A0A077Z6I8_TRITR Loading...

Gamma-secretase subunit PEN-2

AlphaFold DB , UniProt , Accession A0A077Z6I8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 100 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
1M62.2Low82.6Confident56 Ų5687.1 Ų87.128%0.27642%0.415SS..  0-33.20-146.750.716700114.1R3 L4 K9 I12 W34 F35M1-R3 PolarHBondContact O-N 3.21Å; M1-R3 VanDerWaalsContact O-N 3.14Å; M1-L4 HydrophobicContact CE-CD1 4.17Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 HydrophobicContact SD-CD1 3.58Å; M1-L4 VanDerWaalsContact SD-CD1 3.58Å; M1-L4 HydrophobicContact SD-CG 4.47Å; M1-K9 HydrophobicContact CE-CB 4.16Å; M1-K9 HydrophobicContact CE-CG 3.83Å; M1-K9 HydrophobicContact CG-CG 4.38Å; M1-K9 WeakPolarHBondContact O-CE 3.43Å; M1-K9 HydrophobicContact SD-CG 4.43Å; M1-I12 HydrophobicContact CE-CD1 4.08Å; M1-I12 HydrophobicContact CE-CG2 4.47Å; M1-W34 HydrophobicContact SD-CZ2 4.46Å; M1-F35 HydrophobicContact CE-CD1 4.4Å; M1-F35 HydrophobicContact CE-CE1 3.28Å; M1-F35 HydrophobicContact CE-CE2 4.32Å; M1-F35 HydrophobicContact CE-CZ 3.24Å
2N70.5Confident83.4Confident147 Ų14783.3 Ų83.379%0.78640%0.398SS*.THydrogen-bonded Turntrans-63.6-21.4-175.2-61.9-10.1000115.2
3R77.8Confident84Confident250 Ų25076.8 Ų76.894%0.94337%0.367SS*.THydrogen-bonded Turntrans-83-10.8179.4-60-174.4-174.3176.21.4114.5M1M1-R3 PolarHBondContact O-N 3.21Å; M1-R3 VanDerWaalsContact O-N 3.14Å
4L82.2Confident84.6Confident67 Ų6777.4 Ų77.435%0.35137%0.367SS..SBendtrans-85.1143.4-178.7-65.9-178.8000111.1M1 E8 K9 I12M1-L4 HydrophobicContact CE-CD1 4.17Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 HydrophobicContact SD-CD1 3.58Å; M1-L4 VanDerWaalsContact SD-CD1 3.58Å; M1-L4 HydrophobicContact SD-CG 4.47Å; L4-E8 HydrophobicContact CB-CB 4.44Å; L4-K9 HydrophobicContact CB-CG 4.1Å; L4-K9 WeakPolarHBondContact O-CE 3.19Å; L4-K9 PolarHBondContact O-NZ 3.37Å; L4-I12 HydrophobicContact CD1-CD1 3.68Å
5P84.2Confident85.2Confident75 Ų7577.9 Ų77.949%0.48737%0.373SS..  trans-54.5150.5166.3-23.233.1000111.7T7 E8 K9P5-T7 VanDerWaalsContact C-N 3.27Å; P5-T7 PolarHBondContact O-N 2.96Å; P5-E8 HydrophobicContact CB-CB 4.41Å; P5-E8 HydrophobicContact CB-CG 4.35Å; P5-E8 HydrophobicContact CG-CG 4.27Å; P5-E8 WeakPolarHBondContact O-CB 3.43Å; P5-E8 PolarHBondContact O-N 3.13Å; P5-E8 VanDerWaalsContact O-N 3.15Å; P5-K9 PolarHBondContact O-N 2.91Å; P5-K9 VanDerWaalsContact O-N 3.14Å
6D84Confident85.6Confident40 Ų4077.4 Ų77.421%0.21437%0.366CS..Hα-helixtrans-68-28.6-176.4-68.5-24.9000113.1K9 L10 R42 F46D6-K9 PolarHBondContact O-N 3.15Å; D6-K9 WeakPolarHBondContact OD1-CD 3.42Å; D6-K9 IonicContact OD1-NZ 3.8Å; D6-K9 PolarHBondContact OD1-NZ 3.3Å; D6-L10 PolarHBondContact O-N 2.85Å; D6-L10 VanDerWaalsContact O-N 3.14Å; D6-R42 VanDerWaalsContact CG-NH2 3.3Å; D6-R42 IonicContact OD1-CZ 3.22Å; D6-R42 VanDerWaalsContact OD1-CZ 3.22Å; D6-R42 IonicContact OD1-NH1 2.85Å; D6-R42 PolarHBondContact OD1-NH1 2.94Å; D6-R42 IonicContact OD1-NH2 2.91Å; D6-R42 PolarHBondContact OD1-NH2 3.31Å; D6-R42 IonicContact OD2-CZ 3.63Å; D6-R42 IonicContact OD2-NH1 2.97Å; D6-R42 IonicContact OD2-NH2 2.85Å; D6-R42 PolarHBondContact OD2-NH2 2.99Å; D6-F46 HydrophobicContact CB-CD2 3.74Å; D6-F46 HydrophobicContact CB-CE2 4.03Å
7T86.8Confident86Confident85 Ų8575.1 Ų75.152%0.52135%0.354SS..Hα-helixtrans-63.8-41.1170.853.50000112.6P5 L10 R11P5-T7 VanDerWaalsContact C-N 3.27Å; P5-T7 PolarHBondContact O-N 2.96Å; T7-L10 PolarHBondContact O-N 2.88Å; T7-R11 PolarHBondContact O-N 2.94Å
8E89.5Confident86.4Confident58 Ų5874.8 Ų74.827%0.27136%0.358SS..Hα-helixtrans-67.5-39.3177.3-78.5-63.7158.500111.8L4 P5 L10 R11 I12L4-E8 HydrophobicContact CB-CB 4.44Å; P5-E8 HydrophobicContact CB-CB 4.41Å; P5-E8 HydrophobicContact CB-CG 4.35Å; P5-E8 HydrophobicContact CG-CG 4.27Å; P5-E8 WeakPolarHBondContact O-CB 3.43Å; P5-E8 PolarHBondContact O-N 3.13Å; P5-E8 VanDerWaalsContact O-N 3.15Å; E8-L10 VanDerWaalsContact C-N 3.33Å; E8-L10 PolarHBondContact O-N 3.39Å; E8-R11 PolarHBondContact O-N 3.42Å; E8-R11 IonicContact OE1-CZ 3.65Å; E8-R11 VanDerWaalsContact OE1-CZ 3.29Å; E8-R11 IonicContact OE1-NE 3.65Å; E8-R11 IonicContact OE1-NH1 2.88Å; E8-R11 IonicContact OE1-NH2 3.73Å; E8-R11 PolarHBondContact OE1-NH2 3.02Å; E8-R11 VanDerWaalsContact OE1-NH2 3.08Å; E8-R11 IonicContact OE2-CZ 3.29Å; E8-R11 IonicContact OE2-NE 3.82Å; E8-R11 PolarHBondContact OE2-NE 3.16Å; E8-R11 IonicContact OE2-NH2 3.08Å; E8-R11 PolarHBondContact OE2-NH2 3.37Å; E8-I12 WeakPolarHBondContact O-CG1 3.35Å; E8-I12 PolarHBondContact O-N 3.12Å
