-SD 4.27Å; L795-M1021 HydrophobicContact CD1-SD 3.76Å; L795-L1025 HydrophobicContact CB-CD1 4.13Å
796F84.7Confident82.1Confident90 Ų9044.1 Ų44.140%0.39523%0.227SC..Hα-helixtrans-70.5-20.8172.5-79.5-63.7000113.6G792 Y794 M1021 D1024 L1025G792-F796 WeakPolarHBondContact O-CD2 3.39Å; G792-F796 PolarHBondContact O-N 3.44Å; Y794-F796 VanDerWaalsContact C-N 3.32Å; Y794-F796 PolarHBondContact O-N 2.99Å; F796-M1021 HydrophobicContact CD2-CG 4.33Å; F796-M1021 HydrophobicContact CE2-CB 4.35Å; F796-M1021 HydrophobicContact CE2-CG 3.61Å; F796-M1021 HydrophobicContact CZ-CB 4.47Å; F796-M1021 HydrophobicContact CZ-CG 3.86Å; F796-D1024 HydrophobicContact CE1-CB 4.17Å; F796-D1024 HydrophobicContact CZ-CB 3.93Å; F796-L1025 HydrophobicContact CD1-CD2 3.63Å; F796-L1025 HydrophobicContact CD1-CG 4.13Å; F796-L1025 HydrophobicContact CE1-CD2 3.72Å; F796-L1025 HydrophobicContact CE1-CG 3.8Å; F796-L1025 HydrophobicContact CZ-CG 4.37Å
797M83.7Confident80.7Confident100 Ų10042.7 Ų42.749%0.49323%0.226SC..Hα-helixtrans-78.6-31.8176-171.666.271.500112.3Q793 Y794 L795 A800 Q801Q793-M797 PolarHBondContact O-N 2.91Å; Y794-M797 WeakPolarHBondContact O-CA 3.3Å; Y794-M797 VanDerWaalsContact O-CB 3.3Å; Y794-M797 WeakPolarHBondContact O-CB 3.48Å; Y794-M797 PolarHBondContact O-N 3.42Å; L795-M797 VanDerWaalsContact C-N 3.27Å; L795-M797 PolarHBondContact O-N 3.45Å; M797-A800 WeakPolarHBondContact O-CB 3.48Å; M797-A800 PolarHBondContact O-N 2.64Å; M797-Q801 PolarHBondContact O-N 3.41Å
798L84.1Confident78.9Confident1 Ų144 Ų441%0.00524%0.238CC..Hα-helixtrans-56.7-48.5-175.8-66.4176.7000113.7F601 Y794 L795 A800 Q801 L802 L922 L925F601-L798 HydrophobicContact CD1-CD2 3.39Å; F601-L798 HydrophobicContact CE1-CB 4.49Å; F601-L798 HydrophobicContact CE1-CD2 3.5Å; F601-L798 HydrophobicContact CG-CD2 4.03Å; F601-L798 HydrophobicContact CZ-CD2 4.17Å; Y794-L798 HydrophobicContact CD1-CD1 4.45Å; Y794-L798 HydrophobicContact CE1-CD1 3.97Å; Y794-L798 HydrophobicContact CE1-CD2 3.98Å; Y794-L798 HydrophobicContact CE1-CG 4.12Å; Y794-L798 HydrophobicContact CE2-CD2 4.24Å; Y794-L798 PolarHBondContact O-N 3.27Å; L795-L798 HydrophobicContact CD2-CD1 3.99Å; L795-L798 PolarHBondContact O-N 2.8Å; L798-A800 VanDerWaalsContact C-N 3.29Å; L798-A800 PolarHBondContact O-N 2.78Å; L798-Q801 PolarHBondContact O-N 2.99Å; L798-Q801 VanDerWaalsContact O-N 3.15Å; L798-L802 PolarHBondContact O-N 3.45Å; L798-L922 HydrophobicContact CB-CD1 4.27Å; L798-L925 HydrophobicContact CD1-CD2 4.15Å
799P81.3Confident76.7Confident29 Ų2946.6 Ų46.619%0.18825%0.251CS..Hα-helixtrans-59.2-38.7177.2-21.830.2000113.1L795 Q801 L802 E803 F897 L922 L1025L795-P799 WeakPolarHBondContact O-CD 3.3Å; P799-Q801 PolarHBondContact O-N 3.3Å; P799-L802 PolarHBondContact O-N 3.43Å; P799-E803 PolarHBondContact O-N 2.62Å; P799-E803 VanDerWaalsContact O-N 3.09Å; P799-F897 HydrophobicContact CB-CD2 4.47Å; P799-F897 HydrophobicContact CG-CD2 4.29Å; P799-F897 HydrophobicContact CG-CE2 4.45Å; P799-L922 HydrophobicContact CG-CD2 4.14Å; P799-L1025 HydrophobicContact CG-CD2 4.26Å
800A81Confident74.4Confident49 Ų4951.8 Ų51.841%0.40528%0.278SS..Hα-helixtrans-64.4-26.4-179.800000112.5M797 L798M797-A800 WeakPolarHBondContact O-CB 3.48Å; M797-A800 PolarHBondContact O-N 2.64Å; L798-A800 VanDerWaalsContact C-N 3.29Å; L798-A800 PolarHBondContact O-N 2.78Å
801Q79.3Confident72Confident35 Ų3555.4 Ų55.416%0.16430%0.301CS..Hα-helixtrans-80-17.7174.7-61.9-161.8-21.200113.6A598 F601 L605 M797 L798 P799A598-Q801 VanDerWaalsContact CB-NE2 3.3Å; A598-Q801 PolarHBondContact O-NE2 3.02Å; A598-Q801 PolarHBondContact O-OE1 3.35Å; F601-Q801 HydrophobicContact CD1-CB 4.32Å; F601-Q801 HydrophobicContact CE1-CB 4.49Å; L605-Q801 HydrophobicContact CD1-CB 4.38Å; M797-Q801 PolarHBondContact O-N 3.41Å; L798-Q801 PolarHBondContact O-N 2.99Å; L798-Q801 VanDerWaalsContact O-N 3.15Å; P799-Q801 PolarHBondContact O-N 3.3Å
802L79.9Confident69.6Low3 Ų358.9 Ų58.92%0.01632%0.319CS..Hα-helixtrans-91-23.3175.9-68.3167.8000112.6L605 L798 P799 P804 Y805 L806 L834 V918 L922L605-L802 HydrophobicContact CD1-CD2 3.73Å; L605-L802 HydrophobicContact CD1-CG 4.37Å; L605-L802 HydrophobicContact CD2-CD2 3.8Å; L605-L802 HydrophobicContact CG-CD2 4.43Å; L798-L802 PolarHBondContact O-N 3.45Å; P799-L802 PolarHBondContact O-N 3.43Å; L802-P804 VanDerWaalsContact C-N 3.34Å; L802-Y805 PolarHBondContact O-N 3.12Å; L802-L806 HydrophobicContact CB-CD1 4.21Å; L802-L806 PolarHBondContact O-N 3.12Å; L802-L834 HydrophobicContact CD2-CD2 4.16Å; L802-V918 HydrophobicContact CD1-CG1 4.02Å; L802-V918 HydrophobicContact CD2-CG1 3.99Å; L802-V918 HydrophobicContact CG-CG1 4.43Å; L802-L922 HydrophobicContact CD1-CD1 4.15Å; L802-L922 HydrophobicContact CD1-CD2 4.27Å
803E74.6Confident66.8Low82 Ų8265.1 Ų65.138%0.38335%0.352SS..Hα-helixtrans-49.2-40.3179.6-169.3168.4-16700114.8P799 Y805 L806 S807 N896P799-E803 PolarHBondContact O-N 2.62Å; P799-E803 VanDerWaalsContact O-N 3.09Å; E803-Y805 PolarHBondContact O-N 2.83Å; E803-L806 PolarHBondContact O-N 3.41Å; E803-L806 VanDerWaalsContact O-N 3.16Å; E803-S807 PolarHBondContact O-N 2.96Å; E803-S807 VanDerWaalsContact O-N 3.14Å; E803-S807 PolarHBondContact O-OG 2.94Å; E803-N896 PolarHBondContact OE1-ND2 3.04Å
804P72.5Confident64.5Low82 Ų8264.3 Ų64.353%0.53235%0.351SS..Hα-helixtrans-60.4-31.7175.9-23.934.9000114L802L802-P804 VanDerWaalsContact C-N 3.34Å
805Y70.2Confident61.9Low26 Ų2670.5 Ų70.510%0.10239%0.385CS..Hα-helixtrans-88.7-11.6-178.7-57.1-84.2000112.6L605 K606 H609 L802 E803 A830 S831 L834L605-Y805 HydrophobicContact CB-CE2 4.11Å; L605-Y805 HydrophobicContact CD1-CE2 4.48Å; K606-Y805 WeakPolarHBondContact CA-OH 3.36Å; K606-Y805 WeakPolarHBondContact CG-OH 3.17Å; K606-Y805 PolarHBondContact N-OH 3.19Å; H609-Y805 HydrophobicContact CB-CE1 4Å; L802-Y805 PolarHBondContact O-N 3.12Å; E803-Y805 PolarHBondContact O-N 2.83Å; Y805-A830 WeakPolarHBondContact CD1-O 3.28Å; Y805-S831 VanDerWaalsContact O-CA 3.3Å; Y805-S831 WeakPolarHBondContact O-CA 3.43Å; Y805-S831 WeakPolarHBondContact O-CB 3.27Å; Y805-L834 HydrophobicContact CD1-CB 4.23Å; Y805-L834 HydrophobicContact CD1-CD2 3.94Å; Y805-L834 HydrophobicContact CD2-CD2 3.85Å; Y805-L834 HydrophobicContact CE2-CD2 4.5Å; Y805-L834 HydrophobicContact CG-CD2 3.52Å
806L67.5Low59.6Low38 Ų3874.2 Ų74.220%0.19942%0.416CS..Hα-helixtrans-96.2-25.4178.3-65.2166.3000112.1L802 E803 L900 V918L802-L806 HydrophobicContact CB-CD1 4.21Å; L802-L806 PolarHBondContact O-N 3.12Å; E803-L806 PolarHBondContact O-N 3.41Å; E803-L806 VanDerWaalsContact O-N 3.16Å; L806-L900 HydrophobicContact CD1-CD1 3.83Å; L806-L900 HydrophobicContact CD1-CD2 4.26Å; L806-V918 HydrophobicContact CD2-CB 4.3Å; L806-V918 HydrophobicContact CD2-CG1 4.38Å
807S56.1Low57.2Low81 Ų8175.2 Ų75.257%0.56642%0.422SS*.G310 helixtrans-86.5-13.9-172.3-51.70000114.5E803 M809E803-S807 PolarHBondContact O-N 2.96Å; E803-S807 VanDerWaalsContact O-N 3.14Å; E803-S807 PolarHBondContact O-OG 2.94Å; S807-M809 VanDerWaalsContact C-N 3.26Å; S807-M809 PolarHBondContact O-N 3.08Å
808S50.7Low54.9Low48 Ų4877.6 Ų77.634%0.33644%0.436SS..G310 helixtrans-79.92.2-173.5-171.60000114.7N810S808-N810 PolarHBondContact O-N 3.22Å
809M40.8Very low52.5Low56 Ų5684.8 Ų84.828%0.27647%0.474SS..G310 helixtrans-79.7-13.6-166.1-110.9-75.5-144.100115.5S807 E914 I915S807-M809 VanDerWaalsContact C-N 3.26Å; S807-M809 PolarHBondContact O-N 3.08Å; M809-E914 HydrophobicContact CE-CB 3.96Å; M809-E914 WeakPolarHBondContact CE-OE2 3.48Å; M809-I915 HydrophobicContact CE-CG1 4.27Å
810N38.2Very low50.1Low140 Ų14090 Ų9075%0.74950%0.501SS*.G310 helixtrans-90.2-1.6-165.6-74.4-8.4000116.2S808S808-N810 PolarHBondContact O-N 3.22Å
811D36.4Very low47.8Very low154 Ų15494.8 Ų94.882%0.82452%0.515SS*.G310 helixtrans-1156.6-168.6-75.8-25000116
812L35.3Very low45.5Very low73 Ų7397.5 Ų97.538%0.38253%0.534SS..  trans-103.896-177.3-68-176.5000113.7I814 L827 S829L812-I814 HydrophobicContact CB-CG1 4.48Å; L812-I814 PolarHBondContact O-N 3.25Å; L812-L827 HydrophobicContact CD1-CD2 4.07Å; L812-L827 HydrophobicContact CD2-CD2 3.88Å; L812-S829 VanDerWaalsContact CD1-CB 3.49Å; L812-S829 WeakPolarHBondContact CD1-OG 3.37Å
813N29Very low43.3Very low131 Ų131103.9 Ų103.970%0.70157%0.567SS**  trans-81.987.7167.1-153.918.7000108.7D815N813-D815 PolarHBondContact O-N 2.94Å
814I37.3Very low41.3Very low117 Ų117105.1 Ų105.160%0.658%0.575SS**G310 helixtrans-63.3-19-172.2-69.4169000113.1L812 A816L812-I814 HydrophobicContact CB-CG1 4.48Å; L812-I814 PolarHBondContact O-N 3.25Å; I814-A816 VanDerWaalsContact C-N 3.3Å; I814-A816 PolarHBondContact O-N 3.48Å
815D32.4Very low39.3Very low145 Ų145104.5 Ų104.578%0.77557%0.571SS**G310 helixtrans-76.7-7.3-173.4-64.7-25.1000115.2N813N813-D815 PolarHBondContact O-N 2.94Å
816A37.4Very low37.3Very low78 Ų78107.2 Ų107.265%0.64559%0.593SS**G310 helixtrans-102.6-7.3-171.800000115.9I814I814-A816 VanDerWaalsContact C-N 3.3Å; I814-A816 PolarHBondContact O-N 3.48Å
817Q34.7Very low35.9Very low112 Ų112108.4 Ų108.452%0.52360%0.6SS.*SBendtrans-111.21.4-170.3-73.6-174.2-2600115.6N819 L827Q817-N819 VanDerWaalsContact C-N 3.31Å; Q817-N819 PolarHBondContact O-N 3.35Å; Q817-L827 VanDerWaalsContact OE1-CD1 3.26Å
818L35.5Very low35Very low149 Ų149110.9 Ų110.978%0.7861%0.611SS**THydrogen-bonded Turntrans-81.2-2.5179.9-80.1161.5000114.8
819N33.4Very low35Very low152 Ų152108.9 Ų108.981%0.81360%0.597SS**THydrogen-bonded Turntrans-109.6-0-169.1-83.4-7.9000116.7Q817Q817-N819 VanDerWaalsContact C-N 3.31Å; Q817-N819 PolarHBondContact O-N 3.35Å
820D29.8Very low35.5Very low140 Ų140108.3 Ų108.375%0.74960%0.601SS**  trans-104.7113.9173.6-93.9-22000110.9T822D820-T822 PolarHBondContact O-N 3.15Å
821Q33.9Very low36.6Very low148 Ų148101.7 Ų101.769%0.69257%0.566SS**SBendtrans-69.224.7-178.6-70.5-178.5-18.900114.5
822T30.8Very low38.1Very low92 Ų9296.4 Ų96.456%0.56454%0.538SS*.SBendtrans-137.1132.1179.750.60000108.4D820D820-T822 PolarHBondContact O-N 3.15Å
823I32Very low40.1Very low138 Ų13893 Ų9371%0.70852%0.52SS*.SBendtrans89.9115157.8-50.9140.7000113.7
824I33.8Very low42.6Very low108 Ų10886.8 Ų86.855%0.55449%0.487SS*.  trans17.2119.8140.2-54161.5000113.1S826I824-S826 VanDerWaalsContact C-N 3.32Å; I824-S826 PolarHBondContact O-N 3.41Å
825P29.6Very low44.6Very low69 Ų6981.7 Ų81.745%0.44846%0.461SS..  trans-54.598.8173.1-14.625.4000109.2L827P825-L827 PolarHBondContact O-N 3.3Å; P825-L827 VanDerWaalsContact O-N 3.1Å
826S28.5Very low46.8Very low82 Ų8276.2 Ų76.257%0.57343%0.431SS*.  trans-87.170.4178.459.60000107.2I824I824-S826 VanDerWaalsContact C-N 3.32Å; I824-S826 PolarHBondContact O-N 3.41Å
827L38Very low49Very low64 Ų6472.6 Ų72.634%0.33540%0.401SS..  trans-128.677.1177.8-82.6125.9000109.5L812 Q817 P825 S829L812-L827 HydrophobicContact CD1-CD2 4.07Å; L812-L827 HydrophobicContact CD2-CD2 3.88Å; Q817-L827 VanDerWaalsContact OE1-CD1 3.26Å; P825-L827 PolarHBondContact O-N 3.3Å; P825-L827 VanDerWaalsContact O-N 3.1Å; L827-S829 PolarHBondContact O-N 3.42Å
828T37.8Very low51.4Low132 Ų13267.3 Ų67.381%0.8138%0.376SS*.  trans-84.489.4165.852.40000109.3
829S50.6Low53.5Low6 Ų663.3 Ų63.34%0.04235%0.353CS..  trans-96.7119.5155.130.50000107.5L812 L827 S831 D832L812-S829 VanDerWaalsContact CD1-CB 3.49Å; L812-S829 WeakPolarHBondContact CD1-OG 3.37Å; L827-S829 PolarHBondContact O-N 3.42Å; S829-S831 PolarHBondContact O-N 2.94Å; S829-D832 WeakPolarHBondContact CB-OD2 3.4Å; S829-D832 PolarHBondContact O-N 2.82Å; S829-D832 PolarHBondContact OG-OD2 3.19Å
830A51.3Low55.6Low44 Ų4457.3 Ų57.336%0.36432%0.321SS..THydrogen-bonded Turntrans-60.1-18.5-17900000112.8H609 Y805H609-A830 VanDerWaalsContact CE1-C 3.48Å; H609-A830 PolarHBondContact CE1-O 3.37Å; H609-A830 PolarHBondContact ND1-O 3.1Å; Y805-A830 WeakPolarHBondContact CD1-O 3.28Å
831S60.1Low57.8Low1 Ų151 Ų511%0.00729%0.289CS..THydrogen-bonded Turntrans-76-41.5-179.744.70000113.9Y805 S829 G833 L834 T835Y805-S831 VanDerWaalsContact O-CA 3.3Å; Y805-S831 WeakPolarHBondContact O-CA 3.43Å; Y805-S831 WeakPolarHBondContact O-CB 3.27Å; S829-S831 PolarHBondContact O-N 2.94Å; S831-G833 PolarHBondContact O-N 3.5Å; S831-L834 PolarHBondContact O-N 3.21Å; S831-L834 VanDerWaalsContact O-N 3.12Å; S831-T835 PolarHBondContact O-N 2.98Å; S831-T835 PolarHBondContact O-OG1 3.16Å
832D68.3Low59.6Low44 Ų4445 Ų4524%0.23526%0.262CS..Hα-helixtrans-78.4-34.3-155.1-59.4-1.5000111.7S829 L834 T835 H836S829-D832 WeakPolarHBondContact CB-OD2 3.4Å; S829-D832 PolarHBondContact O-N 2.82Å; S829-D832 PolarHBondContact OG-OD2 3.19Å; D832-L834 VanDerWaalsContact C-N 3.3Å; D832-L834 PolarHBondContact O-N 3.21Å; D832-T835 WeakPolarHBondContact CA-OG1 3.4Å; D832-T835 PolarHBondContact O-N 3.4Å; D832-T835 PolarHBondContact O-OG1 3.48Å; D832-H836 WeakPolarHBondContact O-CB 3.31Å; D832-H836 PolarHBondContact O-N 3.19Å
833G76.8Confident61.1Low0 Ų042.2 Ų42.20%025%0.246CC..Hα-helixtrans-59.9-40170.800000112.2G612 S831 C837G612-G833 WeakPolarHBondContact CA-O 3.48Å; S831-G833 PolarHBondContact O-N 3.5Å; G833-C837 WeakPolarHBondContact O-CB 3.33Å; G833-C837 PolarHBondContact O-N 3.47Å
834L83.1Confident62.6Low1 Ų141.7 Ų41.71%0.00525%0.245CC..Hα-helixtrans-71.5-44.2-178.1-172.567.4000111.4L605 A608 H609 L802 Y805 S831 D832 C837 F838L605-L834 HydrophobicContact CD2-CD1 4.13Å; L605-L834 HydrophobicContact CD2-CD2 4.33Å; A608-L834 HydrophobicContact CB-CD1 3.85Å; H609-L834 HydrophobicContact CB-CB 4.27Å; L802-L834 HydrophobicContact CD2-CD2 4.16Å; Y805-L834 HydrophobicContact CD1-CB 4.23Å; Y805-L834 HydrophobicContact CD1-CD2 3.94Å; Y805-L834 HydrophobicContact CD2-CD2 3.85Å; Y805-L834 HydrophobicContact CE2-CD2 4.5Å; Y805-L834 HydrophobicContact CG-CD2 3.52Å; S831-L834 PolarHBondContact O-N 3.21Å; S831-L834 VanDerWaalsContact O-N 3.12Å; D832-L834 VanDerWaalsContact C-N 3.3Å; D832-L834 PolarHBondContact O-N 3.21Å; L834-C837 PolarHBondContact O-N 3.45Å; L834-F838 HydrophobicContact CD1-CD2 4.06Å; L834-F838 HydrophobicContact CD1-CE2 3.57Å; L834-F838 HydrophobicContact CD1-CZ 4.41Å; L834-F838 HydrophobicContact CD2-CE2 3.97Å; L834-F838 HydrophobicContact CG-CD2 3.8Å; L834-F838 HydrophobicContact CG-CE2 3.56Å; L834-F838 WeakPolarHBondContact O-CD2 3.34Å; L834-F838 PolarHBondContact O-N 2.97Å
835T78.8Confident64Low11 Ų1137.9 Ų37.97%0.06723%0.226CC..Hα-helixtrans-61.6-44.5177.653.40000111.1S831 D832 C837 F838 Q839 V918S831-T835 PolarHBondContact O-N 2.98Å; S831-T835 PolarHBondContact O-OG1 3.16Å; D832-T835 WeakPolarHBondContact CA-OG1 3.4Å; D832-T835 PolarHBondContact O-N 3.4Å; D832-T835 PolarHBondContact O-OG1 3.48Å; T835-C837 PolarHBondContact O-N 3.39Å; T835-F838 PolarHBondContact O-N 3.27Å; T835-Q839 VanDerWaalsContact O-CG 3.32Å; T835-Q839 WeakPolarHBondContact O-CG 3.16Å; T835-Q839 PolarHBondContact O-N 3.29Å; T835-V918 HydrophobicContact CG2-CG2 3.9Å
836H78.8Confident65.4Low30 Ų3035.2 Ų35.214%0.13921%0.208CC..Hα-helixtrans-60.5-44.5177.1-170.4-90.3000111.9G612 T615 S616 D619 D832 F838 Q839 L840G612-H836 PolarHBondContact O-ND1 2.81Å; T615-H836 PolarHBondContact OG1-CE1 2.8Å; T615-H836 VanDerWaalsContact OG1-CE1 3.29Å; T615-H836 PolarHBondContact OG1-ND1 3.16Å; S616-H836 PolarHBondContact N-CE1 3.3Å; D619-H836 IonicContact OD2-CE1 3.64Å; D619-H836 PolarHBondContact OD2-CE1 3.46Å; D619-H836 IonicContact OD2-NE2 3.3Å; D619-H836 PolarHBondContact OD2-NE2 2.96Å; D832-H836 WeakPolarHBondContact O-CB 3.31Å; D832-H836 PolarHBondContact O-N 3.19Å; H836-F838 VanDerWaalsContact C-N 3.35Å; H836-F838 PolarHBondContact O-N 3.29Å; H836-Q839 PolarHBondContact O-N 2.94Å; H836-L840 WeakPolarHBondContact CE1-CD1 3.33Å; H836-L840 PolarHBondContact O-N 3.04Å; H836-L840 VanDerWaalsContact O-N 3.1Å
837C84.3Confident66.9Low1 Ų139.4 Ų39.41%0.00721%0.213CC..Hα-helixtrans-57.2-48.4174.4-167.90000111.1A608 I742 G833 L834 T835 L840 G841A608-C837 WeakPolarHBondContact O-CB 3.19Å; A608-C837 PolarHBondContact O-SG 2.87Å; A608-C837 VanDerWaalsContact O-SG 3.4Å; I742-C837 WeakPolarHBondContact CD1-O 3.03Å; G833-C837 WeakPolarHBondContact O-CB 3.33Å; G833-C837 PolarHBondContact O-N 3.47Å; L834-C837 PolarHBondContact O-N 3.45Å; T835-C837 PolarHBondContact O-N 3.39Å; C837-L840 PolarHBondContact O-N 3.38Å; C837-G841 PolarHBondContact O-N 3.28Å
838F83.7Confident67.9Low1 Ų138.9 Ų38.90%0.00421%0.214CC..Hα-helixtrans-62-44.9179.2-82.9-63.3000113.4L605 I742 L834 T835 H836 L840 G841 D842 I846 V918 W921L605-F838 HydrophobicContact CD2-CZ 4.32Å; I742-F838 HydrophobicContact CD1-CD1 3.88Å; I742-F838 HydrophobicContact CG1-CD1 4.26Å; L834-F838 HydrophobicContact CD1-CD2 4.06Å; L834-F838 HydrophobicContact CD1-CE2 3.57Å; L834-F838 HydrophobicContact CD1-CZ 4.41Å; L834-F838 HydrophobicContact CD2-CE2 3.97Å; L834-F838 HydrophobicContact CG-CD2 3.8Å; L834-F838 HydrophobicContact CG-CE2 3.56Å; L834-F838 WeakPolarHBondContact O-CD2 3.34Å; L834-F838 PolarHBondContact O-N 2.97Å; T835-F838 PolarHBondContact O-N 3.27Å; H836-F838 VanDerWaalsContact C-N 3.35Å; H836-F838 PolarHBondContact O-N 3.29Å; F838-L840 PolarHBondContact O-N 3.49Å; F838-G841 PolarHBondContact O-N 3.01Å; F838-D842 PolarHBondContact O-N 3.46Å; F838-I846 WeakPolarHBondContact O-CD1 3.32Å; F838-V918 HydrophobicContact CD2-CG2 3.82Å; F838-V918 HydrophobicContact CE2-CG1 4.47Å; F838-V918 HydrophobicContact CE2-CG2 4.32Å; F838-W921 HydrophobicContact CD1-CB 3.9Å; F838-W921 AromaticContact CD1-CD1 3.63Å; F838-W921 AromaticContact CD1-CD2 3.93Å; F838-W921 HydrophobicContact CD1-CD2 3.93Å; F838-W921 AromaticContact CD1-CG 3.53Å; F838-W921 HydrophobicContact CD1-CG 3.53Å; F838-W921 HydrophobicContact CE1-CB 4.16Å; F838-W921 AromaticContact CE1-CD1 3.65Å; F838-W921 AromaticContact CE1-CD2 3.28Å; F838-W921 HydrophobicContact CE1-CD2 3.28Å; F838-W921 AromaticContact CE1-CE2 3.46Å; F838-W921 VanDerWaalsContact CE1-CE2 3.46Å; F838-W921 AromaticContact CE1-CE3 3.77Å; F838-W921 HydrophobicContact CE1-CE3 3.77Å; F838-W921 AromaticContact CE1-CG 3.44Å; F838-W921 HydrophobicContact CE1-CG 3.44Å; F838-W921 VanDerWaalsContact CE1-CG 3.44Å; F838-W921 HydrophobicContact CE1-CH2 4.47Å; F838-W921 HydrophobicContact CE1-CZ2 4.07Å; F838-W921 HydrophobicContact CE1-CZ3 4.34Å; F838-W921 AromaticContact CE1-NE1 3.64Å; F838-W921 AromaticContact CZ-CD2 3.94Å; F838-W921 HydrophobicContact CZ-CD2 3.94Å; F838-W921 AromaticContact CZ-CE3 3.93Å; F838-W921 HydrophobicContact CZ-CE3 3.93Å; F838-W921 HydrophobicContact CZ-CG 4.39Å; F838-W921 HydrophobicContact CZ-CZ3 4.25Å
839Q79.9Confident68.9Low65 Ų6534.1 Ų34.130%0.30418%0.183SC..Hα-helixtrans-59.2-46.5178.7-73.7174.2-4.500111.9T835 H836 S843T835-Q839 VanDerWaalsContact O-CG 3.32Å; T835-Q839 WeakPolarHBondContact O-CG 3.16Å; T835-Q839 PolarHBondContact O-N 3.29Å; H836-Q839 PolarHBondContact O-N 2.94Å; Q839-S843 WeakPolarHBondContact O-CA 2.93Å; Q839-S843 PolarHBondContact O-N 2.97Å
840L77.8Confident69.2Low26 Ų2636.4 Ų36.414%0.13620%0.195CC..Hα-helixtrans-75.7-32.7-177.9-72.1-178.1000113.7C738 H836 C837 F838C738-L840 HydrophobicContact CB-CB 3.77Å; H836-L840 WeakPolarHBondContact CE1-CD1 3.33Å; H836-L840 PolarHBondContact O-N 3.04Å; H836-L840 VanDerWaalsContact O-N 3.1Å; C837-L840 PolarHBondContact O-N 3.38Å; F838-L840 PolarHBondContact O-N 3.49Å
841G74.9Confident69.5Low7 Ų737 Ų377%0.07220%0.196CC..Hα-helixtrans-85.2-24.1-173.600000115.3R739 I742 C837 F838R739-G841 WeakPolarHBondContact CG-O 3.18Å; I742-G841 VanDerWaalsContact CD1-C 3.5Å; C837-G841 PolarHBondContact O-N 3.28Å; F838-G841 PolarHBondContact O-N 3.01Å
842D73.6Confident69.2Low24 Ų2443 Ų4313%0.12822%0.223CC..SBendtrans-131.936.1179.1-98.2-24.7000111.6I742 R746 F838 D844 V845 I846 W921I742-D842 HydrophobicContact CD1-CB 4.29Å; I742-D842 WeakPolarHBondContact CG2-OD2 3.41Å; R746-D842 IonicContact CZ-OD2 3.07Å; R746-D842 IonicContact NH2-OD1 2.81Å; R746-D842 PolarHBondContact NH2-OD1 3.24Å; R746-D842 IonicContact NH2-OD2 2.65Å; R746-D842 PolarHBondContact NH2-OD2 3.04Å; F838-D842 PolarHBondContact O-N 3.46Å; D842-D844 VanDerWaalsContact C-N 3.27Å; D842-D844 PolarHBondContact O-N 2.93Å; D842-D844 VanDerWaalsContact O-N 3.13Å; D842-V845 HydrophobicContact CB-CB 4.33Å; D842-V845 HydrophobicContact CB-CG2 4.41Å; D842-V845 WeakPolarHBondContact O-CB 3.46Å; D842-V845 PolarHBondContact O-N 2.93Å; D842-I846 PolarHBondContact O-N 3.26Å; D842-I846 VanDerWaalsContact O-N 3.11Å; D842-W921 VanDerWaalsContact OD2-CD1 3.28Å; D842-W921 PolarHBondContact OD2-NE1 3.48Å
843S61.8Low68.4Low32 Ų3244.9 Ų44.922%0.22423%0.23CC..Hα-helixtrans-42.5-50.6179.6176.30000112.7Q839 V845 I846 Y847Q839-S843 WeakPolarHBondContact O-CA 2.93Å; Q839-S843 PolarHBondContact O-N 2.97Å; S843-V845 VanDerWaalsContact C-N 3.29Å; S843-V845 PolarHBondContact O-N 3.38Å; S843-I846 PolarHBondContact O-N 2.82Å; S843-I846 VanDerWaalsContact O-N 3.16Å; S843-Y847 WeakPolarHBondContact O-CB 3.42Å; S843-Y847 WeakPolarHBondContact O-CD2 3.4Å; S843-Y847 PolarHBondContact O-N 3.49Å; S843-Y847 VanDerWaalsContact OG-CD2 3.28Å; S843-Y847 WeakPolarHBondContact OG-CD2 3.48Å; S843-Y847 VanDerWaalsContact OG-CE2 3.26Å; S843-Y847 WeakPolarHBondContact OG-CE2 2.99Å
844D62.9Low67Low128 Ų12850.1 Ų50.168%0.68426%0.256SS*.Hα-helixtrans-61.6-34.7-176.6-59-21.1000113.4D842 S848D842-D844 VanDerWaalsContact C-N 3.27Å; D842-D844 PolarHBondContact O-N 2.93Å; D842-D844 VanDerWaalsContact O-N 3.13Å; D844-S848 WeakPolarHBondContact O-CB 3.22Å; D844-S848 PolarHBondContact O-N 3.36Å; D844-S848 VanDerWaalsContact O-N 3.14Å; D844-S848 PolarHBondContact O-OG 2.86Å
845V62.6Low65Low28 Ų2854.5 Ų54.517%0.1728%0.28CS..Hα-helixtrans-71.6-45.3177.1175.90000110.1D842 S843 S848 M849 N924D842-V845 HydrophobicContact CB-CB 4.33Å; D842-V845 HydrophobicContact CB-CG2 4.41Å; D842-V845 WeakPolarHBondContact O-CB 3.46Å; D842-V845 PolarHBondContact O-N 2.93Å; S843-V845 VanDerWaalsContact C-N 3.29Å; S843-V845 PolarHBondContact O-N 3.38Å; V845-S848 PolarHBondContact O-N 3.21Å; V845-S848 PolarHBondContact O-OG 3.46Å; V845-M849 HydrophobicContact CG1-SD 4.37Å; V845-M849 WeakPolarHBondContact O-CG 3.39Å; V845-M849 PolarHBondContact O-N 2.96Å; V845-N924 HydrophobicContact CG1-CB 3.74Å; V845-N924 VanDerWaalsContact CG1-CG 3.44Å; V845-N924 WeakPolarHBondContact CG1-ND2 3.29Å
846I60.6Low63.3Low13 Ų1358.6 Ų58.67%0.06730%0.301CS..Hα-helixtrans-67.7-44.3-177-65.3167.5000109.9F838 D842 S843 S848 M849 I850F838-I846 WeakPolarHBondContact O-CD1 3.32Å; D842-I846 PolarHBondContact O-N 3.26Å; D842-I846 VanDerWaalsContact O-N 3.11Å; S843-I846 PolarHBondContact O-N 2.82Å; S843-I846 VanDerWaalsContact O-N 3.16Å; I846-S848 PolarHBondContact O-N 3.32Å; I846-M849 PolarHBondContact O-N 3.1Å; I846-I850 HydrophobicContact CG2-CD1 3.53Å; I846-I850 HydrophobicContact CG2-CG1 4.27Å; I846-I850 WeakPolarHBondContact O-CB 3.35Å; I846-I850 VanDerWaalsContact O-CG1 3.23Å; I846-I850 WeakPolarHBondContact O-CG1 3.4Å; I846-I850 PolarHBondContact O-N 2.93Å
847Y59.1Low61.4Low169 Ų16962.6 Ų62.666%0.66332%0.32SS*.Hα-helixtrans-61-41.6175-85.5-75.6000112.6S843 S851S843-Y847 WeakPolarHBondContact O-CB 3.42Å; S843-Y847 WeakPolarHBondContact O-CD2 3.4Å; S843-Y847 PolarHBondContact O-N 3.49Å; S843-Y847 VanDerWaalsContact OG-CD2 3.28Å; S843-Y847 WeakPolarHBondContact OG-CD2 3.48Å; S843-Y847 VanDerWaalsContact OG-CE2 3.26Å; S843-Y847 WeakPolarHBondContact OG-CE2 2.99Å; Y847-S851 VanDerWaalsContact O-CB 3.29Å; Y847-S851 WeakPolarHBondContact O-CB 3.34Å; Y847-S851 PolarHBondContact O-N 3.01Å; Y847-S851 PolarHBondContact O-OG 2.86Å
848S59.6Low59.1Low53 Ų5365.4 Ų65.437%0.37134%0.339SS..Hα-helixtrans-67.1-40.8177.658.80000112.4D844 V845 I846 S851 H852D844-S848 WeakPolarHBondContact O-CB 3.22Å; D844-S848 PolarHBondContact O-N 3.36Å; D844-S848 VanDerWaalsContact O-N 3.14Å; D844-S848 PolarHBondContact O-OG 2.86Å; V845-S848 PolarHBondContact O-N 3.21Å; V845-S848 PolarHBondContact O-OG 3.46Å; I846-S848 PolarHBondContact O-N 3.32Å; S848-S851 WeakPolarHBondContact CA-OG 3.4Å; S848-S851 PolarHBondContact O-OG 3.4Å; S848-H852 WeakPolarHBondContact O-CB 3.2Å; S848-H852 PolarHBondContact O-CD2 3.47Å; S848-H852 VanDerWaalsContact O-CD2 3.26Å; S848-H852 PolarHBondContact O-N 3.47Å
849M57.6Low56.9Low33 Ų3373 Ų7316%0.16337%0.372CS..Hα-helixtrans-70-38.6177.5-72.7-169.2165.100113.2V845 I846 K853 C920 N924V845-M849 HydrophobicContact CG1-SD 4.37Å; V845-M849 WeakPolarHBondContact O-CG 3.39Å; V845-M849 PolarHBondContact O-N 2.96Å; I846-M849 PolarHBondContact O-N 3.1Å; M849-K853 PolarHBondContact O-N 3Å; M849-K853 VanDerWaalsContact O-N 3.1Å; M849-C920 HydrophobicContact CB-CB 4.45Å; M849-C920 HydrophobicContact SD-CB 3.94Å; M849-C920 VanDerWaalsContact SD-O 3.35Å; M849-N924 HydrophobicContact CE-CB 3.52Å; M849-N924 HydrophobicContact SD-CB 4.23Å
850I57.9Low54.9Low54 Ų5478.2 Ų78.228%0.27740%0.396SS..Hα-helixtrans-66.9-45175.7-67.6171.8000110.2I846 H852 K853 I854I846-I850 HydrophobicContact CG2-CD1 3.53Å; I846-I850 HydrophobicContact CG2-CG1 4.27Å; I846-I850 WeakPolarHBondContact O-CB 3.35Å; I846-I850 VanDerWaalsContact O-CG1 3.23Å; I846-I850 WeakPolarHBondContact O-CG1 3.4Å; I846-I850 PolarHBondContact O-N 2.93Å; I850-H852 PolarHBondContact O-N 3.21Å; I850-K853 PolarHBondContact O-N 3.22Å; I850-I854 HydrophobicContact CG2-CD1 3.76Å; I850-I854 HydrophobicContact CG2-CG1 4.44Å; I850-I854 VanDerWaalsContact O-CG1 3.3Å; I850-I854 WeakPolarHBondContact O-CG1 3.5Å; I850-I854 PolarHBondContact O-N 2.98Å
851S56.9Low52.9Low55 Ų5585.2 Ų85.239%0.38543%0.428SS..Hα-helixtrans-65.2-35.917857.40000113.2Y847 S848 I854 N855Y847-S851 VanDerWaalsContact O-CB 3.29Å; Y847-S851 WeakPolarHBondContact O-CB 3.34Å; Y847-S851 PolarHBondContact O-N 3.01Å; Y847-S851 PolarHBondContact O-OG 2.86Å; S848-S851 WeakPolarHBondContact CA-OG 3.4Å; S848-S851 PolarHBondContact O-OG 3.4Å; S851-I854 PolarHBondContact O-N 2.93Å; S851-N855 PolarHBondContact O-N 2.81Å; S851-N855 VanDerWaalsContact O-N 3.09Å
852H53.3Low50.9Low127 Ų12792.6 Ų92.659%0.58846%0.461SS*.Hα-helixtrans-65-42.5172.7-91.1-72000112.4S848 I850 I854 N855 D856S848-H852 WeakPolarHBondContact O-CB 3.2Å; S848-H852 PolarHBondContact O-CD2 3.47Å; S848-H852 VanDerWaalsContact O-CD2 3.26Å; S848-H852 PolarHBondContact O-N 3.47Å; I850-H852 PolarHBondContact O-N 3.21Å; H852-I854 PolarHBondContact O-N 3.27Å; H852-N855 PolarHBondContact O-N 3.04Å; H852-D856 PolarHBondContact O-N 3.24Å; H852-D856 VanDerWaalsContact O-N 3.1Å
853K52.8Low48.9Very low85 Ų85100 Ų10037%0.3750%0.495SS..Hα-helixtrans-65-38.1175.9-79.9178.7175.1165.60112.6M849 I850 N855 D856 H857 E923M849-K853 PolarHBondContact O-N 3Å; M849-K853 VanDerWaalsContact O-N 3.1Å; I850-K853 PolarHBondContact O-N 3.22Å; K853-N855 VanDerWaalsContact C-N 3.34Å; K853-N855 PolarHBondContact O-N 3.06Å; K853-D856 PolarHBondContact O-N 3.22Å; K853-H857 PolarHBondContact O-CD2 2.88Å; K853-H857 PolarHBondContact O-N 2.76Å; K853-E923 IonicContact NZ-OE2 2.89Å; K853-E923 PolarHBondContact NZ-OE2 2.81Å
854I48Very low47.3Very low109 Ų109107.8 Ų107.856%0.55953%0.528SS*.Hα-helixtrans-64.9-38.5175.5-66.6166.7000111.3I850 S851 H852 H857 S858I850-I854 HydrophobicContact CG2-CD1 3.76Å; I850-I854 HydrophobicContact CG2-CG1 4.44Å; I850-I854 VanDerWaalsContact O-CG1 3.3Å; I850-I854 WeakPolarHBondContact O-CG1 3.5Å; I850-I854 PolarHBondContact O-N 2.98Å; S851-I854 PolarHBondContact O-N 2.93Å; H852-I854 PolarHBondContact O-N 3.27Å; I854-H857 PolarHBondContact O-N 2.97Å; I854-S858 PolarHBondContact O-N 2.85Å
855N40.9Very low45.9Very low94 Ų94107.7 Ų107.750%0.50353%0.534SS..Hα-helixtrans-73.8-26178.8-84.7-21.5000114.4S851 H852 K853 S858 K859S851-N855 PolarHBondContact O-N 2.81Å; S851-N855 VanDerWaalsContact O-N 3.09Å; H852-N855 PolarHBondContact O-N 3.04Å; K853-N855 VanDerWaalsContact C-N 3.34Å; K853-N855 PolarHBondContact O-N 3.06Å; N855-S858 PolarHBondContact O-OG 3.13Å; N855-K859 PolarHBondContact O-N 2.87Å
856D42.7Very low44.2Very low96 Ų96109.8 Ų109.851%0.51356%0.561SS.*Hα-helixtrans-76.3-31.5173.5-74.7-20000111.8H852 K853 K859 H860H852-D856 PolarHBondContact O-N 3.24Å; H852-D856 VanDerWaalsContact O-N 3.1Å; K853-D856 PolarHBondContact O-N 3.22Å; D856-K859 PolarHBondContact O-N 3.2Å; D856-H860 PolarHBondContact O-N 3.23Å
857H38.2Very low43Very low114 Ų114118.7 Ų118.753%0.52860%0.602SS.*Hα-helixtrans-67.7-35.8171.9-77.2-61.2000113K853 I854 K859 H860K853-H857 PolarHBondContact O-CD2 2.88Å; K853-H857 PolarHBondContact O-N 2.76Å; I854-H857 PolarHBondContact O-N 2.97Å; H857-K859 VanDerWaalsContact C-N 3.33Å; H857-K859 PolarHBondContact O-N 2.88Å; H857-H860 PolarHBondContact O-N 3.33Å
858S37Very low41.6Very low60 Ų60120.3 Ų120.342%0.4262%0.616SS.*Hα-helixtrans-71.9-25.2178.265.80000113.4I854 N855I854-S858 PolarHBondContact O-N 2.85Å; N855-S858 PolarHBondContact O-OG 3.13Å
859K36.9Very low40.3Very low160 Ų160121 Ų12170%0.69663%0.631SS**Hα-helixtrans-81.8-24.3175.6-74.1-178.8179.9175.60114.3N855 D856 H857N855-K859 PolarHBondContact O-N 2.87Å; D856-K859 PolarHBondContact O-N 3.2Å; H857-K859 VanDerWaalsContact C-N 3.33Å; H857-K859 PolarHBondContact O-N 2.88Å
860H37.6Very low39.1Very low175 Ų175128.2 Ų128.281%0.8166%0.662SS**Hα-helixtrans-89.7-5.5178.9-84.2-50.1000115.3D856 H857D856-H860 PolarHBondContact O-N 3.23Å; H857-H860 PolarHBondContact O-N 3.33Å
861Q36.7Very low37.9Very low173 Ų173133 Ų13381%0.80868%0.683SS**SBendtrans-108.77.8176.6-76.5-176.62.800115.2
862Q32.7Very low36.6Very low162 Ų162139 Ų13976%0.75771%0.705SS**SBendtrans-124.926.5-176-84.9-169.7-2.300116.6
863H31.3Very low35.4Very low181 Ų181137.5 Ų137.584%0.83871%0.714SS**  trans-138.784.5166.7-88.2-6000112.8
864Q27.3Very low34.4Very low195 Ų195138.3 Ų138.391%0.91173%0.731SS**  trans-140.6105.7149.6-84.3-172-1.700108.5
865P33.9Very low33.5Very low125 Ų125137.9 Ų137.981%0.81274%0.738SS**  trans-93.1127.3156.919.9-3.6000108.8
866G27.9Very low33Very low72 Ų72138.4 Ų138.474%0.74275%0.745SS**  trans-68.6162.4-175.800000114.6
867E34.5Very low32.4Very low201 Ų201141.9 Ų141.994%0.93976%0.758SS**  trans-164.7129133.3-107.8173.7-169.300109.3
868E29.9Very low31.9Very low202 Ų202142 Ų14294%0.94477%0.766SS**  trans-80149.2-176.3-59173.4145.200111.5
869G31.5Very low31.6Very low67 Ų67148 Ų14869%0.69179%0.785SS**  trans161.196160.200000115.8
870K32.5Very low31Very low186 Ų186146.2 Ų146.281%0.80979%0.788SS**  41130.8128.2-64.2179.6-179.5-173.80117.5
871E32.6Very low30.7Very low155 Ų155143.6 Ų143.672%0.72478%0.784SS**  cis-178.313332-110.5158-160.500107.7
872Q30Very low30.4Very low179 Ų179142 Ų14284%0.83678%0.781SS**  trans39.3131.9132.9-66.5-178.3-5.900124
873A29.6Very low30.1Very low96 Ų96141.9 Ų141.979%0.79378%0.783SS**  trans70.1133.9137.600000117.5
874S30.3Very low30Very low102 Ų102138.2 Ų138.271%0.71378%0.777SS**  cis-179.615131.537.70000109.6
875S29.3Very low29.9Very low101 Ų101134.7 Ų134.771%0.70677%0.769SS**  trans56.6139.3143.867.50000119.3
876T31.1Very low29.5Very low105 Ų105134.6 Ų134.664%0.64477%0.772SS**  cis179.8143.238.9-19.90000108.3
877Q30.4Very low29.6Very low169 Ų169136.5 Ų136.579%0.7977%0.774SS**  trans48.9133.2136.1-75.3172.69.400119.8
878T27.6Very low29.2Very low116 Ų116133.3 Ų133.371%0.71277%0.768SS**  cis169.6163.941.819.10000111.3
879K29.3Very low28.9Very low186 Ų186135.4 Ų135.481%0.80977%0.767SS**  trans91.7100.8162.2-66.1173.3-178.4177.10116.4
880T25.4Very low28.8Very low123 Ų123142.7 Ų142.776%0.75578%0.78SS**  65.7132.150.272.70000116.9
881T30.8Very low28.8Very low120 Ų120144.4 Ų144.474%0.73678%0.781SS**  trans113.1129.7161.564.80000114.1
882N30.5Very low28.7Very low139 Ų139146 Ų14674%0.74379%0.788SS**  cis-167.7137.63.1-97.1-18.3000110.6
883M25.8Very low28.8Very low160 Ų160144.8 Ų144.879%0.78879%0.787SS**  trans40.8126130.9-63.9-106.679.600123.3
884S29.1Very low29.2Very low104 Ų104144.3 Ų144.373%0.72778%0.778SS**  160.598.2121.156.70000110.9
885T25.3Very low29.6Very low121 Ų121141.5 Ų141.574%0.74276%0.759SS**  77.9133.794.454.50000117.8
886S27.1Very low30.4Very low123 Ų123140.1 Ų140.186%0.8674%0.743SS**  trans85.5135.8167.180.60000116.3
887S28.7Very low30.9Very low112 Ų112136.6 Ų136.678%0.78372%0.719SS**  cis-163149354.20000110.3
888T25.9Very low31.7Very low134 Ų134131.9 Ų131.982%0.82270%0.699SS**  trans-50.5131.4172.246.10000117.2
889R25.1Very low32.6Very low246 Ų246131.4 Ų131.493%0.92869%0.689SS**  trans150.692.5144.7-89.8-178.7-172.4178.53.6110.9
890K29Very low33.5Very low220 Ų220124.8 Ų124.896%0.95766%0.662SS**  trans-130.6128.6154.6-89.6-173.9175.1-178.40108.8
891R31.9Very low34.5Very low222 Ų222123 Ų12384%0.83864%0.644SS**  trans-80.8149.7-151.6-79.7167.2156.2171.5-8.7114.1L893R891-L893 PolarHBondContact O-N 2.83Å
892Q31.3Very low35.2Very low187 Ų187123.5 Ų123.587%0.87464%0.638SS**THydrogen-bonded Turntrans-63.833.2-180-63.4-178.9-59.800116.9
893L30.8Very low35.7Very low154 Ų154123 Ų12381%0.80663%0.632SS**THydrogen-bonded Turntrans-107-2.9-175.3-72.7161.6000114.4R891R891-L893 PolarHBondContact O-N 2.83Å
894S37.9Very low36.8Very low86 Ų86118.7 Ų118.760%0.60161%0.612SS**SBendtrans-923.6178.673.10000114.5N898S894-N898 PolarHBondContact O-ND2 3.38Å
895S39.2Very low37.4Very low44 Ų44119.9 Ų119.931%0.30861%0.608SS.*Hα-helixtrans-78.2-39.5-175.351.60000113.1F897 N898 Q899S895-F897 PolarHBondContact O-N 3.27Å; S895-N898 PolarHBondContact O-N 2.97Å; S895-Q899 WeakPolarHBondContact O-CB 3.44Å; S895-Q899 WeakPolarHBondContact O-CG 3.49Å; S895-Q899 PolarHBondContact O-N 3.43Å
896N47.1Very low38.2Very low72 Ų72118.9 Ų118.939%0.38560%0.601SS.*Hα-helixtrans-70.2-39.3-165.3-65.717.2000112.6E803 L900E803-N896 PolarHBondContact OE1-ND2 3.04Å; N896-L900 PolarHBondContact O-N 2.93Å; N896-L900 VanDerWaalsContact O-N 3.08Å
897F41Very low38.5Very low30 Ų30119.1 Ų119.113%0.13259%0.593CS.*Hα-helixtrans-72.4-40.1-179.7-157-82.1000112.7P799 S895 L900 K901 Y919 L922 L1025P799-F897 HydrophobicContact CB-CD2 4.47Å; P799-F897 HydrophobicContact CG-CD2 4.29Å; P799-F897 HydrophobicContact CG-CE2 4.45Å; S895-F897 PolarHBondContact O-N 3.27Å; F897-L900 PolarHBondContact O-N 3.34Å; F897-K901 PolarHBondContact O-N 3.41Å; F897-K901 VanDerWaalsContact O-N 3.12Å; F897-Y919 AromaticContact CE1-CE2 3.6Å; F897-Y919 HydrophobicContact CE1-CE2 3.6Å; F897-Y919 HydrophobicContact CE2-CE2 4.34Å; F897-Y919 HydrophobicContact CZ-CD2 4.26Å; F897-Y919 AromaticContact CZ-CE2 3.41Å; F897-Y919 HydrophobicContact CZ-CE2 3.41Å; F897-Y919 VanDerWaalsContact CZ-CE2 3.41Å; F897-L922 HydrophobicContact CE2-CD2 4.2Å; F897-L1025 VanDerWaalsContact CD1-O 3.3Å; F897-L1025 WeakPolarHBondContact CD1-O 3.46Å; F897-L1025 HydrophobicContact CD2-CD2 4.43Å; F897-L1025 VanDerWaalsContact CE1-C 3.45Å; F897-L1025 WeakPolarHBondContact CE1-O 3.36Å; F897-L1025 WeakPolarHBondContact CZ-O 3.26Å
898N46.3Very low38.9Very low71 Ų71121.8 Ų121.838%0.3860%0.599SS.*Hα-helixtrans-72.8-31176.2-75.8-52.4000112.4S894 S895 K901 Q902S894-N898 PolarHBondContact O-ND2 3.38Å; S895-N898 PolarHBondContact O-N 2.97Å; N898-K901 PolarHBondContact O-N 3.33Å; N898-Q902 WeakPolarHBondContact O-CB 3.32Å; N898-Q902 VanDerWaalsContact O-CG 3.27Å; N898-Q902 WeakPolarHBondContact O-CG 3.42Å; N898-Q902 PolarHBondContact O-N 3.26Å
899Q48.1Very low39.4Very low105 Ų105122.2 Ų122.249%0.49160%0.596SS.*Hα-helixtrans-65-41.7171.1-80.3170.5-10.400111.5S895 K901 Q902 M903S895-Q899 WeakPolarHBondContact O-CB 3.44Å; S895-Q899 WeakPolarHBondContact O-CG 3.49Å; S895-Q899 PolarHBondContact O-N 3.43Å; Q899-K901 VanDerWaalsContact C-N 3.33Å; Q899-K901 PolarHBondContact O-N 3.15Å; Q899-Q902 PolarHBondContact O-N 3.42Å; Q899-M903 PolarHBondContact O-N 2.97Å
900L46.7Very low39.6Very low47 Ų47119.3 Ų119.325%0.24660%0.595CS.*Hα-helixtrans-62.8-41.9176.2-137.4113.8000111.6L806 N896 F897 I904 Y919L806-L900 HydrophobicContact CD1-CD1 3.83Å; L806-L900 HydrophobicContact CD1-CD2 4.26Å; N896-L900 PolarHBondContact O-N 2.93Å; N896-L900 VanDerWaalsContact O-N 3.08Å; F897-L900 PolarHBondContact O-N 3.34Å; L900-I904 HydrophobicContact CD2-CD1 4.36Å; L900-I904 WeakPolarHBondContact O-CD1 3.5Å; L900-I904 VanDerWaalsContact O-CG1 3.27Å; L900-I904 WeakPolarHBondContact O-CG1 3.36Å; L900-I904 PolarHBondContact O-N 2.87Å; L900-Y919 HydrophobicContact CD2-CD2 4.16Å
901K47.5Very low40.1Very low85 Ų85113.2 Ų113.237%0.3758%0.58SS.*Hα-helixtrans-66.4-37.3174.5-165.4171.1-178.3172.70112.3F897 N898 Q899 I904 M905F897-K901 PolarHBondContact O-N 3.41Å; F897-K901 VanDerWaalsContact O-N 3.12Å; N898-K901 PolarHBondContact O-N 3.33Å; Q899-K901 VanDerWaalsContact C-N 3.33Å; Q899-K901 PolarHBondContact O-N 3.15Å; K901-I904 PolarHBondContact O-N 3.23Å; K901-M905 VanDerWaalsContact O-CG 3.24Å; K901-M905 WeakPolarHBondContact O-CG 3.28Å; K901-M905 PolarHBondContact O-N 3.33Å
902Q45.7Very low40.6Very low131 Ų131106.3 Ų106.361%0.61257%0.566SS**Hα-helixtrans-73.5-34.5177.8-77.2177.61.800113.2N898 Q899 I904 M905 T906N898-Q902 WeakPolarHBondContact O-CB 3.32Å; N898-Q902 VanDerWaalsContact O-CG 3.27Å; N898-Q902 WeakPolarHBondContact O-CG 3.42Å; N898-Q902 PolarHBondContact O-N 3.26Å; Q899-Q902 PolarHBondContact O-N 3.42Å; Q902-I904 VanDerWaalsContact C-N 3.3Å; Q902-I904 PolarHBondContact O-N 2.99Å; Q902-M905 PolarHBondContact O-N 3.29Å; Q902-T906 PolarHBondContact O-N 3.39Å; Q902-T906 PolarHBondContact O-OG1 3.12Å
903M41.1Very low41.4Very low128 Ų128102 Ų10263%0.63155%0.553SS**Hα-helixtrans-63.1-36.9171.5-86.2176.671.400111.7Q899 M905Q899-M903 PolarHBondContact O-N 2.97Å; M903-M905 VanDerWaalsContact C-N 3.3Å; M903-M905 PolarHBondContact O-N 3.4Å
904I47.6Very low42.4Very low70 Ų7098.1 Ų98.136%0.35953%0.53SS..Hα-helixtrans-73.7-20.8177.5-64.4165.2000112.3L900 K901 Q902 I915L900-I904 HydrophobicContact CD2-CD1 4.36Å; L900-I904 WeakPolarHBondContact O-CD1 3.5Å; L900-I904 VanDerWaalsContact O-CG1 3.27Å; L900-I904 WeakPolarHBondContact O-CG1 3.36Å; L900-I904 PolarHBondContact O-N 2.87Å; K901-I904 PolarHBondContact O-N 3.23Å; Q902-I904 VanDerWaalsContact C-N 3.3Å; Q902-I904 PolarHBondContact O-N 2.99Å; I904-I915 HydrophobicContact CD1-CG2 4.12Å; I904-I915 HydrophobicContact CG1-CG2 4.15Å
905M43Very low43.2Very low129 Ų12996.5 Ų96.564%0.63551%0.514SS*.THydrogen-bonded Turntrans-101.84-173.3-68.9-158.793.500115.5K901 Q902 M903K901-M905 VanDerWaalsContact O-CG 3.24Å; K901-M905 WeakPolarHBondContact O-CG 3.28Å; K901-M905 PolarHBondContact O-N 3.33Å; Q902-M905 PolarHBondContact O-N 3.29Å; M903-M905 VanDerWaalsContact C-N 3.3Å; M903-M905 PolarHBondContact O-N 3.4Å
906T41Very low44.4Very low100 Ų10095.5 Ų95.561%0.61351%0.507SS*.THydrogen-bonded Turntrans-118.7-12.4-171.544.60000117.1Q902Q902-T906 PolarHBondContact O-N 3.39Å; Q902-T906 PolarHBondContact O-OG1 3.12Å
907D33.9Very low45.5Very low129 Ų12992.1 Ų92.169%0.6949%0.489SS*.  trans-120.8103-179.4-77.7-34.3000112.9N909D907-N909 PolarHBondContact O-N 3.42Å
908D36.7Very low47.2Very low168 Ų16890.9 Ų90.990%0.89848%0.484SS*.  trans-75.59.3179.5-78.8-33.1000114.3
909N36.5Very low48.6Very low143 Ų14388.3 Ų88.377%0.76547%0.469SS*.SBendtrans-120.2101.9-172.1-72.5-27.8000112.6D907D907-N909 PolarHBondContact O-N 3.42Å
910M30.2Very low49.9Very low185 Ų18583.3 Ų83.391%0.91145%0.446SS*.SBendtrans48.881.7145.2-125-84.115600117.2
911S37.8Very low51.8Low91 Ų9181.1 Ų81.164%0.63643%0.434SS*.  trans159.85157.149.80000113.8T913S911-T913 VanDerWaalsContact C-N 3.34Å; S911-T913 PolarHBondContact O-N 3.42Å
912S43.8Very low53.5Low77 Ų7777.5 Ų77.554%0.53842%0.419SS..THydrogen-bonded Turntrans-76.90.4-167.156.50000117.6E914S912-E914 PolarHBondContact O-N 2.88Å
913T48.6Very low55.3Low97 Ų9772.6 Ų72.660%0.59540%0.396SS*.Hα-helixtrans-71-26.2-176.822.50000114.3S911S911-T913 VanDerWaalsContact C-N 3.34Å; S911-T913 PolarHBondContact O-N 3.42Å
914E50.7Low57.4Low73 Ų7367.4 Ų67.434%0.34137%0.371SS..Hα-helixtrans-82.3-43.5-169.5-67.5174.4-171.100113M809 S912 S916 S917M809-E914 HydrophobicContact CE-CB 3.96Å; M809-E914 WeakPolarHBondContact CE-OE2 3.48Å; S912-E914 PolarHBondContact O-N 2.88Å; E914-S916 PolarHBondContact O-N 2.96Å; E914-S917 PolarHBondContact O-N 3.49Å; E914-S917 PolarHBondContact O-OG 2.93Å
915I53.9Low59.2Low52 Ų5264.1 Ų64.127%0.26735%0.354SS..Hα-helixtrans-65.9-26.1177.2-56.7172.5000110.9M809 I904 S917M809-I915 HydrophobicContact CE-CG1 4.27Å; I904-I915 HydrophobicContact CD1-CG2 4.12Å; I904-I915 HydrophobicContact CG1-CG2 4.15Å; I915-S917 VanDerWaalsContact C-N 3.29Å; I915-S917 PolarHBondContact O-N 2.75Å
916S64.5Low61.2Low22 Ų2258 Ų5815%0.15432%0.324CS..Hα-helixtrans-65.1-29.9176.4-170.90000113.1E914 C920E914-S916 PolarHBondContact O-N 2.96Å; S916-C920 WeakPolarHBondContact O-CB 3.47Å; S916-C920 PolarHBondContact O-N 2.99Å; S916-C920 PolarHBondContact O-SG 3.4Å
917S71Confident63.2Low1 Ų153.9 Ų53.91%0.00730%0.299CS..Hα-helixtrans-69.1-50.2-170.163.80000113.3E914 I915 Y919 C920 W921E914-S917 PolarHBondContact O-N 3.49Å; E914-S917 PolarHBondContact O-OG 2.93Å; I915-S917 VanDerWaalsContact C-N 3.29Å; I915-S917 PolarHBondContact O-N 2.75Å; S917-Y919 PolarHBondContact O-N 3.24Å; S917-C920 PolarHBondContact O-N 3.35Å; S917-W921 PolarHBondContact O-N 3.08Å
918V77.6Confident65.6Low5 Ų550.6 Ų50.63%0.0328%0.284CS..Hα-helixtrans-64.7-41.1179.4-179.30000110.8L802 L806 T835 F838 W921 L922L802-V918 HydrophobicContact CD1-CG1 4.02Å; L802-V918 HydrophobicContact CD2-CG1 3.99Å; L802-V918 HydrophobicContact CG-CG1 4.43Å; L806-V918 HydrophobicContact CD2-CB 4.3Å; L806-V918 HydrophobicContact CD2-CG1 4.38Å; T835-V918 HydrophobicContact CG2-CG2 3.9Å; F838-V918 HydrophobicContact CD2-CG2 3.82Å; F838-V918 HydrophobicContact CE2-CG1 4.47Å; F838-V918 HydrophobicContact CE2-CG2 4.32Å; V918-W921 PolarHBondContact O-N 3.18Å; V918-L922 PolarHBondContact O-N 3Å
919Y74.6Confident67.8Low16 Ų1644.3 Ų44.36%0.06325%0.25CS..Hα-helixtrans-63.7-48.4176.2-179.5-84.8000111.5F897 L900 S917 W921 L922 E923F897-Y919 AromaticContact CE1-CE2 3.6Å; F897-Y919 HydrophobicContact CE1-CE2 3.6Å; F897-Y919 HydrophobicContact CE2-CE2 4.34Å; F897-Y919 HydrophobicContact CZ-CD2 4.26Å; F897-Y919 AromaticContact CZ-CE2 3.41Å; F897-Y919 HydrophobicContact CZ-CE2 3.41Å; F897-Y919 VanDerWaalsContact CZ-CE2 3.41Å; L900-Y919 HydrophobicContact CD2-CD2 4.16Å; S917-Y919 PolarHBondContact O-N 3.24Å; Y919-W921 VanDerWaalsContact C-N 3.29Å; Y919-W921 PolarHBondContact O-N 3.23Å; Y919-L922 PolarHBondContact O-N 3.07Å; Y919-E923 HydrophobicContact CE1-CB 4.35Å; Y919-E923 VanDerWaalsContact CE1-OE2 3.27Å; Y919-E923 WeakPolarHBondContact CE1-OE2 3.31Å; Y919-E923 WeakPolarHBondContact O-CB 3.29Å; Y919-E923 PolarHBondContact O-N 2.76Å
920C76.7Confident70.3Confident0 Ų037.6 Ų37.60%021%0.214CC..Hα-helixtrans-59.8-40176.7-78.20000111.7M849 S916 S917 E923 N924M849-C920 HydrophobicContact CB-CB 4.45Å; M849-C920 HydrophobicContact SD-CB 3.94Å; M849-C920 VanDerWaalsContact SD-O 3.35Å; S916-C920 WeakPolarHBondContact O-CB 3.47Å; S916-C920 PolarHBondContact O-N 2.99Å; S916-C920 PolarHBondContact O-SG 3.4Å; S917-C920 PolarHBondContact O-N 3.35Å; C920-E923 PolarHBondContact O-N 3.48Å; C920-N924 VanDerWaalsContact O-CB 3.31Å; C920-N924 WeakPolarHBondContact O-CB 3.45Å; C920-N924 PolarHBondContact O-N 3.14Å
921W84.9Confident72.9Confident2 Ų228.8 Ų28.81%0.00817%0.171CC..Hα-helixtrans-63-45175-179.688.8000112.2F601 V745 R746 F838 D842 S917 V918 Y919 N924 L925F601-W921 HydrophobicContact CE2-CH2 4.07Å; F601-W921 HydrophobicContact CZ-CH2 4.15Å; F601-W921 HydrophobicContact CZ-CZ3 4.15Å; V745-W921 HydrophobicContact CG1-CH2 3.85Å; V745-W921 HydrophobicContact CG1-CZ2 3.86Å; R746-W921 HydrophobicContact CB-CZ2 4.48Å; F838-W921 HydrophobicContact CD1-CB 3.9Å; F838-W921 AromaticContact CD1-CD1 3.63Å; F838-W921 AromaticContact CD1-CD2 3.93Å; F838-W921 HydrophobicContact CD1-CD2 3.93Å; F838-W921 AromaticContact CD1-CG 3.53Å; F838-W921 HydrophobicContact CD1-CG 3.53Å; F838-W921 HydrophobicContact CE1-CB 4.16Å; F838-W921 AromaticContact CE1-CD1 3.65Å; F838-W921 AromaticContact CE1-CD2 3.28Å; F838-W921 HydrophobicContact CE1-CD2 3.28Å; F838-W921 AromaticContact CE1-CE2 3.46Å; F838-W921 VanDerWaalsContact CE1-CE2 3.46Å; F838-W921 AromaticContact CE1-CE3 3.77Å; F838-W921 HydrophobicContact CE1-CE3 3.77Å; F838-W921 AromaticContact CE1-CG 3.44Å; F838-W921 HydrophobicContact CE1-CG 3.44Å; F838-W921 VanDerWaalsContact CE1-CG 3.44Å; F838-W921 HydrophobicContact CE1-CH2 4.47Å; F838-W921 HydrophobicContact CE1-CZ2 4.07Å; F838-W921 HydrophobicContact CE1-CZ3 4.34Å; F838-W921 AromaticContact CE1-NE1 3.64Å; F838-W921 AromaticContact CZ-CD2 3.94Å; F838-W921 HydrophobicContact CZ-CD2 3.94Å; F838-W921 AromaticContact CZ-CE3 3.93Å; F838-W921 HydrophobicContact CZ-CE3 3.93Å; F838-W921 HydrophobicContact CZ-CG 4.39Å; F838-W921 HydrophobicContact CZ-CZ3 4.25Å; D842-W921 VanDerWaalsContact OD2-CD1 3.28Å; D842-W921 PolarHBondContact OD2-NE1 3.48Å; S917-W921 PolarHBondContact O-N 3.08Å; V918-W921 PolarHBondContact O-N 3.18Å; Y919-W921 VanDerWaalsContact C-N 3.29Å; Y919-W921 PolarHBondContact O-N 3.23Å; W921-N924 PolarHBondContact O-N 3.46Å; W921-L925 HydrophobicContact CH2-CD1 4.21Å; W921-L925 HydrophobicContact CH2-CD2 3.74Å; W921-L925 HydrophobicContact CH2-CG 4.39Å; W921-L925 HydrophobicContact CZ2-CD1 4.11Å; W921-L925 HydrophobicContact CZ2-CD2 4.44Å; W921-L925 HydrophobicContact CZ3-CD2 3.93Å; W921-L925 WeakPolarHBondContact O-CB 3.3Å; W921-L925 PolarHBondContact O-N 2.89Å
922L84.2Confident75.2Confident9 Ų927.1 Ų27.15%0.04716%0.155CC..Hα-helixtrans-65.5-42.9178.5-174.971.6000111.6L798 P799 L802 F897 V918 Y919 N924 L925 I926L798-L922 HydrophobicContact CB-CD1 4.27Å; P799-L922 HydrophobicContact CG-CD2 4.14Å; L802-L922 HydrophobicContact CD1-CD1 4.15Å; L802-L922 HydrophobicContact CD1-CD2 4.27Å; F897-L922 HydrophobicContact CE2-CD2 4.2Å; V918-L922 PolarHBondContact O-N 3Å; Y919-L922 PolarHBondContact O-N 3.07Å; L922-N924 VanDerWaalsContact C-N 3.31Å; L922-N924 PolarHBondContact O-N 2.76Å; L922-L925 HydrophobicContact CD1-CD2 4.47Å; L922-L925 WeakPolarHBondContact O-CB 3.28Å; L922-L925 PolarHBondContact O-N 2.85Å; L922-I926 HydrophobicContact CD1-CD1 4.14Å; L922-I926 HydrophobicContact CG-CD1 3.97Å; L922-I926 WeakPolarHBondContact O-CG1 3.08Å; L922-I926 PolarHBondContact O-N 3.36Å
923E82.7Confident77.3Confident27 Ų2725.3 Ų25.313%0.12614%0.139CC..Hα-helixtrans-58.3-44.8174-175.4173.7-171.700110.4K853 Y919 C920 I926 S927 V1027K853-E923 IonicContact NZ-OE2 2.89Å; K853-E923 PolarHBondContact NZ-OE2 2.81Å; Y919-E923 HydrophobicContact CE1-CB 4.35Å; Y919-E923 VanDerWaalsContact CE1-OE2 3.27Å; Y919-E923 WeakPolarHBondContact CE1-OE2 3.31Å; Y919-E923 WeakPolarHBondContact O-CB 3.29Å; Y919-E923 PolarHBondContact O-N 2.76Å; C920-E923 PolarHBondContact O-N 3.48Å; E923-I926 PolarHBondContact O-N 3.47Å; E923-S927 WeakPolarHBondContact O-CB 3.37Å; E923-S927 PolarHBondContact O-N 3.26Å; E923-S927 PolarHBondContact O-OG 3.1Å; E923-V1027 HydrophobicContact CG-CG1 4.33Å
924N84.7Confident79Confident19 Ų1920.8 Ų20.810%0.10211%0.111CC..Hα-helixtrans-66.4-41.1176.1-170.240.7000112.8V845 M849 C920 W921 L922 I926 V928 N929V845-N924 HydrophobicContact CG1-CB 3.74Å; V845-N924 VanDerWaalsContact CG1-CG 3.44Å; V845-N924 WeakPolarHBondContact CG1-ND2 3.29Å; M849-N924 HydrophobicContact CE-CB 3.52Å; M849-N924 HydrophobicContact SD-CB 4.23Å; C920-N924 VanDerWaalsContact O-CB 3.31Å; C920-N924 WeakPolarHBondContact O-CB 3.45Å; C920-N924 PolarHBondContact O-N 3.14Å; W921-N924 PolarHBondContact O-N 3.46Å; L922-N924 VanDerWaalsContact C-N 3.31Å; L922-N924 PolarHBondContact O-N 2.76Å; N924-I926 VanDerWaalsContact C-N 3.31Å; N924-I926 PolarHBondContact O-N 3.05Å; N924-V928 WeakPolarHBondContact O-CB 3.48Å; N924-V928 PolarHBondContact O-N 3.47Å; N924-V928 WeakPolarHBondContact OD1-CG2 3.46Å; N924-N929 PolarHBondContact O-N 2.86Å
925L85.8Confident80.7Confident2 Ų217.6 Ų17.61%0.0110%0.097CC..Iπ-helixtrans-56.8-48.4176.1-174.677.7000110.2R746 A749 L750 L798 W921 L922 N929 V930R746-L925 HydrophobicContact CG-CD1 3.87Å; A749-L925 HydrophobicContact CB-CD1 4.38Å; A749-L925 HydrophobicContact CB-CD2 4Å; L750-L925 HydrophobicContact CD2-CD1 4.01Å; L750-L925 HydrophobicContact CG-CD1 4.22Å; L798-L925 HydrophobicContact CD1-CD2 4.15Å; W921-L925 HydrophobicContact CH2-CD1 4.21Å; W921-L925 HydrophobicContact CH2-CD2 3.74Å; W921-L925 HydrophobicContact CH2-CG 4.39Å; W921-L925 HydrophobicContact CZ2-CD1 4.11Å; W921-L925 HydrophobicContact CZ2-CD2 4.44Å; W921-L925 HydrophobicContact CZ3-CD2 3.93Å; W921-L925 WeakPolarHBondContact O-CB 3.3Å; W921-L925 PolarHBondContact O-N 2.89Å; L922-L925 HydrophobicContact CD1-CD2 4.47Å; L922-L925 WeakPolarHBondContact O-CB 3.28Å; L922-L925 PolarHBondContact O-N 2.85Å; L925-N929 WeakPolarHBondContact O-CB 3.42Å; L925-N929 PolarHBondContact O-N 2.86Å; L925-V930 WeakPolarHBondContact O-CG2 3.5Å; L925-V930 PolarHBondContact O-N 3.41Å
926I85.2Confident82.2Confident0 Ų019.4 Ų19.40%011%0.107CC..Iπ-helixtrans-76.6-54.2-175.3-62171.3000111.3L795 L922 E923 N924 V930 C931 L1022 L1025 V1027L795-I926 HydrophobicContact CD2-CG1 4.32Å; L922-I926 HydrophobicContact CD1-CD1 4.14Å; L922-I926 HydrophobicContact CG-CD1 3.97Å; L922-I926 WeakPolarHBondContact O-CG1 3.08Å; L922-I926 PolarHBondContact O-N 3.36Å; E923-I926 PolarHBondContact O-N 3.47Å; N924-I926 VanDerWaalsContact C-N 3.31Å; N924-I926 PolarHBondContact O-N 3.05Å; I926-V930 WeakPolarHBondContact O-CB 3.49Å; I926-C931 PolarHBondContact O-N 2.92Å; I926-C931 PolarHBondContact O-SG 2.99Å; I926-L1022 HydrophobicContact CG2-CD2 3.41Å; I926-L1022 VanDerWaalsContact CG2-CD2 3.41Å; I926-L1025 HydrophobicContact CD1-CD1 4.37Å; I926-V1027 HydrophobicContact CB-CG2 4.41Å; I926-V1027 HydrophobicContact CD1-CG2 4.37Å; I926-V1027 HydrophobicContact CG2-CG1 4.29Å; I926-V1027 HydrophobicContact CG2-CG2 4.27Å
927S83Confident83.1Confident13 Ų1318.8 Ų18.89%0.09110%0.103CC..Iπ-helixtrans-66.2-42.2-174.661.30000112.3E923 C931 P1030E923-S927 WeakPolarHBondContact O-CB 3.37Å; E923-S927 PolarHBondContact O-N 3.26Å; E923-S927 PolarHBondContact O-OG 3.1Å; S927-C931 VanDerWaalsContact O-CB 3.31Å; S927-C931 WeakPolarHBondContact O-CB 3.4Å; S927-P1030 WeakPolarHBondContact O-CG 3.42Å
928V83.7Confident83.7Confident60 Ų6018.9 Ų18.936%0.36410%0.103SC..Iπ-helixtrans-92.8-65.9-177.2-177.50000109.6N924 D932N924-V928 WeakPolarHBondContact O-CB 3.48Å; N924-V928 PolarHBondContact O-N 3.47Å; N924-V928 WeakPolarHBondContact OD1-CG2 3.46Å; V928-D932 WeakPolarHBondContact O-CB 3.37Å; V928-D932 VanDerWaalsContact O-CG 3.25Å; V928-D932 PolarHBondContact O-N 3.48Å
929N84.8Confident83.9Confident37 Ų3719.8 Ų19.820%0.19811%0.108CC..Iπ-helixtrans-70.5-45.4-166.7-60.5-63.8000113.5L750 N924 L925 L933L750-N929 HydrophobicContact CD1-CB 3.93Å; L750-N929 HydrophobicContact CD2-CB 3.84Å; N924-N929 PolarHBondContact O-N 2.86Å; L925-N929 WeakPolarHBondContact O-CB 3.42Å; L925-N929 PolarHBondContact O-N 2.86Å; N929-L933 VanDerWaalsContact O-CG 3.28Å; N929-L933 WeakPolarHBondContact O-CG 3.33Å; N929-L933 PolarHBondContact O-N 3.07Å; N929-L933 VanDerWaalsContact O-N 3.14Å
930V87.2Confident84.2Confident1 Ų124.1 Ų24.11%0.00613%0.129CC..Iπ-helixtrans-71.7-46.6-177.8174.90000111.3L750 I753 L795 L925 I926 D932 L933 I934L750-V930 HydrophobicContact CD2-CG2 3.84Å; I753-V930 HydrophobicContact CD1-CB 4.25Å; I753-V930 HydrophobicContact CD1-CG1 3.89Å; I753-V930 HydrophobicContact CD1-CG2 3.38Å; I753-V930 HydrophobicContact CG2-CG1 4.32Å; L795-V930 HydrophobicContact CD1-CG1 4.13Å; L795-V930 HydrophobicContact CD2-CG1 4.31Å; L795-V930 HydrophobicContact CD2-CG2 4.21Å; L925-V930 WeakPolarHBondContact O-CG2 3.5Å; L925-V930 PolarHBondContact O-N 3.41Å; I926-V930 WeakPolarHBondContact O-CB 3.49Å; V930-D932 PolarHBondContact O-N 3.37Å; V930-L933 WeakPolarHBondContact O-CB 3.03Å; V930-L933 PolarHBondContact O-N 2.98Å; V930-I934 HydrophobicContact CG1-CD1 3.89Å; V930-I934 HydrophobicContact CG1-CG1 4.49Å; V930-I934 WeakPolarHBondContact O-CG1 3.28Å; V930-I934 PolarHBondContact O-N 3.4Å
931C85.9Confident84.2Confident1 Ų124.2 Ų24.21%0.00713%0.129CC..Hα-helixtrans-64.6-39.9179.7-64.40000111.8I926 S927 L933 I934 V935 P1030I926-C931 PolarHBondContact O-N 2.92Å; I926-C931 PolarHBondContact O-SG 2.99Å; S927-C931 VanDerWaalsContact O-CB 3.31Å; S927-C931 WeakPolarHBondContact O-CB 3.4Å; C931-L933 VanDerWaalsContact C-N 3.34Å; C931-L933 PolarHBondContact O-N 3.14Å; C931-I934 PolarHBondContact O-N 3.15Å; C931-V935 VanDerWaalsContact O-CG2 3.29Å; C931-V935 WeakPolarHBondContact O-CG2 3.33Å; C931-V935 PolarHBondContact O-N 3.05Å; C931-P1030 HydrophobicContact CB-CG 3.7Å
932D86.1Confident83.2Confident55 Ų5524.5 Ų24.529%0.29413%0.133SC..Hα-helixtrans-64.6-37.1174.9-78-19.3000112.1V928 V930 V935 N936V928-D932 WeakPolarHBondContact O-CB 3.37Å; V928-D932 VanDerWaalsContact O-CG 3.25Å; V928-D932 PolarHBondContact O-N 3.48Å; V930-D932 PolarHBondContact O-N 3.37Å; D932-V935 PolarHBondContact O-N 3.18Å; D932-N936 VanDerWaalsContact O-CB 3.31Å; D932-N936 WeakPolarHBondContact O-CB 3.42Å; D932-N936 VanDerWaalsContact O-CG 3.24Å; D932-N936 PolarHBondContact O-N 3.01Å; D932-N936 PolarHBondContact O-ND2 3.45Å
933L86.7Confident82.2Confident40 Ų4030.4 Ų30.421%0.20916%0.162CC..Hα-helixtrans-62.7-42.5173.5-77.9173.5000111.9L750 R754 L757 N929 V930 C931 N936 A937L750-L933 HydrophobicContact CB-CD1 4.22Å; L750-L933 HydrophobicContact CD1-CD1 4.43Å; L750-L933 HydrophobicContact CD2-CD1 3.93Å; L750-L933 HydrophobicContact CG-CD1 4.41Å; R754-L933 HydrophobicContact CG-CD1 3.96Å; R754-L933 HydrophobicContact CG-CD2 4.14Å; L757-L933 HydrophobicContact CD1-CB 3.96Å; N929-L933 VanDerWaalsContact O-CG 3.28Å; N929-L933 WeakPolarHBondContact O-CG 3.33Å; N929-L933 PolarHBondContact O-N 3.07Å; N929-L933 VanDerWaalsContact O-N 3.14Å; V930-L933 WeakPolarHBondContact O-CB 3.03Å; V930-L933 PolarHBondContact O-N 2.98Å; C931-L933 VanDerWaalsContact C-N 3.34Å; C931-L933 PolarHBondContact O-N 3.14Å; L933-N936 PolarHBondContact O-N 3.45Å; L933-A937 WeakPolarHBondContact O-CB 3.46Å; L933-A937 PolarHBondContact O-N 3.15Å
934I85.9Confident80.7Confident2 Ų233.6 Ų33.61%0.0118%0.18CC..Hα-helixtrans-65.2-47.5177.5-66.4169.3000110.3L757 I791 V930 C931 N936 A937 I938 L1018L757-I934 HydrophobicContact CD1-CG1 4.01Å; L757-I934 HydrophobicContact CD2-CG1 4.25Å; I791-I934 HydrophobicContact CG2-CD1 4.44Å; V930-I934 HydrophobicContact CG1-CD1 3.89Å; V930-I934 HydrophobicContact CG1-CG1 4.49Å; V930-I934 WeakPolarHBondContact O-CG1 3.28Å; V930-I934 PolarHBondContact O-N 3.4Å; C931-I934 PolarHBondContact O-N 3.15Å; I934-N936 VanDerWaalsContact C-N 3.35Å; I934-N936 PolarHBondContact O-N 3.13Å; I934-A937 PolarHBondContact O-N 3.12Å; I934-I938 HydrophobicContact CG2-CD1 3.68Å; I934-I938 HydrophobicContact CG2-CG1 4.39Å; I934-I938 VanDerWaalsContact O-CG1 3.3Å; I934-I938 WeakPolarHBondContact O-CG1 3.3Å; I934-I938 PolarHBondContact O-N 3.27Å; I934-L1018 HydrophobicContact CD1-CD1 3.95Å; I934-L1018 HydrophobicContact CD1-CD2 3.74Å; I934-L1018 HydrophobicContact CG2-CD2 4.1Å
935V85.3Confident79Confident6 Ų636.8 Ų36.84%0.03619%0.193CC..Hα-helixtrans-56.7-50.1176.2170.90000109.8C931 D932 A937 I938 L939 L1033 L1036 I1058C931-V935 VanDerWaalsContact O-CG2 3.29Å; C931-V935 WeakPolarHBondContact O-CG2 3.33Å; C931-V935 PolarHBondContact O-N 3.05Å; D932-V935 PolarHBondContact O-N 3.18Å; V935-A937 VanDerWaalsContact C-N 3.33Å; V935-A937 PolarHBondContact O-N 3.32Å; V935-I938 PolarHBondContact O-N 3.28Å; V935-L939 HydrophobicContact CG1-CD1 3.83Å; V935-L939 HydrophobicContact CG1-CG 4.21Å; V935-L939 WeakPolarHBondContact O-CG 3.21Å; V935-L939 PolarHBondContact O-N 2.98Å; V935-L1033 HydrophobicContact CG2-CB 4.35Å; V935-L1033 HydrophobicContact CG2-CD1 3.77Å; V935-L1036 HydrophobicContact CG2-CD2 4.28Å; V935-I1058 HydrophobicContact CG1-CD1 4.43Å
936N85.5Confident76.8Confident89 Ų8941.9 Ų41.948%0.47623%0.228SC..Hα-helixtrans-61.8-37.7178.9-74.4-47.5000113.2D932 L933 I934 Q940D932-N936 VanDerWaalsContact O-CB 3.31Å; D932-N936 WeakPolarHBondContact O-CB 3.42Å; D932-N936 VanDerWaalsContact O-CG 3.24Å; D932-N936 PolarHBondContact O-N 3.01Å; D932-N936 PolarHBondContact O-ND2 3.45Å; L933-N936 PolarHBondContact O-N 3.45Å; I934-N936 VanDerWaalsContact C-N 3.35Å; I934-N936 PolarHBondContact O-N 3.13Å; N936-Q940 WeakPolarHBondContact O-CG 3.33Å; N936-Q940 PolarHBondContact O-N 3.23Å
937A84.3Confident74.4Confident10 Ų1047.7 Ų47.78%0.08326%0.263CS..Hα-helixtrans-67.6-39176.400000112.1L757 L933 I934 V935 Q940L757-A937 HydrophobicContact CB-CB 3.98Å; L757-A937 HydrophobicContact CD1-CB 4.11Å; L757-A937 HydrophobicContact CD2-CB 3.97Å; L757-A937 HydrophobicContact CG-CB 4.24Å; L933-A937 WeakPolarHBondContact O-CB 3.46Å; L933-A937 PolarHBondContact O-N 3.15Å; I934-A937 PolarHBondContact O-N 3.12Å; V935-A937 VanDerWaalsContact C-N 3.33Å; V935-A937 PolarHBondContact O-N 3.32Å; A937-Q940 PolarHBondContact O-N 3.11Å
938I83.1Confident72.1Confident2 Ų251.3 Ų51.31%0.0129%0.285CS..Hα-helixtrans-67.3-42.8176.1-66.9166.9000110.4I934 V935 Q940 I941 L1011 L1015 L1036 F1065I934-I938 HydrophobicContact CG2-CD1 3.68Å; I934-I938 HydrophobicContact CG2-CG1 4.39Å; I934-I938 VanDerWaalsContact O-CG1 3.3Å; I934-I938 WeakPolarHBondContact O-CG1 3.3Å; I934-I938 PolarHBondContact O-N 3.27Å; V935-I938 PolarHBondContact O-N 3.28Å; I938-Q940 PolarHBondContact O-N 3.04Å; I938-Q940 VanDerWaalsContact O-N 3.09Å; I938-I941 HydrophobicContact CB-CD1 4.36Å; I938-I941 HydrophobicContact CG2-CD1 4.01Å; I938-I941 WeakPolarHBondContact O-CB 3.14Å; I938-I941 WeakPolarHBondContact O-CD1 3.48Å; I938-I941 VanDerWaalsContact O-CG1 3.22Å; I938-I941 WeakPolarHBondContact O-CG1 3.4Å; I938-I941 PolarHBondContact O-N 3.29Å; I938-I941 VanDerWaalsContact O-N 3.09Å; I938-L1011 HydrophobicContact CD1-CD1 4.07Å; I938-L1011 HydrophobicContact CG1-CD1 4.12Å; I938-L1011 HydrophobicContact CG2-CD1 4.04Å; I938-L1011 HydrophobicContact CG2-CD2 3.9Å; I938-L1015 HydrophobicContact CD1-CD2 3.9Å; I938-L1036 HydrophobicContact CB-CD2 4.31Å; I938-L1036 HydrophobicContact CD1-CD2 3.92Å; I938-L1036 HydrophobicContact CG2-CD1 4.49Å; I938-L1036 HydrophobicContact CG2-CD2 4.04Å; I938-F1065 HydrophobicContact CG2-CE2 4.31Å; I938-F1065 VanDerWaalsContact O-CZ 3.23Å; I938-F1065 WeakPolarHBondContact O-CZ 3.16Å
939L82Confident69.7Low24 Ų2455.4 Ų55.413%0.12631%0.305CS..Hα-helixtrans-60.7-19.6178.5-66.9173.2000113.4V935 L1036 I1058 A1061V935-L939 HydrophobicContact CG1-CD1 3.83Å; V935-L939 HydrophobicContact CG1-CG 4.21Å; V935-L939 WeakPolarHBondContact O-CG 3.21Å; V935-L939 PolarHBondContact O-N 2.98Å; L939-L1036 HydrophobicContact CD2-CD1 4.36Å; L939-I1058 HydrophobicContact CD1-CG1 4.4Å; L939-I1058 HydrophobicContact CD2-CG1 4.39Å; L939-A1061 HydrophobicContact CB-CB 4.44Å; L939-A1061 HydrophobicContact CD2-CB 3.29Å; L939-A1061 HydrophobicContact CG-CB 4.43Å
940Q80Confident67.1Low107 Ų10759.3 Ų59.350%0.534%0.335SS..THydrogen-bonded Turntrans-88.1-5.9178.1-72.5-1746.800114.7P761 N936 A937 I938 G942 M943P761-Q940 HydrophobicContact CB-CB 4.19Å; P761-Q940 HydrophobicContact CG-CB 3.99Å; N936-Q940 WeakPolarHBondContact O-CG 3.33Å; N936-Q940 PolarHBondContact O-N 3.23Å; A937-Q940 PolarHBondContact O-N 3.11Å; I938-Q940 PolarHBondContact O-N 3.04Å; I938-Q940 VanDerWaalsContact O-N 3.09Å; Q940-G942 PolarHBondContact O-N 3.39Å; Q940-M943 PolarHBondContact O-N 3.2Å
941I78.1Confident64.3Low3 Ų363.7 Ų63.72%0.01537%0.366CS..THydrogen-bonded Turntrans-57.6128.3-179.4-64.6166.8000110W766 F767 I938 M943 L1003 F1065W766-I941 HydrophobicContact CB-CG2 4.01Å; W766-I941 VanDerWaalsContact CD1-CG2 3.42Å; W766-I941 HydrophobicContact CD2-CD1 4.2Å; W766-I941 HydrophobicContact CD2-CG2 4.35Å; W766-I941 HydrophobicContact CG-CG2 3.67Å; W766-I941 HydrophobicContact CZ2-CD1 4Å; F767-I941 HydrophobicContact CZ-CG2 4.32Å; I938-I941 HydrophobicContact CB-CD1 4.36Å; I938-I941 HydrophobicContact CG2-CD1 4.01Å; I938-I941 WeakPolarHBondContact O-CB 3.14Å; I938-I941 WeakPolarHBondContact O-CD1 3.48Å; I938-I941 VanDerWaalsContact O-CG1 3.22Å; I938-I941 WeakPolarHBondContact O-CG1 3.4Å; I938-I941 PolarHBondContact O-N 3.29Å; I938-I941 VanDerWaalsContact O-N 3.09Å; I941-M943 VanDerWaalsContact C-N 3.28Å; I941-M943 PolarHBondContact O-N 3.12Å; I941-L1003 HydrophobicContact CG2-CD1 3.56Å; I941-F1065 HydrophobicContact CB-CE1 4.13Å; I941-F1065 HydrophobicContact CB-CZ 4.17Å; I941-F1065 VanDerWaalsContact O-CE1 3.32Å; I941-F1065 WeakPolarHBondContact O-CE1 3.1Å
942G63.4Low61.7Low7 Ų770 Ų707%0.07240%0.404CS..THydrogen-bonded Turntrans79.1-7.9175.100000116.9Q940 N944 K945Q940-G942 PolarHBondContact O-N 3.39Å; G942-N944 PolarHBondContact O-N 3.47Å; G942-K945 PolarHBondContact O-N 3.04Å
943M62.1Low59Low134 Ų13473.9 Ų73.966%0.6643%0.43SS*.THydrogen-bonded Turntrans-66.3-19.9177-63.7-169.776.800113.5Q940 I941Q940-M943 PolarHBondContact O-N 3.2Å; I941-M943 VanDerWaalsContact C-N 3.28Å; I941-M943 PolarHBondContact O-N 3.12Å
944N51.6Low56.5Low94 Ų9478 Ų7850%0.50346%0.456SS..THydrogen-bonded Turntrans-90.1-8.6-175.7-65.4-20.8000114.6D762 G942D762-N944 PolarHBondContact OD1-ND2 3.3Å; G942-N944 PolarHBondContact O-N 3.47Å
945K49.8Very low54Low86 Ų8683.3 Ų83.337%0.37449%0.489SS..SBendtrans-96-10.9-170.7-78.7-173.9178177.20115.9F767 G942 V947F767-K945 HydrophobicContact CD2-CD 4.42Å; F767-K945 HydrophobicContact CE1-CD 4.39Å; F767-K945 HydrophobicContact CE2-CD 4.12Å; F767-K945 VanDerWaalsContact CE2-NZ 3.34Å; F767-K945 HydrophobicContact CZ-CD 4.12Å; G942-K945 PolarHBondContact O-N 3.04Å; K945-V947 PolarHBondContact O-N 3.03Å
946S38.5Very low51.3Low109 Ų10988.4 Ų88.476%0.76253%0.525SS*.THydrogen-bonded Turntrans-72.63.1179.281.60000114.8
947V36.2Very low48.8Very low121 Ų12188.3 Ų88.373%0.73354%0.537SS*.THydrogen-bonded Turntrans-114.8-3.1-176.2-176.20000112.9K945K945-V947 PolarHBondContact O-N 3.03Å
948V34.4Very low46.3Very low89 Ų8993.6 Ų93.654%0.53957%0.568SS.*SBendtrans-109.8-9.4-170.3-174.70000114.3S950V948-S950 PolarHBondContact O-N 3.15Å; V948-S950 VanDerWaalsContact O-N 3.13Å
949N32.3Very low43.6Very low146 Ų146102 Ų10278%0.78161%0.607SS**THydrogen-bonded Turntrans-79.19.6-177.7-71.8-6.2000115.1
950S31.5Very low41.2Very low120 Ų120105.9 Ų105.984%0.83964%0.636SS**THydrogen-bonded Turntrans-109.76.9-177.8-47.30000114.9V948V948-S950 PolarHBondContact O-N 3.15Å; V948-S950 VanDerWaalsContact O-N 3.13Å
951S27.9Very low38.8Very low93 Ų93108.9 Ų108.965%0.6565%0.652SS**  trans-154.858.2-171.168.40000116.1
952V31.9Very low36.4Very low132 Ų132113.2 Ų113.280%0.868%0.683SS**  trans-148.385.1162.1-167.60000111.7
953T29.3Very low34.8Very low137 Ų137121.5 Ų121.584%0.8472%0.717SS**  trans-117.6140.9147.939.20000108
954V34.6Very low33.3Very low127 Ų127121.3 Ų121.377%0.7772%0.723SS**SBendtrans91.376.8171.8-161.50000116.8
955T31.5Very low32.3Very low114 Ų114120.9 Ų120.970%0.69973%0.728SS**  42.1114.9121.854.20000121.4
956S29.8Very low31.4Very low113 Ų113125.9 Ų125.979%0.7975%0.75SS**  trans48.6115.4130.3660000120.6
957A33.1Very low31Very low87 Ų87124.8 Ų124.872%0.71975%0.747SS**  172.9116.2117.600000111.9
958T30.5Very low30.7Very low120 Ų120125.8 Ų125.874%0.73675%0.748SS**  trans44.1119.1136.156.50000121.9
959E28.1Very low30.5Very low178 Ų178130.4 Ų130.483%0.83276%0.76SS**  72128.4126.8-66.6-175.8165.400121.6
960S30.4Very low30.4Very low106 Ų106128.2 Ų128.274%0.74176%0.756SS**  trans105.8109.6138.177.60000118.6
961M29Very low30.3Very low171 Ų171132 Ų13284%0.84276%0.758SS**  64.8112.7127.4-66.4-170.372.100120.3
962S29Very low30.3Very low93 Ų93131.7 Ų131.765%0.6576%0.755SS**  104.1120115.775.40000119.4
963K30.2Very low30.1Very low182 Ų182132.5 Ų132.579%0.79176%0.755SS**  79.9135.9126.8-79.4178.7-178.5178.40119.7
964T30Very low30.2Very low130 Ų130131.6 Ų131.680%0.79876%0.755SS**  trans72.3144.8149.3570000116.7
965S29.9Very low30Very low85 Ų85132.3 Ų132.359%0.59475%0.753SS**  cis174.7164.1-13.3530000105
966K31.8Very low29.8Very low191 Ų191136 Ų13683%0.8376%0.76SS**  trans87.1107162.6-58.6168.4179.4175.20115.2
967A29.7Very low29.8Very low86 Ų86133.8 Ų133.871%0.71176%0.755SS**  88.2122.761.100000112.5
968L29.6Very low29.6Very low142 Ų142137 Ų13774%0.74376%0.76SS**  140.9125.5126.9-79.9152.8000113.8
969K29.9Very low29.4Very low186 Ų186136.8 Ų136.881%0.80976%0.758SS**  trans71.7137.1140.3-75.2171.9174.4176.30116.6
970S31.4Very low29.4Very low99 Ų99136.1 Ų136.169%0.69276%0.76SS**  cis-179.4152.111.139.50000108.5
971K28.3Very low29.3Very low200 Ų200135.2 Ų135.287%0.8776%0.759SS**  trans42.8136.6138.2-75.4-179.7170.9-1760118.1
972S28.5Very low29.2Very low86 Ų86133 Ų13360%0.60176%0.758SS**  cis167.4154.423.938.20000105.6
973D27.7Very low29.4Very low150 Ų150136.7 Ų136.780%0.80277%0.771SS**  trans51.4125.1148-47.8-25.4000117.8
974S32.3Very low29.4Very low118 Ų118133.6 Ų133.683%0.82577%0.767SS**  178166.158.756.20000111
975L28.6Very low29.7Very low142 Ų142134.7 Ų134.774%0.74377%0.768SS**  trans-60.3157.6-177.2-79.7106.7000117.7
976K29.1Very low29.8Very low191 Ų191139 Ų13983%0.8378%0.777SS**  trans88.1124.8132.8-88.3168180-176.40121.1
977G28.4Very low30Very low67 Ų67136.6 Ų136.669%0.69177%0.771SS**  trans76.6145.814000000115.2
978N28.7Very low30.2Very low154 Ų154138.4 Ų138.482%0.82477%0.769SS**  cis-162.3146.68.5-92.4-17.3000107.3
979T26.3Very low30.6Very low115 Ų115138 Ų13871%0.70677%0.767SS**  trans18.4148.4131.8-21.60000121.6
980L27.6Very low31.1Very low164 Ų164135.4 Ų135.486%0.85976%0.762SS**  trans97142.6156.4-57.4158.9000114.3
981A29.6Very low31.5Very low88 Ų88136.9 Ų136.973%0.72776%0.762SS**  cis-171152.1-14.100000105
982C26.3Very low31.8Very low123 Ų123133.8 Ų133.883%0.83176%0.756SS**  trans-66.9141.4174.3-660000111.9
983D33.2Very low32.3Very low171 Ų171136.9 Ų136.991%0.91477%0.765SS**  trans-130.4127.9154-97.6-31000109.5
984V31.4Very low32.5Very low118 Ų118136.9 Ų136.972%0.71577%0.765SS**  trans-96136.6176169.80000107.7
985N35.2Very low32.7Very low153 Ų153138.4 Ų138.482%0.81876%0.764SS**  trans-171.6110.3145.7-83.3-37.9000108
986K32Very low32.8Very low176 Ų176137 Ų13777%0.76577%0.767SS**  74.3134.577.8-126-177.3-170.4-176.30114.4
987I35.3Very low33Very low140 Ų140134.2 Ų134.272%0.71877%0.765SS**  trans88.6132.6159.7-57.1159.3000114.1
988D35.1Very low33.5Very low124 Ų124139.1 Ų139.166%0.66377%0.77SS**  cis-174.8161.2-16-93.9-25.2000104.2
989D38.5Very low33.9Very low132 Ų132139.2 Ų139.271%0.70677%0.77SS**  trans81.9120.2148-61.5-18.9000122.6
990D39Very low35Very low132 Ų132141.6 Ų141.671%0.70677%0.774SS**  trans102.1116.1131.1-64.5-13000121.3
991D39.7Very low36.3Very low130 Ų130138.8 Ų138.870%0.69576%0.759SS**  trans86.4104.5136.3-59.9-16.5000120.9
992D36.2Very low38Very low136 Ų136137.8 Ų137.873%0.72774%0.741SS**  78139124.4-65.8-25.8000121.5
993D38.8Very low40.1Very low151 Ų151132 Ų13281%0.80770%0.701SS**  trans9293.3157.6-57.5-28.3000119.2
994D31.2Very low42.2Very low150 Ų150124.5 Ų124.580%0.80266%0.662SS**  57.695.1122.8-140.518.1000117.1
995D35.9Very low44.4Very low149 Ų149123.8 Ų123.880%0.79765%0.649SS**  trans-174.7126.7135-92.2-30.7000111.4V997D995-V997 PolarHBondContact O-N 3.06Å
996S31.4Very low46.5Very low114 Ų114117 Ų11780%0.79761%0.613SS**  trans-55.9111.2178.751.90000113.7
997V34.1Very low48.9Very low131 Ų131108.7 Ų108.779%0.79458%0.576SS**  trans-101.796.4166.1-174.90000108.2D995 D999D995-V997 PolarHBondContact O-N 3.06Å; V997-D999 PolarHBondContact O-N 3.02Å
998E37.7Very low51.2Low171 Ų171103 Ų10380%0.79955%0.547SS*.  trans-70.7119.3168.3-77.4-175.2156.300109.8Q1000E998-Q1000 PolarHBondContact O-N 3.47Å
999D37.8Very low53.4Low155 Ų155100.8 Ų100.883%0.82953%0.532SS*.  trans-56.5102.2171.2-72.3-43.7000111.1V997 L1001V997-D999 PolarHBondContact O-N 3.02Å; D999-L1001 PolarHBondContact O-N 2.99Å
1000Q48.7Very low55.7Low166 Ų16694.8 Ų94.878%0.77650%0.5SS*.  trans-79.4112.3-178.5-77.7-179.3-2.900112.2E998 L1002E998-Q1000 PolarHBondContact O-N 3.47Å; Q1000-L1002 PolarHBondContact O-N 3.24Å
1001L56.4Low57.9Low104 Ų10488.5 Ų88.555%0.54547%0.466SS..  trans-56125.7164.6-80.6116.2000111.6D999 R1066D999-L1001 PolarHBondContact O-N 2.99Å; L1001-R1066 VanDerWaalsContact CD2-O 3.31Å; L1001-R1066 WeakPolarHBondContact CD2-O 3.41Å
1002L63.5Low60.1Low67 Ų6784.1 Ų84.135%0.35144%0.443SS..SBendtrans-71.3-33.1175.9-92.8149.8000113.2F767 Q1000 N1064F767-L1002 WeakPolarHBondContact CD1-O 3.31Å; F767-L1002 WeakPolarHBondContact CE1-O 3.14Å; Q1000-L1002 PolarHBondContact O-N 3.24Å; L1002-N1064 HydrophobicContact CD1-CB 4.02Å
1003L71.2Confident62.6Low1 Ų179.5 Ų79.51%0.00542%0.419CS..SBendtrans-114132.6176.3-125.778.6000110W766 I941 L1008 L1011 F1065W766-L1003 HydrophobicContact CB-CD1 3.81Å; W766-L1003 HydrophobicContact CB-CG 4.28Å; W766-L1003 HydrophobicContact CG-CD1 4.4Å; I941-L1003 HydrophobicContact CG2-CD1 3.56Å; L1003-L1008 HydrophobicContact CB-CD2 4.35Å; L1003-L1008 HydrophobicContact CB-CG 4.15Å; L1003-L1008 HydrophobicContact CD2-CD2 3.64Å; L1003-L1008 HydrophobicContact CD2-CG 3.85Å; L1003-L1011 HydrophobicContact CD2-CD2 4.43Å; L1003-F1065 HydrophobicContact CB-CB 4.26Å; L1003-F1065 WeakPolarHBondContact CB-O 3.35Å; L1003-F1065 HydrophobicContact CD1-CD1 4.25Å; L1003-F1065 PolarHBondContact N-O 3.24Å
1004T77.6Confident64.9Low14 Ų1472.3 Ų72.39%0.08638%0.381CS..  trans-66.7152.6170.256.60000110.1W766 F767 I768 H769 H1006 G1007 L1008W766-T1004 PolarHBondContact O-N 3.38Å; W766-T1004 PolarHBondContact O-OG1 3.31Å; F767-T1004 VanDerWaalsContact C-CG2 3.45Å; F767-T1004 WeakPolarHBondContact O-CG2 3.02Å; I768-T1004 PolarHBondContact O-OG1 2.93Å; H769-T1004 VanDerWaalsContact CE1-CG2 3.41Å; H769-T1004 WeakPolarHBondContact CE1-CG2 3.24Å; T1004-H1006 PolarHBondContact O-N 2.87Å; T1004-G1007 WeakPolarHBondContact O-CA 3.18Å; T1004-G1007 PolarHBondContact O-N 3.24Å; T1004-G1007 PolarHBondContact OG1-N 3.18Å; T1004-L1008 PolarHBondContact O-N 2.92Å
1005K76.5Confident67.6Low103 Ų10365.3 Ų65.345%0.44834%0.343SS..Hα-helixtrans-53.7-35.5170.7-71.6175.5176.3166.80111.5E775 L1008 K1009E775-K1005 HydrophobicContact CB-CD 4.18Å; E775-K1005 IonicContact OE1-NZ 2.8Å; E775-K1005 PolarHBondContact OE1-NZ 3.27Å; E775-K1005 WeakPolarHBondContact OE2-CD 3.32Å; E775-K1005 WeakPolarHBondContact OE2-CE 3.41Å; E775-K1005 IonicContact OE2-NZ 2.92Å; E775-K1005 PolarHBondContact OE2-NZ 3.45Å; K1005-L1008 PolarHBondContact O-N 3.15Å; K1005-K1009 PolarHBondContact O-N 2.97Å; K1005-K1009 VanDerWaalsContact O-N 3.09Å
1006H81.1Confident70Confident12 Ų1258.9 Ų58.96%0.05631%0.312CS..Hα-helixtrans-60-48.5171.2176.5-88.1000112.6E775 Y782 T1004 L1008 K1009 Q1010E775-H1006 PolarHBondContact O-N 3.19Å; Y782-H1006 AromaticContact CE1-CD2 3.74Å; Y782-H1006 AromaticContact CE1-NE2 3.77Å; Y782-H1006 AromaticContact CZ-CD2 3.94Å; Y782-H1006 PolarHBondContact OH-CD2 2.77Å; T1004-H1006 PolarHBondContact O-N 2.87Å; H1006-L1008 PolarHBondContact O-N 3.13Å; H1006-K1009 PolarHBondContact O-N 3.4Å; H1006-Q1010 PolarHBondContact O-N 3.01Å
1007G82.2Confident72.8Confident0 Ų056.9 Ų56.90%029%0.287CS..Hα-helixtrans-60-41175.800000113.4T1004 Q1010 L1011T1004-G1007 WeakPolarHBondContact O-CA 3.18Å; T1004-G1007 PolarHBondContact O-N 3.24Å; T1004-G1007 PolarHBondContact OG1-N 3.18Å; G1007-Q1010 PolarHBondContact O-N 2.96Å; G1007-L1011 WeakPolarHBondContact O-CB 3.3Å; G1007-L1011 PolarHBondContact O-N 3.45Å
1008L82.2Confident75.3Confident20 Ų2050.7 Ų50.711%0.10525%0.25CC..Hα-helixtrans-63.6-45.5176.2-74.6167.9000111.9L1003 T1004 K1005 H1006 Q1010 L1011 D1012 I1040 F1065 R1066L1003-L1008 HydrophobicContact CB-CD2 4.35Å; L1003-L1008 HydrophobicContact CB-CG 4.15Å; L1003-L1008 HydrophobicContact CD2-CD2 3.64Å; L1003-L1008 HydrophobicContact CD2-CG 3.85Å; T1004-L1008 PolarHBondContact O-N 2.92Å; K1005-L1008 PolarHBondContact O-N 3.15Å; H1006-L1008 PolarHBondContact O-N 3.13Å; L1008-Q1010 VanDerWaalsContact C-N 3.33Å; L1008-Q1010 PolarHBondContact O-N 3.35Å; L1008-L1011 PolarHBondContact O-N 2.89Å; L1008-D1012 PolarHBondContact O-N 2.76Å; L1008-I1040 HydrophobicContact CD2-CG2 4.17Å; L1008-F1065 HydrophobicContact CD2-CB 4.39Å; L1008-R1066 HydrophobicContact CD1-CG 4.01Å; L1008-R1066 HydrophobicContact CD2-CG 4.13Å
1009K82.6Confident77.6Confident78 Ų7843.5 Ų43.534%0.33922%0.216SC..Hα-helixtrans-63-39.4175.6-76-165.7179.8-173.40112.4C776 N779 Y782 K1005 H1006 L1011 D1012 V1013C776-K1009 HydrophobicContact CB-CD 4.01Å; N779-K1009 PolarHBondContact OD1-NZ 3.06Å; Y782-K1009 HydrophobicContact CD1-CB 4.42Å; Y782-K1009 HydrophobicContact CE1-CB 3.85Å; Y782-K1009 HydrophobicContact CE2-CB 4.07Å; Y782-K1009 HydrophobicContact CE2-CD 3.81Å; K1005-K1009 PolarHBondContact O-N 2.97Å; K1005-K1009 VanDerWaalsContact O-N 3.09Å; H1006-K1009 PolarHBondContact O-N 3.4Å; K1009-L1011 VanDerWaalsContact C-N 3.33Å; K1009-D1012 PolarHBondContact O-N 2.94Å; K1009-V1013 WeakPolarHBondContact O-CG2 3.36Å; K1009-V1013 PolarHBondContact O-N 3.49Å; K1009-V1013 VanDerWaalsContact O-N 3.07Å
1010Q86.3Confident80Confident7 Ų739.4 Ų39.43%0.03320%0.2CC..Hα-helixtrans-63.3-41.3175.4-177.261.954.300111.6I765 W766 Y782 L783 Q785 H1006 G1007 L1008 V1013 D1014I765-Q1010 HydrophobicContact CD1-CG 4.08Å; W766-Q1010 HydrophobicContact CZ3-CB 4.28Å; W766-Q1010 HydrophobicContact CZ3-CG 4.2Å; Y782-Q1010 HydrophobicContact CD1-CB 4.29Å; Y782-Q1010 HydrophobicContact CE1-CB 4.42Å; L783-Q1010 PolarHBondContact O-NE2 3.25Å; Q785-Q1010 HydrophobicContact CG-CG 4.08Å; Q785-Q1010 VanDerWaalsContact NE2-CD 3.29Å; H1006-Q1010 PolarHBondContact O-N 3.01Å; G1007-Q1010 PolarHBondContact O-N 2.96Å; L1008-Q1010 VanDerWaalsContact C-N 3.33Å; L1008-Q1010 PolarHBondContact O-N 3.35Å; Q1010-V1013 PolarHBondContact O-N 3.31Å; Q1010-D1014 PolarHBondContact NE2-OD1 3.21Å; Q1010-D1014 PolarHBondContact O-N 2.99Å
1011L85.7Confident81.8Confident0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-65.1-40.2177.9-173.762.5000111.8W766 I938 L1003 G1007 L1008 K1009 V1013 D1014 L1015 I1040W766-L1011 HydrophobicContact CH2-CB 4.33Å; W766-L1011 HydrophobicContact CH2-CD1 3.89Å; W766-L1011 HydrophobicContact CZ3-CB 3.8Å; W766-L1011 HydrophobicContact CZ3-CD1 4.17Å; I938-L1011 HydrophobicContact CD1-CD1 4.07Å; I938-L1011 HydrophobicContact CG1-CD1 4.12Å; I938-L1011 HydrophobicContact CG2-CD1 4.04Å; I938-L1011 HydrophobicContact CG2-CD2 3.9Å; L1003-L1011 HydrophobicContact CD2-CD2 4.43Å; G1007-L1011 WeakPolarHBondContact O-CB 3.3Å; G1007-L1011 PolarHBondContact O-N 3.45Å; L1008-L1011 PolarHBondContact O-N 2.89Å; K1009-L1011 VanDerWaalsContact C-N 3.33Å; L1011-V1013 VanDerWaalsContact C-N 3.33Å; L1011-V1013 PolarHBondContact O-N 3.07Å; L1011-D1014 PolarHBondContact O-N 2.93Å; L1011-L1015 HydrophobicContact CG-CD1 4.34Å; L1011-L1015 WeakPolarHBondContact O-CB 3.47Å; L1011-L1015 WeakPolarHBondContact O-CG 3.2Å; L1011-L1015 PolarHBondContact O-N 3.44Å; L1011-I1040 HydrophobicContact CD2-CD1 3.59Å; L1011-I1040 HydrophobicContact CD2-CG1 4.49Å; L1011-I1040 HydrophobicContact CG-CD1 4.16Å
1012D86.1Confident83.1Confident38 Ų3826.7 Ų26.720%0.20314%0.137CC..Hα-helixtrans-64.1-37173.6179.649.2000112.2L1008 K1009 L1015 G1016 R1037 N1041L1008-D1012 PolarHBondContact O-N 2.76Å; K1009-D1012 PolarHBondContact O-N 2.94Å; D1012-L1015 PolarHBondContact O-N 2.91Å; D1012-G1016 PolarHBondContact O-N 3.37Å; D1012-R1037 IonicContact OD1-CZ 3.67Å; D1012-R1037 IonicContact OD1-NE 2.89Å; D1012-R1037 PolarHBondContact OD1-NE 3.38Å; D1012-R1037 IonicContact OD1-NH2 3.35Å; D1012-N1041 VanDerWaalsContact CG-ND2 3.31Å; D1012-N1041 PolarHBondContact OD1-ND2 3.48Å
1013V86.7Confident84.2Confident38 Ų3830.6 Ų30.623%0.2315%0.154CC..Hα-helixtrans-65.5-43.4175.3172.20000111.2Y782 P784 K1009 Q1010 L1011 G1016 Y1017Y782-V1013 VanDerWaalsContact CB-CG2 3.5Å; Y782-V1013 HydrophobicContact CG-CG2 4.16Å; P784-V1013 HydrophobicContact CG-CG1 4.33Å; K1009-V1013 WeakPolarHBondContact O-CG2 3.36Å; K1009-V1013 PolarHBondContact O-N 3.49Å; K1009-V1013 VanDerWaalsContact O-N 3.07Å; Q1010-V1013 PolarHBondContact O-N 3.31Å; L1011-V1013 VanDerWaalsContact C-N 3.33Å; L1011-V1013 PolarHBondContact O-N 3.07Å; V1013-G1016 PolarHBondContact O-N 3.42Å; V1013-Y1017 PolarHBondContact O-N 3.42Å
1014D88.9Confident84.7Confident1 Ų134.9 Ų34.91%0.00518%0.177CC..Hα-helixtrans-63.6-44176.2-67.6-14000111.4P784 Q785 Y787 I788 Q1010 L1011 Y1017 L1018P784-D1014 WeakPolarHBondContact CA-OD1 3.5Å; Q785-D1014 PolarHBondContact N-OD1 2.82Å; Y787-D1014 WeakPolarHBondContact CE1-OD2 3.3Å; Y787-D1014 VanDerWaalsContact OH-CB 3.3Å; Y787-D1014 WeakPolarHBondContact OH-CB 3.21Å; Y787-D1014 PolarHBondContact OH-OD2 3.22Å; I788-D1014 HydrophobicContact CB-CB 4.49Å; I788-D1014 HydrophobicContact CG2-CB 4.11Å; Q1010-D1014 PolarHBondContact NE2-OD1 3.21Å; Q1010-D1014 PolarHBondContact O-N 2.99Å; L1011-D1014 PolarHBondContact O-N 2.93Å; D1014-Y1017 PolarHBondContact O-N 3.02Å; D1014-L1018 PolarHBondContact O-N 2.95Å; D1014-L1018 VanDerWaalsContact O-N 3.08Å
1015L86.6Confident84.8Confident3 Ų334.4 Ų34.42%0.01617%0.173CC..Hα-helixtrans-64.4-40.1174.2-72.6173.9000111.5I938 L1011 D1012 Y1017 L1018 F1019 L1033 L1036 R1037 I1040I938-L1015 HydrophobicContact CD1-CD2 3.9Å; L1011-L1015 HydrophobicContact CG-CD1 4.34Å; L1011-L1015 WeakPolarHBondContact O-CB 3.47Å; L1011-L1015 WeakPolarHBondContact O-CG 3.2Å; L1011-L1015 PolarHBondContact O-N 3.44Å; D1012-L1015 PolarHBondContact O-N 2.91Å; L1015-Y1017 VanDerWaalsContact C-N 3.3Å; L1015-Y1017 PolarHBondContact O-N 3.46Å; L1015-L1018 WeakPolarHBondContact O-CB 3.36Å; L1015-L1018 PolarHBondContact O-N 3.12Å; L1015-F1019 WeakPolarHBondContact O-CD2 3.18Å; L1015-F1019 PolarHBondContact O-N 2.84Å; L1015-L1033 HydrophobicContact CD2-CD1 3.82Å; L1015-L1036 HydrophobicContact CD1-CD2 4.46Å; L1015-L1036 HydrophobicContact CD2-CD2 4.44Å; L1015-R1037 HydrophobicContact CD1-CB 4.28Å; L1015-R1037 HydrophobicContact CD1-CG 4.46Å; L1015-I1040 HydrophobicContact CD1-CD1 3.75Å
1016G87.3Confident84.9Confident13 Ų1330.2 Ų30.213%0.13416%0.16CC..Hα-helixtrans-61-38.6175.900000112.8D1012 V1013 S1020D1012-G1016 PolarHBondContact O-N 3.37Å; V1013-G1016 PolarHBondContact O-N 3.42Å; G1016-S1020 PolarHBondContact O-N 3.35Å; G1016-S1020 VanDerWaalsContact O-N 3.1Å; G1016-S1020 PolarHBondContact O-OG 3.35Å
1017Y89Confident84.8Confident72 Ų7230 Ų3028%0.28216%0.159SC..Hα-helixtrans-65-44.5172.8179.4-101.1000111.8P784 I788 T789 V1013 D1014 L1015 F1019 S1020 M1021P784-Y1017 HydrophobicContact CB-CD1 4.34Å; P784-Y1017 HydrophobicContact CB-CD2 4.28Å; P784-Y1017 HydrophobicContact CB-CG 3.94Å; P784-Y1017 HydrophobicContact CG-CD2 3.83Å; P784-Y1017 HydrophobicContact CG-CG 3.87Å; I788-Y1017 HydrophobicContact CB-CD1 4.49Å; I788-Y1017 HydrophobicContact CG1-CD1 3.94Å; I788-Y1017 HydrophobicContact CG2-CD1 3.97Å; T789-Y1017 HydrophobicContact CG2-CE1 4.3Å; V1013-Y1017 PolarHBondContact O-N 3.42Å; D1014-Y1017 PolarHBondContact O-N 3.02Å; L1015-Y1017 VanDerWaalsContact C-N 3.3Å; L1015-Y1017 PolarHBondContact O-N 3.46Å; Y1017-F1019 PolarHBondContact O-N 2.64Å; Y1017-S1020 PolarHBondContact O-N 3.48Å; Y1017-M1021 HydrophobicContact CD1-CE 3.66Å; Y1017-M1021 HydrophobicContact CE1-CE 3.16Å; Y1017-M1021 WeakPolarHBondContact O-CB 3.45Å; Y1017-M1021 PolarHBondContact O-N 3.45Å
1018L86.8Confident84.7Confident1 Ų133.7 Ų33.71%0.00519%0.185CC..Hα-helixtrans-60.4-43.6176.4-178.363.5000112.2I788 I934 D1014 L1015 S1020 M1021 L1022 L1033I788-L1018 HydrophobicContact CD1-CB 4.25Å; I788-L1018 HydrophobicContact CD1-CD1 4.38Å; I788-L1018 HydrophobicContact CG1-CB 4.49Å; I934-L1018 HydrophobicContact CD1-CD1 3.95Å; I934-L1018 HydrophobicContact CD1-CD2 3.74Å; I934-L1018 HydrophobicContact CG2-CD2 4.1Å; D1014-L1018 PolarHBondContact O-N 2.95Å; D1014-L1018 VanDerWaalsContact O-N 3.08Å; L1015-L1018 WeakPolarHBondContact O-CB 3.36Å; L1015-L1018 PolarHBondContact O-N 3.12Å; L1018-S1020 VanDerWaalsContact C-N 3.35Å; L1018-S1020 PolarHBondContact O-N 2.96Å; L1018-M1021 HydrophobicContact CD1-SD 4.28Å; L1018-M1021 WeakPolarHBondContact O-CB 3.3Å; L1018-M1021 PolarHBondContact O-N 2.91Å; L1018-L1022 HydrophobicContact CD1-CG 4.45Å; L1018-L1022 HydrophobicContact CG-CD1 4.3Å; L1018-L1022 HydrophobicContact CG-CG 4.5Å; L1018-L1022 WeakPolarHBondContact O-CG 3.36Å; L1018-L1022 PolarHBondContact O-N 3.29Å; L1018-L1033 HydrophobicContact CD2-CD1 4.09Å; L1018-L1033 HydrophobicContact CD2-CD2 3.71Å; L1018-L1033 HydrophobicContact CG-CD2 4.31Å
1019F87Confident84.5Confident21 Ų2135.1 Ų35.19%0.09220%0.195CC..Hα-helixtrans-64.9-41.3178.7-81.7-130.6000111.6L1015 Y1017 M1021 L1022 H1023 V1029 L1033 R1037L1015-F1019 WeakPolarHBondContact O-CD2 3.18Å; L1015-F1019 PolarHBondContact O-N 2.84Å; Y1017-F1019 PolarHBondContact O-N 2.64Å; F1019-M1021 VanDerWaalsContact C-N 3.29Å; F1019-M1021 PolarHBondContact O-N 3.43Å; F1019-L1022 PolarHBondContact O-N 2.87Å; F1019-H1023 WeakPolarHBondContact O-CB 3.36Å; F1019-H1023 PolarHBondContact O-N 3.43Å; F1019-V1029 HydrophobicContact CD1-CG1 3.96Å; F1019-V1029 HydrophobicContact CD1-CG2 4.07Å; F1019-V1029 HydrophobicContact CE1-CG1 3.56Å; F1019-V1029 HydrophobicContact CE1-CG2 4.47Å; F1019-V1029 HydrophobicContact CE2-CG1 4.4Å; F1019-V1029 HydrophobicContact CZ-CG1 3.81Å; F1019-L1033 HydrophobicContact CD2-CD2 4.03Å; F1019-L1033 HydrophobicContact CD2-CG 4.49Å; F1019-L1033 HydrophobicContact CE2-CD1 4.48Å; F1019-L1033 HydrophobicContact CE2-CD2 3.59Å; F1019-L1033 HydrophobicContact CE2-CG 3.59Å; F1019-L1033 HydrophobicContact CZ-CD2 4.28Å; F1019-L1033 HydrophobicContact CZ-CG 4.05Å; F1019-R1037 HydrophobicContact CE2-CB 4.42Å; F1019-R1037 HydrophobicContact CZ-CB 3.94Å; F1019-R1037 HydrophobicContact CZ-CG 4.46Å
1020S87.1Confident84.4Confident69 Ų6932.5 Ų32.548%0.48319%0.185SC..Hα-helixtrans-61.5-41.9175.9-55.40000110.7G1016 Y1017 L1018 H1023 D1024G1016-S1020 PolarHBondContact O-N 3.35Å; G1016-S1020 VanDerWaalsContact O-N 3.1Å; G1016-S1020 PolarHBondContact O-OG 3.35Å; Y1017-S1020 PolarHBondContact O-N 3.48Å; L1018-S1020 VanDerWaalsContact C-N 3.35Å; L1018-S1020 PolarHBondContact O-N 2.96Å; S1020-H1023 PolarHBondContact O-N 2.95Å; S1020-D1024 WeakPolarHBondContact O-CB 3.37Å; S1020-D1024 VanDerWaalsContact O-CG 3.25Å; S1020-D1024 PolarHBondContact O-N 3.18Å
1021M86.3Confident84.1Confident3 Ų336.4 Ų36.42%0.01521%0.214CC..Hα-helixtrans-65.7-43.8176.1177.4-161.2-47.700113.1G792 L795 F796 Y1017 L1018 F1019 H1023 D1024 L1025G792-M1021 WeakPolarHBondContact CA-SD 3.42Å; L795-M1021 HydrophobicContact CB-SD 4.27Å; L795-M1021 HydrophobicContact CD1-SD 3.76Å; F796-M1021 HydrophobicContact CD2-CG 4.33Å; F796-M1021 HydrophobicContact CE2-CB 4.35Å; F796-M1021 HydrophobicContact CE2-CG 3.61Å; F796-M1021 HydrophobicContact CZ-CB 4.47Å; F796-M1021 HydrophobicContact CZ-CG 3.86Å; Y1017-M1021 HydrophobicContact CD1-CE 3.66Å; Y1017-M1021 HydrophobicContact CE1-CE 3.16Å; Y1017-M1021 WeakPolarHBondContact O-CB 3.45Å; Y1017-M1021 PolarHBondContact O-N 3.45Å; L1018-M1021 HydrophobicContact CD1-SD 4.28Å; L1018-M1021 WeakPolarHBondContact O-CB 3.3Å; L1018-M1021 PolarHBondContact O-N 2.91Å; F1019-M1021 VanDerWaalsContact C-N 3.29Å; F1019-M1021 PolarHBondContact O-N 3.43Å; M1021-H1023 VanDerWaalsContact C-N 3.28Å; M1021-H1023 PolarHBondContact O-N 3.46Å; M1021-D1024 PolarHBondContact O-N 3.17Å; M1021-L1025 HydrophobicContact CG-CD1 4.03Å; M1021-L1025 WeakPolarHBondContact O-CB 3.5Å; M1021-L1025 WeakPolarHBondContact O-CG 3.48Å; M1021-L1025 PolarHBondContact O-N 3.26Å
1022L85.3Confident83.9Confident0 Ų039 Ų390%023%0.227CC..Hα-helixtrans-61.4-40.1176.1-71.4174.9000111.2I926 L1018 F1019 L1025 G1026 V1027 V1029 L1033I926-L1022 HydrophobicContact CG2-CD2 3.41Å; I926-L1022 VanDerWaalsContact CG2-CD2 3.41Å; L1018-L1022 HydrophobicContact CD1-CG 4.45Å; L1018-L1022 HydrophobicContact CG-CD1 4.3Å; L1018-L1022 HydrophobicContact CG-CG 4.5Å; L1018-L1022 WeakPolarHBondContact O-CG 3.36Å; L1018-L1022 PolarHBondContact O-N 3.29Å; F1019-L1022 PolarHBondContact O-N 2.87Å; L1022-L1025 CarbonylContact O-C 3.37Å; L1022-L1025 PolarHBondContact O-N 3.17Å; L1022-G1026 PolarHBondContact O-N 3.41Å; L1022-G1026 VanDerWaalsContact O-N 3.08Å; L1022-V1027 HydrophobicContact CD2-CB 4.38Å; L1022-V1027 HydrophobicContact CD2-CG1 4.4Å; L1022-V1027 PolarHBondContact O-N 3.16Å; L1022-V1029 HydrophobicContact CD1-CG2 4.48Å; L1022-L1033 HydrophobicContact CD1-CD2 3.92Å
1023H84.6Confident83.8Confident149 Ų14937.2 Ų37.269%0.6922%0.218SC*.Hα-helixtrans-64.2-44173.9179.3-82.5000112F1019 S1020 M1021 L1025 G1026F1019-H1023 WeakPolarHBondContact O-CB 3.36Å; F1019-H1023 PolarHBondContact O-N 3.43Å; S1020-H1023 PolarHBondContact O-N 2.95Å; M1021-H1023 VanDerWaalsContact C-N 3.28Å; M1021-H1023 PolarHBondContact O-N 3.46Å; H1023-L1025 VanDerWaalsContact C-N 3.27Å; H1023-L1025 PolarHBondContact O-N 3.21Å; H1023-G1026 PolarHBondContact O-N 3.31Å
1024D83.6Confident83.6Confident91 Ų9139 Ų3949%0.48722%0.223SC..Hα-helixtrans-64.5-31.9176.2-73.1-13.7000112.4F796 S1020 M1021 G1026F796-D1024 HydrophobicContact CE1-CB 4.17Å; F796-D1024 HydrophobicContact CZ-CB 3.93Å; S1020-D1024 WeakPolarHBondContact O-CB 3.37Å; S1020-D1024 VanDerWaalsContact O-CG 3.25Å; S1020-D1024 PolarHBondContact O-N 3.18Å; M1021-D1024 PolarHBondContact O-N 3.17Å; D1024-G1026 VanDerWaalsContact C-N 3.28Å
1025L79.7Confident83.2Confident3 Ų339.5 Ų39.52%0.01623%0.227CC..THydrogen-bonded Turntrans-83.77171-69.5170.6000112.8L795 F796 P799 F897 I926 M1021 L1022 H1023 V1027L795-L1025 HydrophobicContact CB-CD1 4.13Å; F796-L1025 HydrophobicContact CD1-CD2 3.63Å; F796-L1025 HydrophobicContact CD1-CG 4.13Å; F796-L1025 HydrophobicContact CE1-CD2 3.72Å; F796-L1025 HydrophobicContact CE1-CG 3.8Å; F796-L1025 HydrophobicContact CZ-CG 4.37Å; P799-L1025 HydrophobicContact CG-CD2 4.26Å; F897-L1025 VanDerWaalsContact CD1-O 3.3Å; F897-L1025 WeakPolarHBondContact CD1-O 3.46Å; F897-L1025 HydrophobicContact CD2-CD2 4.43Å; F897-L1025 VanDerWaalsContact CE1-C 3.45Å; F897-L1025 WeakPolarHBondContact CE1-O 3.36Å; F897-L1025 WeakPolarHBondContact CZ-O 3.26Å; I926-L1025 HydrophobicContact CD1-CD1 4.37Å; M1021-L1025 HydrophobicContact CG-CD1 4.03Å; M1021-L1025 WeakPolarHBondContact O-CB 3.5Å; M1021-L1025 WeakPolarHBondContact O-CG 3.48Å; M1021-L1025 PolarHBondContact O-N 3.26Å; L1022-L1025 CarbonylContact O-C 3.37Å; L1022-L1025 PolarHBondContact O-N 3.17Å; H1023-L1025 VanDerWaalsContact C-N 3.27Å; H1023-L1025 PolarHBondContact O-N 3.21Å; L1025-V1027 HydrophobicContact CB-CG2 4.31Å; L1025-V1027 WeakPolarHBondContact O-CG2 3.3Å; L1025-V1027 PolarHBondContact O-N 3.05Å
1026G77.8Confident83Confident16 Ų1639.4 Ų39.417%0.16523%0.226CC..THydrogen-bonded Turntrans60.915.9176.500000116.5L1022 H1023 D1024L1022-G1026 PolarHBondContact O-N 3.41Å; L1022-G1026 VanDerWaalsContact O-N 3.08Å; H1023-G1026 PolarHBondContact O-N 3.31Å; D1024-G1026 VanDerWaalsContact C-N 3.28Å
1027V79.8Confident82.7Confident8 Ų841.9 Ų41.95%0.04823%0.232CC..PPolyproline II helixtrans-91.8138.5-179.2178.80000110E923 I926 L1022 L1025E923-V1027 HydrophobicContact CG-CG1 4.33Å; I926-V1027 HydrophobicContact CB-CG2 4.41Å; I926-V1027 HydrophobicContact CD1-CG2 4.37Å; I926-V1027 HydrophobicContact CG2-CG1 4.29Å; I926-V1027 HydrophobicContact CG2-CG2 4.27Å; L1022-V1027 HydrophobicContact CD2-CB 4.38Å; L1022-V1027 HydrophobicContact CD2-CG1 4.4Å; L1022-V1027 PolarHBondContact O-N 3.16Å; L1025-V1027 HydrophobicContact CB-CG2 4.31Å; L1025-V1027 WeakPolarHBondContact O-CG2 3.3Å; L1025-V1027 PolarHBondContact O-N 3.05Å
1028S79.2Confident82.4Confident77 Ų7740.9 Ų40.954%0.53823%0.231SC..PPolyproline II helixtrans-68.1139.5175.360.70000111.5P1030S1028-P1030 WeakPolarHBondContact O-CD 3.45Å
1029V77.5Confident82.1Confident50 Ų5040.8 Ų40.830%0.30323%0.231SC..PPolyproline II helixtrans-73.2124.8179.1179.50000109.3F1019 L1022 L1033 Q1034F1019-V1029 HydrophobicContact CD1-CG1 3.96Å; F1019-V1029 HydrophobicContact CD1-CG2 4.07Å; F1019-V1029 HydrophobicContact CE1-CG1 3.56Å; F1019-V1029 HydrophobicContact CE1-CG2 4.47Å; F1019-V1029 HydrophobicContact CE2-CG1 4.4Å; F1019-V1029 HydrophobicContact CZ-CG1 3.81Å; L1022-V1029 HydrophobicContact CD1-CG2 4.48Å; V1029-L1033 HydrophobicContact CG1-CD2 4.37Å; V1029-Q1034 HydrophobicContact CG1-CB 4.41Å
1030P80.6Confident81.7Confident23 Ų2340 Ų4015%0.14923%0.227CC..PPolyproline II helixtrans-64.5142.9179.3-22.734.6000112.3S927 C931 S1028 N1032 L1033 Q1034S927-P1030 WeakPolarHBondContact O-CG 3.42Å; C931-P1030 HydrophobicContact CB-CG 3.7Å; S1028-P1030 WeakPolarHBondContact O-CD 3.45Å; P1030-N1032 VanDerWaalsContact C-N 3.26Å; P1030-N1032 PolarHBondContact O-N 3.48Å; P1030-L1033 HydrophobicContact CB-CB 4.44Å; P1030-L1033 PolarHBondContact O-N 3.17Å; P1030-Q1034 PolarHBondContact O-N 2.83Å
1031S80.4Confident81.3Confident89 Ų8940.4 Ų40.462%0.62222%0.224SC*.Hα-helixtrans-57.4-36.1-179.4580000113.3T1035S1031-T1035 WeakPolarHBondContact O-CB 3.22Å; S1031-T1035 PolarHBondContact O-N 3.37Å; S1031-T1035 PolarHBondContact O-OG1 3.39Å
1032N82.6Confident81Confident53 Ų5340.6 Ų40.628%0.28323%0.225SC..Hα-helixtrans-64.3-41.3176.7-70.8-20.1000112.1P1030 T1035 L1036 I1058P1030-N1032 VanDerWaalsContact C-N 3.26Å; P1030-N1032 PolarHBondContact O-N 3.48Å; N1032-T1035 WeakPolarHBondContact O-CB 3.42Å; N1032-T1035 PolarHBondContact O-N 3.07Å; N1032-L1036 WeakPolarHBondContact O-CB 3.42Å; N1032-L1036 PolarHBondContact O-N 2.95Å; N1032-I1058 HydrophobicContact CB-CD1 4.11Å
1033L82.2Confident80.4Confident1 Ų145.4 Ų45.41%0.00525%0.251CS..Hα-helixtrans-73.3-40.7-179.6-170.972.4000110.9V935 L1015 L1018 F1019 L1022 V1029 P1030 T1035 L1036 R1037V935-L1033 HydrophobicContact CG2-CB 4.35Å; V935-L1033 HydrophobicContact CG2-CD1 3.77Å; L1015-L1033 HydrophobicContact CD2-CD1 3.82Å; L1018-L1033 HydrophobicContact CD2-CD1 4.09Å; L1018-L1033 HydrophobicContact CD2-CD2 3.71Å; L1018-L1033 HydrophobicContact CG-CD2 4.31Å; F1019-L1033 HydrophobicContact CD2-CD2 4.03Å; F1019-L1033 HydrophobicContact CD2-CG 4.49Å; F1019-L1033 HydrophobicContact CE2-CD1 4.48Å; F1019-L1033 HydrophobicContact CE2-CD2 3.59Å; F1019-L1033 HydrophobicContact CE2-CG 3.59Å; F1019-L1033 HydrophobicContact CZ-CD2 4.28Å; F1019-L1033 HydrophobicContact CZ-CG 4.05Å; L1022-L1033 HydrophobicContact CD1-CD2 3.92Å; V1029-L1033 HydrophobicContact CG1-CD2 4.37Å; P1030-L1033 HydrophobicContact CB-CB 4.44Å; P1030-L1033 PolarHBondContact O-N 3.17Å; L1033-T1035 VanDerWaalsContact C-N 3.29Å; L1033-T1035 PolarHBondContact O-N 3.25Å; L1033-L1036 PolarHBondContact O-N 3.04Å; L1033-R1037 PolarHBondContact O-N 2.97Å; L1033-R1037 VanDerWaalsContact O-N 3.1Å
1034Q83.3Confident79.6Confident75 Ų7541 Ų4135%0.3524%0.241SC..Hα-helixtrans-58-45.4170.4-17465.655.400110.6V1029 P1030 L1036 R1037 D1038V1029-Q1034 HydrophobicContact CG1-CB 4.41Å; P1030-Q1034 PolarHBondContact O-N 2.83Å; Q1034-L1036 PolarHBondContact O-N 2.8Å; Q1034-R1037 PolarHBondContact O-N 3.36Å; Q1034-D1038 PolarHBondContact NE2-OD1 3.18Å; Q1034-D1038 WeakPolarHBondContact O-CB 3.23Å; Q1034-D1038 PolarHBondContact O-N 3.46Å
1035T81Confident78.9Confident13 Ų1343.4 Ų43.48%0.0825%0.254CS..Hα-helixtrans-60.8-44.6177.7-69.40000113.3S1031 N1032 L1033 R1037 D1038 L1039 R1054 I1058S1031-T1035 WeakPolarHBondContact O-CB 3.22Å; S1031-T1035 PolarHBondContact O-N 3.37Å; S1031-T1035 PolarHBondContact O-OG1 3.39Å; N1032-T1035 WeakPolarHBondContact O-CB 3.42Å; N1032-T1035 PolarHBondContact O-N 3.07Å; L1033-T1035 VanDerWaalsContact C-N 3.29Å; L1033-T1035 PolarHBondContact O-N 3.25Å; T1035-R1037 VanDerWaalsContact C-N 3.33Å; T1035-R1037 PolarHBondContact O-N 3.09Å; T1035-D1038 PolarHBondContact O-N 2.94Å; T1035-L1039 HydrophobicContact CG2-CD1 3.87Å; T1035-L1039 WeakPolarHBondContact O-CB 3.32Å; T1035-L1039 VanDerWaalsContact O-CG 3.3Å; T1035-L1039 WeakPolarHBondContact O-CG 3.18Å; T1035-L1039 PolarHBondContact O-N 3.26Å; T1035-R1054 HydrophobicContact CG2-CB 3.82Å; T1035-R1054 HydrophobicContact CG2-CG 3.8Å; T1035-R1054 PolarHBondContact OG1-NH1 3.25Å; T1035-I1058 HydrophobicContact CG2-CD1 4.29Å; T1035-I1058 HydrophobicContact CG2-CG2 4.21Å
1036L82Confident78.7Confident0 Ų047.7 Ų47.70%027%0.273CS..Hα-helixtrans-58.8-47.1176.1-178.669.4000110.8V935 I938 L939 L1015 N1032 L1033 Q1034 L1039 I1040 I1058 V1062V935-L1036 HydrophobicContact CG2-CD2 4.28Å; I938-L1036 HydrophobicContact CB-CD2 4.31Å; I938-L1036 HydrophobicContact CD1-CD2 3.92Å; I938-L1036 HydrophobicContact CG2-CD1 4.49Å; I938-L1036 HydrophobicContact CG2-CD2 4.04Å; L939-L1036 HydrophobicContact CD2-CD1 4.36Å; L1015-L1036 HydrophobicContact CD1-CD2 4.46Å; L1015-L1036 HydrophobicContact CD2-CD2 4.44Å; N1032-L1036 WeakPolarHBondContact O-CB 3.42Å; N1032-L1036 PolarHBondContact O-N 2.95Å; L1033-L1036 PolarHBondContact O-N 3.04Å; Q1034-L1036 PolarHBondContact O-N 2.8Å; L1036-L1039 PolarHBondContact O-N 3.47Å; L1036-I1040 HydrophobicContact CD1-CD1 3.98Å; L1036-I1040 HydrophobicContact CG-CD1 3.78Å; L1036-I1040 WeakPolarHBondContact O-CB 3.46Å; L1036-I1040 WeakPolarHBondContact O-CD1 3.47Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.49Å; L1036-I1040 PolarHBondContact O-N 3.35Å; L1036-I1058 HydrophobicContact CB-CG2 4.21Å; L1036-I1058 HydrophobicContact CD1-CG2 3.83Å; L1036-V1062 HydrophobicContact CD1-CG2 3.91Å
1037R81.6Confident78.6Confident66 Ų6647.7 Ų47.725%0.24927%0.269CS..Hα-helixtrans-65.8-43.1179.2-169.3174.3-173.9-166.7-3.9112.6D1012 L1015 F1019 L1033 Q1034 T1035 L1039 I1040 N1041D1012-R1037 IonicContact OD1-CZ 3.67Å; D1012-R1037 IonicContact OD1-NE 2.89Å; D1012-R1037 PolarHBondContact OD1-NE 3.38Å; D1012-R1037 IonicContact OD1-NH2 3.35Å; L1015-R1037 HydrophobicContact CD1-CB 4.28Å; L1015-R1037 HydrophobicContact CD1-CG 4.46Å; F1019-R1037 HydrophobicContact CE2-CB 4.42Å; F1019-R1037 HydrophobicContact CZ-CB 3.94Å; F1019-R1037 HydrophobicContact CZ-CG 4.46Å; L1033-R1037 PolarHBondContact O-N 2.97Å; L1033-R1037 VanDerWaalsContact O-N 3.1Å; Q1034-R1037 PolarHBondContact O-N 3.36Å; T1035-R1037 VanDerWaalsContact C-N 3.33Å; T1035-R1037 PolarHBondContact O-N 3.09Å; R1037-L1039 VanDerWaalsContact C-N 3.34Å; R1037-L1039 PolarHBondContact O-N 3.49Å; R1037-I1040 PolarHBondContact O-N 3.09Å; R1037-N1041 WeakPolarHBondContact O-CB 3.49Å; R1037-N1041 PolarHBondContact O-N 3.09Å
1038D82Confident78.2Confident50 Ų5051.8 Ų51.827%0.26730%0.296SS..Hα-helixtrans-59.3-45.9177.6-65.9-12.9000110.8Q1034 T1035 N1041 C1042 R1054Q1034-D1038 PolarHBondContact NE2-OD1 3.18Å; Q1034-D1038 WeakPolarHBondContact O-CB 3.23Å; Q1034-D1038 PolarHBondContact O-N 3.46Å; T1035-D1038 PolarHBondContact O-N 2.94Å; D1038-N1041 PolarHBondContact O-N 3.03Å; D1038-C1042 VanDerWaalsContact O-CB 3.28Å; D1038-C1042 WeakPolarHBondContact O-CB 3.4Å; D1038-C1042 PolarHBondContact O-N 3.41Å; D1038-R1054 IonicContact OD2-CZ 2.98Å; D1038-R1054 IonicContact OD2-NH1 2.9Å; D1038-R1054 PolarHBondContact OD2-NH1 2.98Å; D1038-R1054 IonicContact OD2-NH2 3.58Å; D1038-R1054 PolarHBondContact OD2-NH2 2.91Å
1039L80.1Confident77.8Confident0 Ų056.4 Ų56.40%031%0.306CS..Hα-helixtrans-69.5-36-179.5-70.3171.9000112.4T1035 L1036 R1037 F1047 L1050 I1058 V1059 V1062 R1066T1035-L1039 HydrophobicContact CG2-CD1 3.87Å; T1035-L1039 WeakPolarHBondContact O-CB 3.32Å; T1035-L1039 VanDerWaalsContact O-CG 3.3Å; T1035-L1039 WeakPolarHBondContact O-CG 3.18Å; T1035-L1039 PolarHBondContact O-N 3.26Å; L1036-L1039 PolarHBondContact O-N 3.47Å; R1037-L1039 VanDerWaalsContact C-N 3.34Å; R1037-L1039 PolarHBondContact O-N 3.49Å; L1039-F1047 HydrophobicContact CB-CE2 4.38Å; L1039-F1047 HydrophobicContact CD2-CD2 4.21Å; L1039-F1047 HydrophobicContact CD2-CE2 3.97Å; L1039-L1050 HydrophobicContact CD2-CB 4.29Å; L1039-I1058 HydrophobicContact CD1-CG2 3.91Å; L1039-V1059 HydrophobicContact CD1-CG2 4.01Å; L1039-V1062 HydrophobicContact CB-CB 4.17Å; L1039-V1062 HydrophobicContact CB-CG1 3.86Å; L1039-V1062 HydrophobicContact CB-CG2 4.05Å; L1039-R1066 PolarHBondContact O-NH1 3.44Å; L1039-R1066 VanDerWaalsContact O-NH1 3.12Å
1040I79.5Confident77.6Confident4 Ų456.7 Ų56.72%0.02131%0.306CS..Hα-helixtrans-65.8-39.3176.2-71.9164.4000111.4L1008 L1011 L1015 L1036 R1037 V1062 R1066L1008-I1040 HydrophobicContact CD2-CG2 4.17Å; L1011-I1040 HydrophobicContact CD2-CD1 3.59Å; L1011-I1040 HydrophobicContact CD2-CG1 4.49Å; L1011-I1040 HydrophobicContact CG-CD1 4.16Å; L1015-I1040 HydrophobicContact CD1-CD1 3.75Å; L1036-I1040 HydrophobicContact CD1-CD1 3.98Å; L1036-I1040 HydrophobicContact CG-CD1 3.78Å; L1036-I1040 WeakPolarHBondContact O-CB 3.46Å; L1036-I1040 WeakPolarHBondContact O-CD1 3.47Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.49Å; L1036-I1040 PolarHBondContact O-N 3.35Å; R1037-I1040 PolarHBondContact O-N 3.09Å; I1040-V1062 HydrophobicContact CG1-CG1 4.31Å; I1040-V1062 HydrophobicContact CG1-CG2 4.21Å; I1040-R1066 VanDerWaalsContact O-CZ 3.26Å; I1040-R1066 PolarHBondContact O-NH1 3.13Å
1041N79.1Confident77.3Confident77 Ų7756.8 Ų56.841%0.41231%0.307SS..Hα-helixtrans-93.5-7.7-174.8-70.1-25000114.9D1012 R1037 D1038D1012-N1041 VanDerWaalsContact CG-ND2 3.31Å; D1012-N1041 PolarHBondContact OD1-ND2 3.48Å; R1037-N1041 WeakPolarHBondContact O-CB 3.49Å; R1037-N1041 PolarHBondContact O-N 3.09Å; D1038-N1041 PolarHBondContact O-N 3.03Å
1042C78.6Confident76.6Confident7 Ų756.4 Ų56.45%0.04731%0.308CS..SBendtrans-58149.5-178.6-178.40000113.3D1038 Q1046 F1047 L1050 R1066D1038-C1042 VanDerWaalsContact O-CB 3.28Å; D1038-C1042 WeakPolarHBondContact O-CB 3.4Å; D1038-C1042 PolarHBondContact O-N 3.41Å; C1042-Q1046 WeakPolarHBondContact SG-CB 3.47Å; C1042-F1047 VanDerWaalsContact SG-CA 3.58Å; C1042-F1047 PolarHBondContact SG-N 3.48Å; C1042-L1050 HydrophobicContact CB-CD1 4.17Å; C1042-L1050 WeakPolarHBondContact SG-CD1 3.43Å; C1042-R1066 PolarHBondContact O-NH1 3.24Å; C1042-R1066 PolarHBondContact O-NH2 3.2Å
1043D72.8Confident76.1Confident102 Ų10261.6 Ų61.655%0.54534%0.336SS..  trans-73.1151.3166.8-67.2-38.9000110.6D1045 Q1046 F1047D1043-D1045 PolarHBondContact O-N 3.43Å; D1043-Q1046 HydrophobicContact CB-CG 4.34Å; D1043-Q1046 PolarHBondContact O-N 2.93Å; D1043-Q1046 PolarHBondContact OD2-NE2 2.89Å; D1043-F1047 PolarHBondContact O-N 3.34Å; D1043-F1047 VanDerWaalsContact O-N 3.17Å
1044A68.7Low75.9Confident56 Ų5664.1 Ų64.146%0.46335%0.346SS..THydrogen-bonded Turntrans-54-39.2-179.100000112.5Q1046 F1047 F1068A1044-Q1046 VanDerWaalsContact C-N 3.25Å; A1044-Q1046 PolarHBondContact O-N 3Å; A1044-F1047 PolarHBondContact O-N 3.11Å; A1044-F1068 HydrophobicContact CB-CE1 3.63Å; A1044-F1068 HydrophobicContact CB-CZ 3.96Å
1045D68.8Low75.7Confident142 Ų14262.7 Ų62.776%0.75934%0.343SS*.THydrogen-bonded Turntrans-68.9-21.8179.6-58.7-20.2000113.8D1043D1043-D1045 PolarHBondContact O-N 3.43Å
1046Q74.4Confident75.4Confident92 Ų9266.6 Ų66.643%0.4337%0.368SS..THydrogen-bonded Turntrans-97-17.3-177.2-66.4178.723.300112.3C1042 D1043 A1044 K1049 L1050C1042-Q1046 WeakPolarHBondContact SG-CB 3.47Å; D1043-Q1046 HydrophobicContact CB-CG 4.34Å; D1043-Q1046 PolarHBondContact O-N 2.93Å; D1043-Q1046 PolarHBondContact OD2-NE2 2.89Å; A1044-Q1046 VanDerWaalsContact C-N 3.25Å; A1044-Q1046 PolarHBondContact O-N 3Å; Q1046-K1049 PolarHBondContact O-N 3.4Å; Q1046-K1049 VanDerWaalsContact O-N 3.12Å; Q1046-L1050 HydrophobicContact CB-CD1 4.21Å; Q1046-L1050 PolarHBondContact O-N 2.82Å; Q1046-L1050 VanDerWaalsContact O-N 3.13Å
1047F76.1Confident75.3Confident17 Ų1774.6 Ų74.68%0.07540%0.403CS..Hα-helixtrans-56-49-175.5-172.9-99.8000112.5L1039 C1042 D1043 A1044 K1049 L1050 C1051 V1062 A1063 F1068L1039-F1047 HydrophobicContact CB-CE2 4.38Å; L1039-F1047 HydrophobicContact CD2-CD2 4.21Å; L1039-F1047 HydrophobicContact CD2-CE2 3.97Å; C1042-F1047 VanDerWaalsContact SG-CA 3.58Å; C1042-F1047 PolarHBondContact SG-N 3.48Å; D1043-F1047 PolarHBondContact O-N 3.34Å; D1043-F1047 VanDerWaalsContact O-N 3.17Å; A1044-F1047 PolarHBondContact O-N 3.11Å; F1047-K1049 VanDerWaalsContact C-N 3.25Å; F1047-K1049 PolarHBondContact O-N 3.47Å; F1047-L1050 PolarHBondContact O-N 3.43Å; F1047-C1051 VanDerWaalsContact CE1-SG 3.58Å; F1047-C1051 PolarHBondContact O-N 3.14Å; F1047-C1051 VanDerWaalsContact O-N 3.15Å; F1047-C1051 PolarHBondContact O-SG 3.44Å; F1047-V1062 HydrophobicContact CE2-CB 4.37Å; F1047-V1062 HydrophobicContact CE2-CG1 3.88Å; F1047-A1063 HydrophobicContact CE1-CB 4.07Å; F1047-A1063 HydrophobicContact CZ-CB 3.95Å; F1047-F1068 HydrophobicContact CB-CD2 4.2Å; F1047-F1068 HydrophobicContact CB-CE2 3.9Å; F1047-F1068 HydrophobicContact CB-CZ 4.43Å; F1047-F1068 HydrophobicContact CD1-CB 4.31Å; F1047-F1068 AromaticContact CD1-CD2 3.54Å; F1047-F1068 HydrophobicContact CD1-CD2 3.54Å; F1047-F1068 HydrophobicContact CD1-CE2 4.09Å; F1047-F1068 HydrophobicContact CD1-CG 4.15Å; F1047-F1068 AromaticContact CD2-CD2 3.71Å; F1047-F1068 HydrophobicContact CD2-CD2 3.71Å; F1047-F1068 AromaticContact CD2-CE2 3.57Å; F1047-F1068 HydrophobicContact CD2-CE2 3.57Å; F1047-F1068 HydrophobicContact CE1-CB 4.22Å; F1047-F1068 AromaticContact CE1-CD2 3.71Å; F1047-F1068 HydrophobicContact CE1-CD2 3.71Å; F1047-F1068 HydrophobicContact CE1-CG 4.37Å; F1047-F1068 AromaticContact CE2-CD2 3.87Å; F1047-F1068 HydrophobicContact CE2-CD2 3.87Å; F1047-F1068 HydrophobicContact CE2-CE2 4.06Å; F1047-F1068 AromaticContact CG-CD2 3.54Å; F1047-F1068 HydrophobicContact CG-CD2 3.54Å; F1047-F1068 AromaticContact CG-CE2 3.59Å; F1047-F1068 HydrophobicContact CG-CE2 3.59Å; F1047-F1068 HydrophobicContact CG-CG 4.45Å; F1047-F1068 AromaticContact CZ-CD2 3.87Å; F1047-F1068 HydrophobicContact CZ-CD2 3.87Å
1048P71Confident75.2Confident94 Ų9471.8 Ų71.861%0.6139%0.393SS*.Hα-helixtrans-62.9-32.1-179.7-18.931.5000113.2
1049K72.2Confident75Confident173 Ų17370.3 Ų70.375%0.75239%0.386SS*.Hα-helixtrans-72.9-34.2-179.6-65.7178.1-178.8171.10111.9Q1046 F1047Q1046-K1049 PolarHBondContact O-N 3.4Å; Q1046-K1049 VanDerWaalsContact O-N 3.12Å; F1047-K1049 VanDerWaalsContact C-N 3.25Å; F1047-K1049 PolarHBondContact O-N 3.47Å
1050L72.5Confident74.9Confident57 Ų5775.1 Ų75.130%0.29841%0.411SS..Hα-helixtrans-83.9-19.1-178.7-75.2160000113L1039 C1042 Q1046 F1047 R1054L1039-L1050 HydrophobicContact CD2-CB 4.29Å; C1042-L1050 HydrophobicContact CB-CD1 4.17Å; C1042-L1050 WeakPolarHBondContact SG-CD1 3.43Å; Q1046-L1050 HydrophobicContact CB-CD1 4.21Å; Q1046-L1050 PolarHBondContact O-N 2.82Å; Q1046-L1050 VanDerWaalsContact O-N 3.13Å; F1047-L1050 PolarHBondContact O-N 3.43Å; L1050-R1054 WeakPolarHBondContact O-CD 3.39Å; L1050-R1054 WeakPolarHBondContact O-CG 3.4Å; L1050-R1054 PolarHBondContact O-NE 3.12Å; L1050-R1054 VanDerWaalsContact O-NE 3.15Å
1051C73.6Confident74.7Confident25 Ų2575.5 Ų75.517%0.16942%0.415CS..SBendtrans-73.1-22.9-179.3-70.90000114.8F1047 D1053 R1054 V1059F1047-C1051 VanDerWaalsContact CE1-SG 3.58Å; F1047-C1051 PolarHBondContact O-N 3.14Å; F1047-C1051 VanDerWaalsContact O-N 3.15Å; F1047-C1051 PolarHBondContact O-SG 3.44Å; C1051-D1053 VanDerWaalsContact C-N 3.34Å; C1051-D1053 PolarHBondContact O-N 3.42Å; C1051-R1054 PolarHBondContact O-N 3.25Å; C1051-V1059 HydrophobicContact CB-CG1 3.94Å; C1051-V1059 HydrophobicContact CB-CG2 4.27Å; C1051-V1059 VanDerWaalsContact SG-CG1 3.53Å
1052A67.1Low74.6Confident80 Ų8071.8 Ų71.866%0.66140%0.396SS*.THydrogen-bonded Turntrans-61.2-35-168.600000114.7
1053D71.5Confident74.3Confident162 Ų16272.3 Ų72.387%0.86640%0.4SS*.THydrogen-bonded Turntrans-110.712.9-174.2-65-33.5000113.3C1051C1051-D1053 VanDerWaalsContact C-N 3.34Å; C1051-D1053 PolarHBondContact O-N 3.42Å
1054R78.1Confident74.5Confident55 Ų5572.1 Ų72.121%0.20840%0.399CS..SBendtrans-113.1154.7-170.1-68.4-175.5-168.9-102.918.6112.5T1035 D1038 L1050 C1051 V1059T1035-R1054 HydrophobicContact CG2-CB 3.82Å; T1035-R1054 HydrophobicContact CG2-CG 3.8Å; T1035-R1054 PolarHBondContact OG1-NH1 3.25Å; D1038-R1054 IonicContact OD2-CZ 2.98Å; D1038-R1054 IonicContact OD2-NH1 2.9Å; D1038-R1054 PolarHBondContact OD2-NH1 2.98Å; D1038-R1054 IonicContact OD2-NH2 3.58Å; D1038-R1054 PolarHBondContact OD2-NH2 2.91Å; L1050-R1054 WeakPolarHBondContact O-CD 3.39Å; L1050-R1054 WeakPolarHBondContact O-CG 3.4Å; L1050-R1054 PolarHBondContact O-NE 3.12Å; L1050-R1054 VanDerWaalsContact O-NE 3.15Å; C1051-R1054 PolarHBondContact O-N 3.25Å; R1054-V1059 HydrophobicContact CB-CG2 4Å
1055P78.3Confident74.9Confident45 Ų4569.7 Ų69.729%0.29238%0.378SS..  trans-60.4127.9-175.5-23.533.7000112.4K1057 I1058 V1059P1055-K1057 PolarHBondContact O-N 3.28Å; P1055-K1057 VanDerWaalsContact O-N 3.14Å; P1055-I1058 HydrophobicContact CB-CD1 4.15Å; P1055-I1058 HydrophobicContact CB-CG1 4.25Å; P1055-I1058 HydrophobicContact CG-CD1 4.05Å; P1055-I1058 PolarHBondContact O-N 2.94Å; P1055-V1059 PolarHBondContact O-N 3.31Å; P1055-V1059 VanDerWaalsContact O-N 3.07Å
1056P76.4Confident75Confident94 Ų9465.3 Ų65.361%0.6135%0.351SS*.Hα-helixtrans-63.1-29.6-171.823.8-34.3000112.9I1058 V1059 N1060P1056-I1058 VanDerWaalsContact C-N 3.33Å; P1056-I1058 PolarHBondContact O-N 3.31Å; P1056-V1059 PolarHBondContact O-N 3.37Å; P1056-N1060 WeakPolarHBondContact O-CB 3.5Å; P1056-N1060 PolarHBondContact O-N 3.14Å; P1056-N1060 PolarHBondContact O-OD1 2.99Å
1057K79.4Confident74.5Confident169 Ų16963.4 Ų63.474%0.73536%0.356SS*.Hα-helixtrans-60.5-42.5174.7-68.5-175.1178.7-1800112.1P1055 A1061P1055-K1057 PolarHBondContact O-N 3.28Å; P1055-K1057 VanDerWaalsContact O-N 3.14Å; K1057-A1061 WeakPolarHBondContact O-CB 3.49Å; K1057-A1061 PolarHBondContact O-N 3.27Å
1058I78.6Confident74.1Confident6 Ų668.6 Ų68.63%0.03138%0.378CS..Hα-helixtrans-74-44.2-179.8-57.9177.3000109.1V935 L939 N1032 T1035 L1036 L1039 P1055 P1056 N1060 A1061 V1062V935-I1058 HydrophobicContact CG1-CD1 4.43Å; L939-I1058 HydrophobicContact CD1-CG1 4.4Å; L939-I1058 HydrophobicContact CD2-CG1 4.39Å; N1032-I1058 HydrophobicContact CB-CD1 4.11Å; T1035-I1058 HydrophobicContact CG2-CD1 4.29Å; T1035-I1058 HydrophobicContact CG2-CG2 4.21Å; L1036-I1058 HydrophobicContact CB-CG2 4.21Å; L1036-I1058 HydrophobicContact CD1-CG2 3.83Å; L1039-I1058 HydrophobicContact CD1-CG2 3.91Å; P1055-I1058 HydrophobicContact CB-CD1 4.15Å; P1055-I1058 HydrophobicContact CB-CG1 4.25Å; P1055-I1058 HydrophobicContact CG-CD1 4.05Å; P1055-I1058 PolarHBondContact O-N 2.94Å; P1056-I1058 VanDerWaalsContact C-N 3.33Å; P1056-I1058 PolarHBondContact O-N 3.31Å; I1058-N1060 PolarHBondContact O-N 3.23Å; I1058-A1061 PolarHBondContact O-N 3.5Å; I1058-V1062 HydrophobicContact CG2-CG2 4.23Å; I1058-V1062 VanDerWaalsContact O-CG2 3.3Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.43Å; I1058-V1062 PolarHBondContact O-N 3.17Å
1059V78.4Confident74.2Confident19 Ų1967.3 Ų67.312%0.11537%0.367CS..Hα-helixtrans-56.4-50.5177.9172.90000111.4L1039 C1051 R1054 P1055 P1056 A1061 V1062 A1063L1039-V1059 HydrophobicContact CD1-CG2 4.01Å; C1051-V1059 HydrophobicContact CB-CG1 3.94Å; C1051-V1059 HydrophobicContact CB-CG2 4.27Å; C1051-V1059 VanDerWaalsContact SG-CG1 3.53Å; R1054-V1059 HydrophobicContact CB-CG2 4Å; P1055-V1059 PolarHBondContact O-N 3.31Å; P1055-V1059 VanDerWaalsContact O-N 3.07Å; P1056-V1059 PolarHBondContact O-N 3.37Å; V1059-A1061 PolarHBondContact O-N 2.65Å; V1059-V1062 PolarHBondContact O-N 2.81Å; V1059-A1063 WeakPolarHBondContact O-CB 3.2Å; V1059-A1063 PolarHBondContact O-N 2.99Å
1060N77.7Confident74.3Confident101 Ų10161.7 Ų61.754%0.5435%0.346SS..Hα-helixtrans-65-40.8-178.6-70-2000112.5P1056 I1058 A1063 N1064P1056-N1060 WeakPolarHBondContact O-CB 3.5Å; P1056-N1060 PolarHBondContact O-N 3.14Å; P1056-N1060 PolarHBondContact O-OD1 2.99Å; I1058-N1060 PolarHBondContact O-N 3.23Å; N1060-A1063 PolarHBondContact O-N 3.22Å; N1060-N1064 WeakPolarHBondContact O-CB 3.31Å; N1060-N1064 PolarHBondContact O-N 3.46Å; N1060-N1064 PolarHBondContact O-ND2 3.3Å
1061A75.8Confident74.4Confident12 Ų1262 Ų6210%0.09935%0.349CS..Hα-helixtrans-66.2-41.6177.800000111.8L939 K1057 I1058 V1059 N1064 F1065L939-A1061 HydrophobicContact CB-CB 4.44Å; L939-A1061 HydrophobicContact CD2-CB 3.29Å; L939-A1061 HydrophobicContact CG-CB 4.43Å; K1057-A1061 WeakPolarHBondContact O-CB 3.49Å; K1057-A1061 PolarHBondContact O-N 3.27Å; I1058-A1061 PolarHBondContact O-N 3.5Å; V1059-A1061 PolarHBondContact O-N 2.65Å; A1061-N1064 WeakPolarHBondContact O-CB 3.28Å; A1061-N1064 PolarHBondContact O-N 3.21Å; A1061-F1065 HydrophobicContact CB-CE2 4.44Å; A1061-F1065 HydrophobicContact CB-CZ 4.36Å; A1061-F1065 WeakPolarHBondContact O-CD1 3.42Å; A1061-F1065 WeakPolarHBondContact O-CD2 3.1Å; A1061-F1065 WeakPolarHBondContact O-CG 3.21Å; A1061-F1065 PolarHBondContact O-N 3.42Å
1062V75.9Confident74.5Confident0 Ų064.2 Ų64.20%036%0.36CS..Hα-helixtrans-70.2-36.7177.7-179.50000111.5L1036 L1039 I1040 F1047 I1058 V1059 N1064 F1065 R1066L1036-V1062 HydrophobicContact CD1-CG2 3.91Å; L1039-V1062 HydrophobicContact CB-CB 4.17Å; L1039-V1062 HydrophobicContact CB-CG1 3.86Å; L1039-V1062 HydrophobicContact CB-CG2 4.05Å; I1040-V1062 HydrophobicContact CG1-CG1 4.31Å; I1040-V1062 HydrophobicContact CG1-CG2 4.21Å; F1047-V1062 HydrophobicContact CE2-CB 4.37Å; F1047-V1062 HydrophobicContact CE2-CG1 3.88Å; I1058-V1062 HydrophobicContact CG2-CG2 4.23Å; I1058-V1062 VanDerWaalsContact O-CG2 3.3Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.43Å; I1058-V1062 PolarHBondContact O-N 3.17Å; V1059-V1062 PolarHBondContact O-N 2.81Å; V1062-N1064 VanDerWaalsContact C-N 3.32Å; V1062-N1064 PolarHBondContact O-N 3.25Å; V1062-F1065 PolarHBondContact O-N 3.2Å; V1062-R1066 HydrophobicContact CG1-CG 4.33Å; V1062-R1066 WeakPolarHBondContact O-CG 3.41Å; V1062-R1066 PolarHBondContact O-N 3.05Å
1063A74.2Confident74.9Confident17 Ų1763.2 Ų63.214%0.1434%0.341CS..Hα-helixtrans-57.4-47.1171.500000110.7F1047 V1059 N1060 F1065 R1066 G1067 F1068F1047-A1063 HydrophobicContact CE1-CB 4.07Å; F1047-A1063 HydrophobicContact CZ-CB 3.95Å; V1059-A1063 WeakPolarHBondContact O-CB 3.2Å; V1059-A1063 PolarHBondContact O-N 2.99Å; N1060-A1063 PolarHBondContact O-N 3.22Å; A1063-F1065 PolarHBondContact O-N 3.36Å; A1063-R1066 PolarHBondContact O-N 3.49Å; A1063-G1067 PolarHBondContact O-N 3.31Å; A1063-F1068 HydrophobicContact CB-CB 4.48Å; A1063-F1068 PolarHBondContact O-N 2.82Å; A1063-F1068 VanDerWaalsContact O-N 3.11Å
1064N76.5Confident75.2Confident98 Ų9856.6 Ų56.652%0.52431%0.306SS..Hα-helixtrans-61-41.3174.8-69.5-14.1000112.6L1002 N1060 A1061 V1062 R1066L1002-N1064 HydrophobicContact CD1-CB 4.02Å; N1060-N1064 WeakPolarHBondContact O-CB 3.31Å; N1060-N1064 PolarHBondContact O-N 3.46Å; N1060-N1064 PolarHBondContact O-ND2 3.3Å; A1061-N1064 WeakPolarHBondContact O-CB 3.28Å; A1061-N1064 PolarHBondContact O-N 3.21Å; V1062-N1064 VanDerWaalsContact C-N 3.32Å; V1062-N1064 PolarHBondContact O-N 3.25Å; N1064-R1066 VanDerWaalsContact C-N 3.3Å; N1064-R1066 PolarHBondContact O-N 3.06Å
1065F77.1Confident75Confident5 Ų556.7 Ų56.72%0.02231%0.313CS..Hα-helixtrans-63.8-35.4178.4-64.1-22.5000113.1I938 I941 L1003 L1008 A1061 V1062 A1063I938-F1065 HydrophobicContact CG2-CE2 4.31Å; I938-F1065 VanDerWaalsContact O-CZ 3.23Å; I938-F1065 WeakPolarHBondContact O-CZ 3.16Å; I941-F1065 HydrophobicContact CB-CE1 4.13Å; I941-F1065 HydrophobicContact CB-CZ 4.17Å; I941-F1065 VanDerWaalsContact O-CE1 3.32Å; I941-F1065 WeakPolarHBondContact O-CE1 3.1Å; L1003-F1065 HydrophobicContact CB-CB 4.26Å; L1003-F1065 WeakPolarHBondContact CB-O 3.35Å; L1003-F1065 HydrophobicContact CD1-CD1 4.25Å; L1003-F1065 PolarHBondContact N-O 3.24Å; L1008-F1065 HydrophobicContact CD2-CB 4.39Å; A1061-F1065 HydrophobicContact CB-CE2 4.44Å; A1061-F1065 HydrophobicContact CB-CZ 4.36Å; A1061-F1065 WeakPolarHBondContact O-CD1 3.42Å; A1061-F1065 WeakPolarHBondContact O-CD2 3.1Å; A1061-F1065 WeakPolarHBondContact O-CG 3.21Å; A1061-F1065 PolarHBondContact O-N 3.42Å; V1062-F1065 PolarHBondContact O-N 3.2Å; A1063-F1065 PolarHBondContact O-N 3.36Å
1066R71.1Confident74.7Confident51 Ų5157.6 Ų57.619%0.19231%0.314CS..Hα-helixtrans-98.4-7.4-174.5-60.3-16974.1179.72.3113.8L1001 L1008 L1039 I1040 C1042 V1062 A1063 N1064 F1068L1001-R1066 VanDerWaalsContact CD2-O 3.31Å; L1001-R1066 WeakPolarHBondContact CD2-O 3.41Å; L1008-R1066 HydrophobicContact CD1-CG 4.01Å; L1008-R1066 HydrophobicContact CD2-CG 4.13Å; L1039-R1066 PolarHBondContact O-NH1 3.44Å; L1039-R1066 VanDerWaalsContact O-NH1 3.12Å; I1040-R1066 VanDerWaalsContact O-CZ 3.26Å; I1040-R1066 PolarHBondContact O-NH1 3.13Å; C1042-R1066 PolarHBondContact O-NH1 3.24Å; C1042-R1066 PolarHBondContact O-NH2 3.2Å; V1062-R1066 HydrophobicContact CG1-CG 4.33Å; V1062-R1066 WeakPolarHBondContact O-CG 3.41Å; V1062-R1066 PolarHBondContact O-N 3.05Å; A1063-R1066 PolarHBondContact O-N 3.49Å; N1064-R1066 VanDerWaalsContact C-N 3.3Å; N1064-R1066 PolarHBondContact O-N 3.06Å; R1066-F1068 HydrophobicContact CB-CD2 3.7Å; R1066-F1068 HydrophobicContact CB-CE2 3.63Å; R1066-F1068 HydrophobicContact CB-CG 4.21Å; R1066-F1068 HydrophobicContact CB-CZ 4.06Å; R1066-F1068 HydrophobicContact CG-CE2 4.22Å
1067G64Low74.6Confident51 Ų5154.6 Ų54.653%0.52629%0.29SS..THydrogen-bonded Turntrans66.739-177.700000112.5A1063A1063-G1067 PolarHBondContact O-N 3.31Å
1068F65.9Low74.1Confident126 Ų12644.2 Ų44.255%0.55325%0.249SC*.  trans-87.60177.3-70.5-40.3000113.5A1044 F1047 A1063 R1066A1044-F1068 HydrophobicContact CB-CE1 3.63Å; A1044-F1068 HydrophobicContact CB-CZ 3.96Å; F1047-F1068 HydrophobicContact CB-CD2 4.2Å; F1047-F1068 HydrophobicContact CB-CE2 3.9Å; F1047-F1068 HydrophobicContact CB-CZ 4.43Å; F1047-F1068 HydrophobicContact CD1-CB 4.31Å; F1047-F1068 AromaticContact CD1-CD2 3.54Å; F1047-F1068 HydrophobicContact CD1-CD2 3.54Å; F1047-F1068 HydrophobicContact CD1-CE2 4.09Å; F1047-F1068 HydrophobicContact CD1-CG 4.15Å; F1047-F1068 AromaticContact CD2-CD2 3.71Å; F1047-F1068 HydrophobicContact CD2-CD2 3.71Å; F1047-F1068 AromaticContact CD2-CE2 3.57Å; F1047-F1068 HydrophobicContact CD2-CE2 3.57Å; F1047-F1068 HydrophobicContact CE1-CB 4.22Å; F1047-F1068 AromaticContact CE1-CD2 3.71Å; F1047-F1068 HydrophobicContact CE1-CD2 3.71Å; F1047-F1068 HydrophobicContact CE1-CG 4.37Å; F1047-F1068 AromaticContact CE2-CD2 3.87Å; F1047-F1068 HydrophobicContact CE2-CD2 3.87Å; F1047-F1068 HydrophobicContact CE2-CE2 4.06Å; F1047-F1068 AromaticContact CG-CD2 3.54Å; F1047-F1068 HydrophobicContact CG-CD2 3.54Å; F1047-F1068 AromaticContact CG-CE2 3.59Å; F1047-F1068 HydrophobicContact CG-CE2 3.59Å; F1047-F1068 HydrophobicContact CG-CG 4.45Å; F1047-F1068 AromaticContact CZ-CD2 3.87Å; F1047-F1068 HydrophobicContact CZ-CD2 3.87Å; A1063-F1068 HydrophobicContact CB-CB 4.48Å; A1063-F1068 PolarHBondContact O-N 2.82Å; A1063-F1068 VanDerWaalsContact O-N 3.11Å; R1066-F1068 HydrophobicContact CB-CD2 3.7Å; R1066-F1068 HydrophobicContact CB-CE2 3.63Å; R1066-F1068 HydrophobicContact CB-CG 4.21Å; R1066-F1068 HydrophobicContact CB-CZ 4.06Å; R1066-F1068 HydrophobicContact CG-CE2 4.22Å

Retrieved 1,068 of 1,068 residues in 1291 ms (Link to these results)

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