A0A060W2N3_ONCMY Loading...

Translocon Sec61/SecY plug domain-containing protein

AlphaFold DB , UniProt , Accession A0A060W2N3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110527938, Length 476 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
1M36.2Very low53.3Low245 Ų245100.5 Ų100.5100%1.20754%0.536SS*.  084.10-79.2-175.9-10800107.9
2G40.3Very low53.9Low72 Ų72102.8 Ų102.874%0.74254%0.538SS*.  trans-75123.2172.100000108K4G2-K4 PolarHBondContact O-N 3.35Å
3I40.9Very low54.4Low152 Ų15297.4 Ų97.478%0.77951%0.513SS*.  trans-51.7114.2168.1-63.1167.4000105.7F5 V8I3-F5 VanDerWaalsContact C-N 3.32Å; I3-F5 PolarHBondContact O-N 3.38Å; I3-V8 HydrophobicContact CG2-CG2 4.34Å
4K55Low54.8Low117 Ų11796.7 Ų96.751%0.50953%0.528SS..  trans-62.2101.3174.9-75.8-176.8177.7-174.40106G2 L6 E7G2-K4 PolarHBondContact O-N 3.35Å; K4-L6 PolarHBondContact O-N 3.49Å; K4-E7 HydrophobicContact CB-CB 4.32Å; K4-E7 HydrophobicContact CB-CG 3.95Å; K4-E7 HydrophobicContact CD-CG 4.4Å; K4-E7 WeakPolarHBondContact O-CB 3.47Å; K4-E7 PolarHBondContact O-N 3.46Å
5F55.1Low55.5Low109 Ų10998.5 Ų98.548%0.47854%0.543SS..Hα-helixtrans-49.1-30.5174-172.4-104.2000111.2I3 E7 V8 I9 F119I3-F5 VanDerWaalsContact C-N 3.32Å; I3-F5 PolarHBondContact O-N 3.38Å; F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 3.16Å; F5-V8 PolarHBondContact O-N 3.49Å; F5-I9 HydrophobicContact CD1-CD1 3.8Å; F5-I9 HydrophobicContact CE1-CD1 3.64Å; F5-I9 HydrophobicContact CZ-CD1 4.43Å; F5-F119 HydrophobicContact CE1-CE2 4.08Å; F5-F119 HydrophobicContact CE1-CZ 4.05Å; F5-F119 HydrophobicContact CZ-CZ 4.13Å
6L55.6Low56.4Low14 Ų1494.1 Ų94.17%0.07352%0.518CS..Hα-helixtrans-61.2-27.5172.6-65.3165.2000114.9K4 L111K4-L6 PolarHBondContact O-N 3.49Å; L6-L111 HydrophobicContact CB-CD1 4.39Å; L6-L111 HydrophobicContact CD2-CB 4.05Å
7E57.7Low57.4Low105 Ų10592.2 Ų92.249%0.49151%0.511SS..Hα-helixtrans-81.3-27.5177.6-72-172.9156.700113.2K4 F5 I9 K10K4-E7 HydrophobicContact CB-CB 4.32Å; K4-E7 HydrophobicContact CB-CG 3.95Å; K4-E7 HydrophobicContact CD-CG 4.4Å; K4-E7 WeakPolarHBondContact O-CB 3.47Å; K4-E7 PolarHBondContact O-N 3.46Å; F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 3.16Å; E7-I9 PolarHBondContact O-N 3.28Å; E7-K10 PolarHBondContact O-N 3.47Å; E7-K10 IonicContact OE1-NZ 3.81Å
8V60.9Low58.2Low88 Ų8894.3 Ų94.353%0.53352%0.517SS..Hα-helixtrans-68.8-26.8172.9179.60000111.3I3 F5 P11I3-V8 HydrophobicContact CG2-CG2 4.34Å; F5-V8 PolarHBondContact O-N 3.49Å; V8-P11 WeakPolarHBondContact O-CD 3.45Å
9I61.1Low59.3Low14 Ų1491.3 Ų91.37%0.07250%0.499CS..Hα-helixtrans-85.8-19.3-178.2-64.8170.7000112.6F5 E7 P11 F12 C13 A115 L118 F119F5-I9 HydrophobicContact CD1-CD1 3.8Å; F5-I9 HydrophobicContact CE1-CD1 3.64Å; F5-I9 HydrophobicContact CZ-CD1 4.43Å; E7-I9 PolarHBondContact O-N 3.28Å; I9-P11 VanDerWaalsContact C-CD 3.49Å; I9-F12 PolarHBondContact O-N 3.12Å; I9-C13 PolarHBondContact O-N 3.39Å; I9-A115 HydrophobicContact CD1-CB 3.9Å; I9-A115 HydrophobicContact CG2-CB 4.28Å; I9-L118 HydrophobicContact CG2-CD1 4.02Å; I9-F119 HydrophobicContact CD1-CE2 4.42Å
10K61.9Low60.1Low105 Ų10594.5 Ų94.546%0.45751%0.511SS..Hα-helixtrans-47.1-47.4178.4-89.2179.2177.5167.40115.5E7 F12 C13 L111E7-K10 PolarHBondContact O-N 3.47Å; E7-K10 IonicContact OE1-NZ 3.81Å; K10-F12 VanDerWaalsContact C-N 3.27Å; K10-F12 PolarHBondContact O-N 2.92Å; K10-C13 PolarHBondContact O-N 3.42Å; K10-L111 HydrophobicContact CG-CD2 3.77Å
11P61.8Low60.8Low85 Ų8596.7 Ų96.755%0.55252%0.516SS*.Hα-helixtrans-65.4-30.9179.923.7-33.5000112.7V8 I9V8-P11 WeakPolarHBondContact O-CD 3.45Å; I9-P11 VanDerWaalsContact C-CD 3.49Å
12F60.7Low62.7Low128 Ų12887 Ų8756%0.56147%0.471SS*.Hα-helixtrans-78.6-30.8177.8-64.4-79.5000112.6I9 K10 A14 V15 L118I9-F12 PolarHBondContact O-N 3.12Å; K10-F12 VanDerWaalsContact C-N 3.27Å; K10-F12 PolarHBondContact O-N 2.92Å; F12-A14 PolarHBondContact O-N 2.86Å; F12-V15 PolarHBondContact O-N 3.36Å; F12-L118 HydrophobicContact CB-CD1 3.37Å; F12-L118 HydrophobicContact CG-CD1 4.18Å
13C59.8Low64.2Low32 Ų3292.6 Ų92.622%0.21648%0.478CS..Hα-helixtrans-60.8-26.7173-75.60000113.4I9 K10 V15I9-C13 PolarHBondContact O-N 3.39Å; K10-C13 PolarHBondContact O-N 3.42Å; C13-V15 VanDerWaalsContact C-N 3.29Å; C13-V15 PolarHBondContact O-N 3.28Å
14A59.5Low65.9Low88 Ų8895.5 Ų95.573%0.72748%0.479SS*.THydrogen-bonded Turntrans-72.6-20.517900000113.8F12F12-A14 PolarHBondContact O-N 2.86Å
15V65.6Low66.8Low124 Ų124100 Ų10075%0.75250%0.499SS*.THydrogen-bonded Turntrans-94.1-17.4-178.9-176.90000111.5F12 C13F12-V15 PolarHBondContact O-N 3.36Å; C13-V15 VanDerWaalsContact C-N 3.29Å; C13-V15 PolarHBondContact O-N 3.28Å
16L70.3Confident67.9Low27 Ų2796.1 Ų96.114%0.14148%0.482CS..SBendtrans-73.7129.8-177.8-67.8170.9000110.4E18 L118 M121L16-E18 PolarHBondContact O-N 2.82Å; L16-L118 HydrophobicContact CD1-CB 3.93Å; L16-L118 HydrophobicContact CD1-CD1 4.35Å; L16-L118 HydrophobicContact CD1-CG 4.4Å; L16-M121 HydrophobicContact CD2-CE 3.5Å; L16-M121 HydrophobicContact CD2-SD 4.05Å
17P72.8Confident69.2Low62 Ų62101.3 Ų101.340%0.40351%0.506SS..  trans-63.9121.1173.125.7-31.5000108.2K117P17-K117 PolarHBondContact O-NZ 3.39Å
18E72.5Confident70.2Confident131 Ų13197.5 Ų97.561%0.61249%0.488SS*.  trans-118.2135.6-178.1-167.1-178.7171.400110.2L16 E167 K171L16-E18 PolarHBondContact O-N 2.82Å; E18-E167 VanDerWaalsContact CG-OE1 3.27Å; E18-E167 WeakPolarHBondContact CG-OE1 3.27Å; E18-K171 VanDerWaalsContact CD-NZ 3.33Å; E18-K171 IonicContact OE1-NZ 3.87Å; E18-K171 PolarHBondContact OE1-NZ 3.17Å
19I78.2Confident71.2Confident36 Ų36103.4 Ų103.419%0.18550%0.501CS..PPolyproline II helixtrans-76.8126.9176.7-64.9179.1000108.8K21 L164 E167 L168 K171 Y173I19-K21 PolarHBondContact O-N 2.99Å; I19-L164 HydrophobicContact CD1-CB 4.32Å; I19-L164 HydrophobicContact CD1-CD2 4.4Å; I19-L164 WeakPolarHBondContact CD1-O 3.27Å; I19-L164 HydrophobicContact CG1-CD2 4.25Å; I19-E167 HydrophobicContact CB-CG 4.4Å; I19-E167 HydrophobicContact CD1-CB 4.25Å; I19-E167 PolarHBondContact N-OE1 2.74Å; I19-L168 HydrophobicContact CD1-CB 3.67Å; I19-L168 HydrophobicContact CD1-CD1 4.48Å; I19-L168 HydrophobicContact CD1-CG 4.46Å; I19-K171 HydrophobicContact CB-CD 4.14Å; I19-K171 HydrophobicContact CG2-CD 4.31Å; I19-K171 WeakPolarHBondContact O-CD 3.14Å; I19-K171 WeakPolarHBondContact O-CE 3.23Å; I19-K171 PolarHBondContact O-NZ 3.39Å; I19-Y173 HydrophobicContact CG2-CE2 4.01Å
20Q75.6Confident72.3Confident156 Ų156107.2 Ų107.273%0.72952%0.518SS*.PPolyproline II helixtrans-67.8134178.2-70.9-177.5-6.500110.9Y173Q20-Y173 WeakPolarHBondContact O-CE2 3.48Å; Q20-Y173 PolarHBondContact O-OH 2.77Å
21K76.2Confident73.4Confident140 Ų140103.9 Ų103.961%0.60950%0.504SS*.PPolyproline II helixtrans-62140.5172.2-68-178.1-177.51780108.6I19 E23 K171I19-K21 PolarHBondContact O-N 2.99Å; K21-E23 PolarHBondContact O-N 3.3Å; K21-K171 HydrophobicContact CG-CD 4.11Å; K21-K171 HydrophobicContact CG-CG 4.29Å
22P74.7Confident74.6Confident41 Ų41102.6 Ų102.627%0.26649%0.494SS..PPolyproline II helixtrans-64.5130.6-177.126.9-33.9000110.7R24 I26 K171 Y173P22-R24 PolarHBondContact O-N 2.89Å; P22-I26 HydrophobicContact CB-CD1 3.68Å; P22-I26 HydrophobicContact CB-CG1 3.86Å; P22-I26 HydrophobicContact CG-CD1 3.79Å; P22-I26 HydrophobicContact CG-CG1 4.21Å; P22-K171 WeakPolarHBondContact CD-O 3.07Å; P22-Y173 HydrophobicContact CB-CE1 4.24Å; P22-Y173 HydrophobicContact CB-CE2 4.47Å; P22-Y173 HydrophobicContact CG-CE2 4.38Å
23E72.6Confident75.9Confident191 Ų191101.2 Ų101.289%0.89349%0.492SS*.SBendtrans-67.9-21.9179.3-63.2-174.8164.500112.5K21K21-E23 PolarHBondContact O-N 3.3Å
24R75.6Confident77.2Confident212 Ų212104.3 Ų104.380%0.850%0.5SS*.SBendtrans-123.1151.8178.8-63.5-177.4-179.7-1760.1110.2P22 I26P22-R24 PolarHBondContact O-N 2.89Å; R24-I26 PolarHBondContact O-N 3.38Å; R24-I26 VanDerWaalsContact O-N 3.09Å
25K73.9Confident78.6Confident212 Ų212100.6 Ų100.692%0.92247%0.468SS*.  trans-63.7113.2168.8-71-173.2177.3-1760108.6
26I78.9Confident79.7Confident27 Ų2797.3 Ų97.314%0.13845%0.454CS..  trans-65.7137.3178.5-61.7171.2000108.9P22 R24 E30 K31 Y173P22-I26 HydrophobicContact CB-CD1 3.68Å; P22-I26 HydrophobicContact CB-CG1 3.86Å; P22-I26 HydrophobicContact CG-CD1 3.79Å; P22-I26 HydrophobicContact CG-CG1 4.21Å; R24-I26 PolarHBondContact O-N 3.38Å; R24-I26 VanDerWaalsContact O-N 3.09Å; I26-E30 HydrophobicContact CG2-CB 3.49Å; I26-E30 VanDerWaalsContact CG2-CB 3.49Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.05Å; I26-K31 HydrophobicContact CB-CG 4.19Å; I26-K31 HydrophobicContact CG2-CG 3.76Å; I26-Y173 HydrophobicContact CD1-CD1 3.24Å; I26-Y173 HydrophobicContact CD1-CD2 4.49Å; I26-Y173 HydrophobicContact CD1-CE1 3.63Å; I26-Y173 HydrophobicContact CD1-CG 3.71Å
27Q82.1Confident80.6Confident123 Ų12399.6 Ų99.658%0.57547%0.465SS*.  trans-68.3150.7177.6-64.3-170.89.200110.7R29 E30 K31Q27-R29 VanDerWaalsContact C-N 3.28Å; Q27-R29 PolarHBondContact O-N 2.83Å; Q27-E30 HydrophobicContact CB-CG 4.34Å; Q27-E30 PolarHBondContact N-OE2 3.35Å; Q27-E30 WeakPolarHBondContact O-CB 3.15Å; Q27-E30 PolarHBondContact O-N 3.33Å; Q27-K31 PolarHBondContact O-N 3.23Å
28F79.1Confident81.4Confident25 Ų2596.7 Ų96.711%0.1145%0.447CS..Hα-helixtrans-55.4-41.1-179.6-178.3-102.2000114E30 K31 V32 L175 F461 E464 M468F28-E30 VanDerWaalsContact C-N 3.3Å; F28-E30 PolarHBondContact O-N 3.21Å; F28-K31 WeakPolarHBondContact O-CB 3.31Å; F28-K31 PolarHBondContact O-N 3.41Å; F28-V32 HydrophobicContact CD1-CG2 4.22Å; F28-V32 HydrophobicContact CE1-CG2 3.97Å; F28-V32 HydrophobicContact CZ-CG2 4.27Å; F28-V32 WeakPolarHBondContact O-CG2 3.32Å; F28-V32 PolarHBondContact O-N 2.84Å; F28-L175 HydrophobicContact CD2-CD2 4.17Å; F28-L175 HydrophobicContact CE2-CD2 3.82Å; F28-F461 HydrophobicContact CE1-CD2 4.08Å; F28-F461 HydrophobicContact CE1-CE1 4.18Å; F28-F461 AromaticContact CE1-CE2 3.5Å; F28-F461 HydrophobicContact CE1-CE2 3.5Å; F28-F461 AromaticContact CE1-CZ 3.55Å; F28-F461 HydrophobicContact CE1-CZ 3.55Å; F28-F461 HydrophobicContact CE2-CD2 4.09Å; F28-F461 HydrophobicContact CE2-CE2 4.35Å; F28-F461 HydrophobicContact CE2-CG 4.34Å; F28-F461 HydrophobicContact CZ-CB 4.46Å; F28-F461 AromaticContact CZ-CD1 3.94Å; F28-F461 HydrophobicContact CZ-CD1 3.94Å; F28-F461 AromaticContact CZ-CD2 3.27Å; F28-F461 HydrophobicContact CZ-CD2 3.27Å; F28-F461 AromaticContact CZ-CE1 3.88Å; F28-F461 HydrophobicContact CZ-CE1 3.88Å; F28-F461 AromaticContact CZ-CE2 3.19Å; F28-F461 HydrophobicContact CZ-CE2 3.19Å; F28-F461 AromaticContact CZ-CG 3.63Å; F28-F461 HydrophobicContact CZ-CG 3.63Å; F28-F461 AromaticContact CZ-CZ 3.51Å; F28-F461 HydrophobicContact CZ-CZ 3.51Å; F28-E464 HydrophobicContact CD2-CB 4.06Å; F28-E464 VanDerWaalsContact CD2-OE2 3.26Å; F28-E464 WeakPolarHBondContact CD2-OE2 3.27Å; F28-E464 HydrophobicContact CE2-CB 4.02Å; F28-M468 HydrophobicContact CB-CE 4.08Å; F28-M468 HydrophobicContact CB-SD 3.33Å; F28-M468 WeakPolarHBondContact CB-SD 3.46Å; F28-M468 HydrophobicContact CG-SD 4.1Å
29R82.9Confident82.1Confident213 Ų21392.2 Ų92.280%0.80443%0.427SS*.Hα-helixtrans-61.1-40.2177-68.8-175176.3-175.8-0.9112.2Q27 L33Q27-R29 VanDerWaalsContact C-N 3.28Å; Q27-R29 PolarHBondContact O-N 2.83Å; R29-L33 WeakPolarHBondContact O-CB 3.4Å; R29-L33 PolarHBondContact O-N 2.98Å; R29-L33 VanDerWaalsContact O-N 3.1Å
30E84.6Confident82.6Confident93 Ų9397.5 Ų97.544%0.43545%0.448SS..Hα-helixtrans-67.1-41.2175.8-66.5172.116300110.6I26 Q27 F28 V32 L33 W34I26-E30 HydrophobicContact CG2-CB 3.49Å; I26-E30 VanDerWaalsContact CG2-CB 3.49Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.05Å; Q27-E30 HydrophobicContact CB-CG 4.34Å; Q27-E30 PolarHBondContact N-OE2 3.35Å; Q27-E30 WeakPolarHBondContact O-CB 3.15Å; Q27-E30 PolarHBondContact O-N 3.33Å; F28-E30 VanDerWaalsContact C-N 3.3Å; F28-E30 PolarHBondContact O-N 3.21Å; E30-V32 VanDerWaalsContact C-N 3.35Å; E30-V32 PolarHBondContact O-N 2.89Å; E30-L33 PolarHBondContact O-N 3.47Å; E30-W34 PolarHBondContact O-N 2.97Å
31K84.5Confident83.3Confident35 Ų3593.2 Ų93.215%0.15243%0.43CS..Hα-helixtrans-60-43.5176.3-66.8-172.1-176.2-178.40112.9I26 Q27 F28 L33 W34 T35 Y173 L175 E464I26-K31 HydrophobicContact CB-CG 4.19Å; I26-K31 HydrophobicContact CG2-CG 3.76Å; Q27-K31 PolarHBondContact O-N 3.23Å; F28-K31 WeakPolarHBondContact O-CB 3.31Å; F28-K31 PolarHBondContact O-N 3.41Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-W34 PolarHBondContact O-N 3.07Å; K31-T35 WeakPolarHBondContact O-CB 3.37Å; K31-T35 PolarHBondContact O-N 2.84Å; K31-T35 PolarHBondContact O-OG1 3.41Å; K31-Y173 VanDerWaalsContact CA-O 3.26Å; K31-Y173 WeakPolarHBondContact CA-O 3.43Å; K31-L175 HydrophobicContact CB-CD2 4.39Å; K31-L175 HydrophobicContact CB-CG 4.25Å; K31-L175 HydrophobicContact CD-CD2 4.31Å; K31-E464 IonicContact NZ-OE1 2.71Å; K31-E464 PolarHBondContact NZ-OE1 2.82Å; K31-E464 IonicContact NZ-OE2 2.65Å
32V85.7Confident83.7Confident58 Ų5886.6 Ų86.635%0.35240%0.401SS..Hα-helixtrans-60.8-45.1175.6174.40000110.3F28 E30 T35 A36 L175 F461F28-V32 HydrophobicContact CD1-CG2 4.22Å; F28-V32 HydrophobicContact CE1-CG2 3.97Å; F28-V32 HydrophobicContact CZ-CG2 4.27Å; F28-V32 WeakPolarHBondContact O-CG2 3.32Å; F28-V32 PolarHBondContact O-N 2.84Å; E30-V32 VanDerWaalsContact C-N 3.35Å; E30-V32 PolarHBondContact O-N 2.89Å; V32-T35 WeakPolarHBondContact O-CB 3.28Å; V32-T35 PolarHBondContact O-N 3.33Å; V32-A36 PolarHBondContact O-N 2.85Å; V32-L175 HydrophobicContact CB-CD1 4.44Å; V32-L175 HydrophobicContact CG2-CD1 3.61Å; V32-F461 HydrophobicContact CG2-CE2 4.36Å
33L88.8Confident84.2Confident100 Ų10087.3 Ų87.352%0.52440%0.403SS..Hα-helixtrans-63.6-44.9179.6-177.3143.5000112R29 E30 K31 T35 A36 I37R29-L33 WeakPolarHBondContact O-CB 3.4Å; R29-L33 PolarHBondContact O-N 2.98Å; R29-L33 VanDerWaalsContact O-N 3.1Å; E30-L33 PolarHBondContact O-N 3.47Å; K31-L33 VanDerWaalsContact C-N 3.33Å; L33-T35 VanDerWaalsContact C-N 3.34Å; L33-T35 PolarHBondContact O-N 3.43Å; L33-A36 PolarHBondContact O-N 2.7Å; L33-I37 HydrophobicContact CD2-CD1 3.48Å; L33-I37 VanDerWaalsContact CD2-CD1 3.48Å; L33-I37 HydrophobicContact CD2-CG1 4.42Å; L33-I37 HydrophobicContact CG-CD1 4.26Å; L33-I37 WeakPolarHBondContact O-CG1 3.29Å; L33-I37 PolarHBondContact O-N 3.37Å
34W88.4Confident85Confident96 Ų9681.1 Ų81.136%0.36438%0.377SS..Hα-helixtrans-60.3-44.2173.8-80.4111.5000111.9E30 K31 A36 I37 T38 L168 Y173E30-W34 PolarHBondContact O-N 2.97Å; K31-W34 PolarHBondContact O-N 3.07Å; W34-A36 VanDerWaalsContact C-N 3.32Å; W34-A36 PolarHBondContact O-N 2.96Å; W34-I37 PolarHBondContact O-N 3.21Å; W34-T38 WeakPolarHBondContact O-CG2 3.43Å; W34-T38 PolarHBondContact O-N 3.03Å; W34-T38 PolarHBondContact O-OG1 2.82Å; W34-L168 HydrophobicContact CE3-CD1 4.35Å; W34-L168 HydrophobicContact CE3-CD2 4.28Å; W34-L168 HydrophobicContact CZ3-CD1 4.35Å; W34-Y173 WeakPolarHBondContact CB-O 3.3Å
35T87.4Confident85.3Confident11 Ų1171.8 Ų71.87%0.06734%0.344CS..Hα-helixtrans-59-44.7176.6-53.10000111K31 V32 L33 T38 L39 L169 G174 L175 L181K31-T35 WeakPolarHBondContact O-CB 3.37Å; K31-T35 PolarHBondContact O-N 2.84Å; K31-T35 PolarHBondContact O-OG1 3.41Å; V32-T35 WeakPolarHBondContact O-CB 3.28Å; V32-T35 PolarHBondContact O-N 3.33Å; L33-T35 VanDerWaalsContact C-N 3.34Å; L33-T35 PolarHBondContact O-N 3.43Å; T35-T38 PolarHBondContact O-N 3.19Å; T35-T38 PolarHBondContact O-OG1 3.37Å; T35-L39 WeakPolarHBondContact O-CB 3.33Å; T35-L39 WeakPolarHBondContact O-CG 3.49Å; T35-L39 PolarHBondContact O-N 2.93Å; T35-L169 HydrophobicContact CG2-CD2 4.49Å; T35-G174 WeakPolarHBondContact OG1-CA 3.46Å; T35-L175 PolarHBondContact OG1-N 3.43Å; T35-L175 VanDerWaalsContact OG1-N 3.08Å; T35-L181 HydrophobicContact CG2-CD2 3.46Å; T35-L181 VanDerWaalsContact CG2-CD2 3.46Å
36A88.7Confident85.6Confident54 Ų5461.7 Ų61.745%0.44630%0.301SS..Hα-helixtrans-64.4-41.9177.200000112.8V32 L33 W34 L39 F40V32-A36 PolarHBondContact O-N 2.85Å; L33-A36 PolarHBondContact O-N 2.7Å; W34-A36 VanDerWaalsContact C-N 3.32Å; W34-A36 PolarHBondContact O-N 2.96Å; A36-L39 PolarHBondContact O-N 3.34Å; A36-F40 PolarHBondContact O-N 2.94Å
37I90.3Very high85.6Confident75 Ų7566.2 Ų66.239%0.38532%0.321SS..Hα-helixtrans-62.3-46.7176.8-69.5170.8000110.6L33 W34 L39 F40 I41L33-I37 HydrophobicContact CD2-CD1 3.48Å; L33-I37 VanDerWaalsContact CD2-CD1 3.48Å; L33-I37 HydrophobicContact CD2-CG1 4.42Å; L33-I37 HydrophobicContact CG-CD1 4.26Å; L33-I37 WeakPolarHBondContact O-CG1 3.29Å; L33-I37 PolarHBondContact O-N 3.37Å; W34-I37 PolarHBondContact O-N 3.21Å; I37-L39 VanDerWaalsContact C-N 3.29Å; I37-L39 PolarHBondContact O-N 2.95Å; I37-F40 PolarHBondContact O-N 2.99Å; I37-I41 HydrophobicContact CG2-CD1 3.95Å; I37-I41 WeakPolarHBondContact O-CG1 3.38Å; I37-I41 PolarHBondContact O-N 2.93Å
38T88.7Confident85.7Confident2 Ų263.8 Ų63.81%0.01231%0.311CS..Hα-helixtrans-61.7-38.3178.6560000112.5W34 T35 I41 F42 L165 L168 L169W34-T38 WeakPolarHBondContact O-CG2 3.43Å; W34-T38 PolarHBondContact O-N 3.03Å; W34-T38 PolarHBondContact O-OG1 2.82Å; T35-T38 PolarHBondContact O-N 3.19Å; T35-T38 PolarHBondContact O-OG1 3.37Å; T38-I41 PolarHBondContact O-N 3.5Å; T38-F42 WeakPolarHBondContact O-CB 3.35Å; T38-F42 PolarHBondContact O-N 3.47Å; T38-L165 HydrophobicContact CG2-CD2 3.81Å; T38-L168 HydrophobicContact CG2-CD2 3.78Å; T38-L169 HydrophobicContact CG2-CD2 4.14Å; T38-L169 HydrophobicContact CG2-CG 4.33Å
39L87.8Confident85.8Confident37 Ų3766.9 Ų66.919%0.19433%0.334CS..Hα-helixtrans-65.3-42.3175.8-83.9177000112.2T35 A36 I37 F42 L43 L181 F182 T185T35-L39 WeakPolarHBondContact O-CB 3.33Å; T35-L39 WeakPolarHBondContact O-CG 3.49Å; T35-L39 PolarHBondContact O-N 2.93Å; A36-L39 PolarHBondContact O-N 3.34Å; I37-L39 VanDerWaalsContact C-N 3.29Å; I37-L39 PolarHBondContact O-N 2.95Å; L39-F42 PolarHBondContact O-N 3.36Å; L39-L43 WeakPolarHBondContact O-CB 3.46Å; L39-L43 WeakPolarHBondContact O-CG 3.21Å; L39-L43 PolarHBondContact O-N 3.13Å; L39-L181 HydrophobicContact CD1-CD1 4.12Å; L39-L181 HydrophobicContact CD1-CD2 3.95Å; L39-L181 HydrophobicContact CD1-CG 4.11Å; L39-L181 HydrophobicContact CD2-CD1 4.42Å; L39-L181 HydrophobicContact CD2-CD2 3.81Å; L39-L181 HydrophobicContact CD2-CG 3.67Å; L39-L181 HydrophobicContact CG-CD2 3.69Å; L39-L181 HydrophobicContact CG-CG 4.03Å; L39-F182 HydrophobicContact CD2-CD1 4.39Å; L39-T185 HydrophobicContact CD2-CG2 4.18Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.21Å
40F89.2Confident85.6Confident146 Ų14657.2 Ų57.264%0.6430%0.298SS*.Hα-helixtrans-63.7-43.8178.5-172.1-98.7000111.6A36 I37 F42 L43 V44A36-F40 PolarHBondContact O-N 2.94Å; I37-F40 PolarHBondContact O-N 2.99Å; F40-F42 VanDerWaalsContact C-N 3.32Å; F40-F42 PolarHBondContact O-N 3.18Å; F40-L43 PolarHBondContact O-N 3.44Å; F40-V44 HydrophobicContact CD1-CG2 4.08Å; F40-V44 HydrophobicContact CE1-CG2 3.71Å; F40-V44 HydrophobicContact CE2-CG2 4.47Å; F40-V44 HydrophobicContact CZ-CG2 3.93Å; F40-V44 VanDerWaalsContact O-CG2 3.3Å; F40-V44 WeakPolarHBondContact O-CG2 3.3Å; F40-V44 PolarHBondContact O-N 3.43Å
41I89.1Confident85.1Confident67 Ų6758.9 Ų58.934%0.34430%0.304SS..Hα-helixtrans-59.3-46.3174.7-64.7167.4000110.3I37 T38 L43 V44 C45 L165I37-I41 HydrophobicContact CG2-CD1 3.95Å; I37-I41 WeakPolarHBondContact O-CG1 3.38Å; I37-I41 PolarHBondContact O-N 2.93Å; T38-I41 PolarHBondContact O-N 3.5Å; I41-L43 PolarHBondContact O-N 3.42Å; I41-V44 PolarHBondContact O-N 3.22Å; I41-C45 PolarHBondContact O-N 3.35Å; I41-C45 PolarHBondContact O-SG 3.17Å; I41-C45 VanDerWaalsContact O-SG 3.34Å; I41-L165 HydrophobicContact CB-CD1 4.4Å; I41-L165 HydrophobicContact CD1-CD2 4.33Å; I41-L165 HydrophobicContact CG2-CD1 3.92Å
42F85.9Confident84.2Confident0 Ų058.3 Ų58.30%031%0.308CS..Hα-helixtrans-58.7-48.7177.9179.2-100.2000112T38 L39 F40 V44 C45 C46 A70 M77 F182T38-F42 WeakPolarHBondContact O-CB 3.35Å; T38-F42 PolarHBondContact O-N 3.47Å; L39-F42 PolarHBondContact O-N 3.36Å; F40-F42 VanDerWaalsContact C-N 3.32Å; F40-F42 PolarHBondContact O-N 3.18Å; F42-V44 PolarHBondContact O-N 3.38Å; F42-C45 WeakPolarHBondContact O-CB 3.42Å; F42-C45 PolarHBondContact O-N 3.15Å; F42-C46 PolarHBondContact O-N 3.13Å; F42-C46 PolarHBondContact O-SG 3.43Å; F42-C46 VanDerWaalsContact O-SG 3.39Å; F42-A70 HydrophobicContact CZ-CB 4.07Å; F42-M77 HydrophobicContact CD2-CE 3.64Å; F42-M77 HydrophobicContact CD2-SD 4.22Å; F42-M77 HydrophobicContact CE2-CE 4.03Å; F42-M77 HydrophobicContact CE2-SD 3.98Å; F42-F182 HydrophobicContact CB-CD1 3.99Å; F42-F182 HydrophobicContact CB-CE1 3.84Å; F42-F182 HydrophobicContact CD1-CB 4.44Å; F42-F182 AromaticContact CD1-CD1 3.86Å; F42-F182 HydrophobicContact CD1-CD1 3.86Å; F42-F182 HydrophobicContact CD1-CG 4.39Å; F42-F182 HydrophobicContact CD2-CB 4.42Å; F42-F182 AromaticContact CD2-CD1 3.74Å; F42-F182 HydrophobicContact CD2-CD1 3.74Å; F42-F182 HydrophobicContact CD2-CD2 4.32Å; F42-F182 HydrophobicContact CD2-CE1 4.04Å; F42-F182 AromaticContact CD2-CG 3.91Å; F42-F182 HydrophobicContact CD2-CG 3.91Å; F42-F182 HydrophobicContact CD2-CZ 4.46Å; F42-F182 HydrophobicContact CE1-CB 4.02Å; F42-F182 HydrophobicContact CE1-CD1 4.3Å; F42-F182 HydrophobicContact CE1-CG 4.4Å; F42-F182 HydrophobicContact CE2-CB 4Å; F42-F182 HydrophobicContact CE2-CD1 4.2Å; F42-F182 HydrophobicContact CE2-CD2 4.33Å; F42-F182 AromaticContact CE2-CG 3.93Å; F42-F182 HydrophobicContact CE2-CG 3.93Å; F42-F182 AromaticContact CG-CD1 3.57Å; F42-F182 HydrophobicContact CG-CD1 3.57Å; F42-F182 AromaticContact CG-CE1 3.9Å; F42-F182 HydrophobicContact CG-CE1 3.9Å; F42-F182 HydrophobicContact CG-CG 4.16Å; F42-F182 HydrophobicContact CZ-CB 3.79Å; F42-F182 HydrophobicContact CZ-CD1 4.46Å; F42-F182 HydrophobicContact CZ-CG 4.19Å
43L85.1Confident83.1Confident57 Ų5757.8 Ų57.830%0.29830%0.303SS..Hα-helixtrans-62.3-42.1178.8-76172.9000112.8L39 F40 I41 C45 C46 Q47 T185L39-L43 WeakPolarHBondContact O-CB 3.46Å; L39-L43 WeakPolarHBondContact O-CG 3.21Å; L39-L43 PolarHBondContact O-N 3.13Å; F40-L43 PolarHBondContact O-N 3.44Å; I41-L43 PolarHBondContact O-N 3.42Å; L43-C45 VanDerWaalsContact C-N 3.32Å; L43-C45 PolarHBondContact O-N 2.76Å; L43-C46 WeakPolarHBondContact O-CB 3.48Å; L43-C46 PolarHBondContact O-N 2.82Å; L43-Q47 WeakPolarHBondContact O-CG 3.4Å; L43-Q47 PolarHBondContact O-N 2.94Å; L43-T185 HydrophobicContact CD1-CG2 4.25Å; L43-T185 HydrophobicContact CD2-CG2 3.62Å; L43-T185 HydrophobicContact CG-CG2 4.01Å
44V87.8Confident81.3Confident60 Ų6060.8 Ų60.836%0.36432%0.317SS..Hα-helixtrans-62.1-43.4176.2170.30000110.3F40 I41 F42 C46 Q47 I48F40-V44 HydrophobicContact CD1-CG2 4.08Å; F40-V44 HydrophobicContact CE1-CG2 3.71Å; F40-V44 HydrophobicContact CE2-CG2 4.47Å; F40-V44 HydrophobicContact CZ-CG2 3.93Å; F40-V44 VanDerWaalsContact O-CG2 3.3Å; F40-V44 WeakPolarHBondContact O-CG2 3.3Å; F40-V44 PolarHBondContact O-N 3.43Å; I41-V44 PolarHBondContact O-N 3.22Å; F42-V44 PolarHBondContact O-N 3.38Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 2.87Å; V44-Q47 PolarHBondContact O-N 3.31Å; V44-Q47 VanDerWaalsContact O-N 3.11Å; V44-I48 HydrophobicContact CG1-CD1 3.83Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 WeakPolarHBondContact O-CG1 3.35Å; V44-I48 PolarHBondContact O-N 3.31Å
45C83.4Confident79.4Confident16 Ų1659 Ų5911%0.10832%0.318CS..Hα-helixtrans-64.6-32.7175.8-70.60000113.3I41 F42 L43 Q47 L76 M77I41-C45 PolarHBondContact O-N 3.35Å; I41-C45 PolarHBondContact O-SG 3.17Å; I41-C45 VanDerWaalsContact O-SG 3.34Å; F42-C45 WeakPolarHBondContact O-CB 3.42Å; F42-C45 PolarHBondContact O-N 3.15Å; L43-C45 VanDerWaalsContact C-N 3.32Å; L43-C45 PolarHBondContact O-N 2.76Å; C45-Q47 PolarHBondContact O-N 2.9Å; C45-L76 HydrophobicContact CB-CB 4.48Å; C45-M77 HydrophobicContact CB-CE 3.17Å; C45-M77 HydrophobicContact CB-CG 3.89Å; C45-M77 HydrophobicContact CB-SD 4.32Å
46C78.4Confident77.6Confident1 Ų163.2 Ų63.21%0.00735%0.348CS..THydrogen-bonded Turntrans-65-14.4173.4-74.90000114F42 L43 V44 N72 T75 M77F42-C46 PolarHBondContact O-N 3.13Å; F42-C46 PolarHBondContact O-SG 3.43Å; F42-C46 VanDerWaalsContact O-SG 3.39Å; L43-C46 WeakPolarHBondContact O-CB 3.48Å; L43-C46 PolarHBondContact O-N 2.82Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 2.87Å; C46-N72 PolarHBondContact O-ND2 2.79Å; C46-T75 WeakPolarHBondContact O-CG2 3.45Å; C46-M77 HydrophobicContact CB-CG 4.49Å
47Q80.8Confident75.8Confident122 Ų12268.2 Ų68.257%0.5737%0.368SS*.THydrogen-bonded Turntrans-109.8-18.1-175.7-66.2-66.8-22.500113.3L43 V44 C45 P49 E189L43-Q47 WeakPolarHBondContact O-CG 3.4Å; L43-Q47 PolarHBondContact O-N 2.94Å; V44-Q47 PolarHBondContact O-N 3.31Å; V44-Q47 VanDerWaalsContact O-N 3.11Å; C45-Q47 PolarHBondContact O-N 2.9Å; Q47-P49 WeakPolarHBondContact O-CD 3.32Å; Q47-E189 PolarHBondContact NE2-OE1 3Å
48I84.2Confident73.9Confident71 Ų7167.2 Ų67.236%0.36437%0.367SS..SBendtrans-77.9118.7178.7-65.7165.7000109.4V44 T75 L76V44-I48 HydrophobicContact CG1-CD1 3.83Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 WeakPolarHBondContact O-CG1 3.35Å; V44-I48 PolarHBondContact O-N 3.31Å; I48-T75 CarbonylContact O-C 3.6Å; I48-T75 VanDerWaalsContact O-CA 3.25Å; I48-T75 WeakPolarHBondContact O-CA 3.45Å; I48-T75 WeakPolarHBondContact O-CB 3.5Å; I48-L76 HydrophobicContact CB-CD1 3.75Å; I48-L76 HydrophobicContact CB-CG 4.14Å; I48-L76 HydrophobicContact CD1-CD1 4.01Å; I48-L76 HydrophobicContact CG1-CD1 4.48Å; I48-L76 HydrophobicContact CG2-CD1 3.73Å; I48-L76 HydrophobicContact CG2-CG 4.02Å; I48-L76 PolarHBondContact O-N 3.27Å
49P80.8Confident72Confident91 Ų9169.1 Ų69.159%0.59138%0.383SS*.BIsolated β-bridgetrans-70.2151.3177.629.2-34.2000111.7Q47 G74Q47-P49 WeakPolarHBondContact O-CD 3.32Å; P49-G74 CarbonylContact C-O 3.57Å; P49-G74 VanDerWaalsContact CA-O 3.27Å; P49-G74 WeakPolarHBondContact CA-O 3.32Å
50L77.6Confident70.5Confident10 Ų1069 Ų695%0.05238%0.383CS..PPolyproline II helixtrans-71.4148.2173.9-65.5158.2000110.7I53 G74 T75 L76 E78 Y137 Q154 L155L50-I53 HydrophobicContact CB-CD1 3.93Å; L50-I53 HydrophobicContact CB-CG1 4.15Å; L50-I53 HydrophobicContact CD1-CD1 4.46Å; L50-G74 PolarHBondContact N-O 3.36Å; L50-T75 WeakPolarHBondContact CD1-O 3.22Å; L50-T75 WeakPolarHBondContact CG-O 3.44Å; L50-L76 HydrophobicContact CD2-CD2 4.18Å; L50-E78 HydrophobicContact CD1-CB 4.35Å; L50-E78 VanDerWaalsContact CD1-OE2 3.32Å; L50-E78 WeakPolarHBondContact CD1-OE2 3.48Å; L50-Y137 HydrophobicContact CD1-CE1 4.4Å; L50-Q154 HydrophobicContact CD2-CG 4.04Å; L50-L155 HydrophobicContact CD1-CD2 4.02Å; L50-L155 HydrophobicContact CD2-CD2 3.74Å; L50-L155 HydrophobicContact CD2-CG 4.21Å
51F74.3Confident68.7Low127 Ų12764.1 Ų64.156%0.55737%0.366SS*.THydrogen-bonded Turntrans-76.2128.7174.9-175.5-96.6000110L150 I151F51-L150 HydrophobicContact CB-CD2 4.29Å; F51-L150 HydrophobicContact CD1-CD2 3.93Å; F51-L150 HydrophobicContact CG-CD2 4.44Å; F51-I151 VanDerWaalsContact O-CG1 3.28Å; F51-I151 WeakPolarHBondContact O-CG1 3.34Å
52G66.1Low67.3Low23 Ų2362 Ų6224%0.23736%0.355CS..THydrogen-bonded Turntrans98.210.2171.800000117M54 M143G52-M54 PolarHBondContact O-N 3.44Å; G52-M143 WeakPolarHBondContact O-CE 3.45Å
53I62.6Low66.1Low48 Ų4866.8 Ų66.825%0.24637%0.373CS..  trans-73.2109.6173.9-55.9173.5000109.4L50 G74 Y137L50-I53 HydrophobicContact CB-CD1 3.93Å; L50-I53 HydrophobicContact CB-CG1 4.15Å; L50-I53 HydrophobicContact CD1-CD1 4.46Å; I53-G74 VanDerWaalsContact CD1-O 3.3Å; I53-G74 WeakPolarHBondContact CD1-O 3.34Å; I53-Y137 HydrophobicContact CG1-CD1 4.49Å
54M51Low65Low163 Ų16368 Ų6880%0.80337%0.374SS*.  trans-97.4-13.8174.6-70.9-170.770.500113.5G52G52-M54 PolarHBondContact O-N 3.44Å
55S48.9Very low63.9Low57 Ų5766.6 Ų66.640%0.39936%0.363SS..  trans-128.294.6-175.3-56.60000111.5D57S55-D57 VanDerWaalsContact C-N 3.34Å
56S49.9Very low63.2Low100 Ų10067 Ų6770%0.69936%0.363SS*.SBendtrans-85.4-2.1178.2-62.80000114.3
57D49.6Very low62.6Low159 Ų15968.7 Ų68.785%0.8537%0.373SS*.  trans-111.57.5-169.1-94.8-8.7000115.8S55S55-D57 VanDerWaalsContact C-N 3.34Å
58S51.6Low61.9Low54 Ų5463.5 Ų63.538%0.37835%0.349SS..SBendtrans-71.4140.2175.154.90000111.3D60 R73S58-D60 PolarHBondContact O-N 3.5Å; S58-R73 VanDerWaalsContact O-CZ 3.25Å; S58-R73 PolarHBondContact O-NH1 3.08Å; S58-R73 PolarHBondContact O-NH2 3.38Å; S58-R73 PolarHBondContact OG-NH2 3.36Å
59A49Very low61.2Low42 Ų4261.1 Ų61.135%0.34734%0.337SS..  trans-58.7132.6178.100000110.8P61 A333A59-P61 WeakPolarHBondContact O-CD 3.28Å; A59-A333 HydrophobicContact CB-CB 3.97Å
60D54.6Low60.7Low34 Ų3456.8 Ų56.818%0.18231%0.309CS..  trans-86.9108-176.4-160.4-12.9000111S58 F62 R66S58-D60 PolarHBondContact O-N 3.5Å; D60-F62 PolarHBondContact O-N 2.91Å; D60-F62 PolarHBondContact OD1-N 3.47Å; D60-R66 IonicContact OD1-CZ 3.13Å; D60-R66 IonicContact OD1-NE 3.65Å; D60-R66 PolarHBondContact OD1-NE 2.97Å; D60-R66 IonicContact OD1-NH2 3.44Å; D60-R66 PolarHBondContact OD1-NH2 3.09Å; D60-R66 IonicContact OD2-CZ 3.03Å; D60-R66 IonicContact OD2-NE 3.3Å; D60-R66 PolarHBondContact OD2-NE 2.97Å; D60-R66 IonicContact OD2-NH2 3.83Å; D60-R66 PolarHBondContact OD2-NH2 3.36Å
61P52.8Low60.3Low45 Ų4556.6 Ų56.629%0.29231%0.308SS..THydrogen-bonded Turntrans-70.9-16.7-179-16.333.7000112.6A59 Q306A59-P61 WeakPolarHBondContact O-CD 3.28Å; P61-Q306 PolarHBondContact O-OE1 3.26Å
62F58.1Low60.2Low23 Ų2352.4 Ų52.410%0.10129%0.292CS..THydrogen-bonded Turntrans-107.916.3-170.2-65.2-67.1000114.4D60 W64 M65 R66 Y131 M136 V303 M307D60-F62 PolarHBondContact O-N 2.91Å; D60-F62 PolarHBondContact OD1-N 3.47Å; F62-W64 VanDerWaalsContact C-N 3.26Å; F62-W64 PolarHBondContact O-N 2.99Å; F62-W64 VanDerWaalsContact O-N 3.12Å; F62-M65 HydrophobicContact CB-CB 4.23Å; F62-M65 HydrophobicContact CD1-CB 4.35Å; F62-M65 HydrophobicContact CD1-CE 3.85Å; F62-M65 HydrophobicContact CD1-SD 4.06Å; F62-M65 HydrophobicContact CE1-CE 4.18Å; F62-M65 HydrophobicContact CE1-SD 4.41Å; F62-M65 HydrophobicContact CG-CE 4.43Å; F62-M65 WeakPolarHBondContact O-CA 3.37Å; F62-M65 WeakPolarHBondContact O-CB 3.4Å; F62-M65 PolarHBondContact O-N 3.17Å; F62-R66 WeakPolarHBondContact O-CG 3.4Å; F62-R66 PolarHBondContact O-N 2.73Å; F62-Y131 AromaticContact CE2-CE1 3.92Å; F62-Y131 HydrophobicContact CE2-CE1 3.92Å; F62-Y131 HydrophobicContact CZ-CE1 4.36Å; F62-M136 HydrophobicContact CD2-CE 4.09Å; F62-M136 HydrophobicContact CD2-SD 4.45Å; F62-M136 HydrophobicContact CE2-CE 4.32Å; F62-M136 HydrophobicContact CE2-SD 4.08Å; F62-V303 HydrophobicContact CD1-CG1 4.43Å; F62-V303 HydrophobicContact CD1-CG2 3.54Å; F62-V303 HydrophobicContact CE1-CB 4.19Å; F62-V303 HydrophobicContact CE1-CG1 3.56Å; F62-V303 HydrophobicContact CE1-CG2 3.5Å; F62-V303 VanDerWaalsContact CE1-CG2 3.5Å; F62-V303 HydrophobicContact CZ-CG1 4.12Å; F62-M307 HydrophobicContact CZ-CE 4.24Å
63Y61Low60.3Low100 Ų10054.7 Ų54.739%0.39229%0.293SS..Hα-helixtrans-48.4-46.3-176.4-177.4-104.8000113.3M65 R66 R334Y63-M65 PolarHBondContact O-N 2.89Å; Y63-R66 PolarHBondContact O-N 3.1Å; Y63-R334 PolarHBondContact OH-NH2 3.25Å; Y63-R334 VanDerWaalsContact OH-NH2 3.08Å
64W61.8Low60.7Low83 Ų8353 Ų5331%0.31429%0.287SS..Hα-helixtrans-68.4-31.1177.9-59.3105000113.8F62 P347F62-W64 VanDerWaalsContact C-N 3.26Å; F62-W64 PolarHBondContact O-N 2.99Å; F62-W64 VanDerWaalsContact O-N 3.12Å; W64-P347 HydrophobicContact CH2-CG 4.01Å; W64-P347 HydrophobicContact CZ3-CG 4.19Å
65M65.4Low62.2Low29 Ų2946 Ų4614%0.14325%0.254CS..Hα-helixtrans-75.9-34178.3-144.8177.77200111.3F62 Y63 V67 I68 L69F62-M65 HydrophobicContact CB-CB 4.23Å; F62-M65 HydrophobicContact CD1-CB 4.35Å; F62-M65 HydrophobicContact CD1-CE 3.85Å; F62-M65 HydrophobicContact CD1-SD 4.06Å; F62-M65 HydrophobicContact CE1-CE 4.18Å; F62-M65 HydrophobicContact CE1-SD 4.41Å; F62-M65 HydrophobicContact CG-CE 4.43Å; F62-M65 WeakPolarHBondContact O-CA 3.37Å; F62-M65 WeakPolarHBondContact O-CB 3.4Å; F62-M65 PolarHBondContact O-N 3.17Å; Y63-M65 PolarHBondContact O-N 2.89Å; M65-V67 VanDerWaalsContact C-N 3.33Å; M65-V67 PolarHBondContact O-N 3.32Å; M65-I68 PolarHBondContact O-N 3.45Å; M65-L69 HydrophobicContact CB-CD1 4.12Å; M65-L69 HydrophobicContact CE-CD1 3.21Å; M65-L69 HydrophobicContact CG-CD1 3.41Å; M65-L69 VanDerWaalsContact CG-CD1 3.41Å; M65-L69 HydrophobicContact CG-CG 4.13Å; M65-L69 WeakPolarHBondContact O-CB 3.26Å; M65-L69 WeakPolarHBondContact O-CG 3.5Å; M65-L69 PolarHBondContact O-N 3.4Å; M65-L69 HydrophobicContact SD-CD1 3.85Å
66R69.1Low63.7Low25 Ų2544.7 Ų44.79%0.09424%0.242CC..Hα-helixtrans-60.9-37.8-176.7-75.6-170.8-165.9-81.11.7113.9D60 F62 Y63 I68 L69 A70 S71 E78D60-R66 IonicContact OD1-CZ 3.13Å; D60-R66 IonicContact OD1-NE 3.65Å; D60-R66 PolarHBondContact OD1-NE 2.97Å; D60-R66 IonicContact OD1-NH2 3.44Å; D60-R66 PolarHBondContact OD1-NH2 3.09Å; D60-R66 IonicContact OD2-CZ 3.03Å; D60-R66 IonicContact OD2-NE 3.3Å; D60-R66 PolarHBondContact OD2-NE 2.97Å; D60-R66 IonicContact OD2-NH2 3.83Å; D60-R66 PolarHBondContact OD2-NH2 3.36Å; F62-R66 WeakPolarHBondContact O-CG 3.4Å; F62-R66 PolarHBondContact O-N 2.73Å; Y63-R66 PolarHBondContact O-N 3.1Å; R66-I68 VanDerWaalsContact C-N 3.28Å; R66-I68 PolarHBondContact O-N 3.27Å; R66-L69 PolarHBondContact O-N 3.02Å; R66-A70 PolarHBondContact O-N 3.22Å; R66-S71 WeakPolarHBondContact CB-O 3.41Å; R66-S71 PolarHBondContact NH1-OG 3.19Å; R66-S71 PolarHBondContact O-N 3.36Å; R66-S71 VanDerWaalsContact O-N 3.16Å; R66-E78 IonicContact NH2-OE1 2.76Å
67V65Low65.2Low37 Ų3740 Ų4022%0.22421%0.21CC..Hα-helixtrans-60.1-39.7178.4179.50000111.5M65M65-V67 VanDerWaalsContact C-N 3.33Å; M65-V67 PolarHBondContact O-N 3.32Å
68I66.6Low66.4Low13 Ų1332.6 Ų32.67%0.06717%0.17CC..Hα-helixtrans-81.1-35-178.4-54.7169.3000111M65 R66 A70 I292 S295M65-I68 PolarHBondContact O-N 3.45Å; R66-I68 VanDerWaalsContact C-N 3.28Å; R66-I68 PolarHBondContact O-N 3.27Å; I68-A70 VanDerWaalsContact C-N 3.29Å; I68-A70 PolarHBondContact O-N 2.94Å; I68-I292 HydrophobicContact CG2-CG2 4.37Å; I68-S295 WeakPolarHBondContact CD1-OG 3.26Å
69L70.3Confident67.6Low20 Ų2030.3 Ų30.311%0.10515%0.153CC..Hα-helixtrans-87.1-0.1-174.9-58.2172.8000113.3M65 R66 S71 I81M65-L69 HydrophobicContact CB-CD1 4.12Å; M65-L69 HydrophobicContact CE-CD1 3.21Å; M65-L69 HydrophobicContact CG-CD1 3.41Å; M65-L69 VanDerWaalsContact CG-CD1 3.41Å; M65-L69 HydrophobicContact CG-CG 4.13Å; M65-L69 WeakPolarHBondContact O-CB 3.26Å; M65-L69 WeakPolarHBondContact O-CG 3.5Å; M65-L69 PolarHBondContact O-N 3.4Å; M65-L69 HydrophobicContact SD-CD1 3.85Å; R66-L69 PolarHBondContact O-N 3.02Å; L69-S71 PolarHBondContact O-N 3.15Å; L69-I81 PolarHBondContact O-N 3.26Å
70A68.9Low69.1Low0 Ų028.5 Ų28.50%014%0.138CC..THydrogen-bonded Turntrans48.748.7-17400000111.5F42 R66 I68 I81 N186F42-A70 HydrophobicContact CZ-CB 4.07Å; R66-A70 PolarHBondContact O-N 3.22Å; I68-A70 VanDerWaalsContact C-N 3.29Å; I68-A70 PolarHBondContact O-N 2.94Å; A70-I81 HydrophobicContact CB-CD1 3.59Å; A70-I81 HydrophobicContact CB-CG1 4.12Å; A70-N186 HydrophobicContact CB-CB 3.7Å
71S70.1Confident70.3Confident6 Ų626.9 Ų26.94%0.04213%0.13CC..  trans-110.4127-175.9160.70000110.7R66 L69 M77 E78R66-S71 WeakPolarHBondContact CB-O 3.41Å; R66-S71 PolarHBondContact NH1-OG 3.19Å; R66-S71 PolarHBondContact O-N 3.36Å; R66-S71 VanDerWaalsContact O-N 3.16Å; L69-S71 PolarHBondContact O-N 3.15Å; S71-M77 VanDerWaalsContact CA-O 3.32Å; S71-M77 WeakPolarHBondContact CA-O 3.26Å; S71-M77 PolarHBondContact OG-O 3.44Å; S71-E78 WeakPolarHBondContact CB-O 3.47Å; S71-E78 PolarHBondContact OG-O 2.9Å
72N71.2Confident71.6Confident39 Ų3924.9 Ų24.921%0.20912%0.117CC..  trans-104.1128172.3-69.7-10.1000108.9C46 T75 M77 N186C46-N72 PolarHBondContact O-ND2 2.79Å; N72-T75 HydrophobicContact CB-CG2 3.92Å; N72-T75 WeakPolarHBondContact CB-OG1 3.2Å; N72-T75 PolarHBondContact O-OG1 3.43Å; N72-M77 PolarHBondContact N-O 2.93Å; N72-N186 PolarHBondContact OD1-ND2 2.96Å
73R69.6Low72.7Confident72 Ų7223.9 Ų23.927%0.27211%0.113SC..THydrogen-bonded Turntrans-63.3136.5-179.9-178.3176.1172.8164.3-4.1111.3S58 T75S58-R73 VanDerWaalsContact O-CZ 3.25Å; S58-R73 PolarHBondContact O-NH1 3.08Å; S58-R73 PolarHBondContact O-NH2 3.38Å; S58-R73 PolarHBondContact OG-NH2 3.36Å; R73-T75 PolarHBondContact O-N 3.35Å
74G70.6Confident73.8Confident12 Ų1219.3 Ų19.312%0.12410%0.095CC..THydrogen-bonded Turntrans74.315.1173.200000114.3P49 L50 I53 E78P49-G74 CarbonylContact C-O 3.57Å; P49-G74 VanDerWaalsContact CA-O 3.27Å; P49-G74 WeakPolarHBondContact CA-O 3.32Å; L50-G74 PolarHBondContact N-O 3.36Å; I53-G74 VanDerWaalsContact CD1-O 3.3Å; I53-G74 WeakPolarHBondContact CD1-O 3.34Å; G74-E78 WeakPolarHBondContact CA-OE2 3.44Å; G74-E78 PolarHBondContact N-OE2 3.16Å
75T82.8Confident74.7Confident16 Ų1616.5 Ų16.510%0.0989%0.087CC..BIsolated β-bridgetrans-117.3167.8-179.971.60000110.4C46 I48 L50 N72 R73 M77 E78C46-T75 WeakPolarHBondContact O-CG2 3.45Å; I48-T75 CarbonylContact O-C 3.6Å; I48-T75 VanDerWaalsContact O-CA 3.25Å; I48-T75 WeakPolarHBondContact O-CA 3.45Å; I48-T75 WeakPolarHBondContact O-CB 3.5Å; L50-T75 WeakPolarHBondContact CD1-O 3.22Å; L50-T75 WeakPolarHBondContact CG-O 3.44Å; N72-T75 HydrophobicContact CB-CG2 3.92Å; N72-T75 WeakPolarHBondContact CB-OG1 3.2Å; N72-T75 PolarHBondContact O-OG1 3.43Å; R73-T75 PolarHBondContact O-N 3.35Å; T75-M77 PolarHBondContact O-N 3.27Å; T75-M77 PolarHBondContact OG1-N 2.9Å; T75-E78 WeakPolarHBondContact O-CB 3.43Å; T75-E78 PolarHBondContact O-N 2.7Å; T75-E78 VanDerWaalsContact O-N 3.1Å
76L79.5Confident75.3Confident29 Ų2917.4 Ų17.415%0.1529%0.094CC..THydrogen-bonded Turntrans-52.5-25.5172.8-69174.5000112.8C45 I48 L50 E78 Q154 A158C45-L76 HydrophobicContact CB-CB 4.48Å; I48-L76 HydrophobicContact CB-CD1 3.75Å; I48-L76 HydrophobicContact CB-CG 4.14Å; I48-L76 HydrophobicContact CD1-CD1 4.01Å; I48-L76 HydrophobicContact CG1-CD1 4.48Å; I48-L76 HydrophobicContact CG2-CD1 3.73Å; I48-L76 HydrophobicContact CG2-CG 4.02Å; I48-L76 PolarHBondContact O-N 3.27Å; L50-L76 HydrophobicContact CD2-CD2 4.18Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.49Å; L76-Q154 HydrophobicContact CD2-CG 3.46Å; L76-Q154 VanDerWaalsContact CD2-CG 3.46Å; L76-A158 HydrophobicContact CB-CB 4.1Å; L76-A158 HydrophobicContact CD2-CB 4.41Å; L76-A158 VanDerWaalsContact O-CB 3.26Å; L76-A158 WeakPolarHBondContact O-CB 3.34Å
77M81.1Confident75.9Confident3 Ų316.3 Ų16.32%0.0159%0.09CC..THydrogen-bonded Turntrans-94.129.8-178.7-66.8-65.5-175.600113.4F42 C45 C46 S71 N72 T75 L79 G80 V162F42-M77 HydrophobicContact CD2-CE 3.64Å; F42-M77 HydrophobicContact CD2-SD 4.22Å; F42-M77 HydrophobicContact CE2-CE 4.03Å; F42-M77 HydrophobicContact CE2-SD 3.98Å; C45-M77 HydrophobicContact CB-CE 3.17Å; C45-M77 HydrophobicContact CB-CG 3.89Å; C45-M77 HydrophobicContact CB-SD 4.32Å; C46-M77 HydrophobicContact CB-CG 4.49Å; S71-M77 VanDerWaalsContact CA-O 3.32Å; S71-M77 WeakPolarHBondContact CA-O 3.26Å; S71-M77 PolarHBondContact OG-O 3.44Å; N72-M77 PolarHBondContact N-O 2.93Å; T75-M77 PolarHBondContact O-N 3.27Å; T75-M77 PolarHBondContact OG1-N 2.9Å; M77-L79 PolarHBondContact O-N 3.25Å; M77-G80 WeakPolarHBondContact O-CA 3.45Å; M77-G80 PolarHBondContact O-N 2.56Å; M77-V162 HydrophobicContact CE-CG2 3.43Å; M77-V162 VanDerWaalsContact CE-CG2 3.43Å; M77-V162 HydrophobicContact SD-CG2 3.4Å; M77-V162 WeakPolarHBondContact SD-CG2 3.42Å
78E75.8Confident76.6Confident3 Ų314.8 Ų14.81%0.0148%0.082CC..SBendtrans-69.1-33.2-178.9-171150.8173.500114.1L50 R66 S71 G74 T75 L76 G80 Y137 L155L50-E78 HydrophobicContact CD1-CB 4.35Å; L50-E78 VanDerWaalsContact CD1-OE2 3.32Å; L50-E78 WeakPolarHBondContact CD1-OE2 3.48Å; R66-E78 IonicContact NH2-OE1 2.76Å; S71-E78 WeakPolarHBondContact CB-O 3.47Å; S71-E78 PolarHBondContact OG-O 2.9Å; G74-E78 WeakPolarHBondContact CA-OE2 3.44Å; G74-E78 PolarHBondContact N-OE2 3.16Å; T75-E78 WeakPolarHBondContact O-CB 3.43Å; T75-E78 PolarHBondContact O-N 2.7Å; T75-E78 VanDerWaalsContact O-N 3.1Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.49Å; E78-G80 VanDerWaalsContact C-N 3.29Å; E78-Y137 VanDerWaalsContact CD-CE1 3.45Å; E78-Y137 WeakPolarHBondContact CG-OH 3.35Å; E78-Y137 WeakPolarHBondContact OE1-CE1 3.19Å; E78-Y137 PolarHBondContact OE1-OH 3.44Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.37Å; E78-Y137 PolarHBondContact OE2-OH 3.41Å; E78-Y137 VanDerWaalsContact OE2-OH 3.12Å; E78-L155 HydrophobicContact CB-CD2 4.15Å
79L75.6Confident77Confident5 Ų517 Ų173%0.0269%0.094CC..SBendtrans-76.1-23167.2-70.3134.7000111.6M77 I81 S82 P83 Q127 A128 Y131 L155M77-L79 PolarHBondContact O-N 3.25Å; L79-I81 PolarHBondContact O-N 3.18Å; L79-S82 VanDerWaalsContact O-CB 3.31Å; L79-S82 WeakPolarHBondContact O-CB 3.22Å; L79-S82 PolarHBondContact O-N 2.95Å; L79-S82 VanDerWaalsContact O-N 3.11Å; L79-S82 PolarHBondContact O-OG 3.43Å; L79-P83 HydrophobicContact CB-CG 4.41Å; L79-P83 HydrophobicContact CD2-CG 4.39Å; L79-Q127 HydrophobicContact CD2-CB 3.27Å; L79-Q127 HydrophobicContact CD2-CG 4.36Å; L79-A128 HydrophobicContact CD1-CB 4.24Å; L79-Y131 HydrophobicContact CD2-CD2 4.32Å; L79-Y131 HydrophobicContact CD2-CE2 4.18Å; L79-Y131 HydrophobicContact CG-CD2 4.48Å; L79-Y131 HydrophobicContact CG-CE2 4.41Å; L79-L155 HydrophobicContact CD1-CB 3.69Å; L79-L155 HydrophobicContact CD1-CD1 4.26Å; L79-L155 HydrophobicContact CD1-CD2 3.99Å; L79-L155 HydrophobicContact CD1-CG 4.2Å
80G80.7Confident77.5Confident4 Ų420 Ų204%0.04111%0.109CC..THydrogen-bonded Turntrans50.4-132.3-176.400000112.1M77 E78M77-G80 WeakPolarHBondContact O-CA 3.45Å; M77-G80 PolarHBondContact O-N 2.56Å; E78-G80 VanDerWaalsContact C-N 3.29Å
81I80.6Confident78Confident0 Ų020.2 Ų20.20%011%0.11CC..THydrogen-bonded Turntrans-95.14.7-179.4-38.9160000111L69 A70 L79 P83 I84 V85 I179 F182 I183L69-I81 PolarHBondContact O-N 3.26Å; A70-I81 HydrophobicContact CB-CD1 3.59Å; A70-I81 HydrophobicContact CB-CG1 4.12Å; L79-I81 PolarHBondContact O-N 3.18Å; I81-P83 VanDerWaalsContact C-CD 3.44Å; I81-I84 HydrophobicContact CG2-CB 3.93Å; I81-I84 HydrophobicContact CG2-CD1 4.14Å; I81-I84 HydrophobicContact CG2-CG1 4.22Å; I81-I84 PolarHBondContact O-N 3.31Å; I81-I84 VanDerWaalsContact O-N 3.1Å; I81-V85 HydrophobicContact CB-CG2 4.35Å; I81-V85 HydrophobicContact CG2-CG2 3.91Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.42Å; I81-I179 HydrophobicContact CG2-CB 4.35Å; I81-I179 HydrophobicContact CG2-CG1 4Å; I81-I179 HydrophobicContact CG2-CG2 4.16Å; I81-F182 HydrophobicContact CD1-CB 3.35Å; I81-F182 HydrophobicContact CD1-CD2 4.26Å; I81-F182 HydrophobicContact CD1-CG 4.32Å; I81-F182 HydrophobicContact CG1-CB 4.05Å; I81-F182 HydrophobicContact CG1-CD2 4.25Å; I81-I183 HydrophobicContact CD1-CG1 3.68Å
82S80.4Confident78.2Confident3 Ų324.3 Ų24.32%0.02113%0.129CC..Hα-helixtrans-54.7-43.7-174.273.70000114.6L79 I84 T86 Q127L79-S82 VanDerWaalsContact O-CB 3.31Å; L79-S82 WeakPolarHBondContact O-CB 3.22Å; L79-S82 PolarHBondContact O-N 2.95Å; L79-S82 VanDerWaalsContact O-N 3.11Å; L79-S82 PolarHBondContact O-OG 3.43Å; S82-I84 VanDerWaalsContact C-N 3.28Å; S82-I84 PolarHBondContact O-N 2.88Å; S82-T86 WeakPolarHBondContact O-CB 3.43Å; S82-T86 VanDerWaalsContact O-CG2 3.23Å; S82-T86 WeakPolarHBondContact O-CG2 3.31Å; S82-T86 PolarHBondContact O-N 2.85Å; S82-T86 PolarHBondContact O-OG1 3.48Å; S82-Q127 PolarHBondContact OG-OE1 3.41Å
83P81.5Confident78.4Confident2 Ų228.1 Ų28.11%0.01315%0.148CC..Hα-helixtrans-70.6-29.6-177.7-19.837.5000111.8L79 I81 T86 S87 I123 T124L79-P83 HydrophobicContact CB-CG 4.41Å; L79-P83 HydrophobicContact CD2-CG 4.39Å; I81-P83 VanDerWaalsContact C-CD 3.44Å; P83-T86 WeakPolarHBondContact CA-OG1 3.46Å; P83-T86 PolarHBondContact O-OG1 3.44Å; P83-S87 VanDerWaalsContact O-CB 3.25Å; P83-S87 WeakPolarHBondContact O-CB 3.49Å; P83-S87 PolarHBondContact O-N 2.92Å; P83-S87 PolarHBondContact O-OG 3.3Å; P83-I123 HydrophobicContact CB-CB 4.27Å; P83-I123 HydrophobicContact CB-CG2 3.94Å; P83-T124 HydrophobicContact CB-CG2 3.46Å; P83-T124 VanDerWaalsContact CB-CG2 3.46Å; P83-T124 HydrophobicContact CG-CG2 3.52Å
84I82.9Confident78.8Confident5 Ų527 Ų273%0.02615%0.148CC..Hα-helixtrans-74.9-46.6-179.9-42.9-168.1000110.2I81 S82 S87 G88 V162 L163 D166 I179I81-I84 HydrophobicContact CG2-CB 3.93Å; I81-I84 HydrophobicContact CG2-CD1 4.14Å; I81-I84 HydrophobicContact CG2-CG1 4.22Å; I81-I84 PolarHBondContact O-N 3.31Å; I81-I84 VanDerWaalsContact O-N 3.1Å; S82-I84 VanDerWaalsContact C-N 3.28Å; S82-I84 PolarHBondContact O-N 2.88Å; I84-S87 PolarHBondContact O-OG 3.08Å; I84-G88 PolarHBondContact O-N 3.43Å; I84-V162 HydrophobicContact CD1-CB 4.26Å; I84-V162 HydrophobicContact CD1-CG1 3.58Å; I84-L163 HydrophobicContact CB-CD2 4.33Å; I84-L163 HydrophobicContact CD1-CB 4.49Å; I84-L163 HydrophobicContact CD1-CD2 3.84Å; I84-L163 HydrophobicContact CD1-CG 3.98Å; I84-L163 HydrophobicContact CG1-CD2 3.58Å; I84-L163 HydrophobicContact CG1-CG 4Å; I84-L163 HydrophobicContact CG2-CD2 4.31Å; I84-D166 HydrophobicContact CD1-CB 4.31Å; I84-D166 WeakPolarHBondContact CG2-OD2 3.37Å; I84-I179 HydrophobicContact CG2-CD1 3.84Å; I84-I179 HydrophobicContact CG2-CG1 3.99Å
85V80.3Confident78.9Confident23 Ų2328 Ų2814%0.13916%0.155CC..Hα-helixtrans-64.4-49.5177.2174.80000109.7I81 S87 G88 L89 I179I81-V85 HydrophobicContact CB-CG2 4.35Å; I81-V85 HydrophobicContact CG2-CG2 3.91Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.42Å; V85-S87 PolarHBondContact O-N 3.31Å; V85-G88 PolarHBondContact O-N 2.84Å; V85-L89 HydrophobicContact CB-CD1 4.43Å; V85-L89 HydrophobicContact CG1-CD1 3.26Å; V85-L89 WeakPolarHBondContact O-CB 3.34Å; V85-L89 WeakPolarHBondContact O-CD1 3.38Å; V85-L89 PolarHBondContact O-N 3.47Å; V85-I179 HydrophobicContact CG2-CD1 4.47Å; V85-I179 HydrophobicContact CG2-CG2 3.65Å
86T79.6Confident78.2Confident48 Ų4828.8 Ų28.829%0.29417%0.165SC..Hα-helixtrans-62.3-46.2-178.751.90000112.6S82 P83 G88 L89 I90S82-T86 WeakPolarHBondContact O-CB 3.43Å; S82-T86 VanDerWaalsContact O-CG2 3.23Å; S82-T86 WeakPolarHBondContact O-CG2 3.31Å; S82-T86 PolarHBondContact O-N 2.85Å; S82-T86 PolarHBondContact O-OG1 3.48Å; P83-T86 WeakPolarHBondContact CA-OG1 3.46Å; P83-T86 PolarHBondContact O-OG1 3.44Å; T86-G88 VanDerWaalsContact C-N 3.34Å; T86-G88 PolarHBondContact O-N 3.32Å; T86-L89 PolarHBondContact O-N 2.87Å; T86-I90 WeakPolarHBondContact O-CB 3.26Å; T86-I90 WeakPolarHBondContact O-CD1 3.45Å; T86-I90 WeakPolarHBondContact O-CG1 3.31Å; T86-I90 PolarHBondContact O-N 3.01Å
87S81.8Confident77.9Confident2 Ų230.1 Ų30.11%0.01418%0.181CC..Hα-helixtrans-60.9-41.817555.90000112.4P83 I84 V85 I90 M91P83-S87 VanDerWaalsContact O-CB 3.25Å; P83-S87 WeakPolarHBondContact O-CB 3.49Å; P83-S87 PolarHBondContact O-N 2.92Å; P83-S87 PolarHBondContact O-OG 3.3Å; I84-S87 PolarHBondContact O-OG 3.08Å; V85-S87 PolarHBondContact O-N 3.31Å; S87-I90 PolarHBondContact O-N 3.27Å; S87-M91 WeakPolarHBondContact O-CB 3.4Å; S87-M91 WeakPolarHBondContact O-CG 3.31Å; S87-M91 PolarHBondContact O-N 3.47Å
88G78.9Confident77.4Confident5 Ų538.4 Ų38.45%0.05222%0.217CC..Hα-helixtrans-62.5-46.8176.500000112.9I84 V85 T86 M91 Q92 Q116I84-G88 PolarHBondContact O-N 3.43Å; V85-G88 PolarHBondContact O-N 2.84Å; T86-G88 VanDerWaalsContact C-N 3.34Å; T86-G88 PolarHBondContact O-N 3.32Å; G88-M91 PolarHBondContact O-N 3.18Å; G88-Q92 VanDerWaalsContact O-CB 3.3Å; G88-Q92 WeakPolarHBondContact O-CB 3.48Å; G88-Q92 WeakPolarHBondContact O-CG 3.29Å; G88-Q92 PolarHBondContact O-N 3.44Å; G88-Q116 VanDerWaalsContact CA-NE2 3.27Å
89L75.6Confident77.3Confident60 Ų6044.3 Ų44.331%0.31425%0.247SC..Hα-helixtrans-63.1-43.9176.8-89124.2000112.5V85 T86 M91 Q92 L93 L293V85-L89 HydrophobicContact CB-CD1 4.43Å; V85-L89 HydrophobicContact CG1-CD1 3.26Å; V85-L89 WeakPolarHBondContact O-CB 3.34Å; V85-L89 WeakPolarHBondContact O-CD1 3.38Å; V85-L89 PolarHBondContact O-N 3.47Å; T86-L89 PolarHBondContact O-N 2.87Å; L89-M91 VanDerWaalsContact C-N 3.35Å; L89-M91 PolarHBondContact O-N 2.94Å; L89-Q92 PolarHBondContact O-N 2.95Å; L89-L93 VanDerWaalsContact O-CB 3.24Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 2.95Å; L89-L293 HydrophobicContact CD2-CD2 3.33Å
90I80.3Confident76.9Confident83 Ų8345.4 Ų45.443%0.42625%0.253SS..Hα-helixtrans-61.4-46.3177.5-69.2164.9000110.1T86 S87 L93 L94 I123T86-I90 WeakPolarHBondContact O-CB 3.26Å; T86-I90 WeakPolarHBondContact O-CD1 3.45Å; T86-I90 WeakPolarHBondContact O-CG1 3.31Å; T86-I90 PolarHBondContact O-N 3.01Å; S87-I90 PolarHBondContact O-N 3.27Å; I90-L93 PolarHBondContact O-N 2.97Å; I90-L94 HydrophobicContact CG2-CD1 3.8Å; I90-L94 HydrophobicContact CG2-CG 4.5Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 WeakPolarHBondContact O-CD1 3.26Å; I90-L94 VanDerWaalsContact O-CG 3.25Å; I90-L94 WeakPolarHBondContact O-CG 3.06Å; I90-L94 PolarHBondContact O-N 3.08Å; I90-I123 HydrophobicContact CD1-CD1 4.33Å
91M80.1Confident76.1Confident5 Ų553.8 Ų53.83%0.02529%0.291CS..Hα-helixtrans-65.7-41.8179.1-79.7-63.8-175.800113S87 G88 L89 L94 A95 F112 A115 Q116 F119S87-M91 WeakPolarHBondContact O-CB 3.4Å; S87-M91 WeakPolarHBondContact O-CG 3.31Å; S87-M91 PolarHBondContact O-N 3.47Å; G88-M91 PolarHBondContact O-N 3.18Å; L89-M91 VanDerWaalsContact C-N 3.35Å; L89-M91 PolarHBondContact O-N 2.94Å; M91-L94 PolarHBondContact O-N 3.36Å; M91-L94 HydrophobicContact SD-CD1 4.46Å; M91-A95 WeakPolarHBondContact O-CB 3.37Å; M91-A95 PolarHBondContact O-N 2.88Å; M91-F112 HydrophobicContact CB-CE1 4.34Å; M91-F112 HydrophobicContact CB-CE2 3.98Å; M91-F112 HydrophobicContact CB-CZ 3.62Å; M91-F112 HydrophobicContact SD-CE2 4.16Å; M91-A115 HydrophobicContact CE-CB 3.72Å; M91-Q116 HydrophobicContact CG-CB 4.11Å; M91-Q116 HydrophobicContact CG-CG 4.31Å; M91-F119 HydrophobicContact CE-CD2 3.1Å; M91-F119 HydrophobicContact CE-CE2 3.29Å; M91-F119 HydrophobicContact CE-CG 4.06Å; M91-F119 HydrophobicContact CE-CZ 4.38Å
92Q74Confident75.2Confident92 Ų9256.1 Ų56.143%0.4331%0.305SS..Hα-helixtrans-64.3-40.4174.9-75.4175.2-2.100111.8G88 L89 A95 G96G88-Q92 VanDerWaalsContact O-CB 3.3Å; G88-Q92 WeakPolarHBondContact O-CB 3.48Å; G88-Q92 WeakPolarHBondContact O-CG 3.29Å; G88-Q92 PolarHBondContact O-N 3.44Å; L89-Q92 PolarHBondContact O-N 2.95Å; Q92-A95 PolarHBondContact O-N 3.34Å; Q92-G96 PolarHBondContact O-N 3.43Å
93L74.6Confident74.4Confident119 Ų11957.4 Ų57.462%0.62332%0.318SS*.Hα-helixtrans-64.6-43.5176.3-176.369.5000111.4L89 I90 G96 A97L89-L93 VanDerWaalsContact O-CB 3.24Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 2.95Å; I90-L93 PolarHBondContact O-N 2.97Å; L93-G96 PolarHBondContact O-N 2.68Å; L93-A97 WeakPolarHBondContact O-CB 3.23Å; L93-A97 PolarHBondContact O-N 3.21Å
94L77.6Confident73.6Confident49 Ų4963.7 Ų63.726%0.25735%0.352SS..Hα-helixtrans-63.9-39.9177.9-74.6164.3000112.5I90 M91 I99 I100I90-L94 HydrophobicContact CG2-CD1 3.8Å; I90-L94 HydrophobicContact CG2-CG 4.5Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 WeakPolarHBondContact O-CD1 3.26Å; I90-L94 VanDerWaalsContact O-CG 3.25Å; I90-L94 WeakPolarHBondContact O-CG 3.06Å; I90-L94 PolarHBondContact O-N 3.08Å; M91-L94 PolarHBondContact O-N 3.36Å; M91-L94 HydrophobicContact SD-CD1 4.46Å; L94-I99 HydrophobicContact CD2-CD1 4.41Å; L94-I99 HydrophobicContact CD2-CG2 4.4Å; L94-I99 PolarHBondContact O-N 3.03Å; L94-I100 HydrophobicContact CB-CD1 3.83Å; L94-I100 HydrophobicContact CB-CG1 4.17Å; L94-I100 HydrophobicContact CD1-CD1 4.06Å; L94-I100 HydrophobicContact CG-CD1 4.37Å; L94-I100 PolarHBondContact O-N 3.46Å
95A72.9Confident73.3Confident33 Ų3366.6 Ų66.627%0.27337%0.37SS..Hα-helixtrans-69.1-44.2174.200000111.6M91 Q92 K98 V102 F112M91-A95 WeakPolarHBondContact O-CB 3.37Å; M91-A95 PolarHBondContact O-N 2.88Å; Q92-A95 PolarHBondContact O-N 3.34Å; A95-K98 WeakPolarHBondContact O-CA 3.12Å; A95-K98 PolarHBondContact O-N 3.22Å; A95-V102 HydrophobicContact CB-CG2 4.25Å; A95-F112 HydrophobicContact CB-CE2 4.24Å; A95-F112 HydrophobicContact CB-CZ 4.5Å
96G68.1Low72.9Confident31 Ų3170.7 Ų70.732%0.3240%0.397SS..Hα-helixtrans-66.6-38.1-179.800000113.6Q92 L93 K98Q92-G96 PolarHBondContact O-N 3.43Å; L93-G96 PolarHBondContact O-N 2.68Å; G96-K98 PolarHBondContact O-N 3.48Å; G96-K98 VanDerWaalsContact O-N 3.16Å
97A73Confident72.7Confident58 Ų5876.3 Ų76.348%0.47942%0.417SS..THydrogen-bonded Turntrans-70.4-2.1172.400000113.1L93 I99L93-A97 WeakPolarHBondContact O-CB 3.23Å; L93-A97 PolarHBondContact O-N 3.21Å; A97-I99 HydrophobicContact CB-CD1 3.88Å; A97-I99 HydrophobicContact CB-CG1 3.89Å; A97-I99 PolarHBondContact O-N 3.05Å; A97-I99 VanDerWaalsContact O-N 3.08Å
98K70.4Confident72.3Confident176 Ų17677.7 Ų77.777%0.76543%0.425SS*.THydrogen-bonded Turntrans54.622.3-175.4-58.6-178.8179.5178.20113.8A95 G96 I100A95-K98 WeakPolarHBondContact O-CA 3.12Å; A95-K98 PolarHBondContact O-N 3.22Å; G96-K98 PolarHBondContact O-N 3.48Å; G96-K98 VanDerWaalsContact O-N 3.16Å; K98-I100 VanDerWaalsContact C-N 3.28Å
99I74.6Confident72.1Confident127 Ų12784 Ų8465%0.65145%0.447SS*.SBendtrans-70.3-35.4171.9-62.3172000108.8L94 A97L94-I99 HydrophobicContact CD2-CD1 4.41Å; L94-I99 HydrophobicContact CD2-CG2 4.4Å; L94-I99 PolarHBondContact O-N 3.03Å; A97-I99 HydrophobicContact CB-CD1 3.88Å; A97-I99 HydrophobicContact CB-CG1 3.89Å; A97-I99 PolarHBondContact O-N 3.05Å; A97-I99 VanDerWaalsContact O-N 3.08Å
100I67.8Low72Confident28 Ų2883.4 Ų83.414%0.14445%0.451CS..SBendtrans-112.8113.5172.6-56.1-179000108.5L94 K98 V102L94-I100 HydrophobicContact CB-CD1 3.83Å; L94-I100 HydrophobicContact CB-CG1 4.17Å; L94-I100 HydrophobicContact CD1-CD1 4.06Å; L94-I100 HydrophobicContact CG-CD1 4.37Å; L94-I100 PolarHBondContact O-N 3.46Å; K98-I100 VanDerWaalsContact C-N 3.28Å; I100-V102 HydrophobicContact CG2-CG2 3.87Å; I100-V102 PolarHBondContact O-N 3.31Å; I100-V102 VanDerWaalsContact O-N 3.15Å
101E62.7Low71.8Confident181 Ų18180.9 Ų80.985%0.84644%0.438SS*.  trans-76.497.6168.8-68.7-176.9171.900109.2
102V63.1Low71.8Confident49 Ų4982.1 Ų82.130%0.29744%0.443SS..  trans-86112.8171-173.70000107.7A95 I100 F112A95-V102 HydrophobicContact CB-CG2 4.25Å; I100-V102 HydrophobicContact CG2-CG2 3.87Å; I100-V102 PolarHBondContact O-N 3.31Å; I100-V102 VanDerWaalsContact O-N 3.15Å; V102-F112 HydrophobicContact CG1-CB 4.18Å; V102-F112 HydrophobicContact CG1-CD2 4.23Å; V102-F112 HydrophobicContact CG1-CG 4.32Å; V102-F112 HydrophobicContact CG2-CD2 3.54Å; V102-F112 HydrophobicContact CG2-CE2 3.85Å; V102-F112 HydrophobicContact CG2-CG 4.41Å
103G62.4Low71.9Confident29 Ų2981.7 Ų81.730%0.29944%0.444SS..  trans-68.5152.2173.300000111.8T105 D108G103-T105 PolarHBondContact O-N 3.03Å; G103-T105 VanDerWaalsContact O-N 3.12Å; G103-D108 WeakPolarHBondContact O-CB 3.39Å
104D65.4Low72.1Confident135 Ų13576.9 Ų76.972%0.72242%0.423SS*.SBendtrans-72.23.1173.3-83.9-47000113.8R109D104-R109 IonicContact OD1-CZ 3.5Å; D104-R109 IonicContact OD1-NE 3.74Å; D104-R109 IonicContact OD1-NH2 2.59Å; D104-R109 PolarHBondContact OD1-NH2 3.26Å
105T76.3Confident72.3Confident66 Ų6674.6 Ų74.641%0.40541%0.411SS..SBendtrans-67.1144.9-179.979.80000110.5G103 K107 D108 R109G103-T105 PolarHBondContact O-N 3.03Å; G103-T105 VanDerWaalsContact O-N 3.12Å; T105-K107 PolarHBondContact O-N 3.24Å; T105-K107 VanDerWaalsContact O-N 3.13Å; T105-D108 PolarHBondContact O-N 3.41Å; T105-D108 VanDerWaalsContact O-N 3.12Å; T105-D108 WeakPolarHBondContact OG1-CB 3.47Å; T105-D108 PolarHBondContact OG1-N 2.93Å; T105-D108 PolarHBondContact OG1-OD2 3.37Å; T105-R109 PolarHBondContact O-N 2.86Å
106P72.3Confident72.6Confident108 Ų10874.5 Ų74.570%0.70141%0.405SS*.Hα-helixtrans-61.2-25.9179.923.6-33.8000112.6A110P106-A110 WeakPolarHBondContact O-CB 3.4Å; P106-A110 PolarHBondContact O-N 2.85Å
107K74.4Confident73.3Confident166 Ų16674.1 Ų74.172%0.72240%0.395SS*.Hα-helixtrans-72.4-44.6175.4-67.8-174.6178.9-179.40111.7T105 A110 L111T105-K107 PolarHBondContact O-N 3.24Å; T105-K107 VanDerWaalsContact O-N 3.13Å; K107-A110 PolarHBondContact O-N 3.11Å; K107-L111 WeakPolarHBondContact O-CG 3.4Å; K107-L111 PolarHBondContact O-N 3.38Å
108D74.6Confident73.8Confident32 Ų3272.6 Ų72.617%0.17138%0.378CS..Hα-helixtrans-68.4-37.1179.6-63-33.7000111.3G103 T105 L111 F112G103-D108 WeakPolarHBondContact O-CB 3.39Å; T105-D108 PolarHBondContact O-N 3.41Å; T105-D108 VanDerWaalsContact O-N 3.12Å; T105-D108 WeakPolarHBondContact OG1-CB 3.47Å; T105-D108 PolarHBondContact OG1-N 2.93Å; T105-D108 PolarHBondContact OG1-OD2 3.37Å; D108-L111 PolarHBondContact O-N 3.31Å; D108-F112 WeakPolarHBondContact O-CB 3.48Å; D108-F112 PolarHBondContact O-N 3.34Å
109R73.7Confident74.4Confident138 Ų13867.1 Ų67.152%0.52136%0.355SS..Hα-helixtrans-63.2-40.1172.3-70.1-175.4177.3-172.41.2112.6D104 T105 F112 N113D104-R109 IonicContact OD1-CZ 3.5Å; D104-R109 IonicContact OD1-NE 3.74Å; D104-R109 IonicContact OD1-NH2 2.59Å; D104-R109 PolarHBondContact OD1-NH2 3.26Å; T105-R109 PolarHBondContact O-N 2.86Å; R109-F112 PolarHBondContact O-N 3.01Å; R109-N113 VanDerWaalsContact O-CG 3.24Å; R109-N113 PolarHBondContact O-N 3.4Å; R109-N113 PolarHBondContact O-OD1 3.47Å
110A74.1Confident74.9Confident47 Ų4761.1 Ų61.139%0.38832%0.324SS..Hα-helixtrans-65.4-41.8175.300000111.7P106 K107 N113 G114P106-A110 WeakPolarHBondContact O-CB 3.4Å; P106-A110 PolarHBondContact O-N 2.85Å; K107-A110 PolarHBondContact O-N 3.11Å; A110-N113 PolarHBondContact O-N 3.35Å; A110-G114 PolarHBondContact O-N 2.89Å
111L76.6Confident75.8Confident29 Ų2961.3 Ų61.315%0.15232%0.324CS..Hα-helixtrans-65.2-39.2175.5-70.9171.5000112.3L6 K10 K107 D108 G114 A115L6-L111 HydrophobicContact CB-CD1 4.39Å; L6-L111 HydrophobicContact CD2-CB 4.05Å; K10-L111 HydrophobicContact CG-CD2 3.77Å; K107-L111 WeakPolarHBondContact O-CG 3.4Å; K107-L111 PolarHBondContact O-N 3.38Å; D108-L111 PolarHBondContact O-N 3.31Å; L111-G114 PolarHBondContact O-N 3.09Å; L111-A115 VanDerWaalsContact O-CB 3.28Å; L111-A115 WeakPolarHBondContact O-CB 3.39Å; L111-A115 PolarHBondContact O-N 3.05Å
112F78.4Confident76.9Confident31 Ų3157.3 Ų57.314%0.13631%0.308CS..Hα-helixtrans-62-46.2175.4-175.7-95.4000111.5M91 A95 V102 D108 R109 A115 Q116M91-F112 HydrophobicContact CB-CE1 4.34Å; M91-F112 HydrophobicContact CB-CE2 3.98Å; M91-F112 HydrophobicContact CB-CZ 3.62Å; M91-F112 HydrophobicContact SD-CE2 4.16Å; A95-F112 HydrophobicContact CB-CE2 4.24Å; A95-F112 HydrophobicContact CB-CZ 4.5Å; V102-F112 HydrophobicContact CG1-CB 4.18Å; V102-F112 HydrophobicContact CG1-CD2 4.23Å; V102-F112 HydrophobicContact CG1-CG 4.32Å; V102-F112 HydrophobicContact CG2-CD2 3.54Å; V102-F112 HydrophobicContact CG2-CE2 3.85Å; V102-F112 HydrophobicContact CG2-CG 4.41Å; D108-F112 WeakPolarHBondContact O-CB 3.48Å; D108-F112 PolarHBondContact O-N 3.34Å; R109-F112 PolarHBondContact O-N 3.01Å; F112-A115 PolarHBondContact O-N 3.14Å; F112-Q116 WeakPolarHBondContact O-CB 3.25Å; F112-Q116 PolarHBondContact O-N 2.89Å
113N77.1Confident78Confident83 Ų8356.6 Ų56.644%0.44430%0.302SS..Hα-helixtrans-64-43176.4-68.1-5.9000111.8R109 A110 A115 Q116 K117R109-N113 VanDerWaalsContact O-CG 3.24Å; R109-N113 PolarHBondContact O-N 3.4Å; R109-N113 PolarHBondContact O-OD1 3.47Å; A110-N113 PolarHBondContact O-N 3.35Å; N113-A115 PolarHBondContact O-N 3.42Å; N113-Q116 PolarHBondContact O-N 3.3Å; N113-K117 PolarHBondContact O-N 3.45Å
114G78.6Confident79.2Confident18 Ų1855.3 Ų55.319%0.18629%0.288CS..Hα-helixtrans-62-41.5175.600000112.4A110 L111 K117 L118A110-G114 PolarHBondContact O-N 2.89Å; L111-G114 PolarHBondContact O-N 3.09Å; G114-K117 PolarHBondContact O-N 3.31Å; G114-L118 PolarHBondContact O-N 3.06Å
115A81.3Confident80.3Confident1 Ų152 Ų521%0.00827%0.27CS..Hα-helixtrans-64.6-48174.700000111.4I9 M91 L111 F112 N113 K117 L118 F119I9-A115 HydrophobicContact CD1-CB 3.9Å; I9-A115 HydrophobicContact CG2-CB 4.28Å; M91-A115 HydrophobicContact CE-CB 3.72Å; L111-A115 VanDerWaalsContact O-CB 3.28Å; L111-A115 WeakPolarHBondContact O-CB 3.39Å; L111-A115 PolarHBondContact O-N 3.05Å; F112-A115 PolarHBondContact O-N 3.14Å; N113-A115 PolarHBondContact O-N 3.42Å; A115-K117 PolarHBondContact O-N 3.09Å; A115-L118 WeakPolarHBondContact O-CB 3.43Å; A115-L118 PolarHBondContact O-N 2.91Å; A115-L118 VanDerWaalsContact O-N 3.08Å; A115-F119 VanDerWaalsContact O-CD2 3.28Å; A115-F119 WeakPolarHBondContact O-CD2 3.5Å; A115-F119 PolarHBondContact O-N 3Å
116Q80.4Confident80.7Confident32 Ų3250.5 Ų50.515%0.1527%0.268CS..Hα-helixtrans-54.3-42.6177.1-175.4-179.4-20.900111.3G88 M91 F112 N113 F119 G120G88-Q116 VanDerWaalsContact CA-NE2 3.27Å; M91-Q116 HydrophobicContact CG-CB 4.11Å; M91-Q116 HydrophobicContact CG-CG 4.31Å; F112-Q116 WeakPolarHBondContact O-CB 3.25Å; F112-Q116 PolarHBondContact O-N 2.89Å; N113-Q116 PolarHBondContact O-N 3.3Å; Q116-F119 PolarHBondContact O-N 2.91Å; Q116-G120 PolarHBondContact O-N 3.33Å
117K81.2Confident81.2Confident23 Ų2347.5 Ų47.510%0.124%0.244CC..Hα-helixtrans-64.4-45175.9-177.6173.6-173.4162.80113P17 N113 G114 A115 F119 G120 M121 L164 E167P17-K117 PolarHBondContact O-NZ 3.39Å; N113-K117 PolarHBondContact O-N 3.45Å; G114-K117 PolarHBondContact O-N 3.31Å; A115-K117 PolarHBondContact O-N 3.09Å; K117-F119 VanDerWaalsContact C-N 3.32Å; K117-F119 PolarHBondContact O-N 3.29Å; K117-G120 PolarHBondContact O-N 3.29Å; K117-G120 VanDerWaalsContact O-N 3.17Å; K117-M121 PolarHBondContact O-N 2.93Å; K117-L164 VanDerWaalsContact NZ-CD2 3.28Å; K117-E167 IonicContact NZ-OE2 3.46Å; K117-E167 PolarHBondContact NZ-OE2 3Å
118L84.5Confident81.6Confident26 Ų2639.6 Ų39.614%0.13621%0.21CC..Hα-helixtrans-59-46.7177.5-167.6158.2000110.6I9 F12 L16 G114 A115 G120 M121 I122I9-L118 HydrophobicContact CG2-CD1 4.02Å; F12-L118 HydrophobicContact CB-CD1 3.37Å; F12-L118 HydrophobicContact CG-CD1 4.18Å; L16-L118 HydrophobicContact CD1-CB 3.93Å; L16-L118 HydrophobicContact CD1-CD1 4.35Å; L16-L118 HydrophobicContact CD1-CG 4.4Å; G114-L118 PolarHBondContact O-N 3.06Å; A115-L118 WeakPolarHBondContact O-CB 3.43Å; A115-L118 PolarHBondContact O-N 2.91Å; A115-L118 VanDerWaalsContact O-N 3.08Å; L118-G120 VanDerWaalsContact C-N 3.35Å; L118-G120 PolarHBondContact O-N 3.31Å; L118-M121 PolarHBondContact O-N 3.15Å; L118-I122 HydrophobicContact CD2-CD1 3.36Å; L118-I122 HydrophobicContact CD2-CG1 4.03Å; L118-I122 WeakPolarHBondContact O-CG1 3.46Å; L118-I122 PolarHBondContact O-N 2.94Å
119F83.7Confident82Confident61 Ų6141.2 Ų41.227%0.26822%0.218SC..Hα-helixtrans-62.2-41.8174.4-83.4-80.4000112F5 I9 M91 A115 Q116 K117 M121 I122 I123F5-F119 HydrophobicContact CE1-CE2 4.08Å; F5-F119 HydrophobicContact CE1-CZ 4.05Å; F5-F119 HydrophobicContact CZ-CZ 4.13Å; I9-F119 HydrophobicContact CD1-CE2 4.42Å; M91-F119 HydrophobicContact CE-CD2 3.1Å; M91-F119 HydrophobicContact CE-CE2 3.29Å; M91-F119 HydrophobicContact CE-CG 4.06Å; M91-F119 HydrophobicContact CE-CZ 4.38Å; A115-F119 VanDerWaalsContact O-CD2 3.28Å; A115-F119 WeakPolarHBondContact O-CD2 3.5Å; A115-F119 PolarHBondContact O-N 3Å; Q116-F119 PolarHBondContact O-N 2.91Å; K117-F119 VanDerWaalsContact C-N 3.32Å; K117-F119 PolarHBondContact O-N 3.29Å; F119-M121 VanDerWaalsContact C-N 3.3Å; F119-M121 PolarHBondContact O-N 2.94Å; F119-I122 PolarHBondContact O-N 2.89Å; F119-I123 WeakPolarHBondContact O-CB 3.47Å; F119-I123 WeakPolarHBondContact O-CD1 3.06Å; F119-I123 WeakPolarHBondContact O-CG1 3.42Å; F119-I123 PolarHBondContact O-N 3Å
120G84.4Confident82.4Confident0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-55.2-45.917300000112Q116 K117 L118 I123 T124Q116-G120 PolarHBondContact O-N 3.33Å; K117-G120 PolarHBondContact O-N 3.29Å; K117-G120 VanDerWaalsContact O-N 3.17Å; L118-G120 VanDerWaalsContact C-N 3.35Å; L118-G120 PolarHBondContact O-N 3.31Å; G120-I123 PolarHBondContact O-N 2.75Å; G120-T124 VanDerWaalsContact O-CG2 3.3Å; G120-T124 WeakPolarHBondContact O-CG2 3.24Å; G120-T124 PolarHBondContact O-N 2.75Å
121M85.8Confident82.4Confident32 Ų3237.4 Ų37.416%0.15820%0.202CC..Hα-helixtrans-65.5-45177.9-168.6-177.2-67.900112.4L16 K117 L118 F119 I123 T124 I125 F156 L160L16-M121 HydrophobicContact CD2-CE 3.5Å; L16-M121 HydrophobicContact CD2-SD 4.05Å; K117-M121 PolarHBondContact O-N 2.93Å; L118-M121 PolarHBondContact O-N 3.15Å; F119-M121 VanDerWaalsContact C-N 3.3Å; F119-M121 PolarHBondContact O-N 2.94Å; M121-I123 VanDerWaalsContact C-N 3.29Å; M121-I123 PolarHBondContact O-N 3.05Å; M121-T124 WeakPolarHBondContact CA-OG1 3.47Å; M121-T124 PolarHBondContact O-N 3.42Å; M121-T124 PolarHBondContact O-OG1 2.69Å; M121-I125 WeakPolarHBondContact O-CG1 3.29Å; M121-I125 PolarHBondContact O-N 3.49Å; M121-I125 VanDerWaalsContact O-N 3.12Å; M121-F156 HydrophobicContact CG-CE2 3.65Å; M121-F156 HydrophobicContact CG-CZ 4.02Å; M121-F156 HydrophobicContact SD-CE2 4.36Å; M121-F156 HydrophobicContact SD-CZ 4.13Å; M121-L160 HydrophobicContact CE-CD1 4.14Å
122I87.3Confident82.5Confident98 Ų9836.4 Ų36.450%0.50320%0.197SC..Hα-helixtrans-60.6-42.4175.8-69178.7000110.7L118 F119 I125 G126L118-I122 HydrophobicContact CD2-CD1 3.36Å; L118-I122 HydrophobicContact CD2-CG1 4.03Å; L118-I122 WeakPolarHBondContact O-CG1 3.46Å; L118-I122 PolarHBondContact O-N 2.94Å; F119-I122 PolarHBondContact O-N 2.89Å; I122-I125 PolarHBondContact O-N 3.15Å; I122-G126 PolarHBondContact O-N 3.26Å
123I85.8Confident82.2Confident34 Ų3441.6 Ų41.617%0.17422%0.224CC..Hα-helixtrans-66.1-39.4178.1-66.4166000110.7P83 I90 F119 G120 M121 I125 G126 Q127P83-I123 HydrophobicContact CB-CB 4.27Å; P83-I123 HydrophobicContact CB-CG2 3.94Å; I90-I123 HydrophobicContact CD1-CD1 4.33Å; F119-I123 WeakPolarHBondContact O-CB 3.47Å; F119-I123 WeakPolarHBondContact O-CD1 3.06Å; F119-I123 WeakPolarHBondContact O-CG1 3.42Å; F119-I123 PolarHBondContact O-N 3Å; G120-I123 PolarHBondContact O-N 2.75Å; M121-I123 VanDerWaalsContact C-N 3.29Å; M121-I123 PolarHBondContact O-N 3.05Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 3.34Å; I123-G126 PolarHBondContact O-N 3.12Å; I123-Q127 HydrophobicContact CG2-CG 4.02Å; I123-Q127 WeakPolarHBondContact O-CB 3.46Å; I123-Q127 WeakPolarHBondContact O-CG 3.44Å; I123-Q127 PolarHBondContact O-N 3.34Å
124T86.9Confident81.9Confident1 Ų141.6 Ų41.61%0.00623%0.227CC..Hα-helixtrans-57.7-46.717559.70000111.5P83 G120 M121 A128 L163P83-T124 HydrophobicContact CB-CG2 3.46Å; P83-T124 VanDerWaalsContact CB-CG2 3.46Å; P83-T124 HydrophobicContact CG-CG2 3.52Å; G120-T124 VanDerWaalsContact O-CG2 3.3Å; G120-T124 WeakPolarHBondContact O-CG2 3.24Å; G120-T124 PolarHBondContact O-N 2.75Å; M121-T124 WeakPolarHBondContact CA-OG1 3.47Å; M121-T124 PolarHBondContact O-N 3.42Å; M121-T124 PolarHBondContact O-OG1 2.69Å; T124-A128 VanDerWaalsContact O-CB 3.24Å; T124-A128 WeakPolarHBondContact O-CB 2.92Å; T124-A128 PolarHBondContact O-N 3.38Å; T124-L163 HydrophobicContact CG2-CD1 4.08Å
125I88.2Confident81.3Confident66 Ų6641.8 Ų41.834%0.33823%0.229SC..Hα-helixtrans-65.3-47.6179.7-65170000109.7M121 I122 I123 Q127 A128 I129 F156M121-I125 WeakPolarHBondContact O-CG1 3.29Å; M121-I125 PolarHBondContact O-N 3.49Å; M121-I125 VanDerWaalsContact O-N 3.12Å; I122-I125 PolarHBondContact O-N 3.15Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 3.34Å; I125-Q127 PolarHBondContact O-N 3.27Å; I125-A128 PolarHBondContact O-N 2.92Å; I125-I129 HydrophobicContact CG2-CD1 3.73Å; I125-I129 HydrophobicContact CG2-CG1 4.46Å; I125-I129 VanDerWaalsContact O-CG1 3.27Å; I125-I129 WeakPolarHBondContact O-CG1 3.45Å; I125-I129 PolarHBondContact O-N 3.46Å; I125-F156 HydrophobicContact CD1-CD2 4.01Å; I125-F156 HydrophobicContact CD1-CE2 3.53Å; I125-F156 HydrophobicContact CD1-CZ 4.15Å; I125-F156 HydrophobicContact CG1-CD2 3.32Å; I125-F156 HydrophobicContact CG1-CE2 3.35Å; I125-F156 HydrophobicContact CG1-CG 4.3Å; I125-F156 HydrophobicContact CG1-CZ 4.36Å
126G85.4Confident80.6Confident35 Ų3543.1 Ų43.136%0.36124%0.235SC..Hα-helixtrans-59.7-47.2179.800000112.5I122 I123 I129 V130I122-G126 PolarHBondContact O-N 3.26Å; I123-G126 PolarHBondContact O-N 3.12Å; G126-I129 PolarHBondContact O-N 3.25Å; G126-V130 VanDerWaalsContact O-CG2 3.26Å; G126-V130 WeakPolarHBondContact O-CG2 3.39Å; G126-V130 PolarHBondContact O-N 2.96Å
127Q82Confident79.7Confident45 Ų4542 Ų4221%0.2123%0.229CC..Hα-helixtrans-67.4-40.5178.4-73-177.4-1700112.1L79 S82 I123 I125 I129 V130 Y131L79-Q127 HydrophobicContact CD2-CB 3.27Å; L79-Q127 HydrophobicContact CD2-CG 4.36Å; S82-Q127 PolarHBondContact OG-OE1 3.41Å; I123-Q127 HydrophobicContact CG2-CG 4.02Å; I123-Q127 WeakPolarHBondContact O-CB 3.46Å; I123-Q127 WeakPolarHBondContact O-CG 3.44Å; I123-Q127 PolarHBondContact O-N 3.34Å; I125-Q127 PolarHBondContact O-N 3.27Å; Q127-I129 PolarHBondContact O-N 3.18Å; Q127-V130 PolarHBondContact O-N 2.94Å; Q127-Y131 WeakPolarHBondContact O-CB 3.42Å; Q127-Y131 PolarHBondContact O-N 3.26Å
128A83.2Confident78.9Confident0 Ų041.6 Ų41.60%023%0.232CC..Hα-helixtrans-60.7-43.8176.100000111.9L79 T124 I125 V132 I152 L155L79-A128 HydrophobicContact CD1-CB 4.24Å; T124-A128 VanDerWaalsContact O-CB 3.24Å; T124-A128 WeakPolarHBondContact O-CB 2.92Å; T124-A128 PolarHBondContact O-N 3.38Å; I125-A128 PolarHBondContact O-N 2.92Å; A128-V132 WeakPolarHBondContact O-CG2 3.41Å; A128-V132 PolarHBondContact O-N 3.18Å; A128-V132 VanDerWaalsContact O-N 3.15Å; A128-I152 HydrophobicContact CB-CG2 4.45Å; A128-L155 HydrophobicContact CB-CB 4.1Å; A128-L155 HydrophobicContact CB-CD1 4.3Å
129I83.4Confident77.9Confident65 Ų6545 Ų4533%0.33325%0.251SS..Hα-helixtrans-62.7-48.1175.6-68166.9000110.3I125 G126 Q127 Y131 V132 M133 I152I125-I129 HydrophobicContact CG2-CD1 3.73Å; I125-I129 HydrophobicContact CG2-CG1 4.46Å; I125-I129 VanDerWaalsContact O-CG1 3.27Å; I125-I129 WeakPolarHBondContact O-CG1 3.45Å; I125-I129 PolarHBondContact O-N 3.46Å; G126-I129 PolarHBondContact O-N 3.25Å; Q127-I129 PolarHBondContact O-N 3.18Å; I129-Y131 PolarHBondContact O-N 2.67Å; I129-V132 PolarHBondContact O-N 3.12Å; I129-M133 HydrophobicContact CG2-CG 4.13Å; I129-M133 HydrophobicContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact O-CB 3.31Å; I129-M133 WeakPolarHBondContact O-CB 3.45Å; I129-M133 VanDerWaalsContact O-CG 3.26Å; I129-M133 WeakPolarHBondContact O-CG 3.49Å; I129-M133 PolarHBondContact O-N 3.04Å; I129-I152 HydrophobicContact CG1-CD1 4.31Å; I129-I152 HydrophobicContact CG1-CG2 4.35Å
130V81.8Confident76.9Confident80 Ų8044.8 Ų44.849%0.48526%0.255SS..Hα-helixtrans-60.4-47-179.7170.20000110.9G126 Q127 V132 M133 T134G126-V130 VanDerWaalsContact O-CG2 3.26Å; G126-V130 WeakPolarHBondContact O-CG2 3.39Å; G126-V130 PolarHBondContact O-N 2.96Å; Q127-V130 PolarHBondContact O-N 2.94Å; V130-V132 PolarHBondContact O-N 2.92Å; V130-M133 PolarHBondContact O-N 3.17Å; V130-T134 HydrophobicContact CG1-CG2 3.93Å; V130-T134 WeakPolarHBondContact O-CB 3.38Å; V130-T134 WeakPolarHBondContact O-CG2 3.47Å; V130-T134 PolarHBondContact O-N 3.13Å; V130-T134 PolarHBondContact O-OG1 3.4Å
131Y75.3Confident75.8Confident26 Ų2649.9 Ų49.910%0.10229%0.291CS..Hα-helixtrans-61.6-42.6180-73-19.5000113.1F62 L79 Q127 I129 T134 M136F62-Y131 AromaticContact CE2-CE1 3.92Å; F62-Y131 HydrophobicContact CE2-CE1 3.92Å; F62-Y131 HydrophobicContact CZ-CE1 4.36Å; L79-Y131 HydrophobicContact CD2-CD2 4.32Å; L79-Y131 HydrophobicContact CD2-CE2 4.18Å; L79-Y131 HydrophobicContact CG-CD2 4.48Å; L79-Y131 HydrophobicContact CG-CE2 4.41Å; Q127-Y131 WeakPolarHBondContact O-CB 3.42Å; Q127-Y131 PolarHBondContact O-N 3.26Å; I129-Y131 PolarHBondContact O-N 2.67Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.43Å; Y131-T134 PolarHBondContact O-OG1 2.64Å; Y131-M136 HydrophobicContact CD1-SD 3.82Å; Y131-M136 HydrophobicContact CE1-SD 4.23Å; Y131-M136 HydrophobicContact CG-SD 4.39Å
132V77Confident74.9Confident8 Ų856.2 Ų56.25%0.04832%0.32CS..Hα-helixtrans-68.3-40.8176.2176.60000111.6A128 I129 V130 G135 Y137 C148 I151 I152A128-V132 WeakPolarHBondContact O-CG2 3.41Å; A128-V132 PolarHBondContact O-N 3.18Å; A128-V132 VanDerWaalsContact O-N 3.15Å; I129-V132 PolarHBondContact O-N 3.12Å; V130-V132 PolarHBondContact O-N 2.92Å; V132-G135 PolarHBondContact O-N 3.17Å; V132-Y137 HydrophobicContact CG2-CD2 4.02Å; V132-Y137 HydrophobicContact CG2-CE2 3.98Å; V132-C148 HydrophobicContact CG1-CB 3.68Å; V132-I151 HydrophobicContact CG2-CB 4.33Å; V132-I151 HydrophobicContact CG2-CG2 3.74Å; V132-I152 HydrophobicContact CB-CD1 4.4Å; V132-I152 HydrophobicContact CB-CG1 4.14Å; V132-I152 HydrophobicContact CG1-CD1 4.4Å; V132-I152 HydrophobicContact CG1-CG1 4.4Å; V132-I152 HydrophobicContact CG2-CG1 3.83Å
133M73.3Confident73.7Confident139 Ų13952.2 Ų52.269%0.68530%0.3SS*.Hα-helixtrans-72.4-29.7179.6-72.2-174.773.300113.8I129 V130 G135I129-M133 HydrophobicContact CG2-CG 4.13Å; I129-M133 HydrophobicContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact O-CB 3.31Å; I129-M133 WeakPolarHBondContact O-CB 3.45Å; I129-M133 VanDerWaalsContact O-CG 3.26Å; I129-M133 WeakPolarHBondContact O-CG 3.49Å; I129-M133 PolarHBondContact O-N 3.04Å; V130-M133 PolarHBondContact O-N 3.17Å; M133-G135 PolarHBondContact O-N 3.49Å
134T71.4Confident72.9Confident83 Ų8352.2 Ų52.251%0.50931%0.308SS..THydrogen-bonded Turntrans-71.5-1.2176.453.50000113.4V130 Y131 M136V130-T134 HydrophobicContact CG1-CG2 3.93Å; V130-T134 WeakPolarHBondContact O-CB 3.38Å; V130-T134 WeakPolarHBondContact O-CG2 3.47Å; V130-T134 PolarHBondContact O-N 3.13Å; V130-T134 PolarHBondContact O-OG1 3.4Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.43Å; Y131-T134 PolarHBondContact O-OG1 2.64Å; T134-M136 VanDerWaalsContact C-N 3.29Å; T134-M136 PolarHBondContact O-N 2.88Å
135G65.6Low72.4Confident22 Ų2256.2 Ų56.223%0.22734%0.341CS..THydrogen-bonded Turntrans74.816176.400000113.9V132 M133 Y137 G138V132-G135 PolarHBondContact O-N 3.17Å; M133-G135 PolarHBondContact O-N 3.49Å; G135-Y137 PolarHBondContact O-N 2.87Å; G135-Y137 VanDerWaalsContact O-N 3.11Å; G135-G138 WeakPolarHBondContact CA-O 3.35Å; G135-G138 PolarHBondContact O-N 3.25Å; G135-G138 VanDerWaalsContact O-N 3.08Å
136M65.1Low72Confident29 Ų2955.8 Ų55.814%0.14335%0.353CS..THydrogen-bonded Turntrans-60.5-23-178.5-74.4-170.967.100113.5F62 Y131 T134F62-M136 HydrophobicContact CD2-CE 4.09Å; F62-M136 HydrophobicContact CD2-SD 4.45Å; F62-M136 HydrophobicContact CE2-CE 4.32Å; F62-M136 HydrophobicContact CE2-SD 4.08Å; Y131-M136 HydrophobicContact CD1-SD 3.82Å; Y131-M136 HydrophobicContact CE1-SD 4.23Å; Y131-M136 HydrophobicContact CG-SD 4.39Å; T134-M136 VanDerWaalsContact C-N 3.29Å; T134-M136 PolarHBondContact O-N 2.88Å
137Y63Low71.7Confident8 Ų857.3 Ų57.33%0.03135%0.352CS..THydrogen-bonded Turntrans-103.2-3.9179.1-53.4-61.4000114.2L50 I53 E78 V132 G135 I151L50-Y137 HydrophobicContact CD1-CE1 4.4Å; I53-Y137 HydrophobicContact CG1-CD1 4.49Å; E78-Y137 VanDerWaalsContact CD-CE1 3.45Å; E78-Y137 WeakPolarHBondContact CG-OH 3.35Å; E78-Y137 WeakPolarHBondContact OE1-CE1 3.19Å; E78-Y137 PolarHBondContact OE1-OH 3.44Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.37Å; E78-Y137 PolarHBondContact OE2-OH 3.41Å; E78-Y137 VanDerWaalsContact OE2-OH 3.12Å; V132-Y137 HydrophobicContact CG2-CD2 4.02Å; V132-Y137 HydrophobicContact CG2-CE2 3.98Å; G135-Y137 PolarHBondContact O-N 2.87Å; G135-Y137 VanDerWaalsContact O-N 3.11Å; Y137-I151 HydrophobicContact CD2-CG2 4.45Å; Y137-I151 HydrophobicContact CE2-CG2 4.43Å
138G63Low71.5Confident16 Ų1655.9 Ų55.917%0.16535%0.347CS..SBendtrans132.5158-16900000111.2G135G135-G138 WeakPolarHBondContact CA-O 3.35Å; G135-G138 PolarHBondContact O-N 3.25Å; G135-G138 VanDerWaalsContact O-N 3.08Å
139D64.4Low71.6Confident98 Ų9861 Ų6152%0.52437%0.374SS..  trans-64.2129.8177.1-89.9-47.1000110.3S141 E142 M143D139-S141 PolarHBondContact O-N 3.27Å; D139-E142 HydrophobicContact CB-CG 4.48Å; D139-E142 PolarHBondContact O-N 3.25Å; D139-M143 PolarHBondContact O-N 3.49Å
140P62.5Low71.7Confident55 Ų5561.6 Ų61.636%0.35738%0.377SS..Hα-helixtrans-56.2-22.6-177.9-27.234.3000114.5
141S62.5Low71.8Confident107 Ų10757.8 Ų57.875%0.74835%0.354SS*.Hα-helixtrans-74.1-27.1176.142.40000114D139D139-S141 PolarHBondContact O-N 3.27Å
142E65.4Low72.3Confident165 Ų16558.6 Ų58.677%0.77136%0.36SS*.Hα-helixtrans-93.6-31.9-179.4-62.8-170.9164.700112.3D139D139-E142 HydrophobicContact CB-CG 4.48Å; D139-E142 PolarHBondContact O-N 3.25Å
143M63.1Low72.9Confident15 Ų1562.7 Ų62.77%0.07438%0.38CS..Hα-helixtrans-76-22.3179.7-66-179.272.400113.7G52 D139 I147 I151G52-M143 WeakPolarHBondContact O-CE 3.45Å; D139-M143 PolarHBondContact O-N 3.49Å; M143-I147 HydrophobicContact CE-CG2 4.2Å; M143-I147 WeakPolarHBondContact O-CB 3.44Å; M143-I147 WeakPolarHBondContact O-CD1 3.08Å; M143-I147 WeakPolarHBondContact O-CG1 3.42Å; M143-I151 HydrophobicContact CE-CD1 3.45Å; M143-I151 VanDerWaalsContact CE-CD1 3.45Å
144G69.4Low73.6Confident34 Ų3458 Ų5835%0.35136%0.357SS..  trans74.8136.5-172.800000112.9G146 I147 C148G144-G146 PolarHBondContact O-N 3.46Å; G144-I147 PolarHBondContact O-N 2.87Å; G144-C148 PolarHBondContact O-N 3.41Å
145A75.6Confident74.3Confident85 Ų8554.1 Ų54.170%0.70233%0.333SS*.Hα-helixtrans-56.3-27-174.200000114.3L149A145-L149 WeakPolarHBondContact O-CB 3.15Å; A145-L149 PolarHBondContact O-N 2.83Å
146G79.6Confident75.4Confident57 Ų5755.6 Ų55.659%0.58833%0.333SS*.Hα-helixtrans-67.8-41.1177.100000113.9G144 L150G144-G146 PolarHBondContact O-N 3.46Å; G146-L150 PolarHBondContact O-N 3.43Å; G146-L150 VanDerWaalsContact O-N 3.09Å
147I80.1Confident76.6Confident67 Ų6757.8 Ų57.834%0.34435%0.348SS..Hα-helixtrans-72.7-41.7178.6-59-175.7000109.7M143 G144 L149 L150 I151M143-I147 HydrophobicContact CE-CG2 4.2Å; M143-I147 WeakPolarHBondContact O-CB 3.44Å; M143-I147 WeakPolarHBondContact O-CD1 3.08Å; M143-I147 WeakPolarHBondContact O-CG1 3.42Å; G144-I147 PolarHBondContact O-N 2.87Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.36Å; I147-L150 PolarHBondContact O-N 2.91Å; I147-L150 VanDerWaalsContact O-N 3.14Å; I147-I151 HydrophobicContact CG2-CD1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.33Å; I147-I151 PolarHBondContact O-N 2.83Å
148C77.7Confident77.8Confident14 Ų1457.6 Ų57.610%0.09535%0.348CS..Hα-helixtrans-56.6-44.6173.9-64.40000112V132 G144 L150 I151 I152V132-C148 HydrophobicContact CG1-CB 3.68Å; G144-C148 PolarHBondContact O-N 3.41Å; C148-L150 VanDerWaalsContact C-N 3.35Å; C148-L150 PolarHBondContact O-N 3.33Å; C148-I151 PolarHBondContact O-N 3.35Å; C148-I152 WeakPolarHBondContact O-CG1 3.38Å; C148-I152 PolarHBondContact O-N 3.34Å; C148-I152 VanDerWaalsContact O-N 3.09Å
149L83.9Confident78.9Confident108 Ų10857.2 Ų57.257%0.56534%0.344SS*.Hα-helixtrans-65.7-37177.3-174.1136.2000112.2A145 I147 I152 I153A145-L149 WeakPolarHBondContact O-CB 3.15Å; A145-L149 PolarHBondContact O-N 2.83Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.36Å; L149-I152 PolarHBondContact O-N 3.44Å; L149-I153 HydrophobicContact CD2-CD1 3.59Å; L149-I153 HydrophobicContact CG-CD1 4.37Å; L149-I153 WeakPolarHBondContact O-CG1 3.44Å; L149-I153 PolarHBondContact O-N 2.93Å
150L85.8Confident80Confident77 Ų7754.5 Ų54.540%0.40333%0.329SS..Hα-helixtrans-65.1-42.4175.9-164.3154000111.6F51 G146 I147 C148 I152 I153 Q154F51-L150 HydrophobicContact CB-CD2 4.29Å; F51-L150 HydrophobicContact CD1-CD2 3.93Å; F51-L150 HydrophobicContact CG-CD2 4.44Å; G146-L150 PolarHBondContact O-N 3.43Å; G146-L150 VanDerWaalsContact O-N 3.09Å; I147-L150 PolarHBondContact O-N 2.91Å; I147-L150 VanDerWaalsContact O-N 3.14Å; C148-L150 VanDerWaalsContact C-N 3.35Å; C148-L150 PolarHBondContact O-N 3.33Å; L150-I152 PolarHBondContact O-N 2.93Å; L150-I153 PolarHBondContact O-N 3.49Å; L150-Q154 WeakPolarHBondContact O-CB 3.32Å; L150-Q154 PolarHBondContact O-N 3.01Å
151I83.6Confident81.2Confident1 Ų155 Ų551%0.00533%0.328CS..Hα-helixtrans-60.9-44.4175.3-66.9168000110.7F51 V132 Y137 M143 I147 C148 I153 Q154 L155F51-I151 VanDerWaalsContact O-CG1 3.28Å; F51-I151 WeakPolarHBondContact O-CG1 3.34Å; V132-I151 HydrophobicContact CG2-CB 4.33Å; V132-I151 HydrophobicContact CG2-CG2 3.74Å; Y137-I151 HydrophobicContact CD2-CG2 4.45Å; Y137-I151 HydrophobicContact CE2-CG2 4.43Å; M143-I151 HydrophobicContact CE-CD1 3.45Å; M143-I151 VanDerWaalsContact CE-CD1 3.45Å; I147-I151 HydrophobicContact CG2-CD1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.33Å; I147-I151 PolarHBondContact O-N 2.83Å; C148-I151 PolarHBondContact O-N 3.35Å; I151-I153 VanDerWaalsContact C-N 3.33Å; I151-I153 PolarHBondContact O-N 2.74Å; I151-Q154 PolarHBondContact O-N 3.44Å; I151-L155 HydrophobicContact CG2-CD1 3.85Å; I151-L155 HydrophobicContact CG2-CG 4.23Å; I151-L155 WeakPolarHBondContact O-CB 3.31Å; I151-L155 WeakPolarHBondContact O-CG 3.27Å; I151-L155 PolarHBondContact O-N 3.25Å
152I86.3Confident82.4Confident43 Ų4350 Ų5022%0.22129%0.293CS..Hα-helixtrans-59.3-45.9177.6-66.7167.6000110.6A128 I129 V132 C148 L149 L150 F156A128-I152 HydrophobicContact CB-CG2 4.45Å; I129-I152 HydrophobicContact CG1-CD1 4.31Å; I129-I152 HydrophobicContact CG1-CG2 4.35Å; V132-I152 HydrophobicContact CB-CD1 4.4Å; V132-I152 HydrophobicContact CB-CG1 4.14Å; V132-I152 HydrophobicContact CG1-CD1 4.4Å; V132-I152 HydrophobicContact CG1-CG1 4.4Å; V132-I152 HydrophobicContact CG2-CG1 3.83Å; C148-I152 WeakPolarHBondContact O-CG1 3.38Å; C148-I152 PolarHBondContact O-N 3.34Å; C148-I152 VanDerWaalsContact O-N 3.09Å; L149-I152 PolarHBondContact O-N 3.44Å; L150-I152 PolarHBondContact O-N 2.93Å; I152-F156 VanDerWaalsContact O-CB 3.28Å; I152-F156 WeakPolarHBondContact O-CB 3.42Å; I152-F156 PolarHBondContact O-N 3.37Å
153I89.4Confident83.4Confident93 Ų9342.8 Ų42.848%0.47726%0.26SS..Hα-helixtrans-64.2-43.5178-68.3171.7000110.8L149 L150 I151 F156 V157L149-I153 HydrophobicContact CD2-CD1 3.59Å; L149-I153 HydrophobicContact CG-CD1 4.37Å; L149-I153 WeakPolarHBondContact O-CG1 3.44Å; L149-I153 PolarHBondContact O-N 2.93Å; L150-I153 PolarHBondContact O-N 3.49Å; I151-I153 VanDerWaalsContact C-N 3.33Å; I151-I153 PolarHBondContact O-N 2.74Å; I153-F156 PolarHBondContact O-N 2.88Å; I153-V157 HydrophobicContact CG2-CG2 4.32Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.42Å; I153-V157 PolarHBondContact O-N 2.84Å
154Q88.9Confident84.6Confident42 Ų4244.2 Ų44.220%0.19627%0.267CS..Hα-helixtrans-61.6-46.1179.5-175.3173.7-0.400111.6L50 L76 L150 I151 V157 A158L50-Q154 HydrophobicContact CD2-CG 4.04Å; L76-Q154 HydrophobicContact CD2-CG 3.46Å; L76-Q154 VanDerWaalsContact CD2-CG 3.46Å; L150-Q154 WeakPolarHBondContact O-CB 3.32Å; L150-Q154 PolarHBondContact O-N 3.01Å; I151-Q154 PolarHBondContact O-N 3.44Å; Q154-V157 PolarHBondContact O-N 3.03Å; Q154-A158 WeakPolarHBondContact O-CB 3.31Å; Q154-A158 PolarHBondContact O-N 2.93Å
155L86.4Confident85.5Confident0 Ų043.3 Ų43.30%025%0.254CS..Hα-helixtrans-64.9-38.7175.7-73.9177.1000112.3L50 E78 L79 A128 I151 A158 G159L50-L155 HydrophobicContact CD1-CD2 4.02Å; L50-L155 HydrophobicContact CD2-CD2 3.74Å; L50-L155 HydrophobicContact CD2-CG 4.21Å; E78-L155 HydrophobicContact CB-CD2 4.15Å; L79-L155 HydrophobicContact CD1-CB 3.69Å; L79-L155 HydrophobicContact CD1-CD1 4.26Å; L79-L155 HydrophobicContact CD1-CD2 3.99Å; L79-L155 HydrophobicContact CD1-CG 4.2Å; A128-L155 HydrophobicContact CB-CB 4.1Å; A128-L155 HydrophobicContact CB-CD1 4.3Å; I151-L155 HydrophobicContact CG2-CD1 3.85Å; I151-L155 HydrophobicContact CG2-CG 4.23Å; I151-L155 WeakPolarHBondContact O-CB 3.31Å; I151-L155 WeakPolarHBondContact O-CG 3.27Å; I151-L155 PolarHBondContact O-N 3.25Å; L155-A158 PolarHBondContact O-N 3.22Å; L155-G159 PolarHBondContact O-N 2.94Å
156F87.9Confident86Confident54 Ų5439.6 Ų39.624%0.23722%0.223CC..Hα-helixtrans-64.3-46175.8177-110.8000112M121 I125 I152 I153 G159 L160M121-F156 HydrophobicContact CG-CE2 3.65Å; M121-F156 HydrophobicContact CG-CZ 4.02Å; M121-F156 HydrophobicContact SD-CE2 4.36Å; M121-F156 HydrophobicContact SD-CZ 4.13Å; I125-F156 HydrophobicContact CD1-CD2 4.01Å; I125-F156 HydrophobicContact CD1-CE2 3.53Å; I125-F156 HydrophobicContact CD1-CZ 4.15Å; I125-F156 HydrophobicContact CG1-CD2 3.32Å; I125-F156 HydrophobicContact CG1-CE2 3.35Å; I125-F156 HydrophobicContact CG1-CG 4.3Å; I125-F156 HydrophobicContact CG1-CZ 4.36Å; I152-F156 VanDerWaalsContact O-CB 3.28Å; I152-F156 WeakPolarHBondContact O-CB 3.42Å; I152-F156 PolarHBondContact O-N 3.37Å; I153-F156 PolarHBondContact O-N 2.88Å; F156-G159 PolarHBondContact O-N 3.38Å; F156-L160 HydrophobicContact CE1-CD1 4.3Å; F156-L160 HydrophobicContact CZ-CD1 4.17Å; F156-L160 WeakPolarHBondContact O-CB 3.32Å; F156-L160 PolarHBondContact O-N 3.05Å
157V89.6Confident86.2Confident75 Ų7537.9 Ų37.946%0.45520%0.2SC..Hα-helixtrans-63.4-43.7177.4172.10000110.7I153 Q154 L160 I161I153-V157 HydrophobicContact CG2-CG2 4.32Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.42Å; I153-V157 PolarHBondContact O-N 2.84Å; Q154-V157 PolarHBondContact O-N 3.03Å; V157-L160 PolarHBondContact O-N 3.35Å; V157-I161 HydrophobicContact CG1-CD1 4.07Å; V157-I161 VanDerWaalsContact O-CG1 3.31Å; V157-I161 WeakPolarHBondContact O-CG1 3.23Å; V157-I161 PolarHBondContact O-N 3.46Å
158A87.7Confident86.5Confident4 Ų436 Ų363%0.03319%0.19CC..Hα-helixtrans-61.2-46.7175.600000112L76 Q154 L155 L160 I161 V162L76-A158 HydrophobicContact CB-CB 4.1Å; L76-A158 HydrophobicContact CD2-CB 4.41Å; L76-A158 VanDerWaalsContact O-CB 3.26Å; L76-A158 WeakPolarHBondContact O-CB 3.34Å; Q154-A158 WeakPolarHBondContact O-CB 3.31Å; Q154-A158 PolarHBondContact O-N 2.93Å; L155-A158 PolarHBondContact O-N 3.22Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 2.97Å; A158-I161 WeakPolarHBondContact O-CB 3.22Å; A158-I161 PolarHBondContact O-N 3.38Å; A158-V162 VanDerWaalsContact O-CG2 3.31Å; A158-V162 WeakPolarHBondContact O-CG2 3.47Å; A158-V162 PolarHBondContact O-N 3.46Å
159G86.4Confident86.8Confident7 Ų735.4 Ų35.47%0.07219%0.186CC..Hα-helixtrans-61.1-37.5176.300000113.1L155 F156 V162 L163L155-G159 PolarHBondContact O-N 2.94Å; F156-G159 PolarHBondContact O-N 3.38Å; G159-V162 PolarHBondContact O-N 3.25Å; G159-L163 WeakPolarHBondContact O-CB 3.48Å; G159-L163 WeakPolarHBondContact O-CG 3.47Å; G159-L163 PolarHBondContact O-N 3.33Å
160L87.8Confident86.7Confident42 Ų4234.7 Ų34.722%0.2218%0.18CC..Hα-helixtrans-66.4-40.9175.3-169.7151.1000111.7M121 F156 V157 A158 L163 L164M121-L160 HydrophobicContact CE-CD1 4.14Å; F156-L160 HydrophobicContact CE1-CD1 4.3Å; F156-L160 HydrophobicContact CZ-CD1 4.17Å; F156-L160 WeakPolarHBondContact O-CB 3.32Å; F156-L160 PolarHBondContact O-N 3.05Å; V157-L160 PolarHBondContact O-N 3.35Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 2.97Å; L160-L163 PolarHBondContact O-N 3.41Å; L160-L164 HydrophobicContact CD2-CD1 3.52Å; L160-L164 HydrophobicContact CD2-CG 4.12Å; L160-L164 WeakPolarHBondContact O-CG 3.27Å; L160-L164 PolarHBondContact O-N 3.22Å
161I88.7Confident86.5Confident65 Ų6532.8 Ų32.833%0.33317%0.168SC..Hα-helixtrans-60.2-46.8174.5-68.1164.6000110.2V157 A158 L163 L164 L165V157-I161 HydrophobicContact CG1-CD1 4.07Å; V157-I161 VanDerWaalsContact O-CG1 3.31Å; V157-I161 WeakPolarHBondContact O-CG1 3.23Å; V157-I161 PolarHBondContact O-N 3.46Å; A158-I161 WeakPolarHBondContact O-CB 3.22Å; A158-I161 PolarHBondContact O-N 3.38Å; I161-L163 PolarHBondContact O-N 3.24Å; I161-L164 PolarHBondContact O-N 3.07Å; I161-L165 HydrophobicContact CG2-CD1 3.91Å; I161-L165 HydrophobicContact CG2-CG 4.24Å; I161-L165 VanDerWaalsContact O-CG 3.32Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.84Å
162V87.4Confident86.2Confident2 Ų234 Ų341%0.01218%0.181CC..Hα-helixtrans-61.8-43.9179.1-175.40000111.2M77 I84 A158 G159 L164 L165 D166 F182M77-V162 HydrophobicContact CE-CG2 3.43Å; M77-V162 VanDerWaalsContact CE-CG2 3.43Å; M77-V162 HydrophobicContact SD-CG2 3.4Å; M77-V162 WeakPolarHBondContact SD-CG2 3.42Å; I84-V162 HydrophobicContact CD1-CB 4.26Å; I84-V162 HydrophobicContact CD1-CG1 3.58Å; A158-V162 VanDerWaalsContact O-CG2 3.31Å; A158-V162 WeakPolarHBondContact O-CG2 3.47Å; A158-V162 PolarHBondContact O-N 3.46Å; G159-V162 PolarHBondContact O-N 3.25Å; V162-L164 VanDerWaalsContact C-N 3.3Å; V162-L164 PolarHBondContact O-N 2.7Å; V162-L165 PolarHBondContact O-N 3.24Å; V162-D166 PolarHBondContact O-N 2.58Å; V162-F182 HydrophobicContact CG1-CD2 4.39Å; V162-F182 HydrophobicContact CG1-CE2 4.12Å
163L86.9Confident85.9Confident13 Ų1334.2 Ų34.27%0.06818%0.179CC..Hα-helixtrans-58.1-42175.8-82.2164.3000111.9I84 T124 G159 L160 I161 E167I84-L163 HydrophobicContact CB-CD2 4.33Å; I84-L163 HydrophobicContact CD1-CB 4.49Å; I84-L163 HydrophobicContact CD1-CD2 3.84Å; I84-L163 HydrophobicContact CD1-CG 3.98Å; I84-L163 HydrophobicContact CG1-CD2 3.58Å; I84-L163 HydrophobicContact CG1-CG 4Å; I84-L163 HydrophobicContact CG2-CD2 4.31Å; T124-L163 HydrophobicContact CG2-CD1 4.08Å; G159-L163 WeakPolarHBondContact O-CB 3.48Å; G159-L163 WeakPolarHBondContact O-CG 3.47Å; G159-L163 PolarHBondContact O-N 3.33Å; L160-L163 PolarHBondContact O-N 3.41Å; I161-L163 PolarHBondContact O-N 3.24Å; L163-E167 WeakPolarHBondContact O-CB 3.41Å; L163-E167 PolarHBondContact O-N 3.04Å; L163-E167 VanDerWaalsContact O-N 3.13Å
164L87.1Confident85.3Confident45 Ų4530 Ų3024%0.23616%0.159CC..Hα-helixtrans-69.9-39.7176.2-70.2176.7000112.3I19 K117 L160 I161 V162 E167 L168I19-L164 HydrophobicContact CD1-CB 4.32Å; I19-L164 HydrophobicContact CD1-CD2 4.4Å; I19-L164 WeakPolarHBondContact CD1-O 3.27Å; I19-L164 HydrophobicContact CG1-CD2 4.25Å; K117-L164 VanDerWaalsContact NZ-CD2 3.28Å; L160-L164 HydrophobicContact CD2-CD1 3.52Å; L160-L164 HydrophobicContact CD2-CG 4.12Å; L160-L164 WeakPolarHBondContact O-CG 3.27Å; L160-L164 PolarHBondContact O-N 3.22Å; I161-L164 PolarHBondContact O-N 3.07Å; V162-L164 VanDerWaalsContact C-N 3.3Å; V162-L164 PolarHBondContact O-N 2.7Å; L164-E167 PolarHBondContact O-N 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.12Å; L164-L168 PolarHBondContact O-N 3.37Å
165L87.8Confident84.5Confident15 Ų1528.7 Ų28.78%0.07915%0.153CC..Hα-helixtrans-63.4-41.3177-69.5172.2000111.7T38 I41 I161 V162 L168 L169 F182T38-L165 HydrophobicContact CG2-CD2 3.81Å; I41-L165 HydrophobicContact CB-CD1 4.4Å; I41-L165 HydrophobicContact CD1-CD2 4.33Å; I41-L165 HydrophobicContact CG2-CD1 3.92Å; I161-L165 HydrophobicContact CG2-CD1 3.91Å; I161-L165 HydrophobicContact CG2-CG 4.24Å; I161-L165 VanDerWaalsContact O-CG 3.32Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.84Å; V162-L165 PolarHBondContact O-N 3.24Å; L165-L168 WeakPolarHBondContact O-CB 3.41Å; L165-L168 PolarHBondContact O-N 3.35Å; L165-L169 WeakPolarHBondContact O-CG 2.94Å; L165-L169 PolarHBondContact O-N 2.95Å; L165-F182 HydrophobicContact CB-CZ 3.93Å
166D86.4Confident84Confident8 Ų830.2 Ų30.24%0.04317%0.169CC..Hα-helixtrans-62.7-43.5174.4179.551.4000111.5I84 V162 L168 L169 Q170 G178 I179 F182I84-D166 HydrophobicContact CD1-CB 4.31Å; I84-D166 WeakPolarHBondContact CG2-OD2 3.37Å; V162-D166 PolarHBondContact O-N 2.58Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 3.48Å; D166-L169 PolarHBondContact O-N 3.42Å; D166-Q170 WeakPolarHBondContact O-CG 3.4Å; D166-Q170 PolarHBondContact O-N 3.38Å; D166-Q170 PolarHBondContact OD1-NE2 3.13Å; D166-Q170 PolarHBondContact OD2-NE2 2.9Å; D166-G178 WeakPolarHBondContact OD1-CA 3.49Å; D166-G178 PolarHBondContact OD1-N 3.03Å; D166-G178 VanDerWaalsContact OD1-N 3.12Å; D166-I179 PolarHBondContact OD1-N 2.95Å; D166-F182 HydrophobicContact CB-CE2 4.45Å
167E83.9Confident83.6Confident21 Ų2129.6 Ų29.610%0.09817%0.171CC..Hα-helixtrans-63.8-37.9176.7-171.4-175.5154.400112.7E18 I19 K117 L163 L164 L169 Q170 K171E18-E167 VanDerWaalsContact CG-OE1 3.27Å; E18-E167 WeakPolarHBondContact CG-OE1 3.27Å; I19-E167 HydrophobicContact CB-CG 4.4Å; I19-E167 HydrophobicContact CD1-CB 4.25Å; I19-E167 PolarHBondContact N-OE1 2.74Å; K117-E167 IonicContact NZ-OE2 3.46Å; K117-E167 PolarHBondContact NZ-OE2 3Å; L163-E167 WeakPolarHBondContact O-CB 3.41Å; L163-E167 PolarHBondContact O-N 3.04Å; L163-E167 VanDerWaalsContact O-N 3.13Å; L164-E167 PolarHBondContact O-N 3.28Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.13Å; E167-Q170 PolarHBondContact O-N 3.34Å; E167-K171 HydrophobicContact CG-CD 3.95Å; E167-K171 HydrophobicContact CG-CG 4.33Å; E167-K171 WeakPolarHBondContact O-CB 3.3Å; E167-K171 WeakPolarHBondContact O-CG 3.3Å; E167-K171 PolarHBondContact O-N 3.28Å; E167-K171 VanDerWaalsContact OE1-CE 3.25Å; E167-K171 WeakPolarHBondContact OE1-CE 3.37Å; E167-K171 IonicContact OE1-NZ 3.47Å; E167-K171 PolarHBondContact OE1-NZ 3.12Å
168L86.4Confident83.1Confident28 Ų2826 Ų2615%0.14715%0.15CC..Hα-helixtrans-58.2-47.8175.5-171.9147.6000110I19 W34 T38 L164 L165 D166 Y173I19-L168 HydrophobicContact CD1-CB 3.67Å; I19-L168 HydrophobicContact CD1-CD1 4.48Å; I19-L168 HydrophobicContact CD1-CG 4.46Å; W34-L168 HydrophobicContact CE3-CD1 4.35Å; W34-L168 HydrophobicContact CE3-CD2 4.28Å; W34-L168 HydrophobicContact CZ3-CD1 4.35Å; T38-L168 HydrophobicContact CG2-CD2 3.78Å; L164-L168 WeakPolarHBondContact O-CB 3.12Å; L164-L168 PolarHBondContact O-N 3.37Å; L165-L168 WeakPolarHBondContact O-CB 3.41Å; L165-L168 PolarHBondContact O-N 3.35Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 3.48Å; L168-Y173 HydrophobicContact CD2-CG 4.19Å; L168-Y173 HydrophobicContact CG-CD2 4.19Å; L168-Y173 HydrophobicContact CG-CG 4.22Å; L168-Y173 WeakPolarHBondContact O-CB 3.19Å; L168-Y173 WeakPolarHBondContact O-CD2 3.48Å; L168-Y173 PolarHBondContact O-N 3.01Å
169L85.1Confident82.8Confident1 Ų127.5 Ų27.51%0.00516%0.157CC..Iπ-helixtrans-65.6-47179.3-65.2173.7000111.1T35 T38 L165 D166 E167 K171 G172 G174 G178 L181 F182T35-L169 HydrophobicContact CG2-CD2 4.49Å; T38-L169 HydrophobicContact CG2-CD2 4.14Å; T38-L169 HydrophobicContact CG2-CG 4.33Å; L165-L169 WeakPolarHBondContact O-CG 2.94Å; L165-L169 PolarHBondContact O-N 2.95Å; D166-L169 PolarHBondContact O-N 3.42Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 3.13Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.25Å; L169-G172 PolarHBondContact O-N 3.05Å; L169-G172 VanDerWaalsContact O-N 3.15Å; L169-G174 PolarHBondContact O-N 2.79Å; L169-G178 VanDerWaalsContact CD1-CA 3.46Å; L169-L181 HydrophobicContact CD1-CD2 4.01Å; L169-F182 HydrophobicContact CD1-CZ 4.29Å
170Q81.5Confident82.6Confident93 Ų9328.4 Ų28.444%0.43516%0.162SC..Iπ-helixtrans-65.2-29.9-179.6-71.7179.717.600114.1D166 E167 G172D166-Q170 WeakPolarHBondContact O-CG 3.4Å; D166-Q170 PolarHBondContact O-N 3.38Å; D166-Q170 PolarHBondContact OD1-NE2 3.13Å; D166-Q170 PolarHBondContact OD2-NE2 2.9Å; E167-Q170 PolarHBondContact O-N 3.34Å; Q170-G172 PolarHBondContact O-N 3.44Å
171K81.8Confident82.4Confident36 Ų3627.3 Ų27.316%0.15716%0.156CC..Iπ-helixtrans-76.10.3177.4-75.6-175.8173.7-179.80114.1E18 I19 K21 P22 E167 L169 Y173E18-K171 VanDerWaalsContact CD-NZ 3.33Å; E18-K171 IonicContact OE1-NZ 3.87Å; E18-K171 PolarHBondContact OE1-NZ 3.17Å; I19-K171 HydrophobicContact CB-CD 4.14Å; I19-K171 HydrophobicContact CG2-CD 4.31Å; I19-K171 WeakPolarHBondContact O-CD 3.14Å; I19-K171 WeakPolarHBondContact O-CE 3.23Å; I19-K171 PolarHBondContact O-NZ 3.39Å; K21-K171 HydrophobicContact CG-CD 4.11Å; K21-K171 HydrophobicContact CG-CG 4.29Å; P22-K171 WeakPolarHBondContact CD-O 3.07Å; E167-K171 HydrophobicContact CG-CD 3.95Å; E167-K171 HydrophobicContact CG-CG 4.33Å; E167-K171 WeakPolarHBondContact O-CB 3.3Å; E167-K171 WeakPolarHBondContact O-CG 3.3Å; E167-K171 PolarHBondContact O-N 3.28Å; E167-K171 VanDerWaalsContact OE1-CE 3.25Å; E167-K171 WeakPolarHBondContact OE1-CE 3.37Å; E167-K171 IonicContact OE1-NZ 3.47Å; E167-K171 PolarHBondContact OE1-NZ 3.12Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.25Å; K171-Y173 HydrophobicContact CB-CD2 4.42Å
172G76.9Confident82.3Confident27 Ų2724.2 Ų24.228%0.27814%0.14SC..Iπ-helixtrans98.87.2170.700000114.9L169 Q170 G174L169-G172 PolarHBondContact O-N 3.05Å; L169-G172 VanDerWaalsContact O-N 3.15Å; Q170-G172 PolarHBondContact O-N 3.44Å; G172-G174 VanDerWaalsContact C-N 3.26Å
173Y80.5Confident82.1Confident47 Ų4724.4 Ų24.418%0.18414%0.141CC..Iπ-helixtrans-71.5-28.1164.4-64-91.6000111I19 Q20 P22 I26 K31 W34 L168 K171I19-Y173 HydrophobicContact CG2-CE2 4.01Å; Q20-Y173 WeakPolarHBondContact O-CE2 3.48Å; Q20-Y173 PolarHBondContact O-OH 2.77Å; P22-Y173 HydrophobicContact CB-CE1 4.24Å; P22-Y173 HydrophobicContact CB-CE2 4.47Å; P22-Y173 HydrophobicContact CG-CE2 4.38Å; I26-Y173 HydrophobicContact CD1-CD1 3.24Å; I26-Y173 HydrophobicContact CD1-CD2 4.49Å; I26-Y173 HydrophobicContact CD1-CE1 3.63Å; I26-Y173 HydrophobicContact CD1-CG 3.71Å; K31-Y173 VanDerWaalsContact CA-O 3.26Å; K31-Y173 WeakPolarHBondContact CA-O 3.43Å; W34-Y173 WeakPolarHBondContact CB-O 3.3Å; L168-Y173 HydrophobicContact CD2-CG 4.19Å; L168-Y173 HydrophobicContact CG-CD2 4.19Å; L168-Y173 HydrophobicContact CG-CG 4.22Å; L168-Y173 WeakPolarHBondContact O-CB 3.19Å; L168-Y173 WeakPolarHBondContact O-CD2 3.48Å; L168-Y173 PolarHBondContact O-N 3.01Å; K171-Y173 HydrophobicContact CB-CD2 4.42Å
174G75.1Confident82Confident5 Ų524 Ų245%0.05214%0.14CC..SBendtrans-95.6164.7177.600000114.2T35 L169 G172T35-G174 WeakPolarHBondContact OG1-CA 3.46Å; L169-G174 PolarHBondContact O-N 2.79Å; G172-G174 VanDerWaalsContact C-N 3.26Å
175L73.2Confident82Confident15 Ų1523 Ų238%0.07914%0.135CC..SBendtrans-81.3123.5156.8-63161.2000106.6F28 K31 V32 T35 Y457 E464F28-L175 HydrophobicContact CD2-CD2 4.17Å; F28-L175 HydrophobicContact CE2-CD2 3.82Å; K31-L175 HydrophobicContact CB-CD2 4.39Å; K31-L175 HydrophobicContact CB-CG 4.25Å; K31-L175 HydrophobicContact CD-CD2 4.31Å; V32-L175 HydrophobicContact CB-CD1 4.44Å; V32-L175 HydrophobicContact CG2-CD1 3.61Å; T35-L175 PolarHBondContact OG1-N 3.43Å; T35-L175 VanDerWaalsContact OG1-N 3.08Å; L175-Y457 HydrophobicContact CB-CD1 4.23Å; L175-Y457 HydrophobicContact CB-CE1 4.05Å; L175-Y457 WeakPolarHBondContact O-CE1 3.35Å; L175-Y457 VanDerWaalsContact O-CZ 3.31Å; L175-Y457 PolarHBondContact O-OH 3.36Å; L175-E464 VanDerWaalsContact CD2-OE2 3.26Å; L175-E464 WeakPolarHBondContact CD2-OE2 3.15Å
176G74.8Confident81.8Confident32 Ų3222.5 Ų22.533%0.3313%0.133SC..SBendtrans69.5-151.7173.600000116.9Y457G176-Y457 WeakPolarHBondContact CA-OH 3.48Å
177S80.3Confident81.7Confident41 Ų4122.3 Ų22.329%0.28713%0.132SC..  trans-106.6137.3-174.6173.20000111.8I179 S180 L181 Y457S177-I179 PolarHBondContact O-N 3.5Å; S177-S180 PolarHBondContact O-N 3.45Å; S177-S180 PolarHBondContact O-OG 3.03Å; S177-L181 PolarHBondContact O-N 3.36Å; S177-Y457 PolarHBondContact N-OH 3.2Å; S177-Y457 PolarHBondContact O-OH 2.9Å
178G79.1Confident81.8Confident0 Ų023.6 Ų23.60%014%0.142CC..Hα-helixtrans-61.8-42.2-178.900000113.1D166 L169 S180 L181 F182D166-G178 WeakPolarHBondContact OD1-CA 3.49Å; D166-G178 PolarHBondContact OD1-N 3.03Å; D166-G178 VanDerWaalsContact OD1-N 3.12Å; L169-G178 VanDerWaalsContact CD1-CA 3.46Å; G178-S180 PolarHBondContact O-N 3.22Å; G178-L181 PolarHBondContact O-N 3.43Å; G178-L181 VanDerWaalsContact O-N 3.13Å; G178-F182 WeakPolarHBondContact O-CD2 3.39Å; G178-F182 WeakPolarHBondContact O-CG 3.18Å; G178-F182 PolarHBondContact O-N 3.29Å
179I81.6Confident81.7Confident35 Ų3524.4 Ų24.418%0.17915%0.146CC..Hα-helixtrans-52.4-52177.2-59.7173000111.5I81 I84 V85 D166 S177 L181 I183I81-I179 HydrophobicContact CG2-CB 4.35Å; I81-I179 HydrophobicContact CG2-CG1 4Å; I81-I179 HydrophobicContact CG2-CG2 4.16Å; I84-I179 HydrophobicContact CG2-CD1 3.84Å; I84-I179 HydrophobicContact CG2-CG1 3.99Å; V85-I179 HydrophobicContact CG2-CD1 4.47Å; V85-I179 HydrophobicContact CG2-CG2 3.65Å; D166-I179 PolarHBondContact OD1-N 2.95Å; S177-I179 PolarHBondContact O-N 3.5Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 2.88Å; I179-I183 HydrophobicContact CG2-CD1 3.9Å; I179-I183 VanDerWaalsContact O-CG1 3.27Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 2.94Å
180S81.7Confident81.4Confident25 Ų2526.9 Ų26.918%0.17516%0.161CC..Hα-helixtrans-63.3-40.6-179.244.50000112.1S177 G178 A184 I453S177-S180 PolarHBondContact O-N 3.45Å; S177-S180 PolarHBondContact O-OG 3.03Å; G178-S180 PolarHBondContact O-N 3.22Å; S180-A184 WeakPolarHBondContact O-CB 3.48Å; S180-A184 PolarHBondContact O-N 3.37Å; S180-I453 WeakPolarHBondContact O-CD1 3.36Å
181L85.1Confident81.5Confident19 Ų1924.6 Ų24.610%0.09915%0.151CC..Hα-helixtrans-67.4-42.6-176.6-170.266.3000112.2T35 L39 L169 S177 G178 I179 A184 T185 Y457T35-L181 HydrophobicContact CG2-CD2 3.46Å; T35-L181 VanDerWaalsContact CG2-CD2 3.46Å; L39-L181 HydrophobicContact CD1-CD1 4.12Å; L39-L181 HydrophobicContact CD1-CD2 3.95Å; L39-L181 HydrophobicContact CD1-CG 4.11Å; L39-L181 HydrophobicContact CD2-CD1 4.42Å; L39-L181 HydrophobicContact CD2-CD2 3.81Å; L39-L181 HydrophobicContact CD2-CG 3.67Å; L39-L181 HydrophobicContact CG-CD2 3.69Å; L39-L181 HydrophobicContact CG-CG 4.03Å; L169-L181 HydrophobicContact CD1-CD2 4.01Å; S177-L181 PolarHBondContact O-N 3.36Å; G178-L181 PolarHBondContact O-N 3.43Å; G178-L181 VanDerWaalsContact O-N 3.13Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 2.88Å; L181-A184 PolarHBondContact O-N 3.13Å; L181-T185 WeakPolarHBondContact O-CB 3.18Å; L181-T185 PolarHBondContact O-N 3.41Å; L181-T185 PolarHBondContact O-OG1 3.44Å; L181-Y457 HydrophobicContact CD1-CE1 4.07Å
182F85.9Confident81.7Confident0 Ų027 Ų270%017%0.168CC..Hα-helixtrans-66.8-41.2178.6-61.9-30.9000112.1L39 F42 I81 V162 L165 D166 L169 G178 T185 N186L39-F182 HydrophobicContact CD2-CD1 4.39Å; F42-F182 HydrophobicContact CB-CD1 3.99Å; F42-F182 HydrophobicContact CB-CE1 3.84Å; F42-F182 HydrophobicContact CD1-CB 4.44Å; F42-F182 AromaticContact CD1-CD1 3.86Å; F42-F182 HydrophobicContact CD1-CD1 3.86Å; F42-F182 HydrophobicContact CD1-CG 4.39Å; F42-F182 HydrophobicContact CD2-CB 4.42Å; F42-F182 AromaticContact CD2-CD1 3.74Å; F42-F182 HydrophobicContact CD2-CD1 3.74Å; F42-F182 HydrophobicContact CD2-CD2 4.32Å; F42-F182 HydrophobicContact CD2-CE1 4.04Å; F42-F182 AromaticContact CD2-CG 3.91Å; F42-F182 HydrophobicContact CD2-CG 3.91Å; F42-F182 HydrophobicContact CD2-CZ 4.46Å; F42-F182 HydrophobicContact CE1-CB 4.02Å; F42-F182 HydrophobicContact CE1-CD1 4.3Å; F42-F182 HydrophobicContact CE1-CG 4.4Å; F42-F182 HydrophobicContact CE2-CB 4Å; F42-F182 HydrophobicContact CE2-CD1 4.2Å; F42-F182 HydrophobicContact CE2-CD2 4.33Å; F42-F182 AromaticContact CE2-CG 3.93Å; F42-F182 HydrophobicContact CE2-CG 3.93Å; F42-F182 AromaticContact CG-CD1 3.57Å; F42-F182 HydrophobicContact CG-CD1 3.57Å; F42-F182 AromaticContact CG-CE1 3.9Å; F42-F182 HydrophobicContact CG-CE1 3.9Å; F42-F182 HydrophobicContact CG-CG 4.16Å; F42-F182 HydrophobicContact CZ-CB 3.79Å; F42-F182 HydrophobicContact CZ-CD1 4.46Å; F42-F182 HydrophobicContact CZ-CG 4.19Å; I81-F182 HydrophobicContact CD1-CB 3.35Å; I81-F182 HydrophobicContact CD1-CD2 4.26Å; I81-F182 HydrophobicContact CD1-CG 4.32Å; I81-F182 HydrophobicContact CG1-CB 4.05Å; I81-F182 HydrophobicContact CG1-CD2 4.25Å; V162-F182 HydrophobicContact CG1-CD2 4.39Å; V162-F182 HydrophobicContact CG1-CE2 4.12Å; L165-F182 HydrophobicContact CB-CZ 3.93Å; D166-F182 HydrophobicContact CB-CE2 4.45Å; L169-F182 HydrophobicContact CD1-CZ 4.29Å; G178-F182 WeakPolarHBondContact O-CD2 3.39Å; G178-F182 WeakPolarHBondContact O-CG 3.18Å; G178-F182 PolarHBondContact O-N 3.29Å; F182-T185 PolarHBondContact O-N 3.29Å; F182-N186 PolarHBondContact O-N 3.03Å; F182-N186 VanDerWaalsContact O-N 3.08Å
183I82.8Confident82.1Confident7 Ų732.2 Ų32.24%0.03618%0.18CC..Hα-helixtrans-60-51.3174.3-66.2170.1000110.5I81 I179 T185 N186 I187 I453I81-I183 HydrophobicContact CD1-CG1 3.68Å; I179-I183 HydrophobicContact CG2-CD1 3.9Å; I179-I183 VanDerWaalsContact O-CG1 3.27Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 2.94Å; I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 PolarHBondContact O-N 3.31Å; I183-N186 PolarHBondContact O-N 2.98Å; I183-I187 HydrophobicContact CG2-CD1 3.62Å; I183-I187 WeakPolarHBondContact O-CD1 3.45Å; I183-I187 WeakPolarHBondContact O-CG1 3.34Å; I183-I187 PolarHBondContact O-N 2.71Å; I183-I453 HydrophobicContact CG2-CD1 4.42Å
184A85.6Confident82Confident4 Ų432.8 Ų32.83%0.03318%0.183CC..Hα-helixtrans-60.3-38.2-179.400000112.1S180 L181 C188 I453S180-A184 WeakPolarHBondContact O-CB 3.48Å; S180-A184 PolarHBondContact O-N 3.37Å; L181-A184 PolarHBondContact O-N 3.13Å; A184-C188 WeakPolarHBondContact O-CB 3.3Å; A184-C188 PolarHBondContact O-N 2.9Å; A184-C188 PolarHBondContact O-SG 3.21Å; A184-I453 HydrophobicContact CB-CB 4.17Å; A184-I453 HydrophobicContact CB-CD1 4.31Å; A184-I453 HydrophobicContact CB-CG2 3.84Å
185T87.1Confident82.3Confident23 Ų2332.8 Ų32.814%0.14118%0.183CC..Hα-helixtrans-66.3-47.3179.9-58.60000112L39 L43 L181 F182 I183 I187 C188 E189L39-T185 HydrophobicContact CD2-CG2 4.18Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.21Å; L43-T185 HydrophobicContact CD1-CG2 4.25Å; L43-T185 HydrophobicContact CD2-CG2 3.62Å; L43-T185 HydrophobicContact CG-CG2 4.01Å; L181-T185 WeakPolarHBondContact O-CB 3.18Å; L181-T185 PolarHBondContact O-N 3.41Å; L181-T185 PolarHBondContact O-OG1 3.44Å; F182-T185 PolarHBondContact O-N 3.29Å; I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 PolarHBondContact O-N 3.31Å; T185-I187 VanDerWaalsContact C-N 3.32Å; T185-I187 PolarHBondContact O-N 2.65Å; T185-C188 PolarHBondContact O-N 3.19Å; T185-E189 WeakPolarHBondContact O-CB 3.38Å; T185-E189 PolarHBondContact O-N 3.24Å
186N83.6Confident82.7Confident5 Ų537.7 Ų37.73%0.02720%0.204CC..Hα-helixtrans-64.2-36.8-179.9-176.1-89.3000112.3A70 N72 F182 I183 E189 T190A70-N186 HydrophobicContact CB-CB 3.7Å; N72-N186 PolarHBondContact OD1-ND2 2.96Å; F182-N186 PolarHBondContact O-N 3.03Å; F182-N186 VanDerWaalsContact O-N 3.08Å; I183-N186 PolarHBondContact O-N 2.98Å; N186-E189 PolarHBondContact O-N 2.86Å; N186-T190 WeakPolarHBondContact O-CB 3.19Å; N186-T190 PolarHBondContact O-N 3.37Å; N186-T190 PolarHBondContact O-OG1 2.65Å
187I83.8Confident82.9Confident4 Ų436.2 Ų36.22%0.02119%0.188CC..Hα-helixtrans-65.8-44.9174.5-65.3158000110.3I183 T185 E189 T190 I191 G446 L449 A450I183-I187 HydrophobicContact CG2-CD1 3.62Å; I183-I187 WeakPolarHBondContact O-CD1 3.45Å; I183-I187 WeakPolarHBondContact O-CG1 3.34Å; I183-I187 PolarHBondContact O-N 2.71Å; T185-I187 VanDerWaalsContact C-N 3.32Å; T185-I187 PolarHBondContact O-N 2.65Å; I187-E189 PolarHBondContact O-N 2.91Å; I187-T190 PolarHBondContact O-N 2.83Å; I187-I191 HydrophobicContact CG2-CD1 3.87Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 3.47Å; I187-G446 WeakPolarHBondContact CD1-O 3.48Å; I187-L449 HydrophobicContact CD1-CB 4.4Å; I187-A450 HydrophobicContact CB-CB 4.11Å; I187-A450 HydrophobicContact CD1-CB 4.28Å; I187-A450 HydrophobicContact CG2-CB 3.78Å
188C85.6Confident82.6Confident48 Ų4838.1 Ų38.132%0.32420%0.199SC..Hα-helixtrans-62.8-42176.6-67.90000112A184 T185 T190 I191 V192A184-C188 WeakPolarHBondContact O-CB 3.3Å; A184-C188 PolarHBondContact O-N 2.9Å; A184-C188 PolarHBondContact O-SG 3.21Å; T185-C188 PolarHBondContact O-N 3.19Å; C188-T190 VanDerWaalsContact C-N 3.35Å; C188-T190 PolarHBondContact O-N 3.45Å; C188-I191 PolarHBondContact O-N 3.18Å; C188-V192 VanDerWaalsContact O-CG2 3.3Å; C188-V192 WeakPolarHBondContact O-CG2 3.47Å; C188-V192 PolarHBondContact O-N 2.99Å
189E84.3Confident82.5Confident46 Ų4640.7 Ų40.722%0.21522%0.215CC..Hα-helixtrans-57.5-48.1174.4-179.3-177.6-176.400110.8Q47 T185 N186 I187 I191 V192 W193Q47-E189 PolarHBondContact NE2-OE1 3Å; T185-E189 WeakPolarHBondContact O-CB 3.38Å; T185-E189 PolarHBondContact O-N 3.24Å; N186-E189 PolarHBondContact O-N 2.86Å; I187-E189 PolarHBondContact O-N 2.91Å; E189-I191 PolarHBondContact O-N 3.35Å; E189-V192 PolarHBondContact O-N 3.45Å; E189-W193 VanDerWaalsContact O-CB 3.3Å; E189-W193 WeakPolarHBondContact O-CB 3.32Å; E189-W193 PolarHBondContact O-N 3.08Å
190T80.1Confident82.1Confident53 Ų5342.6 Ų42.633%0.32523%0.229SC..Hα-helixtrans-61.7-42.1178.5-58.70000112N186 I187 C188 W193 K194N186-T190 WeakPolarHBondContact O-CB 3.19Å; N186-T190 PolarHBondContact O-N 3.37Å; N186-T190 PolarHBondContact O-OG1 2.65Å; I187-T190 PolarHBondContact O-N 2.83Å; C188-T190 VanDerWaalsContact C-N 3.35Å; C188-T190 PolarHBondContact O-N 3.45Å; T190-W193 PolarHBondContact O-N 3.08Å; T190-K194 HydrophobicContact CG2-CG 4.47Å; T190-K194 WeakPolarHBondContact O-CB 3.48Å; T190-K194 VanDerWaalsContact O-CG 3.32Å; T190-K194 WeakPolarHBondContact O-CG 3.41Å; T190-K194 PolarHBondContact O-N 3.38Å
191I83.4Confident81.4Confident44 Ų4444.3 Ų44.323%0.22624%0.238CC..Hα-helixtrans-64-47177.7-67.9166000110.6I187 C188 E189 K194 A195 I447I187-I191 HydrophobicContact CG2-CD1 3.87Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 3.47Å; C188-I191 PolarHBondContact O-N 3.18Å; E189-I191 PolarHBondContact O-N 3.35Å; I191-K194 PolarHBondContact O-N 3.47Å; I191-A195 WeakPolarHBondContact O-CB 3.05Å; I191-A195 PolarHBondContact O-N 2.92Å; I191-I447 HydrophobicContact CD1-CG1 4.19Å
192V86Confident80.5Confident86 Ų8648.7 Ų48.752%0.52126%0.262SS..Hα-helixtrans-64.3-42.6178.8172.60000110.7C188 E189 A195 F196C188-V192 VanDerWaalsContact O-CG2 3.3Å; C188-V192 WeakPolarHBondContact O-CG2 3.47Å; C188-V192 PolarHBondContact O-N 2.99Å; E189-V192 PolarHBondContact O-N 3.45Å; V192-A195 PolarHBondContact O-N 3.28Å; V192-F196 HydrophobicContact CG1-CD2 4.31Å; V192-F196 PolarHBondContact O-N 3.29Å
193W83.9Confident79.2Confident138 Ų13851.8 Ų51.852%0.52328%0.281SS..Hα-helixtrans-61.7-47.8177-169.5-104.8000111.3E189 T190 A195 F196 S197 T199E189-W193 VanDerWaalsContact O-CB 3.3Å; E189-W193 WeakPolarHBondContact O-CB 3.32Å; E189-W193 PolarHBondContact O-N 3.08Å; T190-W193 PolarHBondContact O-N 3.08Å; W193-A195 VanDerWaalsContact C-N 3.25Å; W193-A195 PolarHBondContact O-N 2.97Å; W193-F196 PolarHBondContact O-N 3.44Å; W193-S197 WeakPolarHBondContact O-CA 3.27Å; W193-S197 WeakPolarHBondContact O-CB 3.26Å; W193-S197 PolarHBondContact O-N 3.45Å; W193-S197 PolarHBondContact O-OG 3.01Å; W193-T199 HydrophobicContact CZ2-CG2 4.34Å
194K78Confident77.9Confident59 Ų5954.9 Ų54.926%0.25731%0.314SS..Hα-helixtrans-67.6-24177.9-70.9-70.9175.6-169.70113.6T190 I191 E210 A212 P240 I441T190-K194 HydrophobicContact CG2-CG 4.47Å; T190-K194 WeakPolarHBondContact O-CB 3.48Å; T190-K194 VanDerWaalsContact O-CG 3.32Å; T190-K194 WeakPolarHBondContact O-CG 3.41Å; T190-K194 PolarHBondContact O-N 3.38Å; I191-K194 PolarHBondContact O-N 3.47Å; K194-E210 IonicContact NZ-OE1 3.62Å; K194-E210 PolarHBondContact NZ-OE1 3.46Å; K194-A212 PolarHBondContact O-N 2.9Å; K194-P240 HydrophobicContact CB-CG 4.38Å; K194-P240 HydrophobicContact CD-CG 3.74Å; K194-I441 HydrophobicContact CB-CG2 3.44Å; K194-I441 VanDerWaalsContact CB-CG2 3.44Å; K194-I441 HydrophobicContact CG-CG2 3.97Å
195A81.9Confident76.6Confident5 Ų564.1 Ų64.14%0.04135%0.348CS..Hα-helixtrans-79.7-41.2174.700000112.9I191 V192 W193 G211 A212 V213 L245I191-A195 WeakPolarHBondContact O-CB 3.05Å; I191-A195 PolarHBondContact O-N 2.92Å; V192-A195 PolarHBondContact O-N 3.28Å; W193-A195 VanDerWaalsContact C-N 3.25Å; W193-A195 PolarHBondContact O-N 2.97Å; A195-G211 CarbonylContact O-C 3.6Å; A195-A212 PolarHBondContact O-N 3.5Å; A195-V213 PolarHBondContact O-N 3.12Å; A195-L245 HydrophobicContact CB-CD1 3.6Å
196F83.2Confident75.3Confident118 Ų11864.6 Ų64.652%0.51836%0.358SS..Hα-helixtrans-124.417.1-167.5-64.7-80.1000114.7V192 W193 P198 V213 I214V192-F196 HydrophobicContact CG1-CD2 4.31Å; V192-F196 PolarHBondContact O-N 3.29Å; W193-F196 PolarHBondContact O-N 3.44Å; F196-P198 WeakPolarHBondContact O-CD 3.25Å; F196-V213 HydrophobicContact CD1-CB 4.21Å; F196-V213 HydrophobicContact CD1-CG1 4.44Å; F196-V213 HydrophobicContact CE1-CB 4.02Å; F196-V213 HydrophobicContact CE1-CG1 3.93Å; F196-V213 HydrophobicContact CE1-CG2 4.14Å; F196-V213 HydrophobicContact CZ-CG2 4.29Å; F196-I214 WeakPolarHBondContact O-CD1 3.46Å
197S78.3Confident74.4Confident0 Ų068.3 Ų68.30%038%0.381CS..  trans-64.7128.1-179.556.70000111.4W193 T199 E210 G211W193-S197 WeakPolarHBondContact O-CA 3.27Å; W193-S197 WeakPolarHBondContact O-CB 3.26Å; W193-S197 PolarHBondContact O-N 3.45Å; W193-S197 PolarHBondContact O-OG 3.01Å; S197-T199 PolarHBondContact O-N 2.87Å; S197-E210 WeakPolarHBondContact OG-CB 3.34Å; S197-G211 WeakPolarHBondContact O-CA 3.24Å; S197-G211 PolarHBondContact O-N 3.26Å; S197-G211 WeakPolarHBondContact OG-CA 3.29Å; S197-G211 PolarHBondContact OG-N 3.3Å
198P74.7Confident73.6Confident81 Ų8169.3 Ų69.353%0.52639%0.385SS..  trans-83.72178.934.2-35.5000112.8F196 I214F196-P198 WeakPolarHBondContact O-CD 3.25Å; P198-I214 HydrophobicContact CB-CD1 4.46Å
199T76.6Confident72.8Confident54 Ų5469.1 Ų69.133%0.33138%0.379SS..  trans-67.7137179.843.50000110.7W193 S197 F209 E210W193-T199 HydrophobicContact CZ2-CG2 4.34Å; S197-T199 PolarHBondContact O-N 2.87Å; T199-F209 WeakPolarHBondContact O-CA 3.39Å; T199-E210 PolarHBondContact O-N 3.5Å; T199-E210 WeakPolarHBondContact OG1-CB 3.35Å; T199-E210 PolarHBondContact OG1-OE2 3.44Å
200T73.1Confident72.1Confident76 Ų7668.5 Ų68.547%0.46638%0.376SS..EExtended strand (participates in β ladder)trans-106.1129.5175.855.50000110.1E208 F209T200-E208 CarbonylContact C-O 3.49Å; T200-E208 WeakPolarHBondContact CA-O 3.22Å; T200-F209 HydrophobicContact CG2-CD1 3.55Å; T200-F209 HydrophobicContact CG2-CE1 3.41Å; T200-F209 VanDerWaalsContact CG2-CE1 3.41Å; T200-F209 HydrophobicContact CG2-CE2 4.39Å; T200-F209 HydrophobicContact CG2-CG 4.14Å; T200-F209 HydrophobicContact CG2-CZ 3.86Å
201V67.3Low71.7Confident60 Ų6066 Ų6636%0.36436%0.36SS..EExtended strand (participates in β ladder)trans-108.9133.2171.7-176.50000108E208V201-E208 PolarHBondContact N-O 3.11Å; V201-E208 PolarHBondContact O-N 3.47Å
202N64.6Low71.1Confident112 Ų11264.1 Ų64.160%0.59935%0.352SS*.EExtended strand (participates in β ladder)trans-100.797.3178.2-167.6-7.2000109.5G204 G206N202-G204 PolarHBondContact O-N 3.21Å; N202-G204 PolarHBondContact OD1-N 2.99Å; N202-G206 PolarHBondContact OD1-O 3.03Å
203T60.2Low70.6Confident65 Ų6561.4 Ų61.440%0.39934%0.335SS..  trans-88.727.1179.7-47.10000111.8R205T203-R205 PolarHBondContact O-N 3.06Å
204G53.8Low70.2Confident72 Ų7257.2 Ų57.274%0.74232%0.322SS*.SBendtrans75.5-2.2177.500000115.3N202N202-G204 PolarHBondContact O-N 3.21Å; N202-G204 PolarHBondContact OD1-N 2.99Å
205R58.3Low69.7Low198 Ų19854.7 Ų54.775%0.74731%0.313SS*.SBendtrans-108.14.3172.9-72.7-175.1169.8168.21.8114T203T203-R205 PolarHBondContact O-N 3.06Å
206G61.5Low69.2Low33 Ų3356 Ų5634%0.3432%0.319SS..SBendtrans130.4171.9-176.100000112N202 E208N202-G206 PolarHBondContact OD1-O 3.03Å; G206-E208 PolarHBondContact O-N 3.18Å
207T64.1Low68.8Low83 Ų8356.9 Ų56.951%0.50932%0.323SS..EExtended strand (participates in β ladder)trans-73.1114.1171.351.40000109
208E66.1Low68.4Low25 Ų2559.9 Ų59.912%0.11734%0.337CS..EExtended strand (participates in β ladder)trans-116.2134.4176.9-58.6178.9111.500109.1T200 V201 G206 R236T200-E208 CarbonylContact C-O 3.49Å; T200-E208 WeakPolarHBondContact CA-O 3.22Å; V201-E208 PolarHBondContact N-O 3.11Å; V201-E208 PolarHBondContact O-N 3.47Å; G206-E208 PolarHBondContact O-N 3.18Å; E208-R236 VanDerWaalsContact CD-CZ 3.45Å; E208-R236 IonicContact OE1-CZ 3.36Å; E208-R236 IonicContact OE1-NE 2.68Å; E208-R236 PolarHBondContact OE1-NE 3.07Å; E208-R236 IonicContact OE1-NH2 3.27Å; E208-R236 PolarHBondContact OE1-NH2 3.36Å; E208-R236 IonicContact OE2-CZ 3.26Å; E208-R236 IonicContact OE2-NE 2.71Å; E208-R236 IonicContact OE2-NH2 3.41Å; E208-R236 PolarHBondContact OE2-NH2 2.92Å
209F69.1Low68Low43 Ų4356.7 Ų56.719%0.18932%0.315CS..EExtended strand (participates in β ladder)trans-69.4144.7176.4-69.3-84.2000110.5T199 T200 I214 A215 H218 R236T199-F209 WeakPolarHBondContact O-CA 3.39Å; T200-F209 HydrophobicContact CG2-CD1 3.55Å; T200-F209 HydrophobicContact CG2-CE1 3.41Å; T200-F209 VanDerWaalsContact CG2-CE1 3.41Å; T200-F209 HydrophobicContact CG2-CE2 4.39Å; T200-F209 HydrophobicContact CG2-CG 4.14Å; T200-F209 HydrophobicContact CG2-CZ 3.86Å; F209-I214 HydrophobicContact CB-CB 4.45Å; F209-I214 HydrophobicContact CB-CG2 4.09Å; F209-I214 HydrophobicContact CD1-CG2 3.78Å; F209-I214 HydrophobicContact CD2-CG2 4.16Å; F209-I214 HydrophobicContact CE1-CG2 4.25Å; F209-I214 HydrophobicContact CG-CG2 3.73Å; F209-A215 HydrophobicContact CB-CB 4.03Å; F209-H218 HydrophobicContact CD2-CB 3.65Å; F209-H218 AromaticContact CD2-CD2 3.86Å; F209-H218 AromaticContact CD2-CG 3.68Å; F209-H218 HydrophobicContact CE2-CB 3.74Å; F209-H218 AromaticContact CE2-CD2 3.71Å; F209-H218 AromaticContact CE2-CE1 3.95Å; F209-H218 AromaticContact CE2-CG 3.39Å; F209-H218 AromaticContact CE2-ND1 3.58Å; F209-R236 PolarHBondContact O-NH1 2.78Å
210E69.1Low67.7Low33 Ų3357.6 Ų57.615%0.15432%0.318CS..SBendtrans-75.2-34.8176-174.5-173.4173.700111.4K194 S197 T199 A212 L239K194-E210 IonicContact NZ-OE1 3.62Å; K194-E210 PolarHBondContact NZ-OE1 3.46Å; S197-E210 WeakPolarHBondContact OG-CB 3.34Å; T199-E210 PolarHBondContact O-N 3.5Å; T199-E210 WeakPolarHBondContact OG1-CB 3.35Å; T199-E210 PolarHBondContact OG1-OE2 3.44Å; E210-A212 PolarHBondContact O-N 3.23Å; E210-L239 HydrophobicContact CB-CD2 4.34Å; E210-L239 HydrophobicContact CG-CD2 3.93Å
211G72.4Confident67.6Low0 Ų058.1 Ų58.10%033%0.329CS..SBendtrans-70.8124.4-179.300000112.2A195 S197 V213 I214 A215A195-G211 CarbonylContact O-C 3.6Å; S197-G211 WeakPolarHBondContact O-CA 3.24Å; S197-G211 PolarHBondContact O-N 3.26Å; S197-G211 WeakPolarHBondContact OG-CA 3.29Å; S197-G211 PolarHBondContact OG-N 3.3Å; G211-V213 VanDerWaalsContact C-N 3.26Å; G211-V213 PolarHBondContact O-N 2.9Å; G211-I214 PolarHBondContact O-N 3.02Å; G211-A215 WeakPolarHBondContact O-CB 3.36Å; G211-A215 PolarHBondContact O-N 2.91Å
212A70.3Confident67.8Low5 Ų559.3 Ų59.34%0.04134%0.337CS..Hα-helixtrans-54.2-40.2-177.400000113.3K194 A195 E210 L216 P240 L245K194-A212 PolarHBondContact O-N 2.9Å; A195-A212 PolarHBondContact O-N 3.5Å; E210-A212 PolarHBondContact O-N 3.23Å; A212-L216 PolarHBondContact O-N 3.22Å; A212-P240 HydrophobicContact CB-CB 4.36Å; A212-P240 WeakPolarHBondContact CB-O 3.44Å; A212-L245 HydrophobicContact CB-CD1 4.5Å
213V76.8Confident67.7Low29 Ų2960.7 Ų60.718%0.17633%0.334CS..Hα-helixtrans-79.1-44-177.5-178.10000111.2A195 F196 G211 A215 L216 F217 L245A195-V213 PolarHBondContact O-N 3.12Å; F196-V213 HydrophobicContact CD1-CB 4.21Å; F196-V213 HydrophobicContact CD1-CG1 4.44Å; F196-V213 HydrophobicContact CE1-CB 4.02Å; F196-V213 HydrophobicContact CE1-CG1 3.93Å; F196-V213 HydrophobicContact CE1-CG2 4.14Å; F196-V213 HydrophobicContact CZ-CG2 4.29Å; G211-V213 VanDerWaalsContact C-N 3.26Å; G211-V213 PolarHBondContact O-N 2.9Å; V213-A215 VanDerWaalsContact C-N 3.35Å; V213-L216 WeakPolarHBondContact O-CB 3.44Å; V213-L216 PolarHBondContact O-N 2.96Å; V213-F217 HydrophobicContact CG1-CD2 3.92Å; V213-F217 HydrophobicContact CG1-CE2 3.74Å; V213-F217 VanDerWaalsContact O-CD2 3.27Å; V213-F217 WeakPolarHBondContact O-CD2 3.3Å; V213-F217 PolarHBondContact O-N 3.27Å; V213-F217 VanDerWaalsContact O-N 3.14Å; V213-L245 HydrophobicContact CG2-CD1 3.96Å
214I74.1Confident67.5Low50 Ų5064 Ų6426%0.25635%0.354SS..Hα-helixtrans-66.3-40.9-179.8-60.8-178.2000110.3F196 P198 F209 G211 L216 F217 H218F196-I214 WeakPolarHBondContact O-CD1 3.46Å; P198-I214 HydrophobicContact CB-CD1 4.46Å; F209-I214 HydrophobicContact CB-CB 4.45Å; F209-I214 HydrophobicContact CB-CG2 4.09Å; F209-I214 HydrophobicContact CD1-CG2 3.78Å; F209-I214 HydrophobicContact CD2-CG2 4.16Å; F209-I214 HydrophobicContact CE1-CG2 4.25Å; F209-I214 HydrophobicContact CG-CG2 3.73Å; G211-I214 PolarHBondContact O-N 3.02Å; I214-L216 VanDerWaalsContact C-N 3.32Å; I214-L216 PolarHBondContact O-N 3.07Å; I214-F217 PolarHBondContact O-N 3.4Å; I214-H218 WeakPolarHBondContact O-CB 3.5Å; I214-H218 PolarHBondContact O-N 3.14Å
215A68.9Low68Low7 Ų765.3 Ų65.36%0.05834%0.344CS..Hα-helixtrans-60.8-40.7174.800000111.8F209 G211 V213 H218 L219F209-A215 HydrophobicContact CB-CB 4.03Å; G211-A215 WeakPolarHBondContact O-CB 3.36Å; G211-A215 PolarHBondContact O-N 2.91Å; V213-A215 VanDerWaalsContact C-N 3.35Å; A215-H218 PolarHBondContact O-N 2.94Å; A215-L219 VanDerWaalsContact O-CB 3.22Å; A215-L219 WeakPolarHBondContact O-CB 3.33Å; A215-L219 WeakPolarHBondContact O-CD1 3.15Å; A215-L219 VanDerWaalsContact O-CG 3.23Å; A215-L219 WeakPolarHBondContact O-CG 3.28Å; A215-L219 PolarHBondContact O-N 3.42Å
216L70.1Confident68.2Low32 Ų3262.9 Ų62.917%0.16834%0.339CS..Hα-helixtrans-60.7-50.6176-177.8152000111.5A212 V213 I214 H218 L219 L220 L242A212-L216 PolarHBondContact O-N 3.22Å; V213-L216 WeakPolarHBondContact O-CB 3.44Å; V213-L216 PolarHBondContact O-N 2.96Å; I214-L216 VanDerWaalsContact C-N 3.32Å; I214-L216 PolarHBondContact O-N 3.07Å; L216-H218 VanDerWaalsContact C-N 3.33Å; L216-H218 PolarHBondContact O-N 3.22Å; L216-L219 PolarHBondContact O-N 3.35Å; L216-L220 HydrophobicContact CD2-CD2 4.48Å; L216-L220 WeakPolarHBondContact O-CB 3.48Å; L216-L220 PolarHBondContact O-N 3.35Å; L216-L242 HydrophobicContact CD1-CB 4.49Å; L216-L242 HydrophobicContact CD1-CD1 3.84Å; L216-L242 HydrophobicContact CD1-CD2 3.4Å; L216-L242 VanDerWaalsContact CD1-CD2 3.4Å; L216-L242 HydrophobicContact CD1-CG 4.09Å
217F74.8Confident68.4Low137 Ų13767.3 Ų67.360%0.60136%0.359SS*.Hα-helixtrans-64.1-39.4179.7-79.7-71.4000111.9V213 I214 A221V213-F217 HydrophobicContact CG1-CD2 3.92Å; V213-F217 HydrophobicContact CG1-CE2 3.74Å; V213-F217 VanDerWaalsContact O-CD2 3.27Å; V213-F217 WeakPolarHBondContact O-CD2 3.3Å; V213-F217 PolarHBondContact O-N 3.27Å; V213-F217 VanDerWaalsContact O-N 3.14Å; I214-F217 PolarHBondContact O-N 3.4Å; F217-A221 WeakPolarHBondContact O-CB 3.49Å; F217-A221 PolarHBondContact O-N 3.42Å; F217-A221 VanDerWaalsContact O-N 3.07Å
218H70.8Confident68.3Low62 Ų6272.1 Ų72.129%0.28737%0.368SS..Hα-helixtrans-65.7-52.2176.7-174.371.4000111.9F209 I214 A215 L216 L220 A221 T222F209-H218 HydrophobicContact CD2-CB 3.65Å; F209-H218 AromaticContact CD2-CD2 3.86Å; F209-H218 AromaticContact CD2-CG 3.68Å; F209-H218 HydrophobicContact CE2-CB 3.74Å; F209-H218 AromaticContact CE2-CD2 3.71Å; F209-H218 AromaticContact CE2-CE1 3.95Å; F209-H218 AromaticContact CE2-CG 3.39Å; F209-H218 AromaticContact CE2-ND1 3.58Å; I214-H218 WeakPolarHBondContact O-CB 3.5Å; I214-H218 PolarHBondContact O-N 3.14Å; A215-H218 PolarHBondContact O-N 2.94Å; L216-H218 VanDerWaalsContact C-N 3.33Å; L216-H218 PolarHBondContact O-N 3.22Å; H218-L220 VanDerWaalsContact C-N 3.29Å; H218-L220 PolarHBondContact O-N 2.91Å; H218-A221 PolarHBondContact O-N 3.34Å; H218-A221 VanDerWaalsContact O-N 3.11Å; H218-T222 PolarHBondContact O-N 3.14Å; H218-T222 PolarHBondContact O-OG1 3.29Å
219L66.6Low67.9Low15 Ų1571.3 Ų71.38%0.07937%0.365CS..Hα-helixtrans-61.7-36.8-179.7-74.1164.3000112.2A215 L216 A221 R223 A233A215-L219 VanDerWaalsContact O-CB 3.22Å; A215-L219 WeakPolarHBondContact O-CB 3.33Å; A215-L219 WeakPolarHBondContact O-CD1 3.15Å; A215-L219 VanDerWaalsContact O-CG 3.23Å; A215-L219 WeakPolarHBondContact O-CG 3.28Å; A215-L219 PolarHBondContact O-N 3.42Å; L216-L219 PolarHBondContact O-N 3.35Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-R223 WeakPolarHBondContact O-CB 3.29Å; L219-R223 PolarHBondContact O-N 3.2Å; L219-A233 HydrophobicContact CD1-CB 4.13Å
220L69.3Low67.6Low73 Ų7373.3 Ų73.338%0.38238%0.378SS..Hα-helixtrans-71.9-28.8177.1-168.865.1000112.6L216 H218L216-L220 HydrophobicContact CD2-CD2 4.48Å; L216-L220 WeakPolarHBondContact O-CB 3.48Å; L216-L220 PolarHBondContact O-N 3.35Å; H218-L220 VanDerWaalsContact C-N 3.29Å; H218-L220 PolarHBondContact O-N 2.91Å
221A72.4Confident67.3Low86 Ų8680.7 Ų80.771%0.71140%0.404SS*.Hα-helixtrans-86.2-36.1179.600000113.6F217 H218 L219F217-A221 WeakPolarHBondContact O-CB 3.49Å; F217-A221 PolarHBondContact O-N 3.42Å; F217-A221 VanDerWaalsContact O-N 3.07Å; H218-A221 PolarHBondContact O-N 3.34Å; H218-A221 VanDerWaalsContact O-N 3.11Å; L219-A221 VanDerWaalsContact C-N 3.34Å
222T70.6Confident66.9Low86 Ų8683.7 Ų83.753%0.52842%0.418SS..Hα-helixtrans-92.2-22-175.745.20000114.9H218H218-T222 PolarHBondContact O-N 3.14Å; H218-T222 PolarHBondContact O-OG1 3.29Å
223R63Low66.3Low141 Ų14184.1 Ų84.153%0.53242%0.422SS..  trans-97.8134.9-179.7-69.6-83-172169.3-0.8112.2L219 A229L219-R223 WeakPolarHBondContact O-CB 3.29Å; L219-R223 PolarHBondContact O-N 3.2Å; R223-A229 HydrophobicContact CB-CB 4.02Å; R223-A229 HydrophobicContact CG-CB 4.45Å
224T55.9Low65.6Low133 Ų13385.3 Ų85.382%0.81642%0.424SS*.SBendtrans-71.9-32.1175.346.30000113K226T224-K226 PolarHBondContact O-N 3.03Å
225D64.4Low65Low101 Ų10190.7 Ų90.754%0.5444%0.443SS..  trans-87.384178.3-71.5-32.8000112.4V227 R228 A229D225-V227 VanDerWaalsContact C-N 3.29Å; D225-V227 PolarHBondContact O-N 3.3Å; D225-R228 HydrophobicContact CB-CB 4.17Å; D225-R228 PolarHBondContact O-N 3.25Å; D225-A229 WeakPolarHBondContact O-CB 3.2Å; D225-A229 PolarHBondContact O-N 2.98Å
226K62.3Low64.7Low147 Ų14791.8 Ų91.864%0.63945%0.445SS*.Hα-helixtrans-55.9-36.6-176.3-63.3-179-178.5-179.90114T224 L230T224-K226 PolarHBondContact O-N 3.03Å; K226-L230 WeakPolarHBondContact O-CB 3.3Å; K226-L230 PolarHBondContact O-N 3.25Å
227V64.9Low64Low126 Ų12699.3 Ų99.376%0.76448%0.48SS*.Hα-helixtrans-74.2-37.3-176.4-176.20000112.1D225 R231D225-V227 VanDerWaalsContact C-N 3.29Å; D225-V227 PolarHBondContact O-N 3.3Å; V227-R231 PolarHBondContact O-N 3.03Å; V227-R231 VanDerWaalsContact O-N 3.09Å
228R62.9Low63.2Low184 Ų18498.6 Ų98.669%0.69448%0.482SS*.Hα-helixtrans-75.4-40.4178.7-161.3172-176.21721.7110.9D225 L230 R231 E232D225-R228 HydrophobicContact CB-CB 4.17Å; D225-R228 PolarHBondContact O-N 3.25Å; R228-L230 VanDerWaalsContact C-N 3.33Å; R228-L230 PolarHBondContact O-N 3.44Å; R228-R231 PolarHBondContact O-N 3.15Å; R228-E232 VanDerWaalsContact O-CB 3.31Å; R228-E232 WeakPolarHBondContact O-CB 3.13Å; R228-E232 PolarHBondContact O-N 3.09Å
229A58.2Low62.7Low7 Ų796.9 Ų96.96%0.05848%0.475CS..Hα-helixtrans-61.5-39.5172.800000112.2R223 D225 A233R223-A229 HydrophobicContact CB-CB 4.02Å; R223-A229 HydrophobicContact CG-CB 4.45Å; D225-A229 WeakPolarHBondContact O-CB 3.2Å; D225-A229 PolarHBondContact O-N 2.98Å; A229-A233 VanDerWaalsContact O-CB 3.24Å; A229-A233 WeakPolarHBondContact O-CB 3.39Å; A229-A233 PolarHBondContact O-N 3.34Å
230L61.1Low62.3Low85 Ų8597.3 Ų97.345%0.44548%0.479SS..Hα-helixtrans-65.1-49174.7-144.4110.6000110.6K226 R228 E232 A233 F234K226-L230 WeakPolarHBondContact O-CB 3.3Å; K226-L230 PolarHBondContact O-N 3.25Å; R228-L230 VanDerWaalsContact C-N 3.33Å; R228-L230 PolarHBondContact O-N 3.44Å; L230-E232 VanDerWaalsContact C-N 3.28Å; L230-E232 PolarHBondContact O-N 3.08Å; L230-A233 PolarHBondContact O-N 3.15Å; L230-F234 HydrophobicContact CD2-CD2 3.82Å; L230-F234 HydrophobicContact CD2-CE2 3.57Å; L230-F234 HydrophobicContact CG-CD2 3.9Å; L230-F234 HydrophobicContact CG-CE2 3.77Å; L230-F234 WeakPolarHBondContact O-CB 3.33Å; L230-F234 VanDerWaalsContact O-CD2 3.24Å; L230-F234 WeakPolarHBondContact O-CD2 3.27Å; L230-F234 PolarHBondContact O-N 3.34Å
231R62.9Low62.4Low188 Ų18894.6 Ų94.671%0.70947%0.465SS*.Hα-helixtrans-60.6-38.2179.5-167.3176.9-177.2-174.90.4112.5V227 R228 F234 Y235V227-R231 PolarHBondContact O-N 3.03Å; V227-R231 VanDerWaalsContact O-N 3.09Å; R228-R231 PolarHBondContact O-N 3.15Å; R231-F234 PolarHBondContact O-N 3.2Å; R231-Y235 HydrophobicContact CG-CD2 4.05Å; R231-Y235 WeakPolarHBondContact O-CB 3.41Å; R231-Y235 PolarHBondContact O-N 2.9Å
232E63.7Low62.4Low63 Ų6391.8 Ų91.829%0.29444%0.438SS..Hα-helixtrans-73.3-33.6178.2-164.4162.4-155.300112.4R228 L230R228-E232 VanDerWaalsContact O-CB 3.31Å; R228-E232 WeakPolarHBondContact O-CB 3.13Å; R228-E232 PolarHBondContact O-N 3.09Å; L230-E232 VanDerWaalsContact C-N 3.28Å; L230-E232 PolarHBondContact O-N 3.08Å
233A59.3Low62.6Low14 Ų1490.9 Ų90.912%0.11643%0.429CS..Hα-helixtrans-72.4-26.3172.400000113.6L219 A229 L230L219-A233 HydrophobicContact CD1-CB 4.13Å; A229-A233 VanDerWaalsContact O-CB 3.24Å; A229-A233 WeakPolarHBondContact O-CB 3.39Å; A229-A233 PolarHBondContact O-N 3.34Å; L230-A233 PolarHBondContact O-N 3.15Å
234F61.3Low63.3Low54 Ų5485.9 Ų85.924%0.23741%0.413CS..Hα-helixtrans-88.5-30.7178.2-88-86.5000113.9L230 R231 L242 L243 I246L230-F234 HydrophobicContact CD2-CD2 3.82Å; L230-F234 HydrophobicContact CD2-CE2 3.57Å; L230-F234 HydrophobicContact CG-CD2 3.9Å; L230-F234 HydrophobicContact CG-CE2 3.77Å; L230-F234 WeakPolarHBondContact O-CB 3.33Å; L230-F234 VanDerWaalsContact O-CD2 3.24Å; L230-F234 WeakPolarHBondContact O-CD2 3.27Å; L230-F234 PolarHBondContact O-N 3.34Å; R231-F234 PolarHBondContact O-N 3.2Å; F234-L242 HydrophobicContact CD1-CB 4.36Å; F234-L242 HydrophobicContact CD1-CD2 4.43Å; F234-L242 HydrophobicContact CE1-CB 4.32Å; F234-L242 HydrophobicContact CE1-CD2 3.64Å; F234-L242 HydrophobicContact CE1-CG 4.42Å; F234-L242 HydrophobicContact CE2-CD2 3.95Å; F234-L242 HydrophobicContact CZ-CD2 3.37Å; F234-L243 HydrophobicContact CD1-CB 4.46Å; F234-I246 HydrophobicContact CE1-CD1 4.05Å
235Y61.1Low64.5Low163 Ų16381.5 Ų81.564%0.63938%0.384SS*.SBendtrans-120.437.3-171.9-70.2-80.2000114.4R231 Q237 L243R231-Y235 HydrophobicContact CG-CD2 4.05Å; R231-Y235 WeakPolarHBondContact O-CB 3.41Å; R231-Y235 PolarHBondContact O-N 2.9Å; Y235-Q237 PolarHBondContact O-N 3.15Å; Y235-L243 HydrophobicContact CE1-CD1 4.33Å
236R63Low65.4Low30 Ų3081 Ų8111%0.11338%0.381CS..  trans-77.8122.4179.9-141.6160169.9-139.6-20.2110.6E208 F209 N241E208-R236 VanDerWaalsContact CD-CZ 3.45Å; E208-R236 IonicContact OE1-CZ 3.36Å; E208-R236 IonicContact OE1-NE 2.68Å; E208-R236 PolarHBondContact OE1-NE 3.07Å; E208-R236 IonicContact OE1-NH2 3.27Å; E208-R236 PolarHBondContact OE1-NH2 3.36Å; E208-R236 IonicContact OE2-CZ 3.26Å; E208-R236 IonicContact OE2-NE 2.71Å; E208-R236 IonicContact OE2-NH2 3.41Å; E208-R236 PolarHBondContact OE2-NH2 2.92Å; F209-R236 PolarHBondContact O-NH1 2.78Å; R236-N241 VanDerWaalsContact CA-OD1 3.23Å; R236-N241 WeakPolarHBondContact CA-OD1 3.26Å; R236-N241 WeakPolarHBondContact CB-OD1 3.49Å; R236-N241 PolarHBondContact N-ND2 2.81Å; R236-N241 PolarHBondContact N-OD1 3.35Å; R236-N241 VanDerWaalsContact O-CG 3.23Å; R236-N241 PolarHBondContact O-ND2 3.48Å; R236-N241 PolarHBondContact O-OD1 3.19Å
237Q56.1Low66.4Low190 Ų19074.5 Ų74.589%0.88835%0.354SS*.SBendtrans-77.9-27-177.2-72.7-178.2-2300113.4Y235Y235-Q237 PolarHBondContact O-N 3.15Å
238N56.5Low67.3Low122 Ų12269.1 Ų69.165%0.65232%0.321SS*.SBendtrans-99-12.1-169.4-66.4-3.6000114.5
239L61.2Low68.5Low27 Ų2764.6 Ų64.614%0.14131%0.314CS..SBendtrans-138.4158.4-171.5-80.2154.5000111.8E210 N241E210-L239 HydrophobicContact CB-CD2 4.34Å; E210-L239 HydrophobicContact CG-CD2 3.93Å; L239-N241 PolarHBondContact O-N 2.89Å; L239-N241 VanDerWaalsContact O-N 3.14Å; L239-N241 PolarHBondContact O-OD1 3.32Å
240P59.3Low69.9Low24 Ų2469.9 Ų69.916%0.15634%0.336CS..  trans-53.9119.3179.4-24.734.1000112K194 A212 I441K194-P240 HydrophobicContact CB-CG 4.38Å; K194-P240 HydrophobicContact CD-CG 3.74Å; A212-P240 HydrophobicContact CB-CB 4.36Å; A212-P240 WeakPolarHBondContact CB-O 3.44Å; P240-I441 HydrophobicContact CB-CD1 4.31Å
241N69.4Low71.1Confident16 Ų1665.9 Ų65.99%0.08632%0.315CS..  trans-87.9156.8179.6-70.7-35.1000112.5R236 L239 L243 N244 L245R236-N241 VanDerWaalsContact CA-OD1 3.23Å; R236-N241 WeakPolarHBondContact CA-OD1 3.26Å; R236-N241 WeakPolarHBondContact CB-OD1 3.49Å; R236-N241 PolarHBondContact N-ND2 2.81Å; R236-N241 PolarHBondContact N-OD1 3.35Å; R236-N241 VanDerWaalsContact O-CG 3.23Å; R236-N241 PolarHBondContact O-ND2 3.48Å; R236-N241 PolarHBondContact O-OD1 3.19Å; L239-N241 PolarHBondContact O-N 2.89Å; L239-N241 VanDerWaalsContact O-N 3.14Å; L239-N241 PolarHBondContact O-OD1 3.32Å; N241-L243 HydrophobicContact CB-CB 4.28Å; N241-L243 PolarHBondContact O-N 3.43Å; N241-N244 HydrophobicContact CB-CB 4.33Å; N241-N244 WeakPolarHBondContact O-CB 3.39Å; N241-N244 PolarHBondContact O-N 3.49Å; N241-L245 PolarHBondContact O-N 3.37Å; N241-L245 VanDerWaalsContact O-N 3.12Å
242L72.8Confident72.2Confident27 Ų2760.9 Ų60.914%0.14130%0.299CS..Hα-helixtrans-61.4-33.4165.1-159.280000111.6L216 F234 N244 L245 I246L216-L242 HydrophobicContact CD1-CB 4.49Å; L216-L242 HydrophobicContact CD1-CD1 3.84Å; L216-L242 HydrophobicContact CD1-CD2 3.4Å; L216-L242 VanDerWaalsContact CD1-CD2 3.4Å; L216-L242 HydrophobicContact CD1-CG 4.09Å; F234-L242 HydrophobicContact CD1-CB 4.36Å; F234-L242 HydrophobicContact CD1-CD2 4.43Å; F234-L242 HydrophobicContact CE1-CB 4.32Å; F234-L242 HydrophobicContact CE1-CD2 3.64Å; F234-L242 HydrophobicContact CE1-CG 4.42Å; F234-L242 HydrophobicContact CE2-CD2 3.95Å; F234-L242 HydrophobicContact CZ-CD2 3.37Å; L242-N244 VanDerWaalsContact C-N 3.32Å; L242-N244 PolarHBondContact O-N 3.3Å; L242-L245 PolarHBondContact O-N 2.93Å; L242-I246 HydrophobicContact CD2-CD1 4.23Å; L242-I246 HydrophobicContact CG-CD1 4.29Å; L242-I246 WeakPolarHBondContact O-CG1 3.3Å; L242-I246 PolarHBondContact O-N 3.42Å
243L75.6Confident73.4Confident67 Ų6760.6 Ų60.635%0.35131%0.307SS..Hα-helixtrans-61.6-41.5174.8-169.9146.6000111.4F234 Y235 N241 L245 I246 A247F234-L243 HydrophobicContact CD1-CB 4.46Å; Y235-L243 HydrophobicContact CE1-CD1 4.33Å; N241-L243 HydrophobicContact CB-CB 4.28Å; N241-L243 PolarHBondContact O-N 3.43Å; L243-L245 VanDerWaalsContact C-N 3.32Å; L243-L245 PolarHBondContact O-N 3.31Å; L243-I246 PolarHBondContact O-N 2.98Å; L243-A247 VanDerWaalsContact O-CB 3.29Å; L243-A247 WeakPolarHBondContact O-CB 3.49Å; L243-A247 PolarHBondContact O-N 3.17Å
244N77.4Confident74.7Confident35 Ų3561.4 Ų61.419%0.18731%0.311CS..Hα-helixtrans-66.3-36.7177.1-62.813.4000111N241 L242 A247 T248 G439 I441N241-N244 HydrophobicContact CB-CB 4.33Å; N241-N244 WeakPolarHBondContact O-CB 3.39Å; N241-N244 PolarHBondContact O-N 3.49Å; L242-N244 VanDerWaalsContact C-N 3.32Å; L242-N244 PolarHBondContact O-N 3.3Å; N244-A247 WeakPolarHBondContact O-CB 3.35Å; N244-A247 PolarHBondContact O-N 3.41Å; N244-T248 PolarHBondContact O-N 3.31Å; N244-T248 PolarHBondContact O-OG1 2.96Å; N244-G439 WeakPolarHBondContact CB-O 3.49Å; N244-G439 PolarHBondContact ND2-O 3.27Å; N244-I441 HydrophobicContact CB-CD1 4.18Å; N244-I441 HydrophobicContact CB-CG1 3.72Å
245L81.8Confident75.9Confident42 Ų4258.9 Ų58.922%0.2230%0.299CS..Hα-helixtrans-67.5-43.9175.5-171.2147000111.8A195 A212 V213 N241 L242 L243 A247 T248 V249 I441A195-L245 HydrophobicContact CB-CD1 3.6Å; A212-L245 HydrophobicContact CB-CD1 4.5Å; V213-L245 HydrophobicContact CG2-CD1 3.96Å; N241-L245 PolarHBondContact O-N 3.37Å; N241-L245 VanDerWaalsContact O-N 3.12Å; L242-L245 PolarHBondContact O-N 2.93Å; L243-L245 VanDerWaalsContact C-N 3.32Å; L243-L245 PolarHBondContact O-N 3.31Å; L245-A247 VanDerWaalsContact C-N 3.32Å; L245-T248 WeakPolarHBondContact O-CB 3.1Å; L245-T248 PolarHBondContact O-N 3.2Å; L245-V249 HydrophobicContact CD2-CG2 4.48Å; L245-V249 WeakPolarHBondContact O-CG2 3.44Å; L245-V249 PolarHBondContact O-N 2.76Å; L245-I441 HydrophobicContact CB-CD1 3.93Å
246I83.8Confident77.1Confident91 Ų9154.2 Ų54.247%0.46729%0.285SS..Hα-helixtrans-63.2-41.5174.7-67.7165.6000110.4F234 L242 L243 T248 V249 F250F234-I246 HydrophobicContact CE1-CD1 4.05Å; L242-I246 HydrophobicContact CD2-CD1 4.23Å; L242-I246 HydrophobicContact CG-CD1 4.29Å; L242-I246 WeakPolarHBondContact O-CG1 3.3Å; L242-I246 PolarHBondContact O-N 3.42Å; L243-I246 PolarHBondContact O-N 2.98Å; I246-T248 VanDerWaalsContact C-N 3.35Å; I246-T248 PolarHBondContact O-N 3.49Å; I246-V249 PolarHBondContact O-N 2.91Å; I246-F250 WeakPolarHBondContact O-CB 3.45Å; I246-F250 PolarHBondContact O-N 3.45Å
247A82.6Confident78.3Confident9 Ų960.1 Ų60.17%0.07431%0.308CS..Hα-helixtrans-59.4-44.1173.800000111.7L243 N244 L245 V249 F250 V251 L438L243-A247 VanDerWaalsContact O-CB 3.29Å; L243-A247 WeakPolarHBondContact O-CB 3.49Å; L243-A247 PolarHBondContact O-N 3.17Å; N244-A247 WeakPolarHBondContact O-CB 3.35Å; N244-A247 PolarHBondContact O-N 3.41Å; L245-A247 VanDerWaalsContact C-N 3.32Å; A247-V249 PolarHBondContact O-N 3.36Å; A247-F250 PolarHBondContact O-N 2.84Å; A247-V251 VanDerWaalsContact O-CG2 3.31Å; A247-V251 WeakPolarHBondContact O-CG2 3.36Å; A247-V251 PolarHBondContact O-N 3.47Å; A247-L438 HydrophobicContact CB-CB 3.95Å
248T84.4Confident79.7Confident13 Ų1354.1 Ų54.18%0.0828%0.279CS..Hα-helixtrans-59.2-45.1174.5-61.90000111.7N244 L245 I246 F250 V251 F252 I441 I447N244-T248 PolarHBondContact O-N 3.31Å; N244-T248 PolarHBondContact O-OG1 2.96Å; L245-T248 WeakPolarHBondContact O-CB 3.1Å; L245-T248 PolarHBondContact O-N 3.2Å; I246-T248 VanDerWaalsContact C-N 3.35Å; I246-T248 PolarHBondContact O-N 3.49Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact O-N 3.08Å; T248-V251 PolarHBondContact O-N 3.15Å; T248-F252 VanDerWaalsContact O-CB 3.27Å; T248-F252 WeakPolarHBondContact O-CB 3.2Å; T248-F252 PolarHBondContact O-N 3.5Å; T248-I441 PolarHBondContact OG1-N 3.16Å; T248-I447 HydrophobicContact CG2-CD1 3.81Å; T248-I447 HydrophobicContact CG2-CG1 4.24Å
249V87.2Confident80.9Confident90 Ų9048.7 Ų48.755%0.54525%0.25SS..Hα-helixtrans-63.9-40.7177.31740000111.4L245 I246 A247 F252 A253L245-V249 HydrophobicContact CD2-CG2 4.48Å; L245-V249 WeakPolarHBondContact O-CG2 3.44Å; L245-V249 PolarHBondContact O-N 2.76Å; I246-V249 PolarHBondContact O-N 2.91Å; A247-V249 PolarHBondContact O-N 3.36Å; V249-F252 WeakPolarHBondContact O-CB 3.3Å; V249-F252 PolarHBondContact O-N 3.35Å; V249-A253 PolarHBondContact O-N 3.47Å
250F87.4Confident81.8Confident118 Ų11849.3 Ų49.352%0.51826%0.263SS..Hα-helixtrans-62.5-49.5176.5177.6-102.4000111.6I246 A247 T248 F252 A253 V254 L438I246-F250 WeakPolarHBondContact O-CB 3.45Å; I246-F250 PolarHBondContact O-N 3.45Å; A247-F250 PolarHBondContact O-N 2.84Å; T248-F250 VanDerWaalsContact C-N 3.35Å; T248-F250 PolarHBondContact O-N 3.08Å; F250-F252 VanDerWaalsContact C-N 3.3Å; F250-F252 PolarHBondContact O-N 3.2Å; F250-A253 PolarHBondContact O-N 2.81Å; F250-V254 HydrophobicContact CD1-CG2 4.44Å; F250-V254 HydrophobicContact CE1-CG2 4.06Å; F250-V254 HydrophobicContact CE2-CG2 4.22Å; F250-V254 HydrophobicContact CZ-CG2 3.94Å; F250-V254 WeakPolarHBondContact O-CG2 3.27Å; F250-V254 PolarHBondContact O-N 3.48Å; F250-L438 HydrophobicContact CD1-CD1 4.31Å
251V86.1Confident83.1Confident0 Ų052.2 Ų52.20%027%0.273CS..Hα-helixtrans-58.4-44.6175.4170.80000110.5A247 T248 A253 V254 V255 M434 A435 L438 I447A247-V251 VanDerWaalsContact O-CG2 3.31Å; A247-V251 WeakPolarHBondContact O-CG2 3.36Å; A247-V251 PolarHBondContact O-N 3.47Å; T248-V251 PolarHBondContact O-N 3.15Å; V251-A253 VanDerWaalsContact C-N 3.35Å; V251-A253 PolarHBondContact O-N 3.23Å; V251-V254 PolarHBondContact O-N 3.39Å; V251-V255 HydrophobicContact CG1-CG2 4.15Å; V251-V255 VanDerWaalsContact O-CG2 3.27Å; V251-V255 WeakPolarHBondContact O-CG2 3.47Å; V251-V255 PolarHBondContact O-N 2.96Å; V251-M434 HydrophobicContact CG2-CE 4.49Å; V251-A435 HydrophobicContact CB-CB 4.47Å; V251-A435 HydrophobicContact CG1-CB 3.77Å; V251-A435 HydrophobicContact CG2-CB 3.91Å; V251-L438 HydrophobicContact CG2-CD1 4.02Å; V251-I447 HydrophobicContact CG1-CG2 4.35Å
252F86.7Confident83.9Confident84 Ų8458.7 Ų58.737%0.36830%0.297SS..Hα-helixtrans-57-46.5178.3-171.8-90.2000112T248 V249 F250 V255 I256 V451T248-F252 VanDerWaalsContact O-CB 3.27Å; T248-F252 WeakPolarHBondContact O-CB 3.2Å; T248-F252 PolarHBondContact O-N 3.5Å; V249-F252 WeakPolarHBondContact O-CB 3.3Å; V249-F252 PolarHBondContact O-N 3.35Å; F250-F252 VanDerWaalsContact C-N 3.3Å; F250-F252 PolarHBondContact O-N 3.2Å; F252-V255 PolarHBondContact O-N 3.34Å; F252-I256 HydrophobicContact CD1-CD1 3.58Å; F252-I256 HydrophobicContact CD1-CG1 4.49Å; F252-I256 HydrophobicContact CE1-CD1 3.19Å; F252-I256 HydrophobicContact CE1-CG1 4.32Å; F252-I256 HydrophobicContact CZ-CD1 3.86Å; F252-I256 WeakPolarHBondContact O-CG1 3.47Å; F252-I256 PolarHBondContact O-N 3.22Å; F252-I256 VanDerWaalsContact O-N 3.11Å; F252-V451 HydrophobicContact CD2-CB 4.34Å; F252-V451 HydrophobicContact CD2-CG1 4.42Å; F252-V451 HydrophobicContact CD2-CG2 3.18Å; F252-V451 HydrophobicContact CE2-CB 4.2Å; F252-V451 HydrophobicContact CE2-CG1 4.21Å; F252-V451 HydrophobicContact CE2-CG2 3.41Å; F252-V451 VanDerWaalsContact CE2-CG2 3.41Å; F252-V451 HydrophobicContact CG-CG2 4.06Å; F252-V451 HydrophobicContact CZ-CG2 4.46Å
253A87.9Confident84.5Confident57 Ų5760.8 Ų60.847%0.47131%0.31SS..Hα-helixtrans-64.1-42.2177.800000112.3V249 F250 V251 I256 Y257V249-A253 PolarHBondContact O-N 3.47Å; F250-A253 PolarHBondContact O-N 2.81Å; V251-A253 VanDerWaalsContact C-N 3.35Å; V251-A253 PolarHBondContact O-N 3.23Å; A253-I256 PolarHBondContact O-N 3.03Å; A253-Y257 PolarHBondContact O-N 3.4Å; A253-Y257 VanDerWaalsContact O-N 3.08Å
254V88.3Confident84.9Confident31 Ų3160.7 Ų60.719%0.18831%0.31CS..Hα-helixtrans-63.8-44.6177.9173.50000111F250 V251 I256 Y257 F258 L431 M434F250-V254 HydrophobicContact CD1-CG2 4.44Å; F250-V254 HydrophobicContact CE1-CG2 4.06Å; F250-V254 HydrophobicContact CE2-CG2 4.22Å; F250-V254 HydrophobicContact CZ-CG2 3.94Å; F250-V254 WeakPolarHBondContact O-CG2 3.27Å; F250-V254 PolarHBondContact O-N 3.48Å; V251-V254 PolarHBondContact O-N 3.39Å; V254-I256 PolarHBondContact O-N 3.41Å; V254-Y257 WeakPolarHBondContact O-CB 3.45Å; V254-Y257 PolarHBondContact O-N 3.04Å; V254-F258 HydrophobicContact CG1-CD2 3.63Å; V254-F258 HydrophobicContact CG1-CE2 3.49Å; V254-F258 VanDerWaalsContact CG1-CE2 3.49Å; V254-F258 VanDerWaalsContact O-CD2 3.23Å; V254-F258 WeakPolarHBondContact O-CD2 3.43Å; V254-F258 PolarHBondContact O-N 3.2Å; V254-L431 HydrophobicContact CG1-CD2 3.67Å; V254-M434 HydrophobicContact CG1-CE 4.34Å
255V85.8Confident85.2Confident0 Ų059.6 Ų59.60%030%0.304CS..Hα-helixtrans-61.7-45178.5174.80000111V251 F252 Y257 F258 Q259 L431 L448 V451V251-V255 HydrophobicContact CG1-CG2 4.15Å; V251-V255 VanDerWaalsContact O-CG2 3.27Å; V251-V255 WeakPolarHBondContact O-CG2 3.47Å; V251-V255 PolarHBondContact O-N 2.96Å; F252-V255 PolarHBondContact O-N 3.34Å; V255-Y257 VanDerWaalsContact C-N 3.28Å; V255-Y257 PolarHBondContact O-N 3.41Å; V255-F258 PolarHBondContact O-N 3.45Å; V255-Q259 WeakPolarHBondContact O-CB 3.41Å; V255-Q259 PolarHBondContact O-N 3.25Å; V255-L431 HydrophobicContact CG2-CD1 4.29Å; V255-L448 HydrophobicContact CG1-CD2 3.83Å; V255-L448 HydrophobicContact CG2-CD2 3.93Å; V255-L448 HydrophobicContact CG2-CG 4.01Å; V255-V451 HydrophobicContact CB-CB 4.49Å; V255-V451 HydrophobicContact CB-CG1 4.12Å; V255-V451 HydrophobicContact CG1-CB 3.86Å; V255-V451 HydrophobicContact CG1-CG1 3.63Å; V255-V451 HydrophobicContact CG1-CG2 4.41Å
256I86.3Confident85.2Confident66 Ų6660.7 Ų60.734%0.33831%0.314SS..Hα-helixtrans-58.6-42.4176.1-69.9171.8000111.2F252 A253 V254 Q259 G260 V451F252-I256 HydrophobicContact CD1-CD1 3.58Å; F252-I256 HydrophobicContact CD1-CG1 4.49Å; F252-I256 HydrophobicContact CE1-CD1 3.19Å; F252-I256 HydrophobicContact CE1-CG1 4.32Å; F252-I256 HydrophobicContact CZ-CD1 3.86Å; F252-I256 WeakPolarHBondContact O-CG1 3.47Å; F252-I256 PolarHBondContact O-N 3.22Å; F252-I256 VanDerWaalsContact O-N 3.11Å; A253-I256 PolarHBondContact O-N 3.03Å; V254-I256 PolarHBondContact O-N 3.41Å; I256-Q259 WeakPolarHBondContact O-CB 3.47Å; I256-Q259 PolarHBondContact O-N 2.87Å; I256-G260 PolarHBondContact O-N 3.37Å; I256-V451 HydrophobicContact CD1-CG1 4.45Å; I256-V451 HydrophobicContact CG1-CG1 3.66Å
257Y87.5Confident85.2Confident154 Ų15457 Ų5760%0.60430%0.295SS*.Hα-helixtrans-61-47178.6179.3-101.3000112A253 V254 V255 Q259 G260 F261A253-Y257 PolarHBondContact O-N 3.4Å; A253-Y257 VanDerWaalsContact O-N 3.08Å; V254-Y257 WeakPolarHBondContact O-CB 3.45Å; V254-Y257 PolarHBondContact O-N 3.04Å; V255-Y257 VanDerWaalsContact C-N 3.28Å; V255-Y257 PolarHBondContact O-N 3.41Å; Y257-Q259 VanDerWaalsContact C-N 3.32Å; Y257-Q259 PolarHBondContact O-N 3Å; Y257-G260 PolarHBondContact O-N 3.38Å; Y257-F261 HydrophobicContact CD1-CE1 4.26Å; Y257-F261 HydrophobicContact CD1-CZ 4.4Å; Y257-F261 AromaticContact CE1-CE1 3.7Å; Y257-F261 HydrophobicContact CE1-CE1 3.7Å; Y257-F261 AromaticContact CE1-CZ 3.61Å; Y257-F261 HydrophobicContact CE1-CZ 3.61Å; Y257-F261 HydrophobicContact CE2-CE1 4.38Å; Y257-F261 AromaticContact CZ-CE1 3.77Å; Y257-F261 AromaticContact CZ-CZ 3.93Å
258F84.9Confident85.1Confident63 Ų6361 Ų6128%0.27631%0.311SS..Hα-helixtrans-67.1-31.6176.4-78.9-71000113.1V254 V255 G260 F261 L283 F284 L431V254-F258 HydrophobicContact CG1-CD2 3.63Å; V254-F258 HydrophobicContact CG1-CE2 3.49Å; V254-F258 VanDerWaalsContact CG1-CE2 3.49Å; V254-F258 VanDerWaalsContact O-CD2 3.23Å; V254-F258 WeakPolarHBondContact O-CD2 3.43Å; V254-F258 PolarHBondContact O-N 3.2Å; V255-F258 PolarHBondContact O-N 3.45Å; F258-G260 PolarHBondContact O-N 3.03Å; F258-F261 HydrophobicContact CD1-CD2 4.49Å; F258-F261 HydrophobicContact CD1-CE2 4.4Å; F258-F261 WeakPolarHBondContact O-CB 3.5Å; F258-F261 PolarHBondContact O-N 2.86Å; F258-F261 VanDerWaalsContact O-N 3.15Å; F258-L283 HydrophobicContact CD1-CD2 4.41Å; F258-F284 HydrophobicContact CB-CE2 4.02Å; F258-F284 HydrophobicContact CB-CZ 3.81Å; F258-L431 HydrophobicContact CB-CD1 4.45Å; F258-L431 HydrophobicContact CD2-CD1 3.99Å; F258-L431 HydrophobicContact CD2-CD2 4.15Å; F258-L431 HydrophobicContact CE2-CD2 4.15Å; F258-L431 HydrophobicContact CG-CD1 4.39Å
259Q81.7Confident84.8Confident9 Ų961.2 Ų61.24%0.04231%0.313CS..Hα-helixtrans-63.6-28.2176.9-16173.425.100112.5V255 I256 Y257 F261 F284 T452 Y455V255-Q259 WeakPolarHBondContact O-CB 3.41Å; V255-Q259 PolarHBondContact O-N 3.25Å; I256-Q259 WeakPolarHBondContact O-CB 3.47Å; I256-Q259 PolarHBondContact O-N 2.87Å; Y257-Q259 VanDerWaalsContact C-N 3.32Å; Y257-Q259 PolarHBondContact O-N 3Å; Q259-F261 PolarHBondContact O-N 3.5Å; Q259-F284 HydrophobicContact CB-CD2 4.48Å; Q259-F284 HydrophobicContact CB-CE2 4.3Å; Q259-F284 VanDerWaalsContact CD-CD2 3.49Å; Q259-F284 HydrophobicContact CG-CD2 4.48Å; Q259-T452 PolarHBondContact OE1-OG1 3.42Å; Q259-Y455 HydrophobicContact CB-CD1 4.36Å; Q259-Y455 HydrophobicContact CB-CD2 4.42Å; Q259-Y455 HydrophobicContact CB-CE1 4.43Å; Q259-Y455 HydrophobicContact CB-CE2 4.49Å; Q259-Y455 HydrophobicContact CB-CG 4.34Å; Q259-Y455 HydrophobicContact CG-CD1 3.25Å; Q259-Y455 HydrophobicContact CG-CD2 4.03Å; Q259-Y455 HydrophobicContact CG-CE1 3.58Å; Q259-Y455 HydrophobicContact CG-CE2 4.3Å; Q259-Y455 HydrophobicContact CG-CG 3.49Å; Q259-Y455 VanDerWaalsContact CG-CG 3.49Å
260G81.7Confident84.2Confident40 Ų4059.9 Ų59.941%0.41231%0.311SS..THydrogen-bonded Turntrans-70.8-13.3176.400000114.4I256 Y257 F258 R262I256-G260 PolarHBondContact O-N 3.37Å; Y257-G260 PolarHBondContact O-N 3.38Å; F258-G260 PolarHBondContact O-N 3.03Å; G260-R262 PolarHBondContact O-N 2.83Å
261F86.4Confident83.6Confident85 Ų8563.4 Ų63.437%0.37332%0.321SS..  trans-74.7116.3-176.8-7718.5000110.8Y257 F258 Q259 L283Y257-F261 HydrophobicContact CD1-CE1 4.26Å; Y257-F261 HydrophobicContact CD1-CZ 4.4Å; Y257-F261 AromaticContact CE1-CE1 3.7Å; Y257-F261 HydrophobicContact CE1-CE1 3.7Å; Y257-F261 AromaticContact CE1-CZ 3.61Å; Y257-F261 HydrophobicContact CE1-CZ 3.61Å; Y257-F261 HydrophobicContact CE2-CE1 4.38Å; Y257-F261 AromaticContact CZ-CE1 3.77Å; Y257-F261 AromaticContact CZ-CZ 3.93Å; F258-F261 HydrophobicContact CD1-CD2 4.49Å; F258-F261 HydrophobicContact CD1-CE2 4.4Å; F258-F261 WeakPolarHBondContact O-CB 3.5Å; F258-F261 PolarHBondContact O-N 2.86Å; F258-F261 VanDerWaalsContact O-N 3.15Å; Q259-F261 PolarHBondContact O-N 3.5Å; F261-L283 HydrophobicContact CB-CB 3.96Å; F261-L283 HydrophobicContact CB-CD2 4.13Å; F261-L283 HydrophobicContact CD2-CD2 4.19Å; F261-L283 WeakPolarHBondContact O-CB 3.49Å; F261-L283 PolarHBondContact O-N 3.33Å
262R85Confident83.1Confident152 Ų15270 Ų7057%0.57435%0.347SS*.EExtended strand (participates in β ladder)trans-139.1147.517669.3-176.9-168.7-152.9-5.5111.5G260 D264 I281 K282G260-R262 PolarHBondContact O-N 2.83Å; R262-D264 IonicContact CZ-OD2 3.21Å; R262-D264 IonicContact NE-OD1 3.81Å; R262-D264 PolarHBondContact NE-OD1 3.41Å; R262-D264 IonicContact NE-OD2 3.64Å; R262-D264 PolarHBondContact NE-OD2 3.2Å; R262-D264 VanDerWaalsContact NE-OD2 3.13Å; R262-D264 IonicContact NH2-OD2 3.03Å; R262-I281 CarbonylContact C-O 3.56Å; R262-I281 WeakPolarHBondContact CA-O 3.28Å; R262-K282 HydrophobicContact CB-CG 4.35Å
263V85.2Confident82.3Confident71 Ų7178.3 Ų78.343%0.4338%0.375SS..EExtended strand (participates in β ladder)trans-106.1110173179.40000107.6I281 Y416V263-I281 PolarHBondContact N-O 3Å; V263-I281 PolarHBondContact O-N 2.58Å; V263-Y416 HydrophobicContact CG1-CD1 4.37Å; V263-Y416 HydrophobicContact CG1-CE1 4.37Å
264D84.6Confident81.6Confident65 Ų6578.1 Ų78.135%0.34838%0.379SS..EExtended strand (participates in β ladder)trans-88.2113.9-177.9-70.3-35.6000110.5R262 P280R262-D264 IonicContact CZ-OD2 3.21Å; R262-D264 IonicContact NE-OD1 3.81Å; R262-D264 PolarHBondContact NE-OD1 3.41Å; R262-D264 IonicContact NE-OD2 3.64Å; R262-D264 PolarHBondContact NE-OD2 3.2Å; R262-D264 VanDerWaalsContact NE-OD2 3.13Å; R262-D264 IonicContact NH2-OD2 3.03Å; D264-P280 VanDerWaalsContact OD1-CA 3.3Å; D264-P280 WeakPolarHBondContact OD1-CA 3.18Å; D264-P280 WeakPolarHBondContact OD1-CB 3.47Å
265L84.1Confident81Confident12 Ų1281 Ų816%0.06339%0.391CS..EExtended strand (participates in β ladder)trans-96.2124.1176.9-68.7176000110.7I267 Y279 I281 M401 L413 Y416L265-I267 PolarHBondContact O-N 3.2Å; L265-Y279 PolarHBondContact N-O 3.45Å; L265-Y279 PolarHBondContact O-N 2.93Å; L265-I281 HydrophobicContact CD1-CD1 3.41Å; L265-I281 VanDerWaalsContact CD1-CD1 3.41Å; L265-I281 HydrophobicContact CD1-CG1 4.13Å; L265-I281 HydrophobicContact CG-CD1 4.37Å; L265-M401 HydrophobicContact CB-CE 3.98Å; L265-M401 HydrophobicContact CD1-CE 3.71Å; L265-M401 HydrophobicContact CD2-CE 4.24Å; L265-M401 HydrophobicContact CG-CE 4.2Å; L265-L413 HydrophobicContact CD1-CD2 3.97Å; L265-Y416 HydrophobicContact CD1-CD2 4.26Å; L265-Y416 HydrophobicContact CD2-CD2 4.13Å; L265-Y416 HydrophobicContact CD2-CE2 3.92Å
266P81.8Confident80.5Confident64 Ų6489.5 Ų89.542%0.41642%0.424SS..EExtended strand (participates in β ladder)trans-74.4120.3-178.528.8-33.5000111.5R402P266-R402 HydrophobicContact CG-CB 4.46Å; P266-R402 PolarHBondContact O-N 3.44Å
267I83.4Confident80.1Confident15 Ų1589.8 Ų89.88%0.07743%0.426CS..EExtended strand (participates in β ladder)trans-115.4141.6174.855.7169.7000110.7L265 N277 L394 M399L265-I267 PolarHBondContact O-N 3.2Å; I267-N277 CarbonylContact C-O 3.55Å; I267-N277 HydrophobicContact CD1-CB 4.31Å; I267-N277 HydrophobicContact CG1-CB 4Å; I267-N277 WeakPolarHBondContact CG1-O 3.47Å; I267-N277 PolarHBondContact N-O 3.04Å; I267-N277 PolarHBondContact O-N 3.25Å; I267-L394 HydrophobicContact CD1-CD2 4.4Å; I267-M399 HydrophobicContact CB-CE 4.28Å; I267-M399 HydrophobicContact CD1-CE 3.53Å; I267-M399 HydrophobicContact CG1-CE 3.86Å
268K81.5Confident79.8Confident93 Ų9386.8 Ų86.840%0.40442%0.424SS..EExtended strand (participates in β ladder)trans-113.5141.9174.653.2169.5-177.11750109.2V400K268-V400 HydrophobicContact CG-CB 4.41Å; K268-V400 WeakPolarHBondContact CG-O 3.31Å; K268-V400 PolarHBondContact N-O 3.34Å; K268-V400 PolarHBondContact O-N 3.39Å
269S77.4Confident79.7Confident17 Ų1787 Ų8712%0.11942%0.424CS..EExtended strand (participates in β ladder)trans-71.2132.2166.4-173.20000109.4R271 Y272 Q275S269-R271 VanDerWaalsContact C-N 3.28Å; S269-R271 PolarHBondContact OG-N 3.27Å; S269-Y272 PolarHBondContact OG-N 3.09Å; S269-Q275 PolarHBondContact N-O 2.96Å
270A73.8Confident79.7Confident61 Ų6189 Ų8950%0.50444%0.437SS..SBendtrans-73.6-25.8169.900000111.6Q398 V400A270-Q398 HydrophobicContact CB-CB 4.5Å; A270-Q398 VanDerWaalsContact CB-O 3.31Å; A270-Q398 WeakPolarHBondContact CB-O 3.37Å; A270-Q398 PolarHBondContact N-O 3.31Å; A270-V400 HydrophobicContact CB-CG2 4.11Å
271R75.8Confident79.7Confident193 Ų19387.2 Ų87.273%0.72842%0.419SS*.SBendtrans-81.7-40.9-176.4-168.8175.5-175.11780.8112.9S269S269-R271 VanDerWaalsContact C-N 3.28Å; S269-R271 PolarHBondContact OG-N 3.27Å
272Y74.5Confident79.5Confident138 Ų13885.8 Ų85.854%0.54141%0.412SS..SBendtrans-112.3110-179.5-66.1-79.8000110.7S269 G274 Q275S269-Y272 PolarHBondContact OG-N 3.09Å; Y272-G274 PolarHBondContact O-N 3.39Å; Y272-Q275 PolarHBondContact O-N 3.41Å
273R71.1Confident79.1Confident258 Ų25880 Ų8097%0.97439%0.392SS*.THydrogen-bonded Turntrans-68.8124.3-179.8-165.5171.8-178.9167.1-1.1109.6
274G72.8Confident78.7Confident54 Ų5476.9 Ų76.956%0.55737%0.373SS*.THydrogen-bonded Turntrans96.2-4.417800000115.5Y272 Y276Y272-G274 PolarHBondContact O-N 3.39Å; G274-Y276 VanDerWaalsContact O-CD2 3.23Å; G274-Y276 WeakPolarHBondContact O-CD2 3.45Å; G274-Y276 WeakPolarHBondContact O-CE2 3.2Å; G274-Y276 PolarHBondContact O-N 3.47Å
275Q75.9Confident77.6Confident92 Ų9275.7 Ų75.743%0.4336%0.364SS..  trans-82.9108173.2-169.4167.92.400110.5S269 Y272S269-Q275 PolarHBondContact N-O 2.96Å; Y272-Q275 PolarHBondContact O-N 3.41Å
276Y74.3Confident76.7Confident177 Ų17775.6 Ų75.669%0.69436%0.364SS*.EExtended strand (participates in β ladder)trans-100121175.5-60-77.4000109.5G274G274-Y276 VanDerWaalsContact O-CD2 3.23Å; G274-Y276 WeakPolarHBondContact O-CD2 3.45Å; G274-Y276 WeakPolarHBondContact O-CE2 3.2Å; G274-Y276 PolarHBondContact O-N 3.47Å
277N78.3Confident76.2Confident72 Ų7274.3 Ų74.339%0.38536%0.357SS..EExtended strand (participates in β ladder)trans-120.1152.2170.9-70.5-15.4000108.6I267 M399I267-N277 CarbonylContact C-O 3.55Å; I267-N277 HydrophobicContact CD1-CB 4.31Å; I267-N277 HydrophobicContact CG1-CB 4Å; I267-N277 WeakPolarHBondContact CG1-O 3.47Å; I267-N277 PolarHBondContact N-O 3.04Å; I267-N277 PolarHBondContact O-N 3.25Å; N277-M399 HydrophobicContact CB-CE 4.24Å
278T81.8Confident75.6Confident92 Ų9274 Ų7456%0.56436%0.355SS*.EExtended strand (participates in β ladder)trans-105134171.747.70000108.8P280T278-P280 VanDerWaalsContact O-CD 3.28Å; T278-P280 WeakPolarHBondContact O-CD 3.35Å
279Y82.1Confident75.1Confident67 Ų6772.4 Ų72.426%0.26335%0.35SS..EExtended strand (participates in β ladder)trans-98.1103.8171.1-170.8-97.1000108.8L265 I281 V390L265-Y279 PolarHBondContact N-O 3.45Å; L265-Y279 PolarHBondContact O-N 2.93Å; Y279-I281 HydrophobicContact CD1-CG1 3.96Å; Y279-I281 HydrophobicContact CE1-CG1 4.03Å; Y279-I281 PolarHBondContact O-N 3.31Å; Y279-V390 HydrophobicContact CE1-CG1 4.36Å
280P82.1Confident74.7Confident51 Ų5171.7 Ų71.733%0.33135%0.345SS..EExtended strand (participates in β ladder)trans-75.4118.7179.828.6-33.3000110.8D264 T278D264-P280 VanDerWaalsContact OD1-CA 3.3Å; D264-P280 WeakPolarHBondContact OD1-CA 3.18Å; D264-P280 WeakPolarHBondContact OD1-CB 3.47Å; T278-P280 VanDerWaalsContact O-CD 3.28Å; T278-P280 WeakPolarHBondContact O-CD 3.35Å
281I81.4Confident74.8Confident3 Ų368.9 Ų68.92%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-94.8106.4164.7-59-175.3000107.6R262 V263 L265 Y279 Y285 L413 I417 A420R262-I281 CarbonylContact C-O 3.56Å; R262-I281 WeakPolarHBondContact CA-O 3.28Å; V263-I281 PolarHBondContact N-O 3Å; V263-I281 PolarHBondContact O-N 2.58Å; L265-I281 HydrophobicContact CD1-CD1 3.41Å; L265-I281 VanDerWaalsContact CD1-CD1 3.41Å; L265-I281 HydrophobicContact CD1-CG1 4.13Å; L265-I281 HydrophobicContact CG-CD1 4.37Å; Y279-I281 HydrophobicContact CD1-CG1 3.96Å; Y279-I281 HydrophobicContact CE1-CG1 4.03Å; Y279-I281 PolarHBondContact O-N 3.31Å; I281-Y285 HydrophobicContact CG2-CD2 3.76Å; I281-Y285 HydrophobicContact CG2-CE2 4.16Å; I281-L413 HydrophobicContact CD1-CD2 4.19Å; I281-I417 HydrophobicContact CD1-CG1 4.03Å; I281-A420 HydrophobicContact CG2-CB 4.16Å
282K81.4Confident74.8Confident55 Ų5561.4 Ų61.424%0.23930%0.296CS..EExtended strand (participates in β ladder)trans-72.6150.1177.4-62.1177.2-169.21680110.9R262 F284 Y285 E459R262-K282 HydrophobicContact CB-CG 4.35Å; K282-F284 PolarHBondContact O-N 2.93Å; K282-Y285 PolarHBondContact O-N 2.94Å; K282-E459 WeakPolarHBondContact CE-OE1 3.35Å; K282-E459 WeakPolarHBondContact CE-OE2 3.24Å; K282-E459 IonicContact NZ-OE1 3.89Å; K282-E459 PolarHBondContact NZ-OE1 3.21Å; K282-E459 IonicContact NZ-OE2 2.65Å; K282-E459 PolarHBondContact NZ-OE2 3.02Å
283L78.1Confident74.9Confident29 Ų2956.5 Ų56.515%0.15228%0.279CS..SBendtrans-55.1-44.5172.4-168.171.8000111F258 F261 Y285 A420 F423 G424F258-L283 HydrophobicContact CD1-CD2 4.41Å; F261-L283 HydrophobicContact CB-CB 3.96Å; F261-L283 HydrophobicContact CB-CD2 4.13Å; F261-L283 HydrophobicContact CD2-CD2 4.19Å; F261-L283 WeakPolarHBondContact O-CB 3.49Å; F261-L283 PolarHBondContact O-N 3.33Å; L283-Y285 PolarHBondContact O-N 3.48Å; L283-A420 VanDerWaalsContact O-O 3.05Å; L283-F423 HydrophobicContact CD1-CD1 3.69Å; L283-F423 HydrophobicContact CD1-CE1 4.06Å; L283-F423 HydrophobicContact CG-CD1 4.49Å; L283-G424 WeakPolarHBondContact O-CA 3.41Å
284F75.9Confident75.4Confident7 Ų744.5 Ų44.53%0.03123%0.234CC..SBendtrans-85.363.6173.8-56-47.2000111.6F258 Q259 K282 T286 S287 C427 I428 L431F258-F284 HydrophobicContact CB-CE2 4.02Å; F258-F284 HydrophobicContact CB-CZ 3.81Å; Q259-F284 HydrophobicContact CB-CD2 4.48Å; Q259-F284 HydrophobicContact CB-CE2 4.3Å; Q259-F284 VanDerWaalsContact CD-CD2 3.49Å; Q259-F284 HydrophobicContact CG-CD2 4.48Å; K282-F284 PolarHBondContact O-N 2.93Å; F284-T286 PolarHBondContact O-N 3.01Å; F284-S287 PolarHBondContact O-N 3.47Å; F284-S287 VanDerWaalsContact O-N 3.09Å; F284-C427 HydrophobicContact CE1-CB 4.19Å; F284-I428 HydrophobicContact CB-CD1 4.38Å; F284-I428 HydrophobicContact CD1-CD1 3.49Å; F284-I428 VanDerWaalsContact CD1-CD1 3.49Å; F284-I428 HydrophobicContact CD1-CG1 3.43Å; F284-I428 VanDerWaalsContact CD1-CG1 3.43Å; F284-I428 HydrophobicContact CE1-CD1 3.99Å; F284-I428 HydrophobicContact CE1-CG1 3.35Å; F284-I428 HydrophobicContact CG-CD1 4.09Å; F284-I428 HydrophobicContact CG-CG1 4.32Å; F284-I428 HydrophobicContact CZ-CG1 4.15Å; F284-L431 HydrophobicContact CZ-CD1 4.3Å
285Y62.6Low75.6Confident39 Ų3942.7 Ų42.715%0.15321%0.213CC..THydrogen-bonded Turntrans-59.6-47.3-173.6-171.7-104.8000113.1I281 K282 L283 S287 I380 S385 V390 I417 A421I281-Y285 HydrophobicContact CG2-CD2 3.76Å; I281-Y285 HydrophobicContact CG2-CE2 4.16Å; K282-Y285 PolarHBondContact O-N 2.94Å; L283-Y285 PolarHBondContact O-N 3.48Å; Y285-S287 PolarHBondContact O-N 3.2Å; Y285-I380 HydrophobicContact CD1-CG1 4.34Å; Y285-S385 WeakPolarHBondContact CE1-O 3.32Å; Y285-S385 PolarHBondContact OH-O 2.71Å; Y285-S385 VanDerWaalsContact OH-O 3.06Å; Y285-V390 WeakPolarHBondContact OH-CG2 3.38Å; Y285-I417 HydrophobicContact CD1-CG2 3.97Å; Y285-I417 HydrophobicContact CE1-CG2 3.47Å; Y285-I417 VanDerWaalsContact CE1-CG2 3.47Å; Y285-I417 HydrophobicContact CE2-CG1 4.27Å; Y285-A421 HydrophobicContact CD1-CB 4.43Å
286T65.2Low75.5Confident11 Ų1139.9 Ų39.97%0.06721%0.205CC..THydrogen-bonded Turntrans-81.77.5178.152.80000113.7F284 P290 S376 I380 A421F284-T286 PolarHBondContact O-N 3.01Å; T286-P290 WeakPolarHBondContact OG1-CG 3.43Å; T286-S376 PolarHBondContact OG1-OG 3.08Å; T286-I380 HydrophobicContact CG2-CD1 4.36Å; T286-I380 HydrophobicContact CG2-CG1 3.46Å; T286-I380 VanDerWaalsContact CG2-CG1 3.46Å; T286-A421 HydrophobicContact CG2-CB 4.15Å
287S70.1Confident75.7Confident37 Ų3735.1 Ų35.126%0.25919%0.191SC..THydrogen-bonded Turntrans54.5-147.7-175.9-58.20000112.4F284 Y285 Q456F284-S287 PolarHBondContact O-N 3.47Å; F284-S287 VanDerWaalsContact O-N 3.09Å; Y285-S287 PolarHBondContact O-N 3.2Å; S287-Q456 VanDerWaalsContact CB-NE2 3.34Å; S287-Q456 PolarHBondContact OG-NE2 3.14Å; S287-Q456 VanDerWaalsContact OG-NE2 3.09Å
288N70.8Confident75.6Confident7 Ų732.4 Ų32.44%0.03718%0.177CC..THydrogen-bonded Turntrans-82.3-11.3-175.6-76.9-8.2000115.7P290 I291 I292 L449 T452N288-P290 VanDerWaalsContact C-CD 3.5Å; N288-I291 PolarHBondContact O-N 3.4Å; N288-I291 VanDerWaalsContact O-N 3.15Å; N288-I292 HydrophobicContact CB-CD1 4.28Å; N288-I292 WeakPolarHBondContact O-CG1 3.24Å; N288-I292 PolarHBondContact O-N 3.4Å; N288-L449 HydrophobicContact CB-CD2 3.59Å; N288-L449 PolarHBondContact ND2-O 3.18Å; N288-T452 VanDerWaalsContact CG-CG2 3.46Å; N288-T452 VanDerWaalsContact ND2-CB 3.3Å; N288-T452 WeakPolarHBondContact ND2-CB 3.45Å; N288-T452 WeakPolarHBondContact ND2-CG2 3.19Å; N288-T452 WeakPolarHBondContact OD1-CB 3.38Å; N288-T452 WeakPolarHBondContact OD1-CG2 3.46Å; N288-T452 PolarHBondContact OD1-OG1 2.93Å
289I71.8Confident75.2Confident60 Ų6028.3 Ų28.331%0.30815%0.152SC..Hα-helixtrans-61-39.1-168.4-59169.7000112.8I291 I292 L293 W379I289-I291 VanDerWaalsContact C-N 3.31Å; I289-I291 PolarHBondContact O-N 3.5Å; I289-I292 PolarHBondContact O-N 3.05Å; I289-I292 VanDerWaalsContact O-N 3.15Å; I289-L293 HydrophobicContact CG2-CD1 3.92Å; I289-L293 HydrophobicContact CG2-CG 4.11Å; I289-L293 WeakPolarHBondContact O-CG 3.31Å; I289-L293 PolarHBondContact O-N 3.4Å; I289-W379 HydrophobicContact CB-CZ2 4.4Å; I289-W379 HydrophobicContact CD1-CZ2 3.71Å; I289-W379 HydrophobicContact CG2-CD2 3.84Å; I289-W379 HydrophobicContact CG2-CE3 4.14Å; I289-W379 HydrophobicContact CG2-CH2 3.91Å; I289-W379 HydrophobicContact CG2-CZ2 3.61Å; I289-W379 HydrophobicContact CG2-CZ3 4.16Å
290P69.4Low74.8Confident2 Ų229.1 Ų29.11%0.01316%0.161CC..Hα-helixtrans-60.7-36.2176.8-25.836.2000114T286 N288 Q294 F375T286-P290 WeakPolarHBondContact OG1-CG 3.43Å; N288-P290 VanDerWaalsContact C-CD 3.5Å; P290-Q294 VanDerWaalsContact O-CB 3.24Å; P290-Q294 WeakPolarHBondContact O-CB 3.33Å; P290-Q294 PolarHBondContact O-N 2.9Å; P290-F375 HydrophobicContact CB-CB 4.13Å
291I74.4Confident74.5Confident2 Ų229.1 Ų29.11%0.0116%0.158CC..Hα-helixtrans-66.2-46174.6-52.2172.3000109.8N288 I289 L293 Q294 S295 I428 T445 L448 L449N288-I291 PolarHBondContact O-N 3.4Å; N288-I291 VanDerWaalsContact O-N 3.15Å; I289-I291 VanDerWaalsContact C-N 3.31Å; I289-I291 PolarHBondContact O-N 3.5Å; I291-L293 VanDerWaalsContact C-N 3.28Å; I291-L293 PolarHBondContact O-N 3.34Å; I291-Q294 PolarHBondContact O-N 3.09Å; I291-S295 VanDerWaalsContact O-CB 3.24Å; I291-S295 WeakPolarHBondContact O-CB 3.38Å; I291-S295 PolarHBondContact O-N 3.28Å; I291-I428 HydrophobicContact CD1-CB 4.4Å; I291-I428 HydrophobicContact CD1-CG2 3.03Å; I291-I428 HydrophobicContact CG1-CG2 3.09Å; I291-T445 HydrophobicContact CG2-CG2 4.18Å; I291-L448 HydrophobicContact CD1-CB 4.42Å; I291-L449 HydrophobicContact CB-CD2 4.3Å; I291-L449 HydrophobicContact CD1-CD2 4.31Å; I291-L449 HydrophobicContact CG2-CD2 4.47Å
292I77.8Confident74Confident37 Ų3729.4 Ų29.419%0.1916%0.159CC..Hα-helixtrans-59.2-45.5-179-62.3171.4000109.4I68 N288 I289 A296 L449I68-I292 HydrophobicContact CG2-CG2 4.37Å; N288-I292 HydrophobicContact CB-CD1 4.28Å; N288-I292 WeakPolarHBondContact O-CG1 3.24Å; N288-I292 PolarHBondContact O-N 3.4Å; I289-I292 PolarHBondContact O-N 3.05Å; I289-I292 VanDerWaalsContact O-N 3.15Å; I292-A296 WeakPolarHBondContact O-CB 3.48Å; I292-A296 PolarHBondContact O-N 2.93Å; I292-L449 HydrophobicContact CD1-CD2 4.02Å; I292-L449 HydrophobicContact CG1-CD1 4.06Å; I292-L449 HydrophobicContact CG1-CD2 3.55Å; I292-L449 HydrophobicContact CG1-CG 4.48Å
293L76.3Confident73.5Confident35 Ų3527.7 Ų27.718%0.18315%0.153CC..Hα-helixtrans-63.5-47.1177.3-73.8173.7000112.6L89 I289 I291 A296 L297 W379L89-L293 HydrophobicContact CD2-CD2 3.33Å; I289-L293 HydrophobicContact CG2-CD1 3.92Å; I289-L293 HydrophobicContact CG2-CG 4.11Å; I289-L293 WeakPolarHBondContact O-CG 3.31Å; I289-L293 PolarHBondContact O-N 3.4Å; I291-L293 VanDerWaalsContact C-N 3.28Å; I291-L293 PolarHBondContact O-N 3.34Å; L293-A296 PolarHBondContact O-N 3.15Å; L293-L297 WeakPolarHBondContact O-CB 3.36Å; L293-L297 PolarHBondContact O-N 3.32Å; L293-W379 HydrophobicContact CD1-CD2 4.35Å; L293-W379 HydrophobicContact CD1-CE3 3.59Å; L293-W379 HydrophobicContact CD1-CZ3 3.86Å
294Q81.1Confident73.2Confident6 Ų630.8 Ų30.83%0.02817%0.169CC..Hα-helixtrans-62.1-48.7179.5-174.2-76.8-30.600110.7P290 I291 A296 L297 V298 M368 S371 F375P290-Q294 VanDerWaalsContact O-CB 3.24Å; P290-Q294 WeakPolarHBondContact O-CB 3.33Å; P290-Q294 PolarHBondContact O-N 2.9Å; I291-Q294 PolarHBondContact O-N 3.09Å; Q294-A296 VanDerWaalsContact C-N 3.34Å; Q294-A296 PolarHBondContact O-N 3.46Å; Q294-L297 WeakPolarHBondContact O-CB 3.33Å; Q294-L297 PolarHBondContact O-N 3.27Å; Q294-V298 WeakPolarHBondContact O-CG2 3.42Å; Q294-V298 PolarHBondContact O-N 2.9Å; Q294-M368 VanDerWaalsContact CD-SD 3.52Å; Q294-M368 PolarHBondContact NE2-SD 3.48Å; Q294-S371 VanDerWaalsContact CG-OG 3.26Å; Q294-S371 WeakPolarHBondContact CG-OG 3.49Å; Q294-F375 HydrophobicContact CB-CD2 4.04Å; Q294-F375 HydrophobicContact CB-CE2 4.36Å; Q294-F375 HydrophobicContact CG-CD2 4.44Å
295S76.2Confident73Confident16 Ų1630.5 Ų30.511%0.11217%0.168CC..Hα-helixtrans-66.9-36.5-179.5-167.10000111.5I68 I291 V298 S299I68-S295 WeakPolarHBondContact CD1-OG 3.26Å; I291-S295 VanDerWaalsContact O-CB 3.24Å; I291-S295 WeakPolarHBondContact O-CB 3.38Å; I291-S295 PolarHBondContact O-N 3.28Å; S295-V298 PolarHBondContact O-N 2.83Å; S295-S299 WeakPolarHBondContact O-CB 3.23Å; S295-S299 PolarHBondContact O-N 2.96Å; S295-S299 PolarHBondContact O-OG 3.14Å; S295-S299 VanDerWaalsContact O-OG 3.05Å
296A75.1Confident73.2Confident33 Ų3330 Ų3027%0.27317%0.167SC..Hα-helixtrans-65.5-40.4173.300000112I292 L293 Q294 S299 N300I292-A296 WeakPolarHBondContact O-CB 3.48Å; I292-A296 PolarHBondContact O-N 2.93Å; L293-A296 PolarHBondContact O-N 3.15Å; Q294-A296 VanDerWaalsContact C-N 3.34Å; Q294-A296 PolarHBondContact O-N 3.46Å; A296-S299 PolarHBondContact O-N 2.7Å; A296-N300 WeakPolarHBondContact O-CB 3.28Å; A296-N300 PolarHBondContact O-N 2.87Å; A296-N300 PolarHBondContact O-ND2 2.94Å
297L77.1Confident73.4Confident77 Ų7733.7 Ų33.740%0.40318%0.184SC..Hα-helixtrans-61.7-47175.7-176.7153.7000111.2L293 Q294 N300 L301 F375L293-L297 WeakPolarHBondContact O-CB 3.36Å; L293-L297 PolarHBondContact O-N 3.32Å; Q294-L297 WeakPolarHBondContact O-CB 3.33Å; Q294-L297 PolarHBondContact O-N 3.27Å; L297-N300 PolarHBondContact O-N 3.23Å; L297-L301 WeakPolarHBondContact O-CB 3.21Å; L297-L301 PolarHBondContact O-N 3.42Å; L297-F375 HydrophobicContact CD1-CE2 4.27Å; L297-F375 HydrophobicContact CD1-CZ 3.72Å
298V77.1Confident73.4Confident14 Ų1434.8 Ų34.89%0.08519%0.187CC..Hα-helixtrans-63.5-45.7178.1171.40000111.2Q294 S295 N300 L301 Y302 L345 F367Q294-V298 WeakPolarHBondContact O-CG2 3.42Å; Q294-V298 PolarHBondContact O-N 2.9Å; S295-V298 PolarHBondContact O-N 2.83Å; V298-N300 PolarHBondContact O-N 3.39Å; V298-L301 WeakPolarHBondContact O-CB 3.26Å; V298-L301 PolarHBondContact O-N 2.8Å; V298-Y302 HydrophobicContact CG1-CD2 3.87Å; V298-Y302 HydrophobicContact CG1-CE2 3.23Å; V298-Y302 WeakPolarHBondContact O-CD2 3.18Å; V298-Y302 PolarHBondContact O-N 2.78Å; V298-L345 HydrophobicContact CG2-CD2 4.39Å; V298-F367 HydrophobicContact CG2-CE1 3.94Å; V298-F367 HydrophobicContact CG2-CZ 4.4Å
299S73.8Confident73.2Confident6 Ų635.4 Ų35.44%0.04219%0.192CC..Hα-helixtrans-60.7-43176.7-68.30000112.5S295 A296 L301 Y302 V303S295-S299 WeakPolarHBondContact O-CB 3.23Å; S295-S299 PolarHBondContact O-N 2.96Å; S295-S299 PolarHBondContact O-OG 3.14Å; S295-S299 VanDerWaalsContact O-OG 3.05Å; A296-S299 PolarHBondContact O-N 2.7Å; S299-L301 VanDerWaalsContact C-N 3.33Å; S299-L301 PolarHBondContact O-N 2.86Å; S299-Y302 PolarHBondContact O-N 2.84Å; S299-V303 WeakPolarHBondContact O-CG2 3.22Å; S299-V303 PolarHBondContact O-N 3.45Å
300N74.3Confident73Confident85 Ų8537.5 Ų37.546%0.45521%0.207SC..Hα-helixtrans-63.9-40.4176.1-73.5-27.6000111.7A296 L297 V298 Y302 V303 I304A296-N300 WeakPolarHBondContact O-CB 3.28Å; A296-N300 PolarHBondContact O-N 2.87Å; A296-N300 PolarHBondContact O-ND2 2.94Å; L297-N300 PolarHBondContact O-N 3.23Å; V298-N300 PolarHBondContact O-N 3.39Å; N300-Y302 VanDerWaalsContact C-N 3.32Å; N300-Y302 PolarHBondContact O-N 3.19Å; N300-V303 PolarHBondContact O-N 2.86Å; N300-I304 WeakPolarHBondContact O-CB 2.89Å; N300-I304 VanDerWaalsContact O-CG1 3.25Å; N300-I304 WeakPolarHBondContact O-CG1 3.43Å; N300-I304 PolarHBondContact O-N 3.31Å
301L74Confident72.9Confident51 Ų5146.9 Ų46.927%0.26724%0.243SC..Hα-helixtrans-62.1-41.1176.3-168.5155.4000111L297 V298 S299 I304 S305 C342 L345L297-L301 WeakPolarHBondContact O-CB 3.21Å; L297-L301 PolarHBondContact O-N 3.42Å; V298-L301 WeakPolarHBondContact O-CB 3.26Å; V298-L301 PolarHBondContact O-N 2.8Å; S299-L301 VanDerWaalsContact C-N 3.33Å; S299-L301 PolarHBondContact O-N 2.86Å; L301-I304 PolarHBondContact O-N 3.25Å; L301-S305 WeakPolarHBondContact O-CB 3.49Å; L301-S305 PolarHBondContact O-N 3.29Å; L301-C342 WeakPolarHBondContact CD2-SG 3.25Å; L301-L345 HydrophobicContact CD1-CD2 3.94Å; L301-L345 HydrophobicContact CD2-CD2 4.28Å
302Y72.5Confident72.5Confident9 Ų952.5 Ų52.54%0.03527%0.267CS..Hα-helixtrans-61.9-48.1174.8-73.3-40.7000113.4V298 S299 N300 I304 S305 Q306 W324 C342 L345 S346V298-Y302 HydrophobicContact CG1-CD2 3.87Å; V298-Y302 HydrophobicContact CG1-CE2 3.23Å; V298-Y302 WeakPolarHBondContact O-CD2 3.18Å; V298-Y302 PolarHBondContact O-N 2.78Å; S299-Y302 PolarHBondContact O-N 2.84Å; N300-Y302 VanDerWaalsContact C-N 3.32Å; N300-Y302 PolarHBondContact O-N 3.19Å; Y302-I304 VanDerWaalsContact C-N 3.32Å; Y302-I304 PolarHBondContact O-N 3.03Å; Y302-S305 PolarHBondContact O-N 3.44Å; Y302-Q306 WeakPolarHBondContact O-CB 3.42Å; Y302-Q306 PolarHBondContact O-N 3.33Å; Y302-W324 AromaticContact CD1-CH2 3.71Å; Y302-W324 HydrophobicContact CD1-CH2 3.71Å; Y302-W324 AromaticContact CD1-CZ2 3.75Å; Y302-W324 HydrophobicContact CD1-CZ2 3.75Å; Y302-W324 AromaticContact CG-CH2 3.97Å; Y302-W324 HydrophobicContact CG-CH2 3.97Å; Y302-W324 HydrophobicContact CG-CZ2 4.25Å; Y302-W324 WeakPolarHBondContact O-CZ2 3.22Å; Y302-C342 HydrophobicContact CD1-CB 3.96Å; Y302-C342 HydrophobicContact CE1-CB 3.82Å; Y302-C342 WeakPolarHBondContact CE1-O 3.24Å; Y302-L345 HydrophobicContact CE1-CB 4.47Å; Y302-L345 WeakPolarHBondContact OH-CB 3.15Å; Y302-L345 PolarHBondContact OH-O 2.89Å; Y302-S346 WeakPolarHBondContact OH-CA 3.31Å; Y302-S346 WeakPolarHBondContact OH-CB 3.5Å; Y302-S346 PolarHBondContact OH-N 3.18Å
303V69.6Low71.6Confident19 Ų1955.8 Ų55.812%0.11529%0.293CS..Hα-helixtrans-59.4-46.6179171.30000110.4F62 S299 N300 S305 Q306 M307F62-V303 HydrophobicContact CD1-CG1 4.43Å; F62-V303 HydrophobicContact CD1-CG2 3.54Å; F62-V303 HydrophobicContact CE1-CB 4.19Å; F62-V303 HydrophobicContact CE1-CG1 3.56Å; F62-V303 HydrophobicContact CE1-CG2 3.5Å; F62-V303 VanDerWaalsContact CE1-CG2 3.5Å; F62-V303 HydrophobicContact CZ-CG1 4.12Å; S299-V303 WeakPolarHBondContact O-CG2 3.22Å; S299-V303 PolarHBondContact O-N 3.45Å; N300-V303 PolarHBondContact O-N 2.86Å; V303-S305 VanDerWaalsContact C-N 3.33Å; V303-S305 PolarHBondContact O-N 2.95Å; V303-Q306 PolarHBondContact O-N 3.43Å; V303-M307 HydrophobicContact CG1-CE 3.89Å; V303-M307 HydrophobicContact CG1-CG 4.49Å; V303-M307 HydrophobicContact CG1-SD 4.3Å; V303-M307 WeakPolarHBondContact O-CB 3.42Å; V303-M307 WeakPolarHBondContact O-CG 3.45Å; V303-M307 PolarHBondContact O-N 2.81Å
304I72.4Confident70.9Confident94 Ų9457 Ų5748%0.48231%0.314SS..Hα-helixtrans-59.6-48.2177.1-68.9168.2000109.5N300 L301 Y302 Q306 M307 L308N300-I304 WeakPolarHBondContact O-CB 2.89Å; N300-I304 VanDerWaalsContact O-CG1 3.25Å; N300-I304 WeakPolarHBondContact O-CG1 3.43Å; N300-I304 PolarHBondContact O-N 3.31Å; L301-I304 PolarHBondContact O-N 3.25Å; Y302-I304 VanDerWaalsContact C-N 3.32Å; Y302-I304 PolarHBondContact O-N 3.03Å; I304-Q306 PolarHBondContact O-N 3.28Å; I304-M307 PolarHBondContact O-N 3.39Å; I304-L308 HydrophobicContact CG2-CD1 3.83Å; I304-L308 WeakPolarHBondContact O-CB 3.39Å; I304-L308 WeakPolarHBondContact O-CD1 3.17Å; I304-L308 PolarHBondContact O-N 2.89Å
305S70.9Confident70.5Confident1 Ų161 Ų611%0.00734%0.336CS..Hα-helixtrans-60.5-43.2179.11770000112.5L301 Y302 V303 L308 S309 W324 C342L301-S305 WeakPolarHBondContact O-CB 3.49Å; L301-S305 PolarHBondContact O-N 3.29Å; Y302-S305 PolarHBondContact O-N 3.44Å; V303-S305 VanDerWaalsContact C-N 3.33Å; V303-S305 PolarHBondContact O-N 2.95Å; S305-L308 PolarHBondContact O-N 2.83Å; S305-S309 WeakPolarHBondContact O-CB 3.19Å; S305-S309 PolarHBondContact O-N 3.04Å; S305-S309 PolarHBondContact O-OG 3.24Å; S305-W324 PolarHBondContact OG-NE1 2.86Å; S305-C342 WeakPolarHBondContact CB-SG 3.37Å; S305-C342 PolarHBondContact OG-SG 3.07Å
306Q68Low70.1Confident27 Ų2768.2 Ų68.213%0.12637%0.366CS..Hα-helixtrans-67.3-40179.1-169.6-176.87.200112P61 Y302 V303 I304 S309 T310 W324P61-Q306 PolarHBondContact O-OE1 3.26Å; Y302-Q306 WeakPolarHBondContact O-CB 3.42Å; Y302-Q306 PolarHBondContact O-N 3.33Å; V303-Q306 PolarHBondContact O-N 3.43Å; I304-Q306 PolarHBondContact O-N 3.28Å; Q306-S309 PolarHBondContact O-N 3.08Å; Q306-S309 PolarHBondContact O-OG 3.16Å; Q306-T310 WeakPolarHBondContact O-CB 3.45Å; Q306-T310 VanDerWaalsContact O-CG2 3.31Å; Q306-T310 WeakPolarHBondContact O-CG2 3.24Å; Q306-T310 PolarHBondContact O-N 2.92Å; Q306-T310 VanDerWaalsContact O-N 3.09Å; Q306-T310 PolarHBondContact O-OG1 3.35Å; Q306-W324 HydrophobicContact CB-CD2 4.18Å; Q306-W324 HydrophobicContact CB-CZ2 4.15Å; Q306-W324 HydrophobicContact CG-CD2 4.24Å; Q306-W324 HydrophobicContact CG-CG 4.46Å
307M69.4Low69.6Low89 Ų8972.7 Ų72.744%0.43838%0.384SS..Hα-helixtrans-68-35.7174.8-72.7-169.4-179.200112.3F62 V303 I304 T310 R311F62-M307 HydrophobicContact CZ-CE 4.24Å; V303-M307 HydrophobicContact CG1-CE 3.89Å; V303-M307 HydrophobicContact CG1-CG 4.49Å; V303-M307 HydrophobicContact CG1-SD 4.3Å; V303-M307 WeakPolarHBondContact O-CB 3.42Å; V303-M307 WeakPolarHBondContact O-CG 3.45Å; V303-M307 PolarHBondContact O-N 2.81Å; I304-M307 PolarHBondContact O-N 3.39Å; M307-T310 WeakPolarHBondContact CA-OG1 3.16Å; M307-T310 PolarHBondContact O-OG1 3.02Å; M307-R311 WeakPolarHBondContact O-CG 3.32Å; M307-R311 PolarHBondContact O-N 3.2Å
308L70.3Confident69.1Low61 Ų6169.5 Ų69.532%0.31937%0.368SS..Hα-helixtrans-71.9-39.6175.8-93.369.7000111.5I304 S305 T310 R311 F312 V318I304-L308 HydrophobicContact CG2-CD1 3.83Å; I304-L308 WeakPolarHBondContact O-CB 3.39Å; I304-L308 WeakPolarHBondContact O-CD1 3.17Å; I304-L308 PolarHBondContact O-N 2.89Å; S305-L308 PolarHBondContact O-N 2.83Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-T310 PolarHBondContact O-N 3.36Å; L308-R311 PolarHBondContact O-N 3.35Å; L308-F312 WeakPolarHBondContact O-CA 3.37Å; L308-F312 PolarHBondContact O-N 2.83Å; L308-V318 HydrophobicContact CB-CG1 4.38Å
309S65.7Low68.6Low20 Ų2072.7 Ų72.714%0.1438%0.384CS..Hα-helixtrans-67.4-34.8178.969.60000112.3S305 Q306S305-S309 WeakPolarHBondContact O-CB 3.19Å; S305-S309 PolarHBondContact O-N 3.04Å; S305-S309 PolarHBondContact O-OG 3.24Å; Q306-S309 PolarHBondContact O-N 3.08Å; Q306-S309 PolarHBondContact O-OG 3.16Å
310T68Low68.3Low103 Ų10376.6 Ų76.663%0.63240%0.404SS*.Hα-helixtrans-72.9-35.2176.547.20000113Q306 M307 L308Q306-T310 WeakPolarHBondContact O-CB 3.45Å; Q306-T310 VanDerWaalsContact O-CG2 3.31Å; Q306-T310 WeakPolarHBondContact O-CG2 3.24Å; Q306-T310 PolarHBondContact O-N 2.92Å; Q306-T310 VanDerWaalsContact O-N 3.09Å; Q306-T310 PolarHBondContact O-OG1 3.35Å; M307-T310 WeakPolarHBondContact CA-OG1 3.16Å; M307-T310 PolarHBondContact O-OG1 3.02Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-T310 PolarHBondContact O-N 3.36Å
311R67.9Low67.9Low199 Ų19975.1 Ų75.175%0.75140%0.396SS*.Hα-helixtrans-89.5-30.1-179.9-67.9-171.1-169.6-1353.5115M307 L308M307-R311 WeakPolarHBondContact O-CG 3.32Å; M307-R311 PolarHBondContact O-N 3.2Å; L308-R311 PolarHBondContact O-N 3.35Å
312F65.9Low67.5Low120 Ų12072.7 Ų72.753%0.52638%0.384SS..  trans-132.551.7-171.9-64.3-76.2000112.3L308 G314 V318L308-F312 WeakPolarHBondContact O-CA 3.37Å; L308-F312 PolarHBondContact O-N 2.83Å; F312-G314 PolarHBondContact O-N 3.33Å; F312-G314 VanDerWaalsContact O-N 3.15Å; F312-V318 HydrophobicContact CB-CG2 4.09Å
313S58.2Low67.1Low106 Ų10674.7 Ų74.774%0.74140%0.397SS*.THydrogen-bonded Turntrans-63.2113.6172.150.20000110
314G62Low67.1Low60 Ų6075.8 Ų75.862%0.61940%0.399SS*.THydrogen-bonded Turntrans128.6-13.917700000116.6F312F312-G314 PolarHBondContact O-N 3.33Å; F312-G314 VanDerWaalsContact O-N 3.15Å
315N71.8Confident66.4Low92 Ų9273.3 Ų73.349%0.49239%0.39SS..  trans-78.2133.8174.6-81-17.8000111.4L317 V318 N319N315-L317 PolarHBondContact O-N 3.49Å; N315-V318 HydrophobicContact CB-CB 4.12Å; N315-V318 HydrophobicContact CB-CG2 3.77Å; N315-V318 PolarHBondContact O-N 2.87Å; N315-N319 PolarHBondContact O-N 3.45Å
316F67.2Low65.6Low167 Ų16778.7 Ų78.773%0.73242%0.419SS*.Hα-helixtrans-52.5-40.9176.4178.2-98.9000112.5V318 N319 L320F316-V318 PolarHBondContact O-N 2.9Å; F316-N319 PolarHBondContact O-N 3.39Å; F316-L320 WeakPolarHBondContact O-CB 3.05Å; F316-L320 PolarHBondContact O-N 2.95Å
317L65.1Low64.4Low127 Ų12781.3 Ų81.367%0.66544%0.437SS*.Hα-helixtrans-65.2-35176.7-76.9156000113.1N315 L321N315-L317 PolarHBondContact O-N 3.49Å; L317-L321 WeakPolarHBondContact O-CB 3.34Å; L317-L321 PolarHBondContact O-N 3.24Å
318V67.5Low63Low10 Ų1082.7 Ų82.76%0.06146%0.455CS..Hα-helixtrans-75.9-40.7-180177.50000110.2L308 F312 N315 F316 L320 L321 G322L308-V318 HydrophobicContact CB-CG1 4.38Å; F312-V318 HydrophobicContact CB-CG2 4.09Å; N315-V318 HydrophobicContact CB-CB 4.12Å; N315-V318 HydrophobicContact CB-CG2 3.77Å; N315-V318 PolarHBondContact O-N 2.87Å; F316-V318 PolarHBondContact O-N 2.9Å; V318-L320 VanDerWaalsContact C-N 3.31Å; V318-L320 PolarHBondContact O-N 2.91Å; V318-L321 PolarHBondContact O-N 3.48Å; V318-G322 PolarHBondContact O-N 3.43Å
319N66.2Low61.2Low80 Ų8085.4 Ų85.443%0.42847%0.474SS..Hα-helixtrans-66.4-32.4173.1-74.1-1.6000112.4N315 F316 T323N315-N319 PolarHBondContact O-N 3.45Å; F316-N319 PolarHBondContact O-N 3.39Å; N319-T323 HydrophobicContact CB-CG2 4.13Å
320L67.7Low59.8Low88 Ų8888 Ų8846%0.46150%0.504SS..Hα-helixtrans-69.4-37.3172.5-173.268000111.9F316 V318 G340 L341F316-L320 WeakPolarHBondContact O-CB 3.05Å; F316-L320 PolarHBondContact O-N 2.95Å; V318-L320 VanDerWaalsContact C-N 3.31Å; V318-L320 PolarHBondContact O-N 2.91Å; L320-G340 CarbonylContact O-C 3.55Å; L320-G340 WeakPolarHBondContact O-CA 3.32Å; L320-L341 WeakPolarHBondContact O-CG 3.4Å; L320-L341 PolarHBondContact O-N 3.02Å
321L66.4Low58.3Low54 Ų5485.6 Ų85.628%0.28350%0.5SS..Hα-helixtrans-67.9-49.6177.4-112.7135.9000111.7L317 V318 L341 C342L317-L321 WeakPolarHBondContact O-CB 3.34Å; L317-L321 PolarHBondContact O-N 3.24Å; V318-L321 PolarHBondContact O-N 3.48Å; L321-L341 PolarHBondContact O-N 3.01Å; L321-C342 WeakPolarHBondContact O-CB 3.41Å; L321-C342 PolarHBondContact O-N 2.7Å; L321-C342 PolarHBondContact O-SG 3.24Å
322G64.4Low56.9Low0 Ų081.2 Ų81.20%050%0.497CS..  trans174.3125.8177.700000113.3V318 G339V318-G322 PolarHBondContact O-N 3.43Å; G322-G339 CarbonylContact C-O 3.6Å; G322-G339 VanDerWaalsContact CA-O 3.24Å; G322-G339 WeakPolarHBondContact CA-O 3.43Å
323T64.9Low55.6Low51 Ų5178.4 Ų78.431%0.31350%0.496SS..EExtended strand (participates in β ladder)trans-95.4114.7166.452.50000108.7N319 V338 G339N319-T323 HydrophobicContact CB-CG2 4.13Å; T323-V338 PolarHBondContact O-N 3.38Å; T323-G339 PolarHBondContact N-O 3.38Å; T323-G339 PolarHBondContact O-N 2.96Å; T323-G339 VanDerWaalsContact OG1-CA 3.31Å; T323-G339 WeakPolarHBondContact OG1-CA 3.47Å; T323-G339 PolarHBondContact OG1-N 3.1Å
324W68.4Low55.3Low43 Ų4377.6 Ų77.616%0.16348%0.477CS..EExtended strand (participates in β ladder)trans-92.5135.6177.4-63.277.7000109.2Y302 S305 Q306 A335 Y336 P337 C342Y302-W324 AromaticContact CD1-CH2 3.71Å; Y302-W324 HydrophobicContact CD1-CH2 3.71Å; Y302-W324 AromaticContact CD1-CZ2 3.75Å; Y302-W324 HydrophobicContact CD1-CZ2 3.75Å; Y302-W324 AromaticContact CG-CH2 3.97Å; Y302-W324 HydrophobicContact CG-CH2 3.97Å; Y302-W324 HydrophobicContact CG-CZ2 4.25Å; Y302-W324 WeakPolarHBondContact O-CZ2 3.22Å; S305-W324 PolarHBondContact OG-NE1 2.86Å; Q306-W324 HydrophobicContact CB-CD2 4.18Å; Q306-W324 HydrophobicContact CB-CZ2 4.15Å; Q306-W324 HydrophobicContact CG-CD2 4.24Å; Q306-W324 HydrophobicContact CG-CG 4.46Å; W324-A335 HydrophobicContact CE3-CB 3.93Å; W324-A335 WeakPolarHBondContact CZ3-O 3.21Å; W324-Y336 WeakPolarHBondContact CA-O 3.45Å; W324-P337 HydrophobicContact CD2-CB 4.36Å; W324-P337 HydrophobicContact CE3-CB 4.35Å; W324-P337 HydrophobicContact CH2-CB 4.47Å; W324-P337 HydrophobicContact CH2-CG 4.39Å; W324-P337 HydrophobicContact CZ2-CB 4.47Å; W324-P337 HydrophobicContact CZ3-CB 4.41Å; W324-P337 HydrophobicContact CZ3-CG 4.31Å; W324-C342 HydrophobicContact CZ2-CB 4.49Å
325S57.9Low54.9Low42 Ų4275.6 Ų75.629%0.29446%0.455SS..EExtended strand (participates in β ladder)trans-126.3135169.696.20000110T327 Y336 V338S325-T327 PolarHBondContact O-N 3.39Å; S325-T327 PolarHBondContact OG-OG1 3.5Å; S325-Y336 PolarHBondContact N-O 3.22Å; S325-Y336 PolarHBondContact O-N 3.5Å; S325-V338 WeakPolarHBondContact OG-CG2 3.24Å
326D53.9Low54.4Low114 Ų11474.3 Ų74.361%0.6144%0.443SS*.EExtended strand (participates in β ladder)trans-84.194171.9-64.6-34.9000108S328 A335D326-S328 PolarHBondContact O-N 2.85Å; D326-A335 WeakPolarHBondContact OD1-CA 3.49Å; D326-A335 VanDerWaalsContact OD1-CB 3.29Å; D326-A335 WeakPolarHBondContact OD1-CB 3.44Å
327T44.4Very low54.1Low82 Ų8266.9 Ų66.950%0.50341%0.412SS..  trans-82.898.6170.4-59.10000108.5S325 T329S325-T327 PolarHBondContact O-N 3.39Å; S325-T327 PolarHBondContact OG-OG1 3.5Å; T327-T329 VanDerWaalsContact CG2-OG1 3.31Å; T327-T329 WeakPolarHBondContact CG2-OG1 3.48Å; T327-T329 PolarHBondContact O-N 2.99Å
328S38.8Very low54Low117 Ų11765 Ų6582%0.81841%0.406SS*.  trans-7653.2176.4500000112.9D326D326-S328 PolarHBondContact O-N 2.85Å
329T33Very low53.6Low118 Ų11865.4 Ų65.472%0.72441%0.411SS*.SBendtrans-109.989.7170.142.60000111.5T327 G331T327-T329 VanDerWaalsContact CG2-OG1 3.31Å; T327-T329 WeakPolarHBondContact CG2-OG1 3.48Å; T327-T329 PolarHBondContact O-N 2.99Å; T329-G331 PolarHBondContact O-N 3Å
330G36.7Very low53.9Low75 Ų7562.6 Ų62.677%0.77340%0.402SS*.SBendtrans82.412148.400000119.1
331G36.9Very low54.1Low53 Ų5362.8 Ų62.855%0.54640%0.403SS..SBendtrans-142.7170.3171.300000111.3T329 A333T329-G331 PolarHBondContact O-N 3Å; G331-A333 PolarHBondContact O-N 3.41Å
332P37.2Very low54.2Low106 Ų10660.2 Ų60.269%0.68839%0.389SS*.SBendtrans-52.2136.6179.321-30.9000109.9R334P332-R334 WeakPolarHBondContact O-CG 3.21Å; P332-R334 PolarHBondContact O-N 2.94Å
333A38.3Very low54.6Low62 Ų6263.3 Ų63.351%0.51240%0.401SS..  trans-48100.9-172.100000111.8A59 G331A59-A333 HydrophobicContact CB-CB 3.97Å; G331-A333 PolarHBondContact O-N 3.41Å
334R53.2Low55.2Low88 Ų8865 Ų6533%0.33240%0.403SS..  trans-110.1117.2177.3-78.4176.4-178.4-171.7-2.9108.2Y63 P332 Y336Y63-R334 PolarHBondContact OH-NH2 3.25Å; Y63-R334 VanDerWaalsContact OH-NH2 3.08Å; P332-R334 WeakPolarHBondContact O-CG 3.21Å; P332-R334 PolarHBondContact O-N 2.94Å; R334-Y336 HydrophobicContact CB-CD2 3.99Å; R334-Y336 HydrophobicContact CB-CE2 3.44Å; R334-Y336 VanDerWaalsContact CB-CE2 3.44Å; R334-Y336 VanDerWaalsContact CD-OH 3.29Å; R334-Y336 WeakPolarHBondContact CD-OH 3.45Å; R334-Y336 HydrophobicContact CG-CE2 4.39Å; R334-Y336 PolarHBondContact NH1-OH 3.39Å; R334-Y336 WeakPolarHBondContact O-CD2 3.25Å; R334-Y336 PolarHBondContact O-N 3.36Å
335A53.8Low55.4Low18 Ų1864 Ų6415%0.14940%0.4CS..EExtended strand (participates in β ladder)trans-74.4118167.900000107.8W324 D326W324-A335 HydrophobicContact CE3-CB 3.93Å; W324-A335 WeakPolarHBondContact CZ3-O 3.21Å; D326-A335 WeakPolarHBondContact OD1-CA 3.49Å; D326-A335 VanDerWaalsContact OD1-CB 3.29Å; D326-A335 WeakPolarHBondContact OD1-CB 3.44Å
336Y59.7Low56.1Low65 Ų6562.8 Ų62.826%0.25539%0.392SS..EExtended strand (participates in β ladder)trans-104.1137174.8-76.2-81.6000109.7W324 S325 R334 V338 E349W324-Y336 WeakPolarHBondContact CA-O 3.45Å; S325-Y336 PolarHBondContact N-O 3.22Å; S325-Y336 PolarHBondContact O-N 3.5Å; R334-Y336 HydrophobicContact CB-CD2 3.99Å; R334-Y336 HydrophobicContact CB-CE2 3.44Å; R334-Y336 VanDerWaalsContact CB-CE2 3.44Å; R334-Y336 VanDerWaalsContact CD-OH 3.29Å; R334-Y336 WeakPolarHBondContact CD-OH 3.45Å; R334-Y336 HydrophobicContact CG-CE2 4.39Å; R334-Y336 PolarHBondContact NH1-OH 3.39Å; R334-Y336 WeakPolarHBondContact O-CD2 3.25Å; R334-Y336 PolarHBondContact O-N 3.36Å; Y336-V338 PolarHBondContact O-N 3.23Å; Y336-E349 WeakPolarHBondContact CE1-OE1 3.28Å; Y336-E349 PolarHBondContact OH-OE1 3.17Å
337P61.9Low56.8Low12 Ų1258.6 Ų58.68%0.07837%0.371CS..EExtended strand (participates in β ladder)trans-69.3116.9168.329.3-30.1000107.7W324 C342 Y343W324-P337 HydrophobicContact CD2-CB 4.36Å; W324-P337 HydrophobicContact CE3-CB 4.35Å; W324-P337 HydrophobicContact CH2-CB 4.47Å; W324-P337 HydrophobicContact CH2-CG 4.39Å; W324-P337 HydrophobicContact CZ2-CB 4.47Å; W324-P337 HydrophobicContact CZ3-CB 4.41Å; W324-P337 HydrophobicContact CZ3-CG 4.31Å; P337-C342 HydrophobicContact CB-CB 4.1Å; P337-Y343 WeakPolarHBondContact O-CD2 3.41Å
338V61.7Low57.9Low88 Ų8855.1 Ų55.153%0.53335%0.35SS..EExtended strand (participates in β ladder)trans-97.1-8.6179.2-177.90000111.6T323 S325 Y336T323-V338 PolarHBondContact O-N 3.38Å; S325-V338 WeakPolarHBondContact OG-CG2 3.24Å; Y336-V338 PolarHBondContact O-N 3.23Å
339G60.9Low58.9Low17 Ų1754.8 Ų54.818%0.17534%0.335CS..EExtended strand (participates in β ladder)trans-166.1165.2177.300000113G322 T323G322-G339 CarbonylContact C-O 3.6Å; G322-G339 VanDerWaalsContact CA-O 3.24Å; G322-G339 WeakPolarHBondContact CA-O 3.43Å; T323-G339 PolarHBondContact N-O 3.38Å; T323-G339 PolarHBondContact O-N 2.96Å; T323-G339 VanDerWaalsContact OG1-CA 3.31Å; T323-G339 WeakPolarHBondContact OG1-CA 3.47Å; T323-G339 PolarHBondContact OG1-N 3.1Å
340G72.4Confident60.3Low22 Ų2251.5 Ų51.523%0.22732%0.317CS..SBendtrans95.2-174177.600000114.8L320 C342 Y343L320-G340 CarbonylContact O-C 3.55Å; L320-G340 WeakPolarHBondContact O-CA 3.32Å; G340-C342 PolarHBondContact O-N 3.11Å; G340-Y343 VanDerWaalsContact O-CB 3.27Å; G340-Y343 WeakPolarHBondContact O-CB 3.35Å; G340-Y343 PolarHBondContact O-N 3.24Å
341L71.1Confident61.4Low92 Ų9254.7 Ų54.748%0.48231%0.31SS..Hα-helixtrans-58.5-36.9177.2-72.7168.9000111.8L320 L321 Y343 Y344 L345L320-L341 WeakPolarHBondContact O-CG 3.4Å; L320-L341 PolarHBondContact O-N 3.02Å; L321-L341 PolarHBondContact O-N 3.01Å; L341-Y343 PolarHBondContact O-N 3.23Å; L341-Y344 PolarHBondContact O-N 3.11Å; L341-Y344 VanDerWaalsContact O-N 3.12Å; L341-L345 WeakPolarHBondContact O-CD1 3.4Å; L341-L345 PolarHBondContact O-N 3.41Å; L341-L345 VanDerWaalsContact O-N 3.11Å
342C69.4Low62.6Low0 Ų053.8 Ų53.80%030%0.301CS..Hα-helixtrans-63.2-28.1175.4-690000113.3L301 Y302 S305 L321 W324 P337 G340 S346L301-C342 WeakPolarHBondContact CD2-SG 3.25Å; Y302-C342 HydrophobicContact CD1-CB 3.96Å; Y302-C342 HydrophobicContact CE1-CB 3.82Å; Y302-C342 WeakPolarHBondContact CE1-O 3.24Å; S305-C342 WeakPolarHBondContact CB-SG 3.37Å; S305-C342 PolarHBondContact OG-SG 3.07Å; L321-C342 WeakPolarHBondContact O-CB 3.41Å; L321-C342 PolarHBondContact O-N 2.7Å; L321-C342 PolarHBondContact O-SG 3.24Å; W324-C342 HydrophobicContact CZ2-CB 4.49Å; P337-C342 HydrophobicContact CB-CB 4.1Å; G340-C342 PolarHBondContact O-N 3.11Å; C342-S346 WeakPolarHBondContact O-CB 3.43Å; C342-S346 PolarHBondContact O-N 3.38Å
343Y73Confident64Low65 Ų6551 Ų5126%0.25528%0.284SS..Hα-helixtrans-61.7-52.2171.5-177.8-113000109.1P337 G340 L341 L345 S346 D357 H360P337-Y343 WeakPolarHBondContact O-CD2 3.41Å; G340-Y343 VanDerWaalsContact O-CB 3.27Å; G340-Y343 WeakPolarHBondContact O-CB 3.35Å; G340-Y343 PolarHBondContact O-N 3.24Å; L341-Y343 PolarHBondContact O-N 3.23Å; Y343-L345 VanDerWaalsContact C-N 3.29Å; Y343-L345 PolarHBondContact O-N 3.36Å; Y343-S346 WeakPolarHBondContact O-CB 3.35Å; Y343-S346 PolarHBondContact O-N 2.87Å; Y343-S346 PolarHBondContact O-OG 3.39Å; Y343-D357 PolarHBondContact OH-OD2 2.9Å; Y343-H360 AromaticContact CD1-ND1 3.97Å; Y343-H360 HydrophobicContact CE1-CB 4.08Å; Y343-H360 AromaticContact CE1-CG 3.77Å; Y343-H360 AromaticContact CE1-ND1 3.99Å; Y343-H360 PolarHBondContact O-CE1 2.97Å
344Y76Confident65.4Low87 Ų8749.5 Ų49.534%0.34127%0.268SS..Hα-helixtrans-63.3-26.9-178.8-68.7-65.7000115.6L341 S346 H360 I363L341-Y344 PolarHBondContact O-N 3.11Å; L341-Y344 VanDerWaalsContact O-N 3.12Å; Y344-S346 VanDerWaalsContact C-N 3.3Å; Y344-H360 VanDerWaalsContact CA-CE1 3.47Å; Y344-H360 WeakPolarHBondContact CA-CE1 3.43Å; Y344-H360 WeakPolarHBondContact CA-ND1 3.48Å; Y344-H360 HydrophobicContact CD1-CB 4.47Å; Y344-H360 AromaticContact CD1-ND1 3.59Å; Y344-H360 HydrophobicContact CE1-CB 4.47Å; Y344-I363 HydrophobicContact CD1-CB 4.22Å; Y344-I363 HydrophobicContact CD1-CD1 3.66Å; Y344-I363 HydrophobicContact CD1-CG2 4.24Å; Y344-I363 HydrophobicContact CE1-CD1 3.65Å; Y344-I363 HydrophobicContact CG-CD1 4.39Å; Y344-I363 HydrophobicContact CG-CG2 4.35Å
345L73.6Confident66.3Low21 Ų2151.1 Ų51.111%0.1128%0.283CS..Hα-helixtrans-81.4-14176.1-85.575.3000112.2V298 L301 Y302 L341 Y343 Y364 F367V298-L345 HydrophobicContact CG2-CD2 4.39Å; L301-L345 HydrophobicContact CD1-CD2 3.94Å; L301-L345 HydrophobicContact CD2-CD2 4.28Å; Y302-L345 HydrophobicContact CE1-CB 4.47Å; Y302-L345 WeakPolarHBondContact OH-CB 3.15Å; Y302-L345 PolarHBondContact OH-O 2.89Å; L341-L345 WeakPolarHBondContact O-CD1 3.4Å; L341-L345 PolarHBondContact O-N 3.41Å; L341-L345 VanDerWaalsContact O-N 3.11Å; Y343-L345 VanDerWaalsContact C-N 3.29Å; Y343-L345 PolarHBondContact O-N 3.36Å; L345-Y364 WeakPolarHBondContact O-CE2 3.49Å; L345-F367 HydrophobicContact CD2-CE1 3.9Å; L345-F367 HydrophobicContact CD2-CE2 4.48Å; L345-F367 HydrophobicContact CD2-CZ 3.74Å; L345-F367 HydrophobicContact CG-CD1 4.19Å; L345-F367 HydrophobicContact CG-CE1 3.79Å; L345-F367 HydrophobicContact CG-CZ 3.99Å
346S71.8Confident67.3Low16 Ų1656.4 Ų56.411%0.11231%0.308CS..SBendtrans-85.2135.8-172.272.80000112.2Y302 C342 Y343 Y344 H360Y302-S346 WeakPolarHBondContact OH-CA 3.31Å; Y302-S346 WeakPolarHBondContact OH-CB 3.5Å; Y302-S346 PolarHBondContact OH-N 3.18Å; C342-S346 WeakPolarHBondContact O-CB 3.43Å; C342-S346 PolarHBondContact O-N 3.38Å; Y343-S346 WeakPolarHBondContact O-CB 3.35Å; Y343-S346 PolarHBondContact O-N 2.87Å; Y343-S346 PolarHBondContact O-OG 3.39Å; Y344-S346 VanDerWaalsContact C-N 3.3Å; S346-H360 PolarHBondContact O-CE1 3.48Å; S346-H360 VanDerWaalsContact O-CE1 3.27Å; S346-H360 PolarHBondContact O-NE2 3.02Å; S346-H360 VanDerWaalsContact O-NE2 3.09Å
347P69.9Low68.2Low27 Ų2756.9 Ų56.918%0.17532%0.316CS..PPolyproline II helixtrans-64.4132178.126.1-31.8000109.3W64 E349 Y364 D436W64-P347 HydrophobicContact CH2-CG 4.01Å; W64-P347 HydrophobicContact CZ3-CG 4.19Å; P347-E349 PolarHBondContact O-N 3.23Å; P347-Y364 HydrophobicContact CB-CE1 4.39Å; P347-Y364 HydrophobicContact CB-CE2 4.18Å; P347-D436 HydrophobicContact CB-CB 4.36Å
348P67.1Low69.1Low9 Ų960.2 Ų60.26%0.05834%0.337CS..PPolyproline II helixtrans-67.4131.3171.527.9-32.2000109.5S350 V354 F437P348-S350 VanDerWaalsContact C-N 3.31Å; P348-S350 PolarHBondContact O-N 2.87Å; P348-V354 HydrophobicContact CB-CG2 3.89Å; P348-V354 HydrophobicContact CG-CG2 3.7Å; P348-F437 HydrophobicContact CG-CD1 3.84Å; P348-F437 HydrophobicContact CG-CE1 3.39Å; P348-F437 HydrophobicContact CG-CZ 4.46Å
349E59.7Low70.1Confident109 Ų10961.8 Ų61.851%0.50934%0.341SS..SBendtrans-74.7-17.5-170.7-65.3-159.7140.500114.3Y336 P347Y336-E349 WeakPolarHBondContact CE1-OE1 3.28Å; Y336-E349 PolarHBondContact OH-OE1 3.17Å; P347-E349 PolarHBondContact O-N 3.23Å
350S61.1Low71Confident49 Ų4961.4 Ų61.434%0.34334%0.335SS..SBendtrans-152.8156.3-175.975.90000113.4P348 G352 S353 V354P348-S350 VanDerWaalsContact C-N 3.31Å; P348-S350 PolarHBondContact O-N 2.87Å; S350-G352 PolarHBondContact O-N 2.92Å; S350-G352 VanDerWaalsContact O-N 3.17Å; S350-G352 PolarHBondContact OG-N 3.08Å; S350-S353 WeakPolarHBondContact O-CB 3.45Å; S350-S353 PolarHBondContact O-N 3.49Å; S350-S353 PolarHBondContact OG-N 3.47Å; S350-S353 PolarHBondContact OG-OG 3.45Å; S350-V354 PolarHBondContact O-N 2.99Å
351F60.8Low71.4Confident142 Ų14260.6 Ų60.662%0.62333%0.326SS*.Hα-helixtrans-56.2-27.8170.8-164.7-96.7000112.8L355F351-L355 HydrophobicContact CD1-CD1 3.98Å; F351-L355 HydrophobicContact CE1-CD1 3.86Å; F351-L355 HydrophobicContact CE1-CG 4.45Å; F351-L355 PolarHBondContact O-N 3.33Å
352G62.6Low72.1Confident35 Ų3558.6 Ų58.636%0.36132%0.323SS..Hα-helixtrans-67.1-47.9173.400000112.1S350 V354 L355 D356S350-G352 PolarHBondContact O-N 2.92Å; S350-G352 VanDerWaalsContact O-N 3.17Å; S350-G352 PolarHBondContact OG-N 3.08Å; G352-V354 PolarHBondContact O-N 2.99Å; G352-L355 WeakPolarHBondContact O-CB 3.5Å; G352-L355 PolarHBondContact O-N 3.36Å; G352-D356 PolarHBondContact O-N 2.82Å; G352-D356 VanDerWaalsContact O-N 3.09Å
353S66.1Low72.9Confident48 Ų4862.1 Ų62.134%0.33634%0.341SS..Hα-helixtrans-62.6-29.2178.2-45.70000113.1S350 D357S350-S353 WeakPolarHBondContact O-CB 3.45Å; S350-S353 PolarHBondContact O-N 3.49Å; S350-S353 PolarHBondContact OG-N 3.47Å; S350-S353 PolarHBondContact OG-OG 3.45Å; S353-D357 PolarHBondContact O-N 2.77Å; S353-D357 VanDerWaalsContact O-N 3.14Å
354V68.3Low73.4Confident30 Ų3059.4 Ų59.418%0.18233%0.33CS..Hα-helixtrans-70.2-34.3174.6173.70000112.1P348 S350 G352 D357 A361 F437P348-V354 HydrophobicContact CB-CG2 3.89Å; P348-V354 HydrophobicContact CG-CG2 3.7Å; S350-V354 PolarHBondContact O-N 2.99Å; G352-V354 PolarHBondContact O-N 2.99Å; V354-D357 CarbonylContact O-C 3.54Å; V354-A361 HydrophobicContact CB-CB 4.45Å; V354-A361 HydrophobicContact CG1-CB 3.84Å; V354-A361 HydrophobicContact CG2-CB 4.3Å; V354-F437 HydrophobicContact CG2-CD1 4.11Å; V354-F437 HydrophobicContact CG2-CE1 4.15Å
355L71Confident73.9Confident121 Ų12157.9 Ų57.963%0.63433%0.328SS*.Hα-helixtrans-75.1-34.3177.3-75.6164.8000111.9F351 G352F351-L355 HydrophobicContact CD1-CD1 3.98Å; F351-L355 HydrophobicContact CE1-CD1 3.86Å; F351-L355 HydrophobicContact CE1-CG 4.45Å; F351-L355 PolarHBondContact O-N 3.33Å; G352-L355 WeakPolarHBondContact O-CB 3.5Å; G352-L355 PolarHBondContact O-N 3.36Å
356D76.1Confident74.7Confident129 Ų12961.9 Ų61.969%0.6935%0.352SS*.Hα-helixtrans-71.7-43.6179.1-64.9-28.6000111.4G352 P358G352-D356 PolarHBondContact O-N 2.82Å; G352-D356 VanDerWaalsContact O-N 3.09Å; D356-P358 WeakPolarHBondContact O-CD 3.42Å
357D77.1Confident75.4Confident76 Ų7664.3 Ų64.341%0.40636%0.361SS..  trans-123.177.8179.1-77.2-27.4000112.7Y343 S353 V354 I359 H360 A361Y343-D357 PolarHBondContact OH-OD2 2.9Å; S353-D357 PolarHBondContact O-N 2.77Å; S353-D357 VanDerWaalsContact O-N 3.14Å; V354-D357 CarbonylContact O-C 3.54Å; D357-I359 VanDerWaalsContact C-N 3.26Å; D357-I359 PolarHBondContact O-N 2.98Å; D357-H360 HydrophobicContact CB-CB 3.93Å; D357-H360 PolarHBondContact O-N 2.99Å; D357-A361 PolarHBondContact O-N 3.31Å
358P80.6Confident76.1Confident81 Ų8163.3 Ų63.353%0.52635%0.354SS..Hα-helixtrans-66.7-27-177.225.5-34.3000113.3D356 A362D356-P358 WeakPolarHBondContact O-CD 3.42Å; P358-A362 WeakPolarHBondContact O-CB 3.33Å; P358-A362 PolarHBondContact O-N 2.99Å
359I84.4Confident77.2Confident121 Ų12164.9 Ų64.962%0.62136%0.362SS*.Hα-helixtrans-69-41.4178.7-62.2172.8000110.4D357 A362 I363D357-I359 VanDerWaalsContact C-N 3.26Å; D357-I359 PolarHBondContact O-N 2.98Å; I359-A362 PolarHBondContact O-N 3.44Å; I359-I363 HydrophobicContact CG2-CD1 3.9Å; I359-I363 WeakPolarHBondContact O-CG1 3.37Å; I359-I363 PolarHBondContact O-N 3.49Å; I359-I363 VanDerWaalsContact O-N 3.07Å
360H79.6Confident78.6Confident9 Ų961.7 Ų61.74%0.04236%0.358CS..Hα-helixtrans-60.2-50.4177175.445.1000110.9Y343 Y344 S346 D357 A362 I363 Y364Y343-H360 AromaticContact CD1-ND1 3.97Å; Y343-H360 HydrophobicContact CE1-CB 4.08Å; Y343-H360 AromaticContact CE1-CG 3.77Å; Y343-H360 AromaticContact CE1-ND1 3.99Å; Y343-H360 PolarHBondContact O-CE1 2.97Å; Y344-H360 VanDerWaalsContact CA-CE1 3.47Å; Y344-H360 WeakPolarHBondContact CA-CE1 3.43Å; Y344-H360 WeakPolarHBondContact CA-ND1 3.48Å; Y344-H360 HydrophobicContact CD1-CB 4.47Å; Y344-H360 AromaticContact CD1-ND1 3.59Å; Y344-H360 HydrophobicContact CE1-CB 4.47Å; S346-H360 PolarHBondContact O-CE1 3.48Å; S346-H360 VanDerWaalsContact O-CE1 3.27Å; S346-H360 PolarHBondContact O-NE2 3.02Å; S346-H360 VanDerWaalsContact O-NE2 3.09Å; D357-H360 HydrophobicContact CB-CB 3.93Å; D357-H360 PolarHBondContact O-N 2.99Å; H360-A362 VanDerWaalsContact C-N 3.34Å; H360-A362 PolarHBondContact O-N 3.04Å; H360-I363 PolarHBondContact O-N 3.39Å; H360-Y364 WeakPolarHBondContact O-CB 3.37Å; H360-Y364 PolarHBondContact O-N 3.37Å
361A79.8Confident79.8Confident5 Ų560.1 Ų60.14%0.04135%0.347CS..Hα-helixtrans-60-41.1177.800000112.7V354 D357 Y364 I365V354-A361 HydrophobicContact CB-CB 4.45Å; V354-A361 HydrophobicContact CG1-CB 3.84Å; V354-A361 HydrophobicContact CG2-CB 4.3Å; D357-A361 PolarHBondContact O-N 3.31Å; A361-Y364 PolarHBondContact O-N 3.06Å; A361-I365 WeakPolarHBondContact O-CB 3.24Å; A361-I365 WeakPolarHBondContact O-CD1 3.43Å; A361-I365 WeakPolarHBondContact O-CG1 3.23Å; A361-I365 PolarHBondContact O-N 3.4Å
362A85.4Confident80.9Confident50 Ų5053.4 Ų53.441%0.41332%0.318SS..Hα-helixtrans-64.3-43.7178.500000112.5P358 I359 H360 I365 V366P358-A362 WeakPolarHBondContact O-CB 3.33Å; P358-A362 PolarHBondContact O-N 2.99Å; I359-A362 PolarHBondContact O-N 3.44Å; H360-A362 VanDerWaalsContact C-N 3.34Å; H360-A362 PolarHBondContact O-N 3.04Å; A362-I365 PolarHBondContact O-N 3.17Å; A362-V366 WeakPolarHBondContact O-CG2 3.2Å; A362-V366 PolarHBondContact O-N 2.95Å
363I86.2Confident82Confident74 Ų7452.7 Ų52.738%0.37931%0.309SS..Hα-helixtrans-64.4-44.3177.5-67.9167.2000110.3Y344 I359 H360 I365 V366 F367Y344-I363 HydrophobicContact CD1-CB 4.22Å; Y344-I363 HydrophobicContact CD1-CD1 3.66Å; Y344-I363 HydrophobicContact CD1-CG2 4.24Å; Y344-I363 HydrophobicContact CE1-CD1 3.65Å; Y344-I363 HydrophobicContact CG-CD1 4.39Å; Y344-I363 HydrophobicContact CG-CG2 4.35Å; I359-I363 HydrophobicContact CG2-CD1 3.9Å; I359-I363 WeakPolarHBondContact O-CG1 3.37Å; I359-I363 PolarHBondContact O-N 3.49Å; I359-I363 VanDerWaalsContact O-N 3.07Å; H360-I363 PolarHBondContact O-N 3.39Å; I363-I365 PolarHBondContact O-N 2.89Å; I363-V366 PolarHBondContact O-N 3.48Å; I363-F367 VanDerWaalsContact O-CB 3.24Å; I363-F367 WeakPolarHBondContact O-CB 3.49Å; I363-F367 PolarHBondContact O-N 2.98Å
364Y84.3Confident83.1Confident8 Ų856.6 Ų56.63%0.03132%0.32CS..Hα-helixtrans-58.8-46.8176.5176.3-102.9000112.1L345 P347 H360 A361 V366 F367 M368 V433 D436 F437L345-Y364 WeakPolarHBondContact O-CE2 3.49Å; P347-Y364 HydrophobicContact CB-CE1 4.39Å; P347-Y364 HydrophobicContact CB-CE2 4.18Å; H360-Y364 WeakPolarHBondContact O-CB 3.37Å; H360-Y364 PolarHBondContact O-N 3.37Å; A361-Y364 PolarHBondContact O-N 3.06Å; Y364-V366 PolarHBondContact O-N 3.43Å; Y364-F367 PolarHBondContact O-N 2.87Å; Y364-M368 HydrophobicContact CD1-CG 4.4Å; Y364-M368 HydrophobicContact CD2-CG 4.12Å; Y364-M368 HydrophobicContact CE1-CG 3.94Å; Y364-M368 HydrophobicContact CE2-CG 3.61Å; Y364-M368 HydrophobicContact CE2-SD 4.14Å; Y364-M368 HydrophobicContact CG-CG 4.47Å; Y364-M368 VanDerWaalsContact CZ-CG 3.49Å; Y364-M368 WeakPolarHBondContact O-CB 3.39Å; Y364-M368 WeakPolarHBondContact O-CG 3.36Å; Y364-M368 PolarHBondContact O-N 3.37Å; Y364-V433 HydrophobicContact CD1-CG1 4.35Å; Y364-V433 HydrophobicContact CD1-CG2 4.41Å; Y364-V433 HydrophobicContact CE1-CB 4.41Å; Y364-V433 HydrophobicContact CE1-CG1 4.09Å; Y364-V433 HydrophobicContact CE1-CG2 3.8Å; Y364-D436 PolarHBondContact OH-OD2 3.37Å; Y364-F437 HydrophobicContact CD1-CE1 4.29Å; Y364-F437 HydrophobicContact CE1-CE1 4.49Å
365I86.7Confident83.9Confident56 Ų5657.3 Ų57.329%0.28732%0.321SS..Hα-helixtrans-58.1-51177.1-72161000111.1A361 A362 I363 F367 M368 L369 V433 F437A361-I365 WeakPolarHBondContact O-CB 3.24Å; A361-I365 WeakPolarHBondContact O-CD1 3.43Å; A361-I365 WeakPolarHBondContact O-CG1 3.23Å; A361-I365 PolarHBondContact O-N 3.4Å; A362-I365 PolarHBondContact O-N 3.17Å; I363-I365 PolarHBondContact O-N 2.89Å; I365-F367 VanDerWaalsContact C-N 3.34Å; I365-F367 PolarHBondContact O-N 3.18Å; I365-M368 PolarHBondContact O-N 3.18Å; I365-L369 HydrophobicContact CG2-CD1 3.47Å; I365-L369 VanDerWaalsContact CG2-CD1 3.47Å; I365-L369 HydrophobicContact CG2-CG 4.47Å; I365-L369 WeakPolarHBondContact O-CB 3.37Å; I365-L369 WeakPolarHBondContact O-CD1 3.4Å; I365-L369 VanDerWaalsContact O-CG 3.32Å; I365-L369 WeakPolarHBondContact O-CG 3.47Å; I365-L369 PolarHBondContact O-N 3.06Å; I365-V433 HydrophobicContact CG1-CG1 3.78Å; I365-F437 HydrophobicContact CD1-CE2 3.77Å; I365-F437 HydrophobicContact CD1-CZ 3.75Å; I365-F437 HydrophobicContact CG1-CE2 4.03Å; I365-F437 HydrophobicContact CG1-CZ 3.72Å
366V89.4Confident84.5Confident104 Ų10451.5 Ų51.563%0.6329%0.29SS*.Hα-helixtrans-63.9-42.2-178.3172.30000110.7A362 I363 Y364 G370A362-V366 WeakPolarHBondContact O-CG2 3.2Å; A362-V366 PolarHBondContact O-N 2.95Å; I363-V366 PolarHBondContact O-N 3.48Å; Y364-V366 PolarHBondContact O-N 3.43Å; V366-G370 WeakPolarHBondContact O-CA 3.4Å; V366-G370 PolarHBondContact O-N 3.43Å
367F87.8Confident84.9Confident67 Ų6750.9 Ų50.929%0.29428%0.281SS..Hα-helixtrans-64.1-47.1177.5177.2-101.5000111.9V298 L345 I363 Y364 I365 S371V298-F367 HydrophobicContact CG2-CE1 3.94Å; V298-F367 HydrophobicContact CG2-CZ 4.4Å; L345-F367 HydrophobicContact CD2-CE1 3.9Å; L345-F367 HydrophobicContact CD2-CE2 4.48Å; L345-F367 HydrophobicContact CD2-CZ 3.74Å; L345-F367 HydrophobicContact CG-CD1 4.19Å; L345-F367 HydrophobicContact CG-CE1 3.79Å; L345-F367 HydrophobicContact CG-CZ 3.99Å; I363-F367 VanDerWaalsContact O-CB 3.24Å; I363-F367 WeakPolarHBondContact O-CB 3.49Å; I363-F367 PolarHBondContact O-N 2.98Å; Y364-F367 PolarHBondContact O-N 2.87Å; I365-F367 VanDerWaalsContact C-N 3.34Å; I365-F367 PolarHBondContact O-N 3.18Å; F367-S371 WeakPolarHBondContact O-CB 3.45Å; F367-S371 PolarHBondContact O-N 2.88Å; F367-S371 PolarHBondContact O-OG 3.44Å
368M85.1Confident85.2Confident6 Ų649.5 Ų49.53%0.0328%0.276CS..Hα-helixtrans-62.3-51.8178.4-78.7-61.3-73.100111.8Q294 Y364 I365 G370 S371 C372 V433Q294-M368 VanDerWaalsContact CD-SD 3.52Å; Q294-M368 PolarHBondContact NE2-SD 3.48Å; Y364-M368 HydrophobicContact CD1-CG 4.4Å; Y364-M368 HydrophobicContact CD2-CG 4.12Å; Y364-M368 HydrophobicContact CE1-CG 3.94Å; Y364-M368 HydrophobicContact CE2-CG 3.61Å; Y364-M368 HydrophobicContact CE2-SD 4.14Å; Y364-M368 HydrophobicContact CG-CG 4.47Å; Y364-M368 VanDerWaalsContact CZ-CG 3.49Å; Y364-M368 WeakPolarHBondContact O-CB 3.39Å; Y364-M368 WeakPolarHBondContact O-CG 3.36Å; Y364-M368 PolarHBondContact O-N 3.37Å; I365-M368 PolarHBondContact O-N 3.18Å; M368-G370 PolarHBondContact O-N 2.9Å; M368-S371 PolarHBondContact O-OG 3.37Å; M368-C372 WeakPolarHBondContact O-CB 3.45Å; M368-C372 PolarHBondContact O-N 3.06Å; M368-C372 PolarHBondContact O-SG 3.49Å; M368-V433 HydrophobicContact CB-CG2 3.74Å; M368-V433 HydrophobicContact CG-CG2 3.98Å
369L88.8Confident85.3Confident42 Ų4247.3 Ų47.322%0.2226%0.257CS..Hα-helixtrans-62.5-44.6179.8-70.3162000111.7I365 A373 L426I365-L369 HydrophobicContact CG2-CD1 3.47Å; I365-L369 VanDerWaalsContact CG2-CD1 3.47Å; I365-L369 HydrophobicContact CG2-CG 4.47Å; I365-L369 WeakPolarHBondContact O-CB 3.37Å; I365-L369 WeakPolarHBondContact O-CD1 3.4Å; I365-L369 VanDerWaalsContact O-CG 3.32Å; I365-L369 WeakPolarHBondContact O-CG 3.47Å; I365-L369 PolarHBondContact O-N 3.06Å; L369-A373 VanDerWaalsContact O-CB 3.28Å; L369-A373 WeakPolarHBondContact O-CB 3.44Å; L369-A373 PolarHBondContact O-N 3.1Å; L369-L426 HydrophobicContact CD2-CD2 3.76Å; L369-L426 HydrophobicContact CD2-CG 3.81Å; L369-L426 VanDerWaalsContact CD2-O 3.22Å; L369-L426 WeakPolarHBondContact CD2-O 3.42Å
370G89Confident85.2Confident42 Ų4242 Ų4243%0.43323%0.23SC..Hα-helixtrans-64.5-46.9-179.900000112.5V366 M368 F374V366-G370 WeakPolarHBondContact O-CA 3.4Å; V366-G370 PolarHBondContact O-N 3.43Å; M368-G370 PolarHBondContact O-N 2.9Å; G370-F374 VanDerWaalsContact O-CB 3.28Å; G370-F374 WeakPolarHBondContact O-CB 3.22Å; G370-F374 PolarHBondContact O-N 3.04Å
371S86.9Confident85.2Confident16 Ų1648.9 Ų48.911%0.11226%0.262CS..Hα-helixtrans-67.2-44.1179.160.70000112.1Q294 F367 M368 A373 F374 F375Q294-S371 VanDerWaalsContact CG-OG 3.26Å; Q294-S371 WeakPolarHBondContact CG-OG 3.49Å; F367-S371 WeakPolarHBondContact O-CB 3.45Å; F367-S371 PolarHBondContact O-N 2.88Å; F367-S371 PolarHBondContact O-OG 3.44Å; M368-S371 PolarHBondContact O-OG 3.37Å; S371-A373 PolarHBondContact O-N 2.85Å; S371-F374 PolarHBondContact O-N 3.26Å; S371-F375 WeakPolarHBondContact O-CB 3.42Å; S371-F375 WeakPolarHBondContact O-CD2 3.32Å; S371-F375 PolarHBondContact O-N 3.36Å
372C83.8Confident85Confident2 Ų251.9 Ų51.91%0.01428%0.28CS..Hα-helixtrans-62.7-41.5176.4-700000112.5M368 S376 G425M368-C372 WeakPolarHBondContact O-CB 3.45Å; M368-C372 PolarHBondContact O-N 3.06Å; M368-C372 PolarHBondContact O-SG 3.49Å; C372-S376 VanDerWaalsContact O-CB 3.3Å; C372-S376 WeakPolarHBondContact O-CB 3.23Å; C372-S376 PolarHBondContact O-N 3.29Å; C372-G425 WeakPolarHBondContact CB-O 3.45Å
373A86.1Confident84.2Confident20 Ų2051.8 Ų51.817%0.16528%0.276CS..Hα-helixtrans-67.6-39.8176.600000112.2L369 S371 K377L369-A373 VanDerWaalsContact O-CB 3.28Å; L369-A373 WeakPolarHBondContact O-CB 3.44Å; L369-A373 PolarHBondContact O-N 3.1Å; S371-A373 PolarHBondContact O-N 2.85Å; A373-K377 PolarHBondContact O-N 2.59Å
374F88.1Confident83.7Confident130 Ų13049.4 Ų49.457%0.5727%0.27SS*.Hα-helixtrans-64.3-51.2176.2179.3-99.2000111.5G370 S371 S376 K377 T378G370-F374 VanDerWaalsContact O-CB 3.28Å; G370-F374 WeakPolarHBondContact O-CB 3.22Å; G370-F374 PolarHBondContact O-N 3.04Å; S371-F374 PolarHBondContact O-N 3.26Å; F374-S376 VanDerWaalsContact C-N 3.31Å; F374-S376 PolarHBondContact O-N 3.34Å; F374-K377 PolarHBondContact O-N 3.05Å; F374-T378 HydrophobicContact CD1-CG2 4.42Å; F374-T378 HydrophobicContact CE1-CG2 3.99Å; F374-T378 HydrophobicContact CE2-CG2 4.18Å; F374-T378 HydrophobicContact CZ-CG2 3.86Å; F374-T378 PolarHBondContact O-N 3.21Å; F374-T378 PolarHBondContact O-OG1 2.92Å
375F84.8Confident83.4Confident44 Ų4451.1 Ų51.119%0.19328%0.283CS..Hα-helixtrans-63.5-35.5178.6-77.5-55.6000112.8P290 Q294 L297 S371 T378 W379P290-F375 HydrophobicContact CB-CB 4.13Å; Q294-F375 HydrophobicContact CB-CD2 4.04Å; Q294-F375 HydrophobicContact CB-CE2 4.36Å; Q294-F375 HydrophobicContact CG-CD2 4.44Å; L297-F375 HydrophobicContact CD1-CE2 4.27Å; L297-F375 HydrophobicContact CD1-CZ 3.72Å; S371-F375 WeakPolarHBondContact O-CB 3.42Å; S371-F375 WeakPolarHBondContact O-CD2 3.32Å; S371-F375 PolarHBondContact O-N 3.36Å; F375-T378 WeakPolarHBondContact CA-OG1 3.32Å; F375-T378 PolarHBondContact O-OG1 3.41Å; F375-T378 VanDerWaalsContact O-OG1 3.14Å; F375-W379 WeakPolarHBondContact O-CB 3.42Å; F375-W379 PolarHBondContact O-N 3.41Å
376S84.6Confident83.2Confident0 Ų049.5 Ų49.50%028%0.277CS..Hα-helixtrans-63.2-45.1174.7-177.80000111.6T286 C372 F374 W379 I380 A421T286-S376 PolarHBondContact OG1-OG 3.08Å; C372-S376 VanDerWaalsContact O-CB 3.3Å; C372-S376 WeakPolarHBondContact O-CB 3.23Å; C372-S376 PolarHBondContact O-N 3.29Å; F374-S376 VanDerWaalsContact C-N 3.31Å; F374-S376 PolarHBondContact O-N 3.34Å; S376-W379 PolarHBondContact O-N 3.04Å; S376-I380 WeakPolarHBondContact O-CG1 3.46Å; S376-I380 PolarHBondContact O-N 2.84Å; S376-A421 PolarHBondContact OG-O 2.97Å
377K83.6Confident82.9Confident115 Ų11544.8 Ų44.850%0.525%0.249SC..Hα-helixtrans-62.4-48.1178.1-75.8-175.6178.8-179.30112.8A373 F374 W379 I380 A422A373-K377 PolarHBondContact O-N 2.59Å; F374-K377 PolarHBondContact O-N 3.05Å; K377-W379 VanDerWaalsContact C-N 3.27Å; K377-W379 PolarHBondContact O-N 3.48Å; K377-I380 PolarHBondContact O-N 2.97Å; K377-A422 HydrophobicContact CD-CB 4.41Å; K377-A422 HydrophobicContact CG-CB 4.23Å
378T84Confident82.8Confident48 Ų4849.1 Ų49.129%0.29427%0.268SS..Hα-helixtrans-65.4-34.6179.755.70000111.5F374 F375 I380 E381 V382F374-T378 HydrophobicContact CD1-CG2 4.42Å; F374-T378 HydrophobicContact CE1-CG2 3.99Å; F374-T378 HydrophobicContact CE2-CG2 4.18Å; F374-T378 HydrophobicContact CZ-CG2 3.86Å; F374-T378 PolarHBondContact O-N 3.21Å; F374-T378 PolarHBondContact O-OG1 2.92Å; F375-T378 WeakPolarHBondContact CA-OG1 3.32Å; F375-T378 PolarHBondContact O-OG1 3.41Å; F375-T378 VanDerWaalsContact O-OG1 3.14Å; T378-I380 VanDerWaalsContact C-N 3.34Å; T378-I380 PolarHBondContact O-N 3.47Å; T378-E381 PolarHBondContact O-N 3.18Å; T378-V382 WeakPolarHBondContact O-CG2 3.31Å; T378-V382 PolarHBondContact O-N 3.43Å
379W82.3Confident82.7Confident35 Ų3551.7 Ų51.713%0.13328%0.281CS..Hα-helixtrans-65.2-33.7178.4-168.9-102.1000113.6I289 L293 F375 S376 K377 E381 V382 S383I289-W379 HydrophobicContact CB-CZ2 4.4Å; I289-W379 HydrophobicContact CD1-CZ2 3.71Å; I289-W379 HydrophobicContact CG2-CD2 3.84Å; I289-W379 HydrophobicContact CG2-CE3 4.14Å; I289-W379 HydrophobicContact CG2-CH2 3.91Å; I289-W379 HydrophobicContact CG2-CZ2 3.61Å; I289-W379 HydrophobicContact CG2-CZ3 4.16Å; L293-W379 HydrophobicContact CD1-CD2 4.35Å; L293-W379 HydrophobicContact CD1-CE3 3.59Å; L293-W379 HydrophobicContact CD1-CZ3 3.86Å; F375-W379 WeakPolarHBondContact O-CB 3.42Å; F375-W379 PolarHBondContact O-N 3.41Å; S376-W379 PolarHBondContact O-N 3.04Å; K377-W379 VanDerWaalsContact C-N 3.27Å; K377-W379 PolarHBondContact O-N 3.48Å; W379-E381 PolarHBondContact O-N 3.45Å; W379-V382 HydrophobicContact CZ3-CG1 4.47Å; W379-V382 PolarHBondContact O-N 2.92Å; W379-S383 WeakPolarHBondContact O-CB 3.38Å; W379-S383 PolarHBondContact O-N 2.91Å; W379-S383 PolarHBondContact O-OG 2.67Å
380I82.8Confident82.5Confident10 Ų1049.9 Ų49.95%0.05127%0.272CS..Hα-helixtrans-59.4-39.8175.9-63.3163.3000111.3Y285 T286 S376 K377 T378 S383 S385 S386 I417 A421Y285-I380 HydrophobicContact CD1-CG1 4.34Å; T286-I380 HydrophobicContact CG2-CD1 4.36Å; T286-I380 HydrophobicContact CG2-CG1 3.46Å; T286-I380 VanDerWaalsContact CG2-CG1 3.46Å; S376-I380 WeakPolarHBondContact O-CG1 3.46Å; S376-I380 PolarHBondContact O-N 2.84Å; K377-I380 PolarHBondContact O-N 2.97Å; T378-I380 VanDerWaalsContact C-N 3.34Å; T378-I380 PolarHBondContact O-N 3.47Å; I380-S383 PolarHBondContact O-OG 2.71Å; I380-S385 WeakPolarHBondContact CG2-O 3.44Å; I380-S385 PolarHBondContact O-N 3.41Å; I380-S386 PolarHBondContact O-N 3.05Å; I380-I417 HydrophobicContact CD1-CG2 4.4Å; I380-I417 HydrophobicContact CG2-CG2 4.13Å; I380-A421 HydrophobicContact CD1-CB 3.01Å; I380-A421 HydrophobicContact CG1-CB 3.8Å
381E79.9Confident82.2Confident153 Ų15348.3 Ų48.372%0.71526%0.255SS*.Hα-helixtrans-72.1-41-179.1-61.7-176.3170.300111.3T378 W379T378-E381 PolarHBondContact O-N 3.18Å; W379-E381 PolarHBondContact O-N 3.45Å
382V75.5Confident82.2Confident67 Ų6753.7 Ų53.741%0.40628%0.276SS..Hα-helixtrans-72.6-37.7179.8175.50000112.2T378 W379 G384T378-V382 WeakPolarHBondContact O-CG2 3.31Å; T378-V382 PolarHBondContact O-N 3.43Å; W379-V382 HydrophobicContact CZ3-CG1 4.47Å; W379-V382 PolarHBondContact O-N 2.92Å; V382-G384 PolarHBondContact O-N 3.34Å
383S69.7Low82.2Confident48 Ų4858.5 Ų58.534%0.33630%0.298SS..THydrogen-bonded Turntrans-76.2-3.4-17861.20000114.2W379 I380 S385W379-S383 WeakPolarHBondContact O-CB 3.38Å; W379-S383 PolarHBondContact O-N 2.91Å; W379-S383 PolarHBondContact O-OG 2.67Å; I380-S383 PolarHBondContact O-OG 2.71Å; S383-S385 PolarHBondContact O-N 2.93Å; S383-S385 WeakPolarHBondContact OG-CB 3.18Å; S383-S385 PolarHBondContact OG-OG 3.48Å
384G73.9Confident82Confident25 Ų2558 Ų5826%0.25829%0.293SS..THydrogen-bonded Turntrans62.623.4-174.400000112.9V382 S386 D389V382-G384 PolarHBondContact O-N 3.34Å; G384-S386 VanDerWaalsContact C-N 3.32Å; G384-D389 WeakPolarHBondContact CA-OD2 3.45Å; G384-D389 WeakPolarHBondContact O-CB 3.47Å
385S78.6Confident81.8Confident44 Ų4457 Ų5731%0.30829%0.288SS..  trans-99.719.8175.2-57.50000111.1Y285 I380 S383Y285-S385 WeakPolarHBondContact CE1-O 3.32Å; Y285-S385 PolarHBondContact OH-O 2.71Å; Y285-S385 VanDerWaalsContact OH-O 3.06Å; I380-S385 WeakPolarHBondContact CG2-O 3.44Å; I380-S385 PolarHBondContact O-N 3.41Å; S383-S385 PolarHBondContact O-N 2.93Å; S383-S385 WeakPolarHBondContact OG-CB 3.18Å; S383-S385 PolarHBondContact OG-OG 3.48Å
386S83.2Confident81.8Confident22 Ų2261.2 Ų61.215%0.15431%0.309CS..SBendtrans-66.3156177.482.10000110.9I380 G384 K388 D389 V390I380-S386 PolarHBondContact O-N 3.05Å; G384-S386 VanDerWaalsContact C-N 3.32Å; S386-K388 PolarHBondContact O-N 3.27Å; S386-D389 WeakPolarHBondContact CB-OD2 3.39Å; S386-D389 PolarHBondContact O-N 2.86Å; S386-D389 PolarHBondContact OG-N 3.4Å; S386-D389 PolarHBondContact OG-OD2 3.45Å; S386-V390 WeakPolarHBondContact O-CG2 3.25Å; S386-V390 PolarHBondContact O-N 3.1Å
387A83.5Confident81.7Confident5 Ų567.4 Ų67.44%0.04134%0.338CS..Hα-helixtrans-54.6-30.1177.900000113.1A391 L413 N414 I417A387-A391 WeakPolarHBondContact O-CB 3.3Å; A387-A391 PolarHBondContact O-N 2.83Å; A387-A391 VanDerWaalsContact O-N 3.14Å; A387-L413 HydrophobicContact CB-CB 4Å; A387-N414 HydrophobicContact CB-CB 3.96Å; A387-I417 HydrophobicContact CB-CD1 4.01Å
388K84.6Confident81.5Confident158 Ų15867.2 Ų67.269%0.68734%0.338SS*.Hα-helixtrans-73.5-43.7176.3-66.3179.4-178.4174.10111.9S386 A391 K392 V410S386-K388 PolarHBondContact O-N 3.27Å; K388-A391 PolarHBondContact O-N 3.44Å; K388-K392 WeakPolarHBondContact O-CB 3.26Å; K388-K392 PolarHBondContact O-N 3.47Å; K388-V410 HydrophobicContact CG-CG1 4.27Å
389D83.9Confident81.4Confident59 Ų5965.8 Ų65.832%0.31633%0.329SS..Hα-helixtrans-69.2-43-178.7-58.5-41.3000111.2G384 S386 A391 K392 Q393G384-D389 WeakPolarHBondContact CA-OD2 3.45Å; G384-D389 WeakPolarHBondContact O-CB 3.47Å; S386-D389 WeakPolarHBondContact CB-OD2 3.39Å; S386-D389 PolarHBondContact O-N 2.86Å; S386-D389 PolarHBondContact OG-N 3.4Å; S386-D389 PolarHBondContact OG-OD2 3.45Å; D389-A391 PolarHBondContact O-N 2.97Å; D389-K392 WeakPolarHBondContact O-CB 3.35Å; D389-K392 PolarHBondContact O-N 2.88Å; D389-Q393 WeakPolarHBondContact O-CG 3.27Å; D389-Q393 PolarHBondContact O-N 2.58Å
390V83.4Confident81.1Confident4 Ų465.5 Ų65.52%0.02433%0.331CS..Hα-helixtrans-62.8-42.8174.9176.60000110.9Y279 Y285 S386 K392 Q393 L394 L413 I417Y279-V390 HydrophobicContact CE1-CG1 4.36Å; Y285-V390 WeakPolarHBondContact OH-CG2 3.38Å; S386-V390 WeakPolarHBondContact O-CG2 3.25Å; S386-V390 PolarHBondContact O-N 3.1Å; V390-K392 VanDerWaalsContact C-N 3.31Å; V390-K392 PolarHBondContact O-N 2.79Å; V390-Q393 PolarHBondContact O-N 3.48Å; V390-L394 HydrophobicContact CG1-CD1 4.11Å; V390-L394 HydrophobicContact CG1-CG 4.44Å; V390-L394 WeakPolarHBondContact O-CB 3.39Å; V390-L394 WeakPolarHBondContact O-CG 3.47Å; V390-L394 PolarHBondContact O-N 2.7Å; V390-L413 HydrophobicContact CG1-CD1 4.4Å; V390-I417 HydrophobicContact CB-CD1 4.45Å; V390-I417 HydrophobicContact CG2-CD1 4.38Å
391A83.8Confident80.8Confident9 Ų965.4 Ų65.47%0.07433%0.33CS..Hα-helixtrans-62.8-38.4175.300000112.1A387 K388 D389 L394 K395 M409 V410 L413A387-A391 WeakPolarHBondContact O-CB 3.3Å; A387-A391 PolarHBondContact O-N 2.83Å; A387-A391 VanDerWaalsContact O-N 3.14Å; K388-A391 PolarHBondContact O-N 3.44Å; D389-A391 PolarHBondContact O-N 2.97Å; A391-L394 PolarHBondContact O-N 3.05Å; A391-K395 WeakPolarHBondContact O-CB 3.3Å; A391-K395 PolarHBondContact O-N 3.43Å; A391-M409 HydrophobicContact CB-SD 4.4Å; A391-V410 HydrophobicContact CB-CG2 3.62Å; A391-L413 HydrophobicContact CB-CD1 3.94Å
392K85.4Confident80.3Confident129 Ų12966.6 Ų66.656%0.56133%0.328SS*.Hα-helixtrans-64.7-44.4175.2-171.3-176.2174.3-166.30111.4K388 D389 V390 K395 E396K388-K392 WeakPolarHBondContact O-CB 3.26Å; K388-K392 PolarHBondContact O-N 3.47Å; D389-K392 WeakPolarHBondContact O-CB 3.35Å; D389-K392 PolarHBondContact O-N 2.88Å; V390-K392 VanDerWaalsContact C-N 3.31Å; V390-K392 PolarHBondContact O-N 2.79Å; K392-K395 WeakPolarHBondContact O-CB 3.45Å; K392-K395 PolarHBondContact O-N 3.36Å; K392-E396 VanDerWaalsContact CE-OE1 3.31Å; K392-E396 WeakPolarHBondContact CE-OE1 3.36Å; K392-E396 WeakPolarHBondContact O-CG 3.36Å; K392-E396 PolarHBondContact O-N 2.6Å
393Q83.8Confident80Confident103 Ų10367 Ų6748%0.48135%0.346SS..Hα-helixtrans-61.5-45.6175.3-72.7177.9600112.1D389 V390 K395 E396 Q397D389-Q393 WeakPolarHBondContact O-CG 3.27Å; D389-Q393 PolarHBondContact O-N 2.58Å; V390-Q393 PolarHBondContact O-N 3.48Å; Q393-K395 VanDerWaalsContact C-N 3.26Å; Q393-K395 PolarHBondContact O-N 3.12Å; Q393-E396 PolarHBondContact O-N 3.22Å; Q393-Q397 WeakPolarHBondContact O-CG 3.28Å; Q393-Q397 PolarHBondContact O-N 2.87Å
394L83.5Confident80.1Confident10 Ų1068.1 Ų68.15%0.05235%0.345CS..Hα-helixtrans-61.8-37.1176.2-72.5173.1000111.5I267 V390 A391 Q397 Q398 M399 M409 L413I267-L394 HydrophobicContact CD1-CD2 4.4Å; V390-L394 HydrophobicContact CG1-CD1 4.11Å; V390-L394 HydrophobicContact CG1-CG 4.44Å; V390-L394 WeakPolarHBondContact O-CB 3.39Å; V390-L394 WeakPolarHBondContact O-CG 3.47Å; V390-L394 PolarHBondContact O-N 2.7Å; A391-L394 PolarHBondContact O-N 3.05Å; L394-Q397 CarbonylContact O-C 3.51Å; L394-Q397 PolarHBondContact O-N 2.9Å; L394-Q398 PolarHBondContact O-N 2.98Å; L394-Q398 VanDerWaalsContact O-N 3.15Å; L394-M399 HydrophobicContact CB-CB 4.47Å; L394-M399 HydrophobicContact CD2-CB 4.11Å; L394-M399 PolarHBondContact O-N 2.93Å; L394-M409 HydrophobicContact CB-SD 4.21Å; L394-M409 HydrophobicContact CD1-SD 4.08Å; L394-L413 HydrophobicContact CD1-CD1 4.26Å
395K83.3Confident79.9Confident108 Ų10876.7 Ų76.747%0.4737%0.37SS..Hα-helixtrans-65.5-45.2174.7-177.9174.1-178.9150.50112.4A391 K392 Q393 Q397 Q398 E406A391-K395 WeakPolarHBondContact O-CB 3.3Å; A391-K395 PolarHBondContact O-N 3.43Å; K392-K395 WeakPolarHBondContact O-CB 3.45Å; K392-K395 PolarHBondContact O-N 3.36Å; Q393-K395 VanDerWaalsContact C-N 3.26Å; Q393-K395 PolarHBondContact O-N 3.12Å; K395-Q397 PolarHBondContact O-N 3.35Å; K395-Q398 PolarHBondContact O-N 2.88Å; K395-Q398 PolarHBondContact O-NE2 3.31Å; K395-E406 WeakPolarHBondContact CE-OE2 3.48Å; K395-E406 IonicContact NZ-OE2 3.73Å; K395-E406 PolarHBondContact NZ-OE2 3.29Å
396E85.5Confident79.2Confident133 Ų13379.7 Ų79.762%0.62138%0.379SS*.Hα-helixtrans-60.7-35.2175.2-74.3173-170.400111.4K392 Q393 Q398K392-E396 VanDerWaalsContact CE-OE1 3.31Å; K392-E396 WeakPolarHBondContact CE-OE1 3.36Å; K392-E396 WeakPolarHBondContact O-CG 3.36Å; K392-E396 PolarHBondContact O-N 2.6Å; Q393-E396 PolarHBondContact O-N 3.22Å; E396-Q398 PolarHBondContact O-N 3.39Å
397Q81.1Confident78.7Confident131 Ų13184.1 Ų84.161%0.61241%0.406SS*.THydrogen-bonded Turntrans-79.10.8173.6-67.1179.2-1.900114.4Q393 L394 K395 M399Q393-Q397 WeakPolarHBondContact O-CG 3.28Å; Q393-Q397 PolarHBondContact O-N 2.87Å; L394-Q397 CarbonylContact O-C 3.51Å; L394-Q397 PolarHBondContact O-N 2.9Å; K395-Q397 PolarHBondContact O-N 3.35Å; Q397-M399 HydrophobicContact CB-CG 4.06Å; Q397-M399 PolarHBondContact O-N 2.88Å
398Q80.2Confident78.3Confident110 Ų11086 Ų8651%0.51442%0.419SS..THydrogen-bonded Turntrans56.936.3-177.5-60.7-70.3-64.900113.2A270 L394 K395 E396A270-Q398 HydrophobicContact CB-CB 4.5Å; A270-Q398 VanDerWaalsContact CB-O 3.31Å; A270-Q398 WeakPolarHBondContact CB-O 3.37Å; A270-Q398 PolarHBondContact N-O 3.31Å; L394-Q398 PolarHBondContact O-N 2.98Å; L394-Q398 VanDerWaalsContact O-N 3.15Å; K395-Q398 PolarHBondContact O-N 2.88Å; K395-Q398 PolarHBondContact O-NE2 3.31Å; E396-Q398 PolarHBondContact O-N 3.39Å
399M80.7Confident78Confident19 Ų1979 Ų799%0.09439%0.388CS..EExtended strand (participates in β ladder)trans-100131.8175.1-61.5-62.5-77.100109.7I267 N277 L394 Q397 M409I267-M399 HydrophobicContact CB-CE 4.28Å; I267-M399 HydrophobicContact CD1-CE 3.53Å; I267-M399 HydrophobicContact CG1-CE 3.86Å; N277-M399 HydrophobicContact CB-CE 4.24Å; L394-M399 HydrophobicContact CB-CB 4.47Å; L394-M399 HydrophobicContact CD2-CB 4.11Å; L394-M399 PolarHBondContact O-N 2.93Å; Q397-M399 HydrophobicContact CB-CG 4.06Å; Q397-M399 PolarHBondContact O-N 2.88Å; M399-M409 WeakPolarHBondContact O-CE 3.42Å
400V77.3Confident77.9Confident28 Ų2878.6 Ų78.617%0.1739%0.388CS..EExtended strand (participates in β ladder)trans-124.1141.8-178.1-174.50000109.6K268 A270K268-V400 HydrophobicContact CG-CB 4.41Å; K268-V400 WeakPolarHBondContact CG-O 3.31Å; K268-V400 PolarHBondContact N-O 3.34Å; K268-V400 PolarHBondContact O-N 3.39Å; A270-V400 HydrophobicContact CB-CG2 4.11Å
401M75.1Confident78Confident9 Ų985.2 Ų85.24%0.04442%0.418CS..EExtended strand (participates in β ladder)trans-74.4146.6177.1-167.4174.9-98.400110.8L265 G403 H404 M409 E412L265-M401 HydrophobicContact CB-CE 3.98Å; L265-M401 HydrophobicContact CD1-CE 3.71Å; L265-M401 HydrophobicContact CD2-CE 4.24Å; L265-M401 HydrophobicContact CG-CE 4.2Å; M401-G403 PolarHBondContact O-N 3.25Å; M401-H404 HydrophobicContact CB-CB 4.48Å; M401-M409 HydrophobicContact CB-CG 4.25Å; M401-E412 HydrophobicContact CE-CB 4.43Å; M401-E412 HydrophobicContact CE-CG 4.27Å; M401-E412 HydrophobicContact SD-CB 3.9Å; M401-E412 HydrophobicContact SD-CG 3.79Å
402R69.5Low78Confident178 Ų17886.9 Ų86.967%0.67242%0.424SS*.THydrogen-bonded Turntrans-64.5131.8178.9-172.4178.8176.9-179.9-1.3110.3P266 H404P266-R402 HydrophobicContact CG-CB 4.46Å; P266-R402 PolarHBondContact O-N 3.44Å; R402-H404 PolarHBondContact O-N 2.86Å; R402-H404 PolarHBondContact O-ND1 2.89Å
403G70.2Confident77.9Confident75 Ų7580.8 Ų80.877%0.77340%0.398SS*.THydrogen-bonded Turntrans78.7-10.3173.600000116.1M401M401-G403 PolarHBondContact O-N 3.25Å
404H72Confident78.1Confident71 Ų7180.3 Ų80.333%0.32940%0.399SS..  trans-113.6143.3-173-71.698.5000112.5M401 R402 E412M401-H404 HydrophobicContact CB-CB 4.48Å; R402-H404 PolarHBondContact O-N 2.86Å; R402-H404 PolarHBondContact O-ND1 2.89Å; H404-E412 IonicContact CD2-OE2 2.7Å; H404-E412 IonicContact CE1-OE2 2.56Å; H404-E412 PolarHBondContact CE1-OE2 3.11Å; H404-E412 IonicContact CG-OE2 3.66Å; H404-E412 IonicContact ND1-OE2 2.75Å; H404-E412 PolarHBondContact ND1-OE2 3.23Å; H404-E412 IonicContact NE2-OE2 2.73Å; H404-E412 PolarHBondContact NE2-OE2 3.17Å
405R69.6Low78.2Confident205 Ų20587.9 Ų87.977%0.77443%0.427SS*.  trans-74161.6168.3-68.9-176.2179.7178.90.5109.7T407 S408 M409R405-T407 PolarHBondContact O-N 2.91Å; R405-T407 VanDerWaalsContact O-N 3.17Å; R405-S408 WeakPolarHBondContact O-CA 3.29Å; R405-S408 WeakPolarHBondContact O-CB 3.43Å; R405-S408 PolarHBondContact O-N 3.09Å; R405-M409 PolarHBondContact O-N 3.14Å; R405-M409 VanDerWaalsContact O-N 3.13Å
406E64.4Low78.3Confident108 Ų10886.2 Ų86.251%0.50542%0.418SS..Hα-helixtrans-51.9-40.8-177.2-64.8-172.1-176.700113.6K395 S408 M409K395-E406 WeakPolarHBondContact CE-OE2 3.48Å; K395-E406 IonicContact NZ-OE2 3.73Å; K395-E406 PolarHBondContact NZ-OE2 3.29Å; E406-S408 VanDerWaalsContact C-N 3.34Å; E406-S408 PolarHBondContact O-N 3.25Å; E406-M409 WeakPolarHBondContact O-CB 3.43Å; E406-M409 PolarHBondContact O-N 3.07Å
407T71.1Confident78.4Confident115 Ų11580 Ų8071%0.70639%0.389SS*.Hα-helixtrans-69.3-32178.449.80000112.7R405R405-T407 PolarHBondContact O-N 2.91Å; R405-T407 VanDerWaalsContact O-N 3.17Å
408S76.9Confident78.6Confident45 Ų4575.7 Ų75.732%0.31537%0.373SS..Hα-helixtrans-73.6-27176.7-54.50000112.5R405 E406 V410 H411 E412R405-S408 WeakPolarHBondContact O-CA 3.29Å; R405-S408 WeakPolarHBondContact O-CB 3.43Å; R405-S408 PolarHBondContact O-N 3.09Å; E406-S408 VanDerWaalsContact C-N 3.34Å; E406-S408 PolarHBondContact O-N 3.25Å; S408-V410 VanDerWaalsContact C-N 3.33Å; S408-V410 PolarHBondContact O-N 3.36Å; S408-H411 WeakPolarHBondContact O-CB 3.38Å; S408-H411 PolarHBondContact O-N 3.26Å; S408-E412 PolarHBondContact O-N 3.26Å
409M77.8Confident78.9Confident9 Ų974.5 Ų74.54%0.04437%0.373CS..Hα-helixtrans-59.7-43.2175.3-174.9-161.2-63.700111.7A391 L394 M399 M401 R405 E406 H411 E412 L413A391-M409 HydrophobicContact CB-SD 4.4Å; L394-M409 HydrophobicContact CB-SD 4.21Å; L394-M409 HydrophobicContact CD1-SD 4.08Å; M399-M409 WeakPolarHBondContact O-CE 3.42Å; M401-M409 HydrophobicContact CB-CG 4.25Å; R405-M409 PolarHBondContact O-N 3.14Å; R405-M409 VanDerWaalsContact O-N 3.13Å; E406-M409 WeakPolarHBondContact O-CB 3.43Å; E406-M409 PolarHBondContact O-N 3.07Å; M409-H411 VanDerWaalsContact C-N 3.29Å; M409-H411 PolarHBondContact O-N 3.09Å; M409-E412 PolarHBondContact O-N 2.82Å; M409-L413 HydrophobicContact CG-CD1 3.93Å; M409-L413 HydrophobicContact CG-CG 4.47Å; M409-L413 WeakPolarHBondContact O-CB 3.47Å; M409-L413 WeakPolarHBondContact O-CG 3.47Å; M409-L413 PolarHBondContact O-N 2.59Å; M409-L413 HydrophobicContact SD-CD1 4.3Å
410V82Confident79.1Confident51 Ų5174.3 Ų74.331%0.30937%0.374SS..Hα-helixtrans-61.9-41.1177.3-179.10000110.4K388 A391 S408 N414K388-V410 HydrophobicContact CG-CG1 4.27Å; A391-V410 HydrophobicContact CB-CG2 3.62Å; S408-V410 VanDerWaalsContact C-N 3.33Å; S408-V410 PolarHBondContact O-N 3.36Å; V410-N414 WeakPolarHBondContact O-CB 3.09Å; V410-N414 PolarHBondContact O-N 3.29Å
411H85.1Confident79.4Confident143 Ų14373 Ų7366%0.66237%0.366SS*.Hα-helixtrans-65.1-43.5179.3-170.575.8000111.9S408 M409 N414 R415S408-H411 WeakPolarHBondContact O-CB 3.38Å; S408-H411 PolarHBondContact O-N 3.26Å; M409-H411 VanDerWaalsContact C-N 3.29Å; M409-H411 PolarHBondContact O-N 3.09Å; H411-N414 PolarHBondContact O-N 2.67Å; H411-R415 PolarHBondContact O-N 3.27Å; H411-R415 VanDerWaalsContact O-N 3.16Å
412E83.5Confident79.9Confident44 Ų4473.5 Ų73.521%0.20637%0.372CS..Hα-helixtrans-63.1-48176.8-156.2106.4-163.600111.6M401 H404 S408 M409 N414 R415 Y416M401-E412 HydrophobicContact CE-CB 4.43Å; M401-E412 HydrophobicContact CE-CG 4.27Å; M401-E412 HydrophobicContact SD-CB 3.9Å; M401-E412 HydrophobicContact SD-CG 3.79Å; H404-E412 IonicContact CD2-OE2 2.7Å; H404-E412 IonicContact CE1-OE2 2.56Å; H404-E412 PolarHBondContact CE1-OE2 3.11Å; H404-E412 IonicContact CG-OE2 3.66Å; H404-E412 IonicContact ND1-OE2 2.75Å; H404-E412 PolarHBondContact ND1-OE2 3.23Å; H404-E412 IonicContact NE2-OE2 2.73Å; H404-E412 PolarHBondContact NE2-OE2 3.17Å; S408-E412 PolarHBondContact O-N 3.26Å; M409-E412 PolarHBondContact O-N 2.82Å; E412-N414 VanDerWaalsContact C-N 3.29Å; E412-N414 PolarHBondContact O-N 2.96Å; E412-R415 WeakPolarHBondContact O-CB 3.47Å; E412-R415 PolarHBondContact O-N 3.34Å; E412-R415 VanDerWaalsContact O-N 3.08Å; E412-Y416 HydrophobicContact CG-CD2 4.32Å; E412-Y416 HydrophobicContact CG-CE2 3.94Å; E412-Y416 VanDerWaalsContact O-CD2 3.22Å; E412-Y416 WeakPolarHBondContact O-CD2 2.97Å; E412-Y416 PolarHBondContact O-N 2.92Å
413L83.6Confident80.8Confident1 Ų170.5 Ų70.51%0.00536%0.364CS..Hα-helixtrans-62-37.6177.2-73.3170.8000111.9L265 I281 A387 V390 A391 L394 M409 R415 Y416 I417L265-L413 HydrophobicContact CD1-CD2 3.97Å; I281-L413 HydrophobicContact CD1-CD2 4.19Å; A387-L413 HydrophobicContact CB-CB 4Å; V390-L413 HydrophobicContact CG1-CD1 4.4Å; A391-L413 HydrophobicContact CB-CD1 3.94Å; L394-L413 HydrophobicContact CD1-CD1 4.26Å; M409-L413 HydrophobicContact CG-CD1 3.93Å; M409-L413 HydrophobicContact CG-CG 4.47Å; M409-L413 WeakPolarHBondContact O-CB 3.47Å; M409-L413 WeakPolarHBondContact O-CG 3.47Å; M409-L413 PolarHBondContact O-N 2.59Å; M409-L413 HydrophobicContact SD-CD1 4.3Å; L413-R415 PolarHBondContact O-N 3.23Å; L413-Y416 PolarHBondContact O-N 2.87Å; L413-I417 HydrophobicContact CB-CD1 4.08Å; L413-I417 HydrophobicContact CD2-CD1 4.12Å; L413-I417 WeakPolarHBondContact O-CB 3.06Å; L413-I417 WeakPolarHBondContact O-CG1 3.29Å; L413-I417 PolarHBondContact O-N 3.16Å
414N87.3Confident81.5Confident94 Ų9467 Ų6750%0.50333%0.327SS..Hα-helixtrans-70.6-17.9177.6-161.540.3000113.1A387 V410 H411 E412 P418A387-N414 HydrophobicContact CB-CB 3.96Å; V410-N414 WeakPolarHBondContact O-CB 3.09Å; V410-N414 PolarHBondContact O-N 3.29Å; H411-N414 PolarHBondContact O-N 2.67Å; E412-N414 VanDerWaalsContact C-N 3.29Å; E412-N414 PolarHBondContact O-N 2.96Å; N414-P418 WeakPolarHBondContact O-CD 3.39Å; N414-P418 WeakPolarHBondContact O-CG 3.37Å
415R85.8Confident82.1Confident169 Ų16963.6 Ų63.664%0.63831%0.312SS*.Hα-helixtrans-77.2-38.1171.4-173.1178.6178.9-179.5-0.4111.8H411 E412 L413 T419H411-R415 PolarHBondContact O-N 3.27Å; H411-R415 VanDerWaalsContact O-N 3.16Å; E412-R415 WeakPolarHBondContact O-CB 3.47Å; E412-R415 PolarHBondContact O-N 3.34Å; E412-R415 VanDerWaalsContact O-N 3.08Å; L413-R415 PolarHBondContact O-N 3.23Å; R415-T419 VanDerWaalsContact O-CG2 3.29Å; R415-T419 WeakPolarHBondContact O-CG2 3.38Å; R415-T419 PolarHBondContact O-OG1 3.29Å
416Y86.6Confident83Confident73 Ų7357.7 Ų57.729%0.28630%0.295SS..Hα-helixtrans-92.7-40.4-174.7-67.6-69.1000114.2V263 L265 E412 L413 T419 A420V263-Y416 HydrophobicContact CG1-CD1 4.37Å; V263-Y416 HydrophobicContact CG1-CE1 4.37Å; L265-Y416 HydrophobicContact CD1-CD2 4.26Å; L265-Y416 HydrophobicContact CD2-CD2 4.13Å; L265-Y416 HydrophobicContact CD2-CE2 3.92Å; E412-Y416 HydrophobicContact CG-CD2 4.32Å; E412-Y416 HydrophobicContact CG-CE2 3.94Å; E412-Y416 VanDerWaalsContact O-CD2 3.22Å; E412-Y416 WeakPolarHBondContact O-CD2 2.97Å; E412-Y416 PolarHBondContact O-N 2.92Å; L413-Y416 PolarHBondContact O-N 2.87Å; Y416-T419 WeakPolarHBondContact CA-OG1 3.38Å; Y416-T419 PolarHBondContact O-OG1 2.94Å; Y416-A420 WeakPolarHBondContact O-CB 3.48Å; Y416-A420 PolarHBondContact O-N 3.48Å
417I86.1Confident84.1Confident1 Ų153.5 Ų53.51%0.00528%0.278CS..Hα-helixtrans-68.1-53.1-171.9-70168.9000112.5I281 Y285 I380 A387 V390 L413 T419 A420 A421I281-I417 HydrophobicContact CD1-CG1 4.03Å; Y285-I417 HydrophobicContact CD1-CG2 3.97Å; Y285-I417 HydrophobicContact CE1-CG2 3.47Å; Y285-I417 VanDerWaalsContact CE1-CG2 3.47Å; Y285-I417 HydrophobicContact CE2-CG1 4.27Å; I380-I417 HydrophobicContact CD1-CG2 4.4Å; I380-I417 HydrophobicContact CG2-CG2 4.13Å; A387-I417 HydrophobicContact CB-CD1 4.01Å; V390-I417 HydrophobicContact CB-CD1 4.45Å; V390-I417 HydrophobicContact CG2-CD1 4.38Å; L413-I417 HydrophobicContact CB-CD1 4.08Å; L413-I417 HydrophobicContact CD2-CD1 4.12Å; L413-I417 WeakPolarHBondContact O-CB 3.06Å; L413-I417 WeakPolarHBondContact O-CG1 3.29Å; L413-I417 PolarHBondContact O-N 3.16Å; I417-T419 VanDerWaalsContact C-N 3.3Å; I417-T419 PolarHBondContact O-N 3.29Å; I417-A420 PolarHBondContact O-N 3.48Å; I417-A421 WeakPolarHBondContact O-CB 3.48Å; I417-A421 PolarHBondContact O-N 3.29Å
418P86.1Confident84.7Confident42 Ų4248.2 Ų48.227%0.27325%0.246SC..Hα-helixtrans-66.3-32.9-179.1-20.534.1000112.8N414 A422N414-P418 WeakPolarHBondContact O-CD 3.39Å; N414-P418 WeakPolarHBondContact O-CG 3.37Å; P418-A422 VanDerWaalsContact O-CB 3.23Å; P418-A422 WeakPolarHBondContact O-CB 3.4Å; P418-A422 PolarHBondContact O-N 3.44Å
419T86.8Confident85.1Confident84 Ų8446.1 Ų46.152%0.51523%0.231SC..Hα-helixtrans-71.9-46.2177.152.90000110.9R415 Y416 I417 A421 A422 F423R415-T419 VanDerWaalsContact O-CG2 3.29Å; R415-T419 WeakPolarHBondContact O-CG2 3.38Å; R415-T419 PolarHBondContact O-OG1 3.29Å; Y416-T419 WeakPolarHBondContact CA-OG1 3.38Å; Y416-T419 PolarHBondContact O-OG1 2.94Å; I417-T419 VanDerWaalsContact C-N 3.3Å; I417-T419 PolarHBondContact O-N 3.29Å; T419-A421 VanDerWaalsContact C-N 3.33Å; T419-A421 PolarHBondContact O-N 3.2Å; T419-A422 PolarHBondContact O-N 3.41Å; T419-F423 WeakPolarHBondContact O-CB 3.37Å; T419-F423 PolarHBondContact O-N 3.06Å
420A85.1Confident85.6Confident15 Ų1547.1 Ų47.112%0.12424%0.244CC..Hα-helixtrans-59.8-42.9175.300000111.6I281 L283 Y416 I417 G424I281-A420 HydrophobicContact CG2-CB 4.16Å; L283-A420 VanDerWaalsContact O-O 3.05Å; Y416-A420 WeakPolarHBondContact O-CB 3.48Å; Y416-A420 PolarHBondContact O-N 3.48Å; I417-A420 PolarHBondContact O-N 3.48Å; A420-G424 VanDerWaalsContact O-CA 3.32Å; A420-G424 WeakPolarHBondContact O-CA 3.25Å; A420-G424 PolarHBondContact O-N 3.31Å
421A83.8Confident85.8Confident0 Ų045.3 Ų45.30%023%0.232CC..Hα-helixtrans-71-45.7179.300000113.3Y285 T286 S376 I380 I417 T419 F423 G424 G425Y285-A421 HydrophobicContact CD1-CB 4.43Å; T286-A421 HydrophobicContact CG2-CB 4.15Å; S376-A421 PolarHBondContact OG-O 2.97Å; I380-A421 HydrophobicContact CD1-CB 3.01Å; I380-A421 HydrophobicContact CG1-CB 3.8Å; I417-A421 WeakPolarHBondContact O-CB 3.48Å; I417-A421 PolarHBondContact O-N 3.29Å; T419-A421 VanDerWaalsContact C-N 3.33Å; T419-A421 PolarHBondContact O-N 3.2Å; A421-F423 VanDerWaalsContact C-N 3.35Å; A421-F423 PolarHBondContact O-N 3.12Å; A421-G424 PolarHBondContact O-N 3.37Å; A421-G425 PolarHBondContact O-N 3.27Å
422A85.9Confident85.8Confident20 Ų2038.6 Ų38.617%0.16520%0.201CC..Hα-helixtrans-61.2-45.6177.500000111.7K377 P418 T419 L426K377-A422 HydrophobicContact CD-CB 4.41Å; K377-A422 HydrophobicContact CG-CB 4.23Å; P418-A422 VanDerWaalsContact O-CB 3.23Å; P418-A422 WeakPolarHBondContact O-CB 3.4Å; P418-A422 PolarHBondContact O-N 3.44Å; T419-A422 PolarHBondContact O-N 3.41Å; A422-L426 WeakPolarHBondContact O-CB 3.16Å; A422-L426 PolarHBondContact O-N 2.68Å
423F87.8Confident85.8Confident115 Ų11536.8 Ų36.850%0.50419%0.193SC..Hα-helixtrans-71.3-37.3178.8-171.9-100.2000111.8L283 T419 A421 L426 C427L283-F423 HydrophobicContact CD1-CD1 3.69Å; L283-F423 HydrophobicContact CD1-CE1 4.06Å; L283-F423 HydrophobicContact CG-CD1 4.49Å; T419-F423 WeakPolarHBondContact O-CB 3.37Å; T419-F423 PolarHBondContact O-N 3.06Å; A421-F423 VanDerWaalsContact C-N 3.35Å; A421-F423 PolarHBondContact O-N 3.12Å; F423-L426 PolarHBondContact O-N 3.27Å; F423-C427 WeakPolarHBondContact CE1-SG 3.46Å; F423-C427 WeakPolarHBondContact O-CB 3.32Å; F423-C427 PolarHBondContact O-N 3.03Å; F423-C427 PolarHBondContact O-SG 3.12Å
424G84.4Confident85.9Confident1 Ų139.7 Ų39.71%0.0121%0.207CC..Hα-helixtrans-61.7-47.7173.800000112L283 A420 A421 L426 C427 I428L283-G424 WeakPolarHBondContact O-CA 3.41Å; A420-G424 VanDerWaalsContact O-CA 3.32Å; A420-G424 WeakPolarHBondContact O-CA 3.25Å; A420-G424 PolarHBondContact O-N 3.31Å; A421-G424 PolarHBondContact O-N 3.37Å; G424-L426 VanDerWaalsContact C-N 3.32Å; G424-L426 PolarHBondContact O-N 3.01Å; G424-C427 PolarHBondContact O-N 2.95Å; G424-I428 VanDerWaalsContact O-CB 3.31Å; G424-I428 WeakPolarHBondContact O-CB 3.49Å; G424-I428 VanDerWaalsContact O-CG1 3.22Å; G424-I428 WeakPolarHBondContact O-CG1 3.39Å; G424-I428 PolarHBondContact O-N 2.69Å
425G85Confident85.7Confident1 Ų135.2 Ų35.21%0.0118%0.183CC..Hα-helixtrans-61-38.8174.500000112.9C372 A421 G429C372-G425 WeakPolarHBondContact CB-O 3.45Å; A421-G425 PolarHBondContact O-N 3.27Å; G425-G429 PolarHBondContact O-N 3.46Å
426L88.3Confident85.3Confident80 Ų8028 Ų2842%0.41916%0.158SC..Hα-helixtrans-66.5-47.8174.9-167.2160000111.6L369 A422 F423 G424 I428 G429 G430L369-L426 HydrophobicContact CD2-CD2 3.76Å; L369-L426 HydrophobicContact CD2-CG 3.81Å; L369-L426 VanDerWaalsContact CD2-O 3.22Å; L369-L426 WeakPolarHBondContact CD2-O 3.42Å; A422-L426 WeakPolarHBondContact O-CB 3.16Å; A422-L426 PolarHBondContact O-N 2.68Å; F423-L426 PolarHBondContact O-N 3.27Å; G424-L426 VanDerWaalsContact C-N 3.32Å; G424-L426 PolarHBondContact O-N 3.01Å; L426-I428 VanDerWaalsContact C-N 3.31Å; L426-I428 PolarHBondContact O-N 3.47Å; L426-G429 PolarHBondContact O-N 2.98Å; L426-G430 PolarHBondContact O-N 2.94Å
427C87.1Confident84.9Confident21 Ų2126.6 Ų26.614%0.14215%0.153CC..Hα-helixtrans-60.1-43.1177.8-70.80000111.5F284 F423 G424 G430 L431F284-C427 HydrophobicContact CE1-CB 4.19Å; F423-C427 WeakPolarHBondContact CE1-SG 3.46Å; F423-C427 WeakPolarHBondContact O-CB 3.32Å; F423-C427 PolarHBondContact O-N 3.03Å; F423-C427 PolarHBondContact O-SG 3.12Å; G424-C427 PolarHBondContact O-N 2.95Å; C427-G430 PolarHBondContact O-N 3.3Å; C427-L431 WeakPolarHBondContact O-CB 3.38Å; C427-L431 VanDerWaalsContact O-CG 3.27Å; C427-L431 WeakPolarHBondContact O-CG 3.34Å; C427-L431 PolarHBondContact O-N 2.93Å
428I84.6Confident84.5Confident4 Ų429.8 Ų29.82%0.02117%0.17CC..Hα-helixtrans-58.9-49.8174.7-78.3176000111.2F284 I291 G424 L426 G430 L431 S432F284-I428 HydrophobicContact CB-CD1 4.38Å; F284-I428 HydrophobicContact CD1-CD1 3.49Å; F284-I428 VanDerWaalsContact CD1-CD1 3.49Å; F284-I428 HydrophobicContact CD1-CG1 3.43Å; F284-I428 VanDerWaalsContact CD1-CG1 3.43Å; F284-I428 HydrophobicContact CE1-CD1 3.99Å; F284-I428 HydrophobicContact CE1-CG1 3.35Å; F284-I428 HydrophobicContact CG-CD1 4.09Å; F284-I428 HydrophobicContact CG-CG1 4.32Å; F284-I428 HydrophobicContact CZ-CG1 4.15Å; I291-I428 HydrophobicContact CD1-CB 4.4Å; I291-I428 HydrophobicContact CD1-CG2 3.03Å; I291-I428 HydrophobicContact CG1-CG2 3.09Å; G424-I428 VanDerWaalsContact O-CB 3.31Å; G424-I428 WeakPolarHBondContact O-CB 3.49Å; G424-I428 VanDerWaalsContact O-CG1 3.22Å; G424-I428 WeakPolarHBondContact O-CG1 3.39Å; G424-I428 PolarHBondContact O-N 2.69Å; L426-I428 VanDerWaalsContact C-N 3.31Å; L426-I428 PolarHBondContact O-N 3.47Å; I428-G430 VanDerWaalsContact C-N 3.32Å; I428-G430 PolarHBondContact O-N 3.29Å; I428-L431 PolarHBondContact O-N 3.49Å; I428-S432 PolarHBondContact O-N 2.99Å
429G85.2Confident83.8Confident1 Ų128.7 Ų28.71%0.0117%0.167CC..Hα-helixtrans-60.2-43.5178.200000111.5G425 L426 L431 S432 V433G425-G429 PolarHBondContact O-N 3.46Å; L426-G429 PolarHBondContact O-N 2.98Å; G429-L431 PolarHBondContact O-N 2.83Å; G429-S432 PolarHBondContact O-N 3.34Å; G429-V433 VanDerWaalsContact O-CG2 3.3Å; G429-V433 WeakPolarHBondContact O-CG2 3.2Å; G429-V433 PolarHBondContact O-N 3.37Å
430G87.6Confident83.2Confident30 Ų3025.2 Ų25.231%0.30915%0.146SC..Hα-helixtrans-62.7-41.8176.500000113.3L426 C427 I428 V433 M434L426-G430 PolarHBondContact O-N 2.94Å; C427-G430 PolarHBondContact O-N 3.3Å; I428-G430 VanDerWaalsContact C-N 3.32Å; I428-G430 PolarHBondContact O-N 3.29Å; G430-V433 PolarHBondContact O-N 2.86Å; G430-M434 WeakPolarHBondContact O-CB 3.36Å; G430-M434 PolarHBondContact O-N 2.91Å
431L86.9Confident82.3Confident12 Ų1225.2 Ų25.26%0.06314%0.144CC..Hα-helixtrans-65.6-37.5175.8-73.6171.3000112V254 V255 F258 F284 C427 I428 G429 M434 A435 L448V254-L431 HydrophobicContact CG1-CD2 3.67Å; V255-L431 HydrophobicContact CG2-CD1 4.29Å; F258-L431 HydrophobicContact CB-CD1 4.45Å; F258-L431 HydrophobicContact CD2-CD1 3.99Å; F258-L431 HydrophobicContact CD2-CD2 4.15Å; F258-L431 HydrophobicContact CE2-CD2 4.15Å; F258-L431 HydrophobicContact CG-CD1 4.39Å; F284-L431 HydrophobicContact CZ-CD1 4.3Å; C427-L431 WeakPolarHBondContact O-CB 3.38Å; C427-L431 VanDerWaalsContact O-CG 3.27Å; C427-L431 WeakPolarHBondContact O-CG 3.34Å; C427-L431 PolarHBondContact O-N 2.93Å; I428-L431 PolarHBondContact O-N 3.49Å; G429-L431 PolarHBondContact O-N 2.83Å; L431-M434 HydrophobicContact CD2-CE 3.8Å; L431-A435 WeakPolarHBondContact O-CB 3.24Å; L431-A435 PolarHBondContact O-N 2.95Å; L431-L448 HydrophobicContact CB-CD1 3.82Å
432S83.9Confident81.3Confident2 Ų226.3 Ų26.31%0.01416%0.155CC..Hα-helixtrans-63-50.2174.7-1710000111I428 G429 M434 A435 D436 T445I428-S432 PolarHBondContact O-N 2.99Å; G429-S432 PolarHBondContact O-N 3.34Å; S432-M434 VanDerWaalsContact C-N 3.31Å; S432-M434 PolarHBondContact O-N 3.43Å; S432-A435 WeakPolarHBondContact O-CB 3.27Å; S432-A435 PolarHBondContact O-N 3.06Å; S432-A435 VanDerWaalsContact O-N 3.08Å; S432-D436 VanDerWaalsContact O-CG 3.3Å; S432-D436 PolarHBondContact O-N 3.09Å; S432-D436 VanDerWaalsContact O-OD2 3.13Å; S432-T445 WeakPolarHBondContact OG-CG2 3.46Å; S432-T445 PolarHBondContact OG-N 3.25Å
433V85.1Confident80.7Confident7 Ų726.8 Ų26.84%0.04216%0.157CC..Hα-helixtrans-62.6-40.2-179.7176.40000111.3Y364 I365 M368 G429 G430 A435 D436 F437Y364-V433 HydrophobicContact CD1-CG1 4.35Å; Y364-V433 HydrophobicContact CD1-CG2 4.41Å; Y364-V433 HydrophobicContact CE1-CB 4.41Å; Y364-V433 HydrophobicContact CE1-CG1 4.09Å; Y364-V433 HydrophobicContact CE1-CG2 3.8Å; I365-V433 HydrophobicContact CG1-CG1 3.78Å; M368-V433 HydrophobicContact CB-CG2 3.74Å; M368-V433 HydrophobicContact CG-CG2 3.98Å; G429-V433 VanDerWaalsContact O-CG2 3.3Å; G429-V433 WeakPolarHBondContact O-CG2 3.2Å; G429-V433 PolarHBondContact O-N 3.37Å; G430-V433 PolarHBondContact O-N 2.86Å; V433-A435 VanDerWaalsContact C-N 3.31Å; V433-A435 PolarHBondContact O-N 3.28Å; V433-D436 PolarHBondContact O-N 3.48Å; V433-F437 HydrophobicContact CG1-CD1 4.22Å; V433-F437 HydrophobicContact CG1-CD2 3.9Å; V433-F437 HydrophobicContact CG1-CE1 3.71Å; V433-F437 HydrophobicContact CG1-CE2 3.37Å; V433-F437 HydrophobicContact CG1-CG 4.32Å; V433-F437 HydrophobicContact CG1-CZ 3.27Å; V433-F437 WeakPolarHBondContact O-CB 3.41Å; V433-F437 WeakPolarHBondContact O-CG 3.38Å; V433-F437 PolarHBondContact O-N 2.74Å
434M84.2Confident80Confident61 Ų6121.3 Ų21.330%0.313%0.133SC..Hα-helixtrans-61.4-40.8174.2-174.2-177.773.200111.8V251 V254 G430 L431 S432 L438V251-M434 HydrophobicContact CG2-CE 4.49Å; V254-M434 HydrophobicContact CG1-CE 4.34Å; G430-M434 WeakPolarHBondContact O-CB 3.36Å; G430-M434 PolarHBondContact O-N 2.91Å; L431-M434 HydrophobicContact CD2-CE 3.8Å; S432-M434 VanDerWaalsContact C-N 3.31Å; S432-M434 PolarHBondContact O-N 3.43Å; M434-L438 HydrophobicContact CG-CD1 4.13Å; M434-L438 WeakPolarHBondContact O-CB 3.36Å; M434-L438 VanDerWaalsContact O-CG 3.26Å; M434-L438 WeakPolarHBondContact O-CG 3.27Å; M434-L438 PolarHBondContact O-N 3.38Å; M434-L438 VanDerWaalsContact O-N 3.08Å
435A82.8Confident79.7Confident0 Ų021.9 Ų21.90%014%0.136CC..Hα-helixtrans-68.3-38.5178.100000112.4V251 L431 S432 V433 L438 G439 A440 G444V251-A435 HydrophobicContact CB-CB 4.47Å; V251-A435 HydrophobicContact CG1-CB 3.77Å; V251-A435 HydrophobicContact CG2-CB 3.91Å; L431-A435 WeakPolarHBondContact O-CB 3.24Å; L431-A435 PolarHBondContact O-N 2.95Å; S432-A435 WeakPolarHBondContact O-CB 3.27Å; S432-A435 PolarHBondContact O-N 3.06Å; S432-A435 VanDerWaalsContact O-N 3.08Å; V433-A435 VanDerWaalsContact C-N 3.31Å; V433-A435 PolarHBondContact O-N 3.28Å; A435-L438 PolarHBondContact O-N 3.04Å; A435-G439 PolarHBondContact O-N 3.34Å; A435-A440 HydrophobicContact CB-CB 4.37Å; A435-A440 WeakPolarHBondContact O-CB 3.28Å; A435-A440 PolarHBondContact O-N 3.39Å; A435-A440 VanDerWaalsContact O-N 3.09Å; A435-G444 VanDerWaalsContact CB-CA 3.46Å
436D79.1Confident79.3Confident19 Ų1921.8 Ų21.810%0.10214%0.136CC..Hα-helixtrans-65.5-43.7175.3-65.1-36000110.9P347 Y364 S432 V433 L438 G439 G444P347-D436 HydrophobicContact CB-CB 4.36Å; Y364-D436 PolarHBondContact OH-OD2 3.37Å; S432-D436 VanDerWaalsContact O-CG 3.3Å; S432-D436 PolarHBondContact O-N 3.09Å; S432-D436 VanDerWaalsContact O-OD2 3.13Å; V433-D436 PolarHBondContact O-N 3.48Å; D436-L438 VanDerWaalsContact C-N 3.35Å; D436-L438 PolarHBondContact O-N 3.32Å; D436-G439 PolarHBondContact O-N 2.82Å; D436-G444 VanDerWaalsContact OD1-CA 3.26Å; D436-G444 WeakPolarHBondContact OD1-CA 3.31Å; D436-G444 PolarHBondContact OD1-N 2.94Å
437F77.8Confident79Confident42 Ų4218.1 Ų18.118%0.18412%0.116CC..Hα-helixtrans-66.4-32.6178-68-9.9000114.2P348 V354 Y364 I365 V433 G439P348-F437 HydrophobicContact CG-CD1 3.84Å; P348-F437 HydrophobicContact CG-CE1 3.39Å; P348-F437 HydrophobicContact CG-CZ 4.46Å; V354-F437 HydrophobicContact CG2-CD1 4.11Å; V354-F437 HydrophobicContact CG2-CE1 4.15Å; Y364-F437 HydrophobicContact CD1-CE1 4.29Å; Y364-F437 HydrophobicContact CE1-CE1 4.49Å; I365-F437 HydrophobicContact CD1-CE2 3.77Å; I365-F437 HydrophobicContact CD1-CZ 3.75Å; I365-F437 HydrophobicContact CG1-CE2 4.03Å; I365-F437 HydrophobicContact CG1-CZ 3.72Å; V433-F437 HydrophobicContact CG1-CD1 4.22Å; V433-F437 HydrophobicContact CG1-CD2 3.9Å; V433-F437 HydrophobicContact CG1-CE1 3.71Å; V433-F437 HydrophobicContact CG1-CE2 3.37Å; V433-F437 HydrophobicContact CG1-CG 4.32Å; V433-F437 HydrophobicContact CG1-CZ 3.27Å; V433-F437 WeakPolarHBondContact O-CB 3.41Å; V433-F437 WeakPolarHBondContact O-CG 3.38Å; V433-F437 PolarHBondContact O-N 2.74Å; F437-G439 PolarHBondContact O-N 3.12Å
438L76.5Confident78.7Confident68 Ų6817.1 Ų17.136%0.35611%0.11SC..THydrogen-bonded Turntrans-76.2-5.2175-70.7172.2000112.7A247 F250 V251 M434 A435 D436A247-L438 HydrophobicContact CB-CB 3.95Å; F250-L438 HydrophobicContact CD1-CD1 4.31Å; V251-L438 HydrophobicContact CG2-CD1 4.02Å; M434-L438 HydrophobicContact CG-CD1 4.13Å; M434-L438 WeakPolarHBondContact O-CB 3.36Å; M434-L438 VanDerWaalsContact O-CG 3.26Å; M434-L438 WeakPolarHBondContact O-CG 3.27Å; M434-L438 PolarHBondContact O-N 3.38Å; M434-L438 VanDerWaalsContact O-N 3.08Å; A435-L438 PolarHBondContact O-N 3.04Å; D436-L438 VanDerWaalsContact C-N 3.35Å; D436-L438 PolarHBondContact O-N 3.32Å
439G72.2Confident78.6Confident20 Ų2017 Ų1721%0.20611%0.109CC..THydrogen-bonded Turntrans68.833.2-178.900000113N244 A435 D436 F437N244-G439 WeakPolarHBondContact CB-O 3.49Å; N244-G439 PolarHBondContact ND2-O 3.27Å; A435-G439 PolarHBondContact O-N 3.34Å; D436-G439 PolarHBondContact O-N 2.82Å; F437-G439 PolarHBondContact O-N 3.12Å
440A73.1Confident78.6Confident11 Ų1117.2 Ų17.29%0.09111%0.11CC..  trans-61138.7-177.200000112A435 G442 I447A435-A440 HydrophobicContact CB-CB 4.37Å; A435-A440 WeakPolarHBondContact O-CB 3.28Å; A435-A440 PolarHBondContact O-N 3.39Å; A435-A440 VanDerWaalsContact O-N 3.09Å; A440-G442 PolarHBondContact O-N 3.44Å; A440-I447 HydrophobicContact CB-CD1 3.48Å; A440-I447 VanDerWaalsContact CB-CD1 3.48Å
441I67.9Low78.5Confident15 Ų1515.9 Ų15.98%0.07710%0.097CC..THydrogen-bonded Turntrans-69.9123.6-177.5-55.2176.8000110K194 P240 N244 L245 T248 I447K194-I441 HydrophobicContact CB-CG2 3.44Å; K194-I441 VanDerWaalsContact CB-CG2 3.44Å; K194-I441 HydrophobicContact CG-CG2 3.97Å; P240-I441 HydrophobicContact CB-CD1 4.31Å; N244-I441 HydrophobicContact CB-CD1 4.18Å; N244-I441 HydrophobicContact CB-CG1 3.72Å; L245-I441 HydrophobicContact CB-CD1 3.93Å; T248-I441 PolarHBondContact OG1-N 3.16Å; I441-I447 VanDerWaalsContact O-CD1 3.29Å; I441-I447 WeakPolarHBondContact O-CD1 3.46Å
442G61.3Low78.3Confident22 Ų2215.4 Ų15.423%0.2279%0.094CC..THydrogen-bonded Turntrans101.916.8174.800000116A440A440-G442 PolarHBondContact O-N 3.44Å
443S73.8Confident78.3Confident30 Ų3015.6 Ų15.621%0.2110%0.095CC..  trans68.5135.7-172.5-171.70000112.6T445 G446 I447S443-T445 PolarHBondContact O-N 2.91Å; S443-T445 PolarHBondContact OG-OG1 3.25Å; S443-G446 PolarHBondContact O-N 2.86Å; S443-G446 VanDerWaalsContact O-N 3.09Å; S443-I447 PolarHBondContact O-N 2.99Å
444G72.7Confident78.4Confident0 Ų019 Ų190%011%0.112CC..Hα-helixtrans-58.6-39178.100000112.2A435 D436 L448A435-G444 VanDerWaalsContact CB-CA 3.46Å; D436-G444 VanDerWaalsContact OD1-CA 3.26Å; D436-G444 WeakPolarHBondContact OD1-CA 3.31Å; D436-G444 PolarHBondContact OD1-N 2.94Å; G444-L448 PolarHBondContact O-N 3.12Å
445T77.8Confident78.4Confident13 Ų1319.1 Ų19.18%0.0811%0.109CC..Hα-helixtrans-61.4-46.417353.50000112.3I291 S432 S443 L448 L449I291-T445 HydrophobicContact CG2-CG2 4.18Å; S432-T445 WeakPolarHBondContact OG-CG2 3.46Å; S432-T445 PolarHBondContact OG-N 3.25Å; S443-T445 PolarHBondContact O-N 2.91Å; S443-T445 PolarHBondContact OG-OG1 3.25Å; T445-L448 PolarHBondContact O-N 3.39Å; T445-L449 VanDerWaalsContact O-CG 3.26Å; T445-L449 WeakPolarHBondContact O-CG 3.41Å; T445-L449 PolarHBondContact O-N 3.42Å; T445-L449 VanDerWaalsContact O-N 3.08Å
446G77.3Confident78.3Confident0 Ų021.7 Ų21.70%012%0.121CC..Hα-helixtrans-62.1-50.1-179.400000111.8I187 S443 L448 L449 A450I187-G446 WeakPolarHBondContact CD1-O 3.48Å; S443-G446 PolarHBondContact O-N 2.86Å; S443-G446 VanDerWaalsContact O-N 3.09Å; G446-L448 VanDerWaalsContact C-N 3.32Å; G446-L448 PolarHBondContact O-N 2.81Å; G446-L449 PolarHBondContact O-N 3.37Å; G446-L449 VanDerWaalsContact O-N 3.15Å; G446-A450 PolarHBondContact O-N 2.88Å
447I81.3Confident78.4Confident2 Ų222.2 Ų22.21%0.0112%0.122CC..Hα-helixtrans-56.6-48.2179.1-65.5158.3000110.7I191 T248 V251 A440 I441 S443 L449 A450 V451I191-I447 HydrophobicContact CD1-CG1 4.19Å; T248-I447 HydrophobicContact CG2-CD1 3.81Å; T248-I447 HydrophobicContact CG2-CG1 4.24Å; V251-I447 HydrophobicContact CG1-CG2 4.35Å; A440-I447 HydrophobicContact CB-CD1 3.48Å; A440-I447 VanDerWaalsContact CB-CD1 3.48Å; I441-I447 VanDerWaalsContact O-CD1 3.29Å; I441-I447 WeakPolarHBondContact O-CD1 3.46Å; S443-I447 PolarHBondContact O-N 2.99Å; I447-L449 VanDerWaalsContact C-N 3.32Å; I447-L449 PolarHBondContact O-N 3.43Å; I447-A450 PolarHBondContact O-N 3.47Å; I447-V451 HydrophobicContact CG2-CG2 4.04Å; I447-V451 WeakPolarHBondContact O-CG2 3.29Å; I447-V451 PolarHBondContact O-N 3.46Å
448L82Confident78.7Confident0 Ų025.9 Ų25.90%014%0.138CC..Hα-helixtrans-57.5-44.1178.4-110.6157.5000112.4V255 I291 L431 G444 T445 G446 T452V255-L448 HydrophobicContact CG1-CD2 3.83Å; V255-L448 HydrophobicContact CG2-CD2 3.93Å; V255-L448 HydrophobicContact CG2-CG 4.01Å; I291-L448 HydrophobicContact CD1-CB 4.42Å; L431-L448 HydrophobicContact CB-CD1 3.82Å; G444-L448 PolarHBondContact O-N 3.12Å; T445-L448 PolarHBondContact O-N 3.39Å; G446-L448 VanDerWaalsContact C-N 3.32Å; G446-L448 PolarHBondContact O-N 2.81Å; L448-T452 WeakPolarHBondContact O-CB 3.34Å; L448-T452 PolarHBondContact O-N 2.68Å; L448-T452 VanDerWaalsContact O-N 3.07Å; L448-T452 PolarHBondContact O-OG1 2.97Å; L448-T452 VanDerWaalsContact O-OG1 3.05Å
449L82.1Confident78.8Confident3 Ų325.6 Ų25.62%0.01614%0.135CC..Hα-helixtrans-61.3-49177.1-68.7176.3000111.1I187 N288 I291 I292 T445 G446 I447 T452 I453I187-L449 HydrophobicContact CD1-CB 4.4Å; N288-L449 HydrophobicContact CB-CD2 3.59Å; N288-L449 PolarHBondContact ND2-O 3.18Å; I291-L449 HydrophobicContact CB-CD2 4.3Å; I291-L449 HydrophobicContact CD1-CD2 4.31Å; I291-L449 HydrophobicContact CG2-CD2 4.47Å; I292-L449 HydrophobicContact CD1-CD2 4.02Å; I292-L449 HydrophobicContact CG1-CD1 4.06Å; I292-L449 HydrophobicContact CG1-CD2 3.55Å; I292-L449 HydrophobicContact CG1-CG 4.48Å; T445-L449 VanDerWaalsContact O-CG 3.26Å; T445-L449 WeakPolarHBondContact O-CG 3.41Å; T445-L449 PolarHBondContact O-N 3.42Å; T445-L449 VanDerWaalsContact O-N 3.08Å; G446-L449 PolarHBondContact O-N 3.37Å; G446-L449 VanDerWaalsContact O-N 3.15Å; I447-L449 VanDerWaalsContact C-N 3.32Å; I447-L449 PolarHBondContact O-N 3.43Å; L449-T452 PolarHBondContact O-N 3.04Å; L449-I453 WeakPolarHBondContact O-CB 3.36Å; L449-I453 VanDerWaalsContact O-CD1 3.3Å; L449-I453 WeakPolarHBondContact O-CD1 3.4Å; L449-I453 WeakPolarHBondContact O-CG1 3.3Å; L449-I453 PolarHBondContact O-N 2.81Å
450A84.8Confident79.1Confident4 Ų427.9 Ų27.93%0.03314%0.142CC..Hα-helixtrans-61-48.1-179.700000112.1I187 G446 I447 T452 I453 I454I187-A450 HydrophobicContact CB-CB 4.11Å; I187-A450 HydrophobicContact CD1-CB 4.28Å; I187-A450 HydrophobicContact CG2-CB 3.78Å; G446-A450 PolarHBondContact O-N 2.88Å; I447-A450 PolarHBondContact O-N 3.47Å; A450-T452 PolarHBondContact O-N 2.67Å; A450-I453 PolarHBondContact O-N 3.26Å; A450-I454 WeakPolarHBondContact O-CB 3.26Å; A450-I454 VanDerWaalsContact O-CG1 3.24Å; A450-I454 WeakPolarHBondContact O-CG1 3.37Å; A450-I454 PolarHBondContact O-N 3.42Å
451V85.9Confident79.4Confident3 Ų330.9 Ų30.92%0.01815%0.153CC..Hα-helixtrans-59.3-49.9179.5-176.80000110.8F252 V255 I256 I447 I453 I454 Y455F252-V451 HydrophobicContact CD2-CB 4.34Å; F252-V451 HydrophobicContact CD2-CG1 4.42Å; F252-V451 HydrophobicContact CD2-CG2 3.18Å; F252-V451 HydrophobicContact CE2-CB 4.2Å; F252-V451 HydrophobicContact CE2-CG1 4.21Å; F252-V451 HydrophobicContact CE2-CG2 3.41Å; F252-V451 VanDerWaalsContact CE2-CG2 3.41Å; F252-V451 HydrophobicContact CG-CG2 4.06Å; F252-V451 HydrophobicContact CZ-CG2 4.46Å; V255-V451 HydrophobicContact CB-CB 4.49Å; V255-V451 HydrophobicContact CB-CG1 4.12Å; V255-V451 HydrophobicContact CG1-CB 3.86Å; V255-V451 HydrophobicContact CG1-CG1 3.63Å; V255-V451 HydrophobicContact CG1-CG2 4.41Å; I256-V451 HydrophobicContact CD1-CG1 4.45Å; I256-V451 HydrophobicContact CG1-CG1 3.66Å; I447-V451 HydrophobicContact CG2-CG2 4.04Å; I447-V451 WeakPolarHBondContact O-CG2 3.29Å; I447-V451 PolarHBondContact O-N 3.46Å; V451-I453 VanDerWaalsContact C-N 3.35Å; V451-I453 PolarHBondContact O-N 3.43Å; V451-I454 PolarHBondContact O-N 2.91Å; V451-Y455 WeakPolarHBondContact O-CB 3.31Å; V451-Y455 PolarHBondContact O-N 3.22Å
452T82.6Confident80Confident1 Ų133.2 Ų33.21%0.00617%0.168CC..Hα-helixtrans-67.9-36.9-175.9-59.10000111.6Q259 N288 L448 L449 A450 Y455 Q456Q259-T452 PolarHBondContact OE1-OG1 3.42Å; N288-T452 VanDerWaalsContact CG-CG2 3.46Å; N288-T452 VanDerWaalsContact ND2-CB 3.3Å; N288-T452 WeakPolarHBondContact ND2-CB 3.45Å; N288-T452 WeakPolarHBondContact ND2-CG2 3.19Å; N288-T452 WeakPolarHBondContact OD1-CB 3.38Å; N288-T452 WeakPolarHBondContact OD1-CG2 3.46Å; N288-T452 PolarHBondContact OD1-OG1 2.93Å; L448-T452 WeakPolarHBondContact O-CB 3.34Å; L448-T452 PolarHBondContact O-N 2.68Å; L448-T452 VanDerWaalsContact O-N 3.07Å; L448-T452 PolarHBondContact O-OG1 2.97Å; L448-T452 VanDerWaalsContact O-OG1 3.05Å; L449-T452 PolarHBondContact O-N 3.04Å; A450-T452 PolarHBondContact O-N 2.67Å; T452-Y455 PolarHBondContact O-N 2.88Å; T452-Q456 HydrophobicContact CG2-CG 4.46Å; T452-Q456 WeakPolarHBondContact O-CB 3.37Å; T452-Q456 VanDerWaalsContact O-CG 3.25Å; T452-Q456 WeakPolarHBondContact O-CG 3.44Å; T452-Q456 PolarHBondContact O-N 3.11Å
453I84.3Confident80.8Confident6 Ų638.3 Ų38.33%0.03118%0.184CC..Hα-helixtrans-62.6-50.4174.1-69.8162.4000109.7S180 I183 A184 L449 A450 V451 Y455 Q456 Y457S180-I453 WeakPolarHBondContact O-CD1 3.36Å; I183-I453 HydrophobicContact CG2-CD1 4.42Å; A184-I453 HydrophobicContact CB-CB 4.17Å; A184-I453 HydrophobicContact CB-CD1 4.31Å; A184-I453 HydrophobicContact CB-CG2 3.84Å; L449-I453 WeakPolarHBondContact O-CB 3.36Å; L449-I453 VanDerWaalsContact O-CD1 3.3Å; L449-I453 WeakPolarHBondContact O-CD1 3.4Å; L449-I453 WeakPolarHBondContact O-CG1 3.3Å; L449-I453 PolarHBondContact O-N 2.81Å; A450-I453 PolarHBondContact O-N 3.26Å; V451-I453 VanDerWaalsContact C-N 3.35Å; V451-I453 PolarHBondContact O-N 3.43Å; I453-Y455 VanDerWaalsContact C-N 3.27Å; I453-Y455 PolarHBondContact O-N 3.4Å; I453-Q456 WeakPolarHBondContact O-CB 3.48Å; I453-Q456 PolarHBondContact O-N 3.33Å; I453-Q456 VanDerWaalsContact O-N 3.15Å; I453-Y457 HydrophobicContact CG2-CD2 3.78Å; I453-Y457 HydrophobicContact CG2-CE2 3.89Å; I453-Y457 VanDerWaalsContact O-CD2 3.29Å; I453-Y457 WeakPolarHBondContact O-CD2 3.18Å; I453-Y457 PolarHBondContact O-N 3.38Å
454I86.8Confident80.9Confident78 Ų7839 Ų3940%0.418%0.184SC..Hα-helixtrans-58.7-41.6179.3-67.8167000110.8A450 V451 Y457 F458A450-I454 WeakPolarHBondContact O-CB 3.26Å; A450-I454 VanDerWaalsContact O-CG1 3.24Å; A450-I454 WeakPolarHBondContact O-CG1 3.37Å; A450-I454 PolarHBondContact O-N 3.42Å; V451-I454 PolarHBondContact O-N 2.91Å; I454-Y457 WeakPolarHBondContact O-CB 3.36Å; I454-Y457 PolarHBondContact O-N 3.09Å; I454-F458 WeakPolarHBondContact O-CB 3.46Å; I454-F458 PolarHBondContact O-N 3.48Å
455Y84.2Confident80.9Confident64 Ų6444.2 Ų44.225%0.25121%0.208SC..Hα-helixtrans-65.4-42.1177.4-170.1-86.3000112.5Q259 V451 T452 I453 Y457 F458 E459Q259-Y455 HydrophobicContact CB-CD1 4.36Å; Q259-Y455 HydrophobicContact CB-CD2 4.42Å; Q259-Y455 HydrophobicContact CB-CE1 4.43Å; Q259-Y455 HydrophobicContact CB-CE2 4.49Å; Q259-Y455 HydrophobicContact CB-CG 4.34Å; Q259-Y455 HydrophobicContact CG-CD1 3.25Å; Q259-Y455 HydrophobicContact CG-CD2 4.03Å; Q259-Y455 HydrophobicContact CG-CE1 3.58Å; Q259-Y455 HydrophobicContact CG-CE2 4.3Å; Q259-Y455 HydrophobicContact CG-CG 3.49Å; Q259-Y455 VanDerWaalsContact CG-CG 3.49Å; V451-Y455 WeakPolarHBondContact O-CB 3.31Å; V451-Y455 PolarHBondContact O-N 3.22Å; T452-Y455 PolarHBondContact O-N 2.88Å; I453-Y455 VanDerWaalsContact C-N 3.27Å; I453-Y455 PolarHBondContact O-N 3.4Å; Y455-Y457 VanDerWaalsContact C-N 3.3Å; Y455-Y457 PolarHBondContact O-N 3.15Å; Y455-F458 WeakPolarHBondContact O-CB 3.26Å; Y455-F458 PolarHBondContact O-N 3.47Å; Y455-E459 PolarHBondContact O-N 3.49Å
456Q80.6Confident80.7Confident54 Ų5446.9 Ų46.925%0.25223%0.227SC..Hα-helixtrans-59.5-43.2174.3-75.9177-17.900111.4S287 T452 I453 E459 I460S287-Q456 VanDerWaalsContact CB-NE2 3.34Å; S287-Q456 PolarHBondContact OG-NE2 3.14Å; S287-Q456 VanDerWaalsContact OG-NE2 3.09Å; T452-Q456 HydrophobicContact CG2-CG 4.46Å; T452-Q456 WeakPolarHBondContact O-CB 3.37Å; T452-Q456 VanDerWaalsContact O-CG 3.25Å; T452-Q456 WeakPolarHBondContact O-CG 3.44Å; T452-Q456 PolarHBondContact O-N 3.11Å; I453-Q456 WeakPolarHBondContact O-CB 3.48Å; I453-Q456 PolarHBondContact O-N 3.33Å; I453-Q456 VanDerWaalsContact O-N 3.15Å; Q456-E459 PolarHBondContact O-N 3.2Å; Q456-I460 VanDerWaalsContact O-CG1 3.31Å; Q456-I460 WeakPolarHBondContact O-CG1 3.31Å; Q456-I460 PolarHBondContact O-N 3.22Å
457Y81.2Confident80.2Confident31 Ų3152.2 Ų52.212%0.12225%0.252CS..Hα-helixtrans-62.8-43.6175-93.7-98.2000112.5L175 G176 S177 L181 I453 I454 Y455 E459 I460 F461L175-Y457 HydrophobicContact CB-CD1 4.23Å; L175-Y457 HydrophobicContact CB-CE1 4.05Å; L175-Y457 WeakPolarHBondContact O-CE1 3.35Å; L175-Y457 VanDerWaalsContact O-CZ 3.31Å; L175-Y457 PolarHBondContact O-OH 3.36Å; G176-Y457 WeakPolarHBondContact CA-OH 3.48Å; S177-Y457 PolarHBondContact N-OH 3.2Å; S177-Y457 PolarHBondContact O-OH 2.9Å; L181-Y457 HydrophobicContact CD1-CE1 4.07Å; I453-Y457 HydrophobicContact CG2-CD2 3.78Å; I453-Y457 HydrophobicContact CG2-CE2 3.89Å; I453-Y457 VanDerWaalsContact O-CD2 3.29Å; I453-Y457 WeakPolarHBondContact O-CD2 3.18Å; I453-Y457 PolarHBondContact O-N 3.38Å; I454-Y457 WeakPolarHBondContact O-CB 3.36Å; I454-Y457 PolarHBondContact O-N 3.09Å; Y455-Y457 VanDerWaalsContact C-N 3.3Å; Y455-Y457 PolarHBondContact O-N 3.15Å; Y457-E459 VanDerWaalsContact C-N 3.3Å; Y457-E459 PolarHBondContact O-N 2.82Å; Y457-I460 PolarHBondContact O-N 3.04Å; Y457-F461 VanDerWaalsContact O-CB 3.26Å; Y457-F461 WeakPolarHBondContact O-CB 3.33Å; Y457-F461 PolarHBondContact O-N 3.06Å
458F83.9Confident79.2Confident119 Ų11957 Ų5752%0.52228%0.275SS..Hα-helixtrans-59.6-40.7175174.1-100.9000111.8I454 Y455 F461 V462I454-F458 WeakPolarHBondContact O-CB 3.46Å; I454-F458 PolarHBondContact O-N 3.48Å; Y455-F458 WeakPolarHBondContact O-CB 3.26Å; Y455-F458 PolarHBondContact O-N 3.47Å; F458-F461 WeakPolarHBondContact O-CB 3.36Å; F458-F461 PolarHBondContact O-N 3.28Å; F458-V462 HydrophobicContact CD1-CG2 4.31Å; F458-V462 HydrophobicContact CD2-CG2 4.34Å; F458-V462 HydrophobicContact CE1-CG2 3.84Å; F458-V462 HydrophobicContact CE2-CG2 3.88Å; F458-V462 HydrophobicContact CZ-CG2 3.61Å; F458-V462 VanDerWaalsContact O-CG2 3.32Å; F458-V462 WeakPolarHBondContact O-CG2 3.04Å; F458-V462 PolarHBondContact O-N 2.99Å
459E79.8Confident77.9Confident61 Ų6159.3 Ų59.329%0.28530%0.3SS..Hα-helixtrans-69.9-39.1178.4-166.5178.4155.300112.7K282 Y455 Q456 Y457 F461 V462 K463K282-E459 WeakPolarHBondContact CE-OE1 3.35Å; K282-E459 WeakPolarHBondContact CE-OE2 3.24Å; K282-E459 IonicContact NZ-OE1 3.89Å; K282-E459 PolarHBondContact NZ-OE1 3.21Å; K282-E459 IonicContact NZ-OE2 2.65Å; K282-E459 PolarHBondContact NZ-OE2 3.02Å; Y455-E459 PolarHBondContact O-N 3.49Å; Q456-E459 PolarHBondContact O-N 3.2Å; Y457-E459 VanDerWaalsContact C-N 3.3Å; Y457-E459 PolarHBondContact O-N 2.82Å; E459-F461 VanDerWaalsContact C-N 3.29Å; E459-F461 PolarHBondContact O-N 2.94Å; E459-V462 PolarHBondContact O-N 3.37Å; E459-K463 VanDerWaalsContact O-CB 3.28Å; E459-K463 WeakPolarHBondContact O-CB 3.45Å; E459-K463 PolarHBondContact O-N 3.43Å
460I78.5Confident76.3Confident68 Ų6862.5 Ų62.535%0.34932%0.322SS..Hα-helixtrans-60.5-44.4171.6-67.5165.5000109.8Q456 Y457 K463 E464Q456-I460 VanDerWaalsContact O-CG1 3.31Å; Q456-I460 WeakPolarHBondContact O-CG1 3.31Å; Q456-I460 PolarHBondContact O-N 3.22Å; Y457-I460 PolarHBondContact O-N 3.04Å; I460-K463 PolarHBondContact O-N 3.34Å; I460-E464 HydrophobicContact CG2-CG 4.5Å; I460-E464 PolarHBondContact O-N 3.35Å
461F79.1Confident74.2Confident74 Ų7468.5 Ų68.533%0.32535%0.351SS..Hα-helixtrans-58.3-51.2177.4-174.8-72.7000111.3F28 V32 Y457 F458 E459 K463 E464 Q465F28-F461 HydrophobicContact CE1-CD2 4.08Å; F28-F461 HydrophobicContact CE1-CE1 4.18Å; F28-F461 AromaticContact CE1-CE2 3.5Å; F28-F461 HydrophobicContact CE1-CE2 3.5Å; F28-F461 AromaticContact CE1-CZ 3.55Å; F28-F461 HydrophobicContact CE1-CZ 3.55Å; F28-F461 HydrophobicContact CE2-CD2 4.09Å; F28-F461 HydrophobicContact CE2-CE2 4.35Å; F28-F461 HydrophobicContact CE2-CG 4.34Å; F28-F461 HydrophobicContact CZ-CB 4.46Å; F28-F461 AromaticContact CZ-CD1 3.94Å; F28-F461 HydrophobicContact CZ-CD1 3.94Å; F28-F461 AromaticContact CZ-CD2 3.27Å; F28-F461 HydrophobicContact CZ-CD2 3.27Å; F28-F461 AromaticContact CZ-CE1 3.88Å; F28-F461 HydrophobicContact CZ-CE1 3.88Å; F28-F461 AromaticContact CZ-CE2 3.19Å; F28-F461 HydrophobicContact CZ-CE2 3.19Å; F28-F461 AromaticContact CZ-CG 3.63Å; F28-F461 HydrophobicContact CZ-CG 3.63Å; F28-F461 AromaticContact CZ-CZ 3.51Å; F28-F461 HydrophobicContact CZ-CZ 3.51Å; V32-F461 HydrophobicContact CG2-CE2 4.36Å; Y457-F461 VanDerWaalsContact O-CB 3.26Å; Y457-F461 WeakPolarHBondContact O-CB 3.33Å; Y457-F461 PolarHBondContact O-N 3.06Å; F458-F461 WeakPolarHBondContact O-CB 3.36Å; F458-F461 PolarHBondContact O-N 3.28Å; E459-F461 VanDerWaalsContact C-N 3.29Å; E459-F461 PolarHBondContact O-N 2.94Å; F461-K463 VanDerWaalsContact C-N 3.32Å; F461-K463 PolarHBondContact O-N 2.89Å; F461-E464 PolarHBondContact O-N 2.96Å; F461-Q465 VanDerWaalsContact O-CB 3.29Å; F461-Q465 WeakPolarHBondContact O-CB 3.38Å; F461-Q465 PolarHBondContact O-N 2.98Å
462V80.9Confident71.9Confident64 Ų6470 Ų7039%0.38837%0.367SS..Hα-helixtrans-63.2-40.2178.8170.50000111.1F458 E459 Q465 S466F458-V462 HydrophobicContact CD1-CG2 4.31Å; F458-V462 HydrophobicContact CD2-CG2 4.34Å; F458-V462 HydrophobicContact CE1-CG2 3.84Å; F458-V462 HydrophobicContact CE2-CG2 3.88Å; F458-V462 HydrophobicContact CZ-CG2 3.61Å; F458-V462 VanDerWaalsContact O-CG2 3.32Å; F458-V462 WeakPolarHBondContact O-CG2 3.04Å; F458-V462 PolarHBondContact O-N 2.99Å; E459-V462 PolarHBondContact O-N 3.37Å; V462-Q465 PolarHBondContact O-N 3.5Å; V462-S466 WeakPolarHBondContact O-CB 3.34Å; V462-S466 PolarHBondContact O-N 2.85Å; V462-S466 PolarHBondContact O-OG 3.34Å
463K78.2Confident69.8Low130 Ų13073.6 Ų73.657%0.56540%0.397SS*.Hα-helixtrans-65.4-49.9178.8-171179.5176.3-174.60111.6E459 I460 F461 Q465 S466 E467E459-K463 VanDerWaalsContact O-CB 3.28Å; E459-K463 WeakPolarHBondContact O-CB 3.45Å; E459-K463 PolarHBondContact O-N 3.43Å; I460-K463 PolarHBondContact O-N 3.34Å; F461-K463 VanDerWaalsContact C-N 3.32Å; F461-K463 PolarHBondContact O-N 2.89Å; K463-Q465 VanDerWaalsContact C-N 3.31Å; K463-Q465 PolarHBondContact O-N 3.09Å; K463-S466 PolarHBondContact O-N 3.43Å; K463-S466 PolarHBondContact O-OG 3.08Å; K463-E467 WeakPolarHBondContact CE-OE1 3.42Å; K463-E467 WeakPolarHBondContact O-CG 3.49Å; K463-E467 PolarHBondContact O-N 3.19Å
464E75.3Confident67.6Low45 Ų4580.1 Ų80.121%0.2143%0.431CS..Hα-helixtrans-61.5-40.1176.7-74-163.7153.800111.5F28 K31 L175 I460 F461 E467 M468F28-E464 HydrophobicContact CD2-CB 4.06Å; F28-E464 VanDerWaalsContact CD2-OE2 3.26Å; F28-E464 WeakPolarHBondContact CD2-OE2 3.27Å; F28-E464 HydrophobicContact CE2-CB 4.02Å; K31-E464 IonicContact NZ-OE1 2.71Å; K31-E464 PolarHBondContact NZ-OE1 2.82Å; K31-E464 IonicContact NZ-OE2 2.65Å; L175-E464 VanDerWaalsContact CD2-OE2 3.26Å; L175-E464 WeakPolarHBondContact CD2-OE2 3.15Å; I460-E464 HydrophobicContact CG2-CG 4.5Å; I460-E464 PolarHBondContact O-N 3.35Å; F461-E464 PolarHBondContact O-N 2.96Å; E464-E467 PolarHBondContact O-N 3.37Å; E464-M468 WeakPolarHBondContact O-CG 3.41Å; E464-M468 PolarHBondContact O-N 3Å
465Q72.9Confident65.3Low109 Ų10983 Ų8351%0.50945%0.446SS..Hα-helixtrans-65.5-38.6176-169.5179.3-1.500112.1F461 V462 K463 M468 G469F461-Q465 VanDerWaalsContact O-CB 3.29Å; F461-Q465 WeakPolarHBondContact O-CB 3.38Å; F461-Q465 PolarHBondContact O-N 2.98Å; V462-Q465 PolarHBondContact O-N 3.5Å; K463-Q465 VanDerWaalsContact C-N 3.31Å; K463-Q465 PolarHBondContact O-N 3.09Å; Q465-M468 PolarHBondContact O-N 3.22Å; Q465-G469 PolarHBondContact O-N 2.93Å
466S72.7Confident63Low68 Ų6892 Ų9248%0.47649%0.488SS..Hα-helixtrans-66.8-37.5175.675.80000112.2V462 K463 G469 S470V462-S466 WeakPolarHBondContact O-CB 3.34Å; V462-S466 PolarHBondContact O-N 2.85Å; V462-S466 PolarHBondContact O-OG 3.34Å; K463-S466 PolarHBondContact O-N 3.43Å; K463-S466 PolarHBondContact O-OG 3.08Å; S466-G469 PolarHBondContact O-N 3.46Å; S466-S470 VanDerWaalsContact O-CB 3.27Å; S466-S470 WeakPolarHBondContact O-CB 3.37Å; S466-S470 PolarHBondContact O-N 3.48Å
467E67.4Low62.1Low113 Ų11394 Ų9453%0.52850%0.5SS..Hα-helixtrans-65.4-41.9174.4-73.4177.1-170.600110.4K463 E464 M471K463-E467 WeakPolarHBondContact CE-OE1 3.42Å; K463-E467 WeakPolarHBondContact O-CG 3.49Å; K463-E467 PolarHBondContact O-N 3.19Å; E464-E467 PolarHBondContact O-N 3.37Å; E467-M471 WeakPolarHBondContact O-CB 3.31Å; E467-M471 PolarHBondContact O-N 2.99Å
468M60.6Low61.1Low101 Ų10197.3 Ų97.350%0.49852%0.519SS..Hα-helixtrans-66.8-40.1173.8-70.6-178.178.600113.2F28 E464 Q465 M471 G472F28-M468 HydrophobicContact CB-CE 4.08Å; F28-M468 HydrophobicContact CB-SD 3.33Å; F28-M468 WeakPolarHBondContact CB-SD 3.46Å; F28-M468 HydrophobicContact CG-SD 4.1Å; E464-M468 WeakPolarHBondContact O-CG 3.41Å; E464-M468 PolarHBondContact O-N 3Å; Q465-M468 PolarHBondContact O-N 3.22Å; M468-M471 PolarHBondContact O-N 2.94Å; M468-G472 PolarHBondContact O-N 3.2Å
469G54.8Low59.8Low50 Ų5096.1 Ų96.152%0.51552%0.519SS..Hα-helixtrans-66.5-3817700000112.6Q465 S466 G472 A473Q465-G469 PolarHBondContact O-N 2.93Å; S466-G469 PolarHBondContact O-N 3.46Å; G469-G472 PolarHBondContact O-N 3.5Å; G469-A473 PolarHBondContact O-N 2.85Å; G469-A473 VanDerWaalsContact O-N 3.12Å
470S47.7Very low58.6Low69 Ų6998.1 Ų98.148%0.48353%0.533SS..Hα-helixtrans-65.7-39172-1780000111.9S466 G472 A473 L474S466-S470 VanDerWaalsContact O-CB 3.27Å; S466-S470 WeakPolarHBondContact O-CB 3.37Å; S466-S470 PolarHBondContact O-N 3.48Å; S470-G472 VanDerWaalsContact C-N 3.34Å; S470-A473 PolarHBondContact O-N 3.43Å; S470-L474 PolarHBondContact O-N 3.5Å; S470-L474 VanDerWaalsContact O-N 3.16Å
471M40.4Very low57.4Low131 Ų131100 Ų10065%0.64555%0.545SS*.Hα-helixtrans-69.4-31.2176.1-140.2168.4156.700112.6E467 M468 L474 L475E467-M471 WeakPolarHBondContact O-CB 3.31Å; E467-M471 PolarHBondContact O-N 2.99Å; M468-M471 PolarHBondContact O-N 2.94Å; M471-L474 PolarHBondContact O-N 2.98Å; M471-L475 PolarHBondContact O-N 3.28Å
472G38Very low55.9Low34 Ų34101.7 Ų101.735%0.35156%0.559SS.*Hα-helixtrans-67.4-37.4170.700000113.1M468 G469 S470 L474 L475 F476M468-G472 PolarHBondContact O-N 3.2Å; G469-G472 PolarHBondContact O-N 3.5Å; S470-G472 VanDerWaalsContact C-N 3.34Å; G472-L474 VanDerWaalsContact C-N 3.32Å; G472-L474 PolarHBondContact O-N 2.91Å; G472-L475 PolarHBondContact O-N 3.15Å; G472-F476 WeakPolarHBondContact O-CD2 3.49Å
473A39.3Very low54.2Low77 Ų77104.4 Ų104.464%0.63657%0.571SS**Hα-helixtrans-74.5-18.7176.400000113.9G469 S470G469-A473 PolarHBondContact O-N 2.85Å; G469-A473 VanDerWaalsContact O-N 3.12Å; S470-A473 PolarHBondContact O-N 3.43Å
474L37.8Very low52.3Low142 Ų142102.5 Ų102.574%0.74357%0.572SS**THydrogen-bonded Turntrans-85.9-11.8174-84.9161.1000113.5S470 M471 G472S470-L474 PolarHBondContact O-N 3.5Å; S470-L474 VanDerWaalsContact O-N 3.16Å; M471-L474 PolarHBondContact O-N 2.98Å; G472-L474 VanDerWaalsContact C-N 3.32Å; G472-L474 PolarHBondContact O-N 2.91Å
475L37.9Very low50.4Low138 Ų138107.3 Ų107.372%0.72360%0.602SS**  trans-108.810.3-177.2-78171.2000113.8M471 G472M471-L475 PolarHBondContact O-N 3.28Å; G472-L475 PolarHBondContact O-N 3.15Å
476F35.1Very low48.3Very low255 Ų255107.1 Ų107.1100%1.11861%0.611SS**  trans-122.50172.7-84.2-74.4000112.4G472G472-F476 WeakPolarHBondContact O-CD2 3.49Å

Retrieved 476 of 476 residues in 3387.4 ms (Link to these results)

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