9K88Confident86.7Confident3 Ų375.8 Ų75.81%0.01336%0.361CS..Hα-helixtrans-59.5-44.5174.1-67.1170.1-180148.40111.4M1 L4 P5 D6 I12 C13 F35 Q38 I52M1-K9 HydrophobicContact CE-CB 4.16Å; M1-K9 HydrophobicContact CE-CG 3.83Å; M1-K9 HydrophobicContact CG-CG 4.38Å; M1-K9 WeakPolarHBondContact O-CE 3.43Å; M1-K9 HydrophobicContact SD-CG 4.43Å; L4-K9 HydrophobicContact CB-CG 4.1Å; L4-K9 WeakPolarHBondContact O-CE 3.19Å; L4-K9 PolarHBondContact O-NZ 3.37Å; P5-K9 PolarHBondContact O-N 2.91Å; P5-K9 VanDerWaalsContact O-N 3.14Å; D6-K9 PolarHBondContact O-N 3.15Å; D6-K9 WeakPolarHBondContact OD1-CD 3.42Å; D6-K9 IonicContact OD1-NZ 3.8Å; D6-K9 PolarHBondContact OD1-NZ 3.3Å; K9-I12 PolarHBondContact O-N 3.3Å; K9-C13 WeakPolarHBondContact O-CB 3.41Å; K9-C13 PolarHBondContact O-N 3.33Å; K9-F35 HydrophobicContact CB-CE1 4.16Å; K9-F35 WeakPolarHBondContact O-CE1 3.41Å; K9-Q38 VanDerWaalsContact CD-OE1 3.31Å; K9-I52 HydrophobicContact CB-CD1 4.38Å
10L90.5Very high86.9Confident23 Ų2372.1 Ų72.112%0.1234%0.343CS..Hα-helixtrans-63-42.6176.3179.364000111.7D6 T7 E8 I12 C13 K14 E48 I52 Y55D6-L10 PolarHBondContact O-N 2.85Å; D6-L10 VanDerWaalsContact O-N 3.14Å; T7-L10 PolarHBondContact O-N 2.88Å; E8-L10 VanDerWaalsContact C-N 3.33Å; E8-L10 PolarHBondContact O-N 3.39Å; L10-I12 PolarHBondContact O-N 2.98Å; L10-C13 PolarHBondContact O-N 3.45Å; L10-K14 HydrophobicContact CD1-CD 4.48Å; L10-K14 HydrophobicContact CD1-CG 4.34Å; L10-K14 HydrophobicContact CG-CD 4.3Å; L10-K14 WeakPolarHBondContact O-CG 3.47Å; L10-K14 PolarHBondContact O-N 2.85Å; L10-E48 HydrophobicContact CB-CB 4.33Å; L10-E48 HydrophobicContact CB-CG 4.45Å; L10-E48 HydrophobicContact CD2-CB 4.16Å; L10-E48 HydrophobicContact CD2-CG 3.94Å; L10-I52 HydrophobicContact CB-CD1 4.49Å; L10-I52 HydrophobicContact CB-CG1 4.36Å; L10-I52 HydrophobicContact CD1-CG1 3.79Å; L10-Y55 HydrophobicContact CD1-CD2 4.3Å; L10-Y55 HydrophobicContact CD1-CE2 4.38Å
11R92.6Very high87Confident154 Ų15473.8 Ų73.858%0.58135%0.354SS*.Hα-helixtrans-58.7-46.7177.1-175.1174.271.2160.54.2111.7T7 E8 K14 L15T7-R11 PolarHBondContact O-N 2.94Å; E8-R11 PolarHBondContact O-N 3.42Å; E8-R11 IonicContact OE1-CZ 3.65Å; E8-R11 VanDerWaalsContact OE1-CZ 3.29Å; E8-R11 IonicContact OE1-NE 3.65Å; E8-R11 IonicContact OE1-NH1 2.88Å; E8-R11 IonicContact OE1-NH2 3.73Å; E8-R11 PolarHBondContact OE1-NH2 3.02Å; E8-R11 VanDerWaalsContact OE1-NH2 3.08Å; E8-R11 IonicContact OE2-CZ 3.29Å; E8-R11 IonicContact OE2-NE 3.82Å; E8-R11 PolarHBondContact OE2-NE 3.16Å; E8-R11 IonicContact OE2-NH2 3.08Å; E8-R11 PolarHBondContact OE2-NH2 3.37Å; R11-K14 PolarHBondContact O-N 2.94Å; R11-L15 WeakPolarHBondContact O-CB 3.49Å; R11-L15 PolarHBondContact O-N 2.97Å
12I92.3Very high88.4Confident41 Ų4178.4 Ų78.421%0.2137%0.373CS..Hα-helixtrans-62.6-46.1177.5-66166.5000110.6M1 L4 E8 K9 L10 K14 L15 Y16 F35M1-I12 HydrophobicContact CE-CD1 4.08Å; M1-I12 HydrophobicContact CE-CG2 4.47Å; L4-I12 HydrophobicContact CD1-CD1 3.68Å; E8-I12 WeakPolarHBondContact O-CG1 3.35Å; E8-I12 PolarHBondContact O-N 3.12Å; K9-I12 PolarHBondContact O-N 3.3Å; L10-I12 PolarHBondContact O-N 2.98Å; I12-K14 PolarHBondContact O-N 2.84Å; I12-L15 PolarHBondContact O-N 3.23Å; I12-Y16 HydrophobicContact CG2-CD2 3.84Å; I12-Y16 HydrophobicContact CG2-CE2 3.72Å; I12-Y16 VanDerWaalsContact O-CD2 3.24Å; I12-Y16 WeakPolarHBondContact O-CD2 3.45Å; I12-Y16 PolarHBondContact O-N 3.15Å; I12-F35 HydrophobicContact CB-CZ 4.11Å; I12-F35 HydrophobicContact CG2-CE2 4.16Å; I12-F35 HydrophobicContact CG2-CZ 3.83Å
13C91.6Very high89.1Confident0 Ų072.9 Ų72.90%035%0.351CS..Hα-helixtrans-60.4-43.3179-173.70000112.2K9 L10 Y16 F17 N31 F35K9-C13 WeakPolarHBondContact O-CB 3.41Å; K9-C13 PolarHBondContact O-N 3.33Å; L10-C13 PolarHBondContact O-N 3.45Å; C13-Y16 PolarHBondContact O-N 2.93Å; C13-F17 WeakPolarHBondContact O-CB 3.33Å; C13-F17 PolarHBondContact O-N 3.04Å; C13-N31 PolarHBondContact O-ND2 3.41Å; C13-N31 PolarHBondContact SG-OD1 3.35Å; C13-F35 HydrophobicContact CB-CD1 4.32Å; C13-F35 HydrophobicContact CB-CD2 4.21Å; C13-F35 HydrophobicContact CB-CE1 4.05Å; C13-F35 HydrophobicContact CB-CE2 3.95Å; C13-F35 HydrophobicContact CB-CG 4.37Å; C13-F35 HydrophobicContact CB-CZ 3.85Å
14K92.6Very high89.7Confident85 Ų8564.5 Ų64.537%0.3732%0.324SS..Hα-helixtrans-62-44.2174-75.5-179.4177.4-178.30112L10 R11 I12 F17 V18 Y55L10-K14 HydrophobicContact CD1-CD 4.48Å; L10-K14 HydrophobicContact CD1-CG 4.34Å; L10-K14 HydrophobicContact CG-CD 4.3Å; L10-K14 WeakPolarHBondContact O-CG 3.47Å; L10-K14 PolarHBondContact O-N 2.85Å; R11-K14 PolarHBondContact O-N 2.94Å; I12-K14 PolarHBondContact O-N 2.84Å; K14-F17 WeakPolarHBondContact O-CB 3.26Å; K14-F17 PolarHBondContact O-N 3.49Å; K14-V18 WeakPolarHBondContact O-CG2 3.41Å; K14-V18 PolarHBondContact O-N 3.21Å; K14-Y55 HydrophobicContact CD-CE2 4.17Å; K14-Y55 WeakPolarHBondContact CE-OH 3.25Å; K14-Y55 HydrophobicContact CG-CD2 4.09Å; K14-Y55 HydrophobicContact CG-CE1 4.28Å; K14-Y55 HydrophobicContact CG-CE2 3.59Å
15L93.5Very high90Very high85 Ų8562.5 Ų62.545%0.44532%0.315SS..Hα-helixtrans-63.3-44.3180-176.864.2000111.4R11 I12 F17 V18 F19R11-L15 WeakPolarHBondContact O-CB 3.49Å; R11-L15 PolarHBondContact O-N 2.97Å; I12-L15 PolarHBondContact O-N 3.23Å; L15-F17 VanDerWaalsContact C-N 3.32Å; L15-F17 PolarHBondContact O-N 2.94Å; L15-V18 PolarHBondContact O-N 3.45Å; L15-F19 HydrophobicContact CD1-CD2 4.06Å; L15-F19 HydrophobicContact CD1-CE2 3.52Å; L15-F19 HydrophobicContact CD1-CZ 3.88Å; L15-F19 HydrophobicContact CD2-CE2 3.78Å; L15-F19 HydrophobicContact CG-CD2 3.74Å; L15-F19 HydrophobicContact CG-CE2 3.36Å; L15-F19 HydrophobicContact CG-CZ 4.22Å; L15-F19 VanDerWaalsContact O-CD2 3.23Å; L15-F19 WeakPolarHBondContact O-CD2 3.12Å; L15-F19 PolarHBondContact O-N 2.69Å
16Y91.9Very high90.3Very high70 Ų7062.4 Ų62.428%0.27532%0.316SS..Hα-helixtrans-65.2-37.7176-84.1-126.5000111.6I12 C13 F19 G20 I27 V30 N31I12-Y16 HydrophobicContact CG2-CD2 3.84Å; I12-Y16 HydrophobicContact CG2-CE2 3.72Å; I12-Y16 VanDerWaalsContact O-CD2 3.24Å; I12-Y16 WeakPolarHBondContact O-CD2 3.45Å; I12-Y16 PolarHBondContact O-N 3.15Å; C13-Y16 PolarHBondContact O-N 2.93Å; Y16-F19 PolarHBondContact O-N 3.35Å; Y16-G20 PolarHBondContact O-N 3.14Å; Y16-I27 HydrophobicContact CD1-CG2 3.93Å; Y16-I27 HydrophobicContact CG-CG2 4.2Å; Y16-I27 VanDerWaalsContact O-CG2 3.28Å; Y16-I27 WeakPolarHBondContact O-CG2 3.23Å; Y16-V30 HydrophobicContact CE1-CG1 4.21Å; Y16-N31 HydrophobicContact CD1-CB 4.3Å
17F92.1Very high90.7Very high37 Ų3762.4 Ų62.416%0.16232%0.316CS..Hα-helixtrans-60.5-46.2173179.9-96.3000111.8C13 K14 L15 G20 L21 W28 Y55 L58 S59C13-F17 WeakPolarHBondContact O-CB 3.33Å; C13-F17 PolarHBondContact O-N 3.04Å; K14-F17 WeakPolarHBondContact O-CB 3.26Å; K14-F17 PolarHBondContact O-N 3.49Å; L15-F17 VanDerWaalsContact C-N 3.32Å; L15-F17 PolarHBondContact O-N 2.94Å; F17-G20 PolarHBondContact O-N 2.91Å; F17-L21 HydrophobicContact CE1-CD1 4.42Å; F17-W28 AromaticContact CD2-NE1 3.88Å; F17-W28 PolarHBondContact O-NE1 2.9Å; F17-Y55 HydrophobicContact CB-CD1 4.02Å; F17-Y55 AromaticContact CD1-CD1 3.87Å; F17-Y55 HydrophobicContact CD1-CD1 3.87Å; F17-Y55 AromaticContact CD1-CE1 3.93Å; F17-Y55 HydrophobicContact CD1-CE1 3.93Å; F17-Y55 HydrophobicContact CD2-CD1 4.08Å; F17-Y55 HydrophobicContact CE1-CD1 4.39Å; F17-Y55 HydrophobicContact CE1-CE1 4.34Å; F17-Y55 AromaticContact CG-CD1 3.7Å; F17-Y55 HydrophobicContact CG-CD1 3.7Å; F17-Y55 HydrophobicContact CG-CE1 4.23Å; F17-L58 HydrophobicContact CD2-CB 4.44Å; F17-L58 HydrophobicContact CE2-CB 3.63Å; F17-L58 HydrophobicContact CZ-CB 4.25Å; F17-S59 WeakPolarHBondContact CD2-OG 3.5Å
18V93Very high91Very high70 Ų7059.3 Ų59.342%0.42430%0.295SS..Hα-helixtrans-64.8-43.3176.9172.30000111.4K14 L15 G20 L21 F22K14-V18 WeakPolarHBondContact O-CG2 3.41Å; K14-V18 PolarHBondContact O-N 3.21Å; L15-V18 PolarHBondContact O-N 3.45Å; V18-G20 VanDerWaalsContact C-N 3.27Å; V18-G20 PolarHBondContact O-N 3.39Å; V18-L21 WeakPolarHBondContact O-CB 3.46Å; V18-L21 PolarHBondContact O-N 3.48Å; V18-F22 HydrophobicContact CG1-CE2 4.2Å; V18-F22 WeakPolarHBondContact O-CD2 3.46Å
19F92.6Very high91.2Very high95 Ų9560 Ų6042%0.41730%0.3SS..Hα-helixtrans-61-35.9176.8-78.3-49.9000112.9L15 Y16 L21 F22 I27L15-F19 HydrophobicContact CD1-CD2 4.06Å; L15-F19 HydrophobicContact CD1-CE2 3.52Å; L15-F19 HydrophobicContact CD1-CZ 3.88Å; L15-F19 HydrophobicContact CD2-CE2 3.78Å; L15-F19 HydrophobicContact CG-CD2 3.74Å; L15-F19 HydrophobicContact CG-CE2 3.36Å; L15-F19 HydrophobicContact CG-CZ 4.22Å; L15-F19 VanDerWaalsContact O-CD2 3.23Å; L15-F19 WeakPolarHBondContact O-CD2 3.12Å; L15-F19 PolarHBondContact O-N 2.69Å; Y16-F19 PolarHBondContact O-N 3.35Å; F19-L21 PolarHBondContact O-N 3.4Å; F19-F22 WeakPolarHBondContact O-CB 3.42Å; F19-F22 PolarHBondContact O-N 2.85Å; F19-F22 VanDerWaalsContact O-N 3.11Å; F19-I27 HydrophobicContact CB-CD1 3.86Å; F19-I27 HydrophobicContact CB-CG2 4.09Å
20G89.7Confident91.5Very high0 Ų063.2 Ų63.20%032%0.32CS..Hα-helixtrans-65.9-22175.600000114.3Y16 F17 V18 F22 G23 L24 W28Y16-G20 PolarHBondContact O-N 3.14Å; F17-G20 PolarHBondContact O-N 2.91Å; V18-G20 VanDerWaalsContact C-N 3.27Å; V18-G20 PolarHBondContact O-N 3.39Å; G20-F22 PolarHBondContact O-N 2.98Å; G20-G23 PolarHBondContact O-N 3.26Å; G20-L24 PolarHBondContact O-N 3.42Å; G20-W28 VanDerWaalsContact C-CE2 3.5Å
21L89.6Confident91.6Very high109 Ų10962.1 Ų62.157%0.57131%0.314SS*.Hα-helixtrans-66.9-21.2172.8-68.1168.4000112.9F17 V18 F19 G23 W28F17-L21 HydrophobicContact CE1-CD1 4.42Å; V18-L21 WeakPolarHBondContact O-CB 3.46Å; V18-L21 PolarHBondContact O-N 3.48Å; F19-L21 PolarHBondContact O-N 3.4Å; L21-G23 PolarHBondContact O-N 3.06Å; L21-W28 HydrophobicContact CD2-CH2 4.04Å; L21-W28 HydrophobicContact CD2-CZ2 3.59Å; L21-W28 HydrophobicContact CG-CZ2 3.92Å
22F91Very high91.6Very high153 Ų15354.8 Ų54.867%0.67129%0.286SS*.THydrogen-bonded Turntrans-77.928175-68.4-88.5000113V18 F19 G20 L24V18-F22 HydrophobicContact CG1-CE2 4.2Å; V18-F22 WeakPolarHBondContact O-CD2 3.46Å; F19-F22 WeakPolarHBondContact O-CB 3.42Å; F19-F22 PolarHBondContact O-N 2.85Å; F19-F22 VanDerWaalsContact O-N 3.11Å; G20-F22 PolarHBondContact O-N 2.98Å; F22-L24 HydrophobicContact CB-CD1 4.43Å
23G85.3Confident91.6Very high31 Ų3158.3 Ų58.332%0.3230%0.304SS..THydrogen-bonded Turntrans75.328.2177.900000114.1G20 L21 P25G20-G23 PolarHBondContact O-N 3.26Å; L21-G23 PolarHBondContact O-N 3.06Å; G23-P25 WeakPolarHBondContact O-CD 3.3Å
24L89.9Confident91.6Very high74 Ų7464.4 Ų64.439%0.38733%0.327SS..  trans-114.876.7-175.3-68.6162.8000110.4G20 F22 S26 I27G20-L24 PolarHBondContact O-N 3.42Å; F22-L24 HydrophobicContact CB-CD1 4.43Å; L24-S26 PolarHBondContact O-N 3.14Å; L24-I27 HydrophobicContact CB-CB 4.32Å; L24-I27 HydrophobicContact CB-CD1 3.74Å; L24-I27 HydrophobicContact CB-CG1 3.94Å; L24-I27 HydrophobicContact CD1-CD1 3.61Å; L24-I27 HydrophobicContact CG-CD1 4.22Å; L24-I27 WeakPolarHBondContact O-CB 3.32Å; L24-I27 PolarHBondContact O-N 2.92Å; L24-I27 VanDerWaalsContact O-N 3.07Å
25P89Confident91.5Very high25 Ų2560.3 Ų60.316%0.16231%0.31CS..Hα-helixtrans-63.9-26.7-17728-37.8000113.6G23 I27 W28 L29 W66 F70G23-P25 WeakPolarHBondContact O-CD 3.3Å; P25-I27 VanDerWaalsContact C-N 3.26Å; P25-I27 PolarHBondContact O-N 3.26Å; P25-W28 PolarHBondContact O-N 3.41Å; P25-L29 PolarHBondContact O-N 3.19Å; P25-W66 HydrophobicContact CB-CB 3.45Å; P25-W66 VanDerWaalsContact CB-CB 3.45Å; P25-W66 HydrophobicContact CB-CG 3.78Å; P25-W66 HydrophobicContact CG-CB 4.01Å; P25-W66 HydrophobicContact CG-CG 4.24Å; P25-F70 HydrophobicContact CG-CD2 4.43Å; P25-F70 HydrophobicContact CG-CE2 3.92Å
26S90.9Very high91.4Very high72 Ų7260.1 Ų60.150%0.50331%0.305SS..Hα-helixtrans-59.8-37.4174.4550000111.8L24 L29 V30L24-S26 PolarHBondContact O-N 3.14Å; S26-L29 PolarHBondContact O-N 3.14Å; S26-V30 VanDerWaalsContact O-CG2 3.31Å; S26-V30 WeakPolarHBondContact O-CG2 3.41Å; S26-V30 PolarHBondContact O-N 3.26Å
27I93.3Very high91.3Very high41 Ų4158.4 Ų58.421%0.2131%0.308CS..Hα-helixtrans-66.9-42.7177.3-62.8-177.9000110.6Y16 F19 L24 P25 L29 V30 N31Y16-I27 HydrophobicContact CD1-CG2 3.93Å; Y16-I27 HydrophobicContact CG-CG2 4.2Å; Y16-I27 VanDerWaalsContact O-CG2 3.28Å; Y16-I27 WeakPolarHBondContact O-CG2 3.23Å; F19-I27 HydrophobicContact CB-CD1 3.86Å; F19-I27 HydrophobicContact CB-CG2 4.09Å; L24-I27 HydrophobicContact CB-CB 4.32Å; L24-I27 HydrophobicContact CB-CD1 3.74Å; L24-I27 HydrophobicContact CB-CG1 3.94Å; L24-I27 HydrophobicContact CD1-CD1 3.61Å; L24-I27 HydrophobicContact CG-CD1 4.22Å; L24-I27 WeakPolarHBondContact O-CB 3.32Å; L24-I27 PolarHBondContact O-N 2.92Å; L24-I27 VanDerWaalsContact O-N 3.07Å; P25-I27 VanDerWaalsContact C-N 3.26Å; P25-I27 PolarHBondContact O-N 3.26Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 2.73Å; I27-V30 PolarHBondContact O-N 2.86Å; I27-N31 VanDerWaalsContact O-CB 3.32Å; I27-N31 WeakPolarHBondContact O-CB 3.27Å; I27-N31 PolarHBondContact O-N 3.07Å
28W93.1Very high91Very high20 Ų2057.4 Ų57.48%0.07631%0.305CS..Hα-helixtrans-62.1-40.1174.2-81.8-15000112.5F17 G20 L21 P25 N31 G32 S59 G62 A63 W66F17-W28 AromaticContact CD2-NE1 3.88Å; F17-W28 PolarHBondContact O-NE1 2.9Å; G20-W28 VanDerWaalsContact C-CE2 3.5Å; L21-W28 HydrophobicContact CD2-CH2 4.04Å; L21-W28 HydrophobicContact CD2-CZ2 3.59Å; L21-W28 HydrophobicContact CG-CZ2 3.92Å; P25-W28 PolarHBondContact O-N 3.41Å; W28-N31 PolarHBondContact O-N 3.49Å; W28-G32 PolarHBondContact O-N 2.88Å; W28-S59 WeakPolarHBondContact CB-O 3.25Å; W28-G62 VanDerWaalsContact CE3-CA 3.46Å; W28-G62 WeakPolarHBondContact CZ3-O 3.32Å; W28-A63 HydrophobicContact CB-CB 3.95Å; W28-W66 AromaticContact CE3-CD1 3.7Å; W28-W66 AromaticContact CZ3-CD1 3.3Å; W28-W66 AromaticContact CZ3-NE1 3.46Å
29L92.9Very high90.8Very high72 Ų7254.3 Ų54.338%0.37729%0.286SS..Hα-helixtrans-63.3-46.8175.7-17464.3000111.5P25 S26 I27 N31 G32 I33 A63P25-L29 PolarHBondContact O-N 3.19Å; S26-L29 PolarHBondContact O-N 3.14Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 2.73Å; L29-N31 PolarHBondContact O-N 3.46Å; L29-G32 PolarHBondContact O-N 2.89Å; L29-I33 HydrophobicContact CD1-CD1 3.92Å; L29-I33 HydrophobicContact CD1-CG1 4.33Å; L29-I33 HydrophobicContact CG-CD1 3.84Å; L29-I33 WeakPolarHBondContact O-CG1 3.18Å; L29-I33 PolarHBondContact O-N 3.41Å; L29-A63 HydrophobicContact CB-CB 4.38Å
30V93.9Very high90.7Very high71 Ų7152.8 Ų52.843%0.4328%0.279SS..Hα-helixtrans-61.1-44.8176.4171.20000111Y16 S26 I27 G32 I33 W34Y16-V30 HydrophobicContact CE1-CG1 4.21Å; S26-V30 VanDerWaalsContact O-CG2 3.31Å; S26-V30 WeakPolarHBondContact O-CG2 3.41Å; S26-V30 PolarHBondContact O-N 3.26Å; I27-V30 PolarHBondContact O-N 2.86Å; V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 3.16Å; V30-I33 PolarHBondContact O-N 3.48Å; V30-W34 HydrophobicContact CG1-CE3 4.3Å; V30-W34 WeakPolarHBondContact O-CB 2.98Å; V30-W34 PolarHBondContact O-N 2.94Å
31N93.7Very high90.6Very high0 Ų060.1 Ų60.10%031%0.312CS..Hα-helixtrans-58.2-47.7175.7-167.738000110.9C13 Y16 I27 W28 L29 F35 S59C13-N31 PolarHBondContact O-ND2 3.41Å; C13-N31 PolarHBondContact SG-OD1 3.35Å; Y16-N31 HydrophobicContact CD1-CB 4.3Å; I27-N31 VanDerWaalsContact O-CB 3.32Å; I27-N31 WeakPolarHBondContact O-CB 3.27Å; I27-N31 PolarHBondContact O-N 3.07Å; W28-N31 PolarHBondContact O-N 3.49Å; L29-N31 PolarHBondContact O-N 3.46Å; N31-F35 WeakPolarHBondContact O-CB 3.11Å; N31-F35 WeakPolarHBondContact O-CD2 3.35Å; N31-F35 PolarHBondContact O-N 3.45Å; N31-F35 VanDerWaalsContact O-N 3.07Å; N31-F35 WeakPolarHBondContact OD1-CD2 3.33Å; N31-F35 WeakPolarHBondContact OD1-CE2 3.41Å; N31-S59 PolarHBondContact ND2-OG 3.39Å
32G92.1Very high90.3Very high0 Ų058.3 Ų58.30%030%0.297CS..Hα-helixtrans-58-55.8178.500000112W28 L29 V30 F36W28-G32 PolarHBondContact O-N 2.88Å; L29-G32 PolarHBondContact O-N 2.89Å; V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 3.16Å; G32-F36 WeakPolarHBondContact O-CA 3.35Å; G32-F36 VanDerWaalsContact O-CB 3.23Å; G32-F36 WeakPolarHBondContact O-CB 3.41Å; G32-F36 PolarHBondContact O-N 2.92Å
33I92.7Very high89.8Confident115 Ų11558 Ų5859%0.5930%0.297SS*.Hα-helixtrans-64.7-46.1-176.9-66.1171.2000111.4L29 V30 F36L29-I33 HydrophobicContact CD1-CD1 3.92Å; L29-I33 HydrophobicContact CD1-CG1 4.33Å; L29-I33 HydrophobicContact CG-CD1 3.84Å; L29-I33 WeakPolarHBondContact O-CG1 3.18Å; L29-I33 PolarHBondContact O-N 3.41Å; V30-I33 PolarHBondContact O-N 3.48Å; I33-F36 WeakPolarHBondContact O-CB 3.13Å; I33-F36 PolarHBondContact O-N 2.81Å
34W90.6Very high89.8Confident127 Ų12761.4 Ų61.448%0.48131%0.314SS..Hα-helixtrans-69.5-41.8-174.3-168.1-1.3000112.2M1 V30M1-W34 HydrophobicContact SD-CZ2 4.46Å; V30-W34 HydrophobicContact CG1-CE3 4.3Å; V30-W34 WeakPolarHBondContact O-CB 2.98Å; V30-W34 PolarHBondContact O-N 2.94Å
35F91.4Very high89.5Confident0 Ų062.4 Ų62.40%033%0.325CS..Hα-helixtrans-87.2-7.8178.9-71-85.4000113.5M1 K9 I12 C13 N31 G37 Q38 A39 I52 V56M1-F35 HydrophobicContact CE-CD1 4.4Å; M1-F35 HydrophobicContact CE-CE1 3.28Å; M1-F35 HydrophobicContact CE-CE2 4.32Å; M1-F35 HydrophobicContact CE-CZ 3.24Å; K9-F35 HydrophobicContact CB-CE1 4.16Å; K9-F35 WeakPolarHBondContact O-CE1 3.41Å; I12-F35 HydrophobicContact CB-CZ 4.11Å; I12-F35 HydrophobicContact CG2-CE2 4.16Å; I12-F35 HydrophobicContact CG2-CZ 3.83Å; C13-F35 HydrophobicContact CB-CD1 4.32Å; C13-F35 HydrophobicContact CB-CD2 4.21Å; C13-F35 HydrophobicContact CB-CE1 4.05Å; C13-F35 HydrophobicContact CB-CE2 3.95Å; C13-F35 HydrophobicContact CB-CG 4.37Å; C13-F35 HydrophobicContact CB-CZ 3.85Å; N31-F35 WeakPolarHBondContact O-CB 3.11Å; N31-F35 WeakPolarHBondContact O-CD2 3.35Å; N31-F35 PolarHBondContact O-N 3.45Å; N31-F35 VanDerWaalsContact O-N 3.07Å; N31-F35 WeakPolarHBondContact OD1-CD2 3.33Å; N31-F35 WeakPolarHBondContact OD1-CE2 3.41Å; F35-G37 VanDerWaalsContact C-N 3.33Å; F35-G37 PolarHBondContact O-N 2.97Å; F35-Q38 PolarHBondContact O-N 3.39Å; F35-A39 WeakPolarHBondContact O-CB 3.38Å; F35-A39 PolarHBondContact O-N 3.42Å; F35-I52 HydrophobicContact CB-CG2 4.14Å; F35-I52 HydrophobicContact CD1-CG2 4.18Å; F35-I52 HydrophobicContact CG-CG2 4.49Å; F35-V56 HydrophobicContact CB-CG2 3.46Å; F35-V56 VanDerWaalsContact CB-CG2 3.46Å
36F91.6Very high89.3Confident81 Ų8162.3 Ų62.336%0.35532%0.322SS..Hα-helixtrans-52.2-50.1178.9-163.7-97.3000112.1G32 I33 Q38 A39 F40 F41 V56 L60G32-F36 WeakPolarHBondContact O-CA 3.35Å; G32-F36 VanDerWaalsContact O-CB 3.23Å; G32-F36 WeakPolarHBondContact O-CB 3.41Å; G32-F36 PolarHBondContact O-N 2.92Å; I33-F36 WeakPolarHBondContact O-CB 3.13Å; I33-F36 PolarHBondContact O-N 2.81Å; F36-Q38 VanDerWaalsContact C-N 3.29Å; F36-Q38 PolarHBondContact O-N 3.36Å; F36-A39 PolarHBondContact O-N 2.84Å; F36-F40 HydrophobicContact CD1-CD2 4.12Å; F36-F40 AromaticContact CD2-CD2 3.65Å; F36-F40 HydrophobicContact CD2-CD2 3.65Å; F36-F40 AromaticContact CD2-CE2 3.6Å; F36-F40 HydrophobicContact CD2-CE2 3.6Å; F36-F40 HydrophobicContact CE1-CD2 4.04Å; F36-F40 AromaticContact CE2-CD2 3.57Å; F36-F40 HydrophobicContact CE2-CD2 3.57Å; F36-F40 AromaticContact CE2-CE2 3.43Å; F36-F40 HydrophobicContact CE2-CE2 3.43Å; F36-F40 VanDerWaalsContact CE2-CE2 3.43Å; F36-F40 HydrophobicContact CE2-CZ 4.3Å; F36-F40 AromaticContact CG-CD2 3.93Å; F36-F40 HydrophobicContact CG-CD2 3.93Å; F36-F40 HydrophobicContact CG-CE2 4.32Å; F36-F40 AromaticContact CZ-CD2 3.77Å; F36-F40 HydrophobicContact CZ-CD2 3.77Å; F36-F40 HydrophobicContact CZ-CE2 4.03Å; F36-F40 HydrophobicContact CZ-CG 4.4Å; F36-F40 WeakPolarHBondContact O-CD2 3.48Å; F36-F40 PolarHBondContact O-N 3.31Å; F36-F41 AromaticContact CD1-CE2 3.98Å; F36-F41 HydrophobicContact CD1-CE2 3.98Å; F36-F41 AromaticContact CE1-CE2 3.88Å; F36-F41 HydrophobicContact CE1-CE2 3.88Å; F36-F41 HydrophobicContact CE1-CZ 4.22Å; F36-V56 HydrophobicContact CD2-CG1 4.32Å; F36-L60 HydrophobicContact CD2-CD1 4.18Å; F36-L60 HydrophobicContact CE2-CD1 4.35Å
37G88.6Confident89.1Confident33 Ų3364.4 Ų64.434%0.3433%0.334SS..Hα-helixtrans-64.4-33.818000000113.5F35 F41 R42F35-G37 VanDerWaalsContact C-N 3.33Å; F35-G37 PolarHBondContact O-N 2.97Å; G37-F41 CarbonylContact O-C 3.57Å; G37-F41 WeakPolarHBondContact O-CA 3.39Å; G37-F41 WeakPolarHBondContact O-CB 3.46Å; G37-F41 PolarHBondContact O-N 3.42Å; G37-R42 PolarHBondContact O-N 2.93Å; G37-R42 VanDerWaalsContact O-N 3.13Å
38Q86.4Confident88.8Confident17 Ų1764.6 Ų64.68%0.07933%0.334CS..Hα-helixtrans-76.2-31.5177.5-71.7166.971.500112.6K9 F35 F36 R42K9-Q38 VanDerWaalsContact CD-OE1 3.31Å; F35-Q38 PolarHBondContact O-N 3.39Å; F36-Q38 VanDerWaalsContact C-N 3.29Å; F36-Q38 PolarHBondContact O-N 3.36Å; Q38-R42 WeakPolarHBondContact O-CB 3.44Å
39A88.6Confident88.6Confident4 Ų464.9 Ų64.93%0.03334%0.336CS..Hα-helixtrans-73.4-43.4177.300000111.9F35 F36 Q49 I52 R53 V56F35-A39 WeakPolarHBondContact O-CB 3.38Å; F35-A39 PolarHBondContact O-N 3.42Å; F36-A39 PolarHBondContact O-N 2.84Å; A39-Q49 PolarHBondContact O-NE2 2.65Å; A39-I52 HydrophobicContact CB-CG2 4.27Å; A39-R53 HydrophobicContact CB-CB 4.18Å; A39-V56 HydrophobicContact CB-CB 4.49Å; A39-V56 HydrophobicContact CB-CG2 4.28Å
40F90Very high88.4Confident64 Ų6466 Ų6628%0.28135%0.349SS..Hα-helixtrans-109.2-32-168.5-63.7-79.1000115.3F36 R53 V56 I57F36-F40 HydrophobicContact CD1-CD2 4.12Å; F36-F40 AromaticContact CD2-CD2 3.65Å; F36-F40 HydrophobicContact CD2-CD2 3.65Å; F36-F40 AromaticContact CD2-CE2 3.6Å; F36-F40 HydrophobicContact CD2-CE2 3.6Å; F36-F40 HydrophobicContact CE1-CD2 4.04Å; F36-F40 AromaticContact CE2-CD2 3.57Å; F36-F40 HydrophobicContact CE2-CD2 3.57Å; F36-F40 AromaticContact CE2-CE2 3.43Å; F36-F40 HydrophobicContact CE2-CE2 3.43Å; F36-F40 VanDerWaalsContact CE2-CE2 3.43Å; F36-F40 HydrophobicContact CE2-CZ 4.3Å; F36-F40 AromaticContact CG-CD2 3.93Å; F36-F40 HydrophobicContact CG-CD2 3.93Å; F36-F40 HydrophobicContact CG-CE2 4.32Å; F36-F40 AromaticContact CZ-CD2 3.77Å; F36-F40 HydrophobicContact CZ-CD2 3.77Å; F36-F40 HydrophobicContact CZ-CE2 4.03Å; F36-F40 HydrophobicContact CZ-CG 4.4Å; F36-F40 WeakPolarHBondContact O-CD2 3.48Å; F36-F40 PolarHBondContact O-N 3.31Å; F40-R53 HydrophobicContact CE1-CG 3.96Å; F40-R53 VanDerWaalsContact CE1-NE 3.27Å; F40-R53 HydrophobicContact CZ-CG 3.96Å; F40-V56 HydrophobicContact CE2-CG1 4.17Å; F40-I57 HydrophobicContact CZ-CD1 4.16Å; F40-I57 HydrophobicContact CZ-CG1 4.05Å
41F88.9Confident88.3Confident154 Ų15465 Ų6568%0.67535%0.346SS*.THydrogen-bonded Turntrans-107.3-13.2-173.1-59.1-56.6000114.4F36 G37 Q43F36-F41 AromaticContact CD1-CE2 3.98Å; F36-F41 HydrophobicContact CD1-CE2 3.98Å; F36-F41 AromaticContact CE1-CE2 3.88Å; F36-F41 HydrophobicContact CE1-CE2 3.88Å; F36-F41 HydrophobicContact CE1-CZ 4.22Å; G37-F41 CarbonylContact O-C 3.57Å; G37-F41 WeakPolarHBondContact O-CA 3.39Å; G37-F41 WeakPolarHBondContact O-CB 3.46Å; G37-F41 PolarHBondContact O-N 3.42Å; F41-Q43 PolarHBondContact O-N 3.48Å
42R82.2Confident88.1Confident71 Ų7165 Ų6527%0.26835%0.346SS..  trans-72128.4-179.7-177.6165.5174.1-169.2-4.6111.6D6 G37 Q38 F46 Q49D6-R42 VanDerWaalsContact CG-NH2 3.3Å; D6-R42 IonicContact OD1-CZ 3.22Å; D6-R42 VanDerWaalsContact OD1-CZ 3.22Å; D6-R42 IonicContact OD1-NH1 2.85Å; D6-R42 PolarHBondContact OD1-NH1 2.94Å; D6-R42 IonicContact OD1-NH2 2.91Å; D6-R42 PolarHBondContact OD1-NH2 3.31Å; D6-R42 IonicContact OD2-CZ 3.63Å; D6-R42 IonicContact OD2-NH1 2.97Å; D6-R42 IonicContact OD2-NH2 2.85Å; D6-R42 PolarHBondContact OD2-NH2 2.99Å; G37-R42 PolarHBondContact O-N 2.93Å; G37-R42 VanDerWaalsContact O-N 3.13Å; Q38-R42 WeakPolarHBondContact O-CB 3.44Å; R42-F46 HydrophobicContact CG-CE1 4.2Å; R42-Q49 PolarHBondContact O-NE2 3.49Å
43Q81.5Confident88.1Confident145 Ų14571.2 Ų71.268%0.67837%0.369SS*.SBendtrans-128.4144.2172.1-64.1-68.5-18.600108.4F41F41-Q43 PolarHBondContact O-N 3.48Å
44P84.4Confident88.2Confident103 Ų10368.8 Ų68.867%0.66936%0.362SS*.SBendcis-71.7161.9-4.432-35.9000112.5
45P83.7Confident88.3Confident96 Ų9665.8 Ų65.862%0.62335%0.351SS*.  trans-64.8138.8176.927.2-33.9000111.4
46F84.7Confident88.4Confident22 Ų2265.8 Ų65.810%0.09635%0.351CS..  trans-118.9152177.561.3-78.3000110.1D6 R42 E48 Q49 I52D6-F46 HydrophobicContact CB-CD2 3.74Å; D6-F46 HydrophobicContact CB-CE2 4.03Å; R42-F46 HydrophobicContact CG-CE1 4.2Å; F46-E48 HydrophobicContact CD2-CB 3.83Å; F46-E48 WeakPolarHBondContact CD2-OE2 3.32Å; F46-E48 HydrophobicContact CE2-CB 3.78Å; F46-E48 PolarHBondContact O-N 3.42Å; F46-E48 VanDerWaalsContact O-N 3.12Å; F46-Q49 HydrophobicContact CD1-CB 3.81Å; F46-Q49 HydrophobicContact CD1-CG 4.34Å; F46-Q49 HydrophobicContact CD2-CB 4.24Å; F46-Q49 HydrophobicContact CE1-CB 3.57Å; F46-Q49 HydrophobicContact CE1-CG 3.8Å; F46-Q49 HydrophobicContact CE2-CB 4.07Å; F46-Q49 HydrophobicContact CG-CB 4.12Å; F46-Q49 HydrophobicContact CZ-CB 3.72Å; F46-Q49 HydrophobicContact CZ-CG 4.14Å; F46-Q49 WeakPolarHBondContact O-CB 3.46Å; F46-Q49 PolarHBondContact O-N 3.23Å; F46-I52 HydrophobicContact CE2-CD1 3.79Å; F46-I52 HydrophobicContact CZ-CD1 3.87Å
47P86.1Confident88.6Confident116 Ų11665.1 Ų65.175%0.75335%0.351SS*.THydrogen-bonded Turntrans-52.5-38.8-172.9-28.235.5000114.2Q49P47-Q49 VanDerWaalsContact C-N 3.31Å; P47-Q49 PolarHBondContact O-N 3.04Å
48E87.3Confident88.8Confident46 Ų4667.8 Ų67.822%0.21536%0.357CS..THydrogen-bonded Turntrans-77.9-12.1-177.5-59.981.4176.500113.6L10 F46 C50 S51 I52L10-E48 HydrophobicContact CB-CB 4.33Å; L10-E48 HydrophobicContact CB-CG 4.45Å; L10-E48 HydrophobicContact CD2-CB 4.16Å; L10-E48 HydrophobicContact CD2-CG 3.94Å; F46-E48 HydrophobicContact CD2-CB 3.83Å; F46-E48 WeakPolarHBondContact CD2-OE2 3.32Å; F46-E48 HydrophobicContact CE2-CB 3.78Å; F46-E48 PolarHBondContact O-N 3.42Å; F46-E48 VanDerWaalsContact O-N 3.12Å; E48-C50 VanDerWaalsContact C-N 3.27Å; E48-C50 PolarHBondContact O-N 2.97Å; E48-S51 PolarHBondContact O-N 3.32Å; E48-S51 VanDerWaalsContact O-N 3.16Å; E48-I52 WeakPolarHBondContact O-CG1 3.39Å; E48-I52 PolarHBondContact O-N 2.99Å
49Q88.7Confident89.2Confident26 Ų2667 Ų6712%0.12135%0.353CS..Hα-helixtrans-60.1-38.4-177.2-169.9174.57.600112.1A39 R42 F46 P47 I52 R53A39-Q49 PolarHBondContact O-NE2 2.65Å; R42-Q49 PolarHBondContact O-NE2 3.49Å; F46-Q49 HydrophobicContact CD1-CB 3.81Å; F46-Q49 HydrophobicContact CD1-CG 4.34Å; F46-Q49 HydrophobicContact CD2-CB 4.24Å; F46-Q49 HydrophobicContact CE1-CB 3.57Å; F46-Q49 HydrophobicContact CE1-CG 3.8Å; F46-Q49 HydrophobicContact CE2-CB 4.07Å; F46-Q49 HydrophobicContact CG-CB 4.12Å; F46-Q49 HydrophobicContact CZ-CB 3.72Å; F46-Q49 HydrophobicContact CZ-CG 4.14Å; F46-Q49 WeakPolarHBondContact O-CB 3.46Å; F46-Q49 PolarHBondContact O-N 3.23Å; P47-Q49 VanDerWaalsContact C-N 3.31Å; P47-Q49 PolarHBondContact O-N 3.04Å; Q49-I52 PolarHBondContact O-N 3.45Å; Q49-R53 WeakPolarHBondContact O-CB 3.43Å; Q49-R53 PolarHBondContact O-N 3.37Å
50C88.9Confident89.4Confident94 Ų9469 Ų6964%0.63536%0.363SS*.Hα-helixtrans-62.7-45.3177.8-171.80000111E48 R53 S54E48-C50 VanDerWaalsContact C-N 3.27Å; E48-C50 PolarHBondContact O-N 2.97Å; C50-R53 PolarHBondContact O-N 3.08Å; C50-S54 PolarHBondContact O-N 3.49Å; C50-S54 VanDerWaalsContact O-N 3.15Å; C50-S54 PolarHBondContact O-OG 2.94Å
51S91.4Very high89.6Confident52 Ų5270.3 Ų70.336%0.36437%0.372SS..Hα-helixtrans-64.2-45.2175.9-58.70000112E48 R53 S54 Y55E48-S51 PolarHBondContact O-N 3.32Å; E48-S51 VanDerWaalsContact O-N 3.16Å; S51-R53 VanDerWaalsContact C-N 3.3Å; S51-R53 PolarHBondContact O-N 3.48Å; S51-S54 PolarHBondContact O-N 3.42Å; S51-Y55 WeakPolarHBondContact O-CD2 3.4Å; S51-Y55 PolarHBondContact O-N 3.23Å
52I91.3Very high89.8Confident0 Ų063.3 Ų63.30%034%0.343CS..Hα-helixtrans-59.5-43.5177.6-66.9174.3000110.3K9 L10 F35 A39 F46 E48 Q49 S54 Y55 V56K9-I52 HydrophobicContact CB-CD1 4.38Å; L10-I52 HydrophobicContact CB-CD1 4.49Å; L10-I52 HydrophobicContact CB-CG1 4.36Å; L10-I52 HydrophobicContact CD1-CG1 3.79Å; F35-I52 HydrophobicContact CB-CG2 4.14Å; F35-I52 HydrophobicContact CD1-CG2 4.18Å; F35-I52 HydrophobicContact CG-CG2 4.49Å; A39-I52 HydrophobicContact CB-CG2 4.27Å; F46-I52 HydrophobicContact CE2-CD1 3.79Å; F46-I52 HydrophobicContact CZ-CD1 3.87Å; E48-I52 WeakPolarHBondContact O-CG1 3.39Å; E48-I52 PolarHBondContact O-N 2.99Å; Q49-I52 PolarHBondContact O-N 3.45Å; I52-S54 PolarHBondContact O-N 3.39Å; I52-Y55 PolarHBondContact O-N 2.85Å; I52-V56 HydrophobicContact CG2-CG2 4.08Å; I52-V56 WeakPolarHBondContact O-CB 3.31Å; I52-V56 VanDerWaalsContact O-CG2 3.26Å; I52-V56 WeakPolarHBondContact O-CG2 3.32Å; I52-V56 PolarHBondContact O-N 3.36Å
53R92.2Very high90.4Very high130 Ų13060 Ų6049%0.49133%0.331SS..Hα-helixtrans-58.8-45.2178-175.2177.7176.5179.21.9112A39 F40 Q49 C50 S51 V56 I57A39-R53 HydrophobicContact CB-CB 4.18Å; F40-R53 HydrophobicContact CE1-CG 3.96Å; F40-R53 VanDerWaalsContact CE1-NE 3.27Å; F40-R53 HydrophobicContact CZ-CG 3.96Å; Q49-R53 WeakPolarHBondContact O-CB 3.43Å; Q49-R53 PolarHBondContact O-N 3.37Å; C50-R53 PolarHBondContact O-N 3.08Å; S51-R53 VanDerWaalsContact C-N 3.3Å; S51-R53 PolarHBondContact O-N 3.48Å; R53-V56 PolarHBondContact O-N 2.93Å; R53-I57 HydrophobicContact CG-CD1 3.94Å; R53-I57 VanDerWaalsContact O-CG1 3.3Å; R53-I57 WeakPolarHBondContact O-CG1 3.36Å; R53-I57 PolarHBondContact O-N 2.87Å
54S93.7Very high91Very high63 Ų6356.1 Ų56.144%0.44132%0.32SS..Hα-helixtrans-61.7-46.1176.3-63.10000112C50 S51 I52 V56 I57 L58C50-S54 PolarHBondContact O-N 3.49Å; C50-S54 VanDerWaalsContact O-N 3.15Å; C50-S54 PolarHBondContact O-OG 2.94Å; S51-S54 PolarHBondContact O-N 3.42Å; I52-S54 PolarHBondContact O-N 3.39Å; S54-V56 PolarHBondContact O-N 2.81Å; S54-I57 PolarHBondContact O-N 3.2Å; S54-L58 WeakPolarHBondContact O-CB 3.49Å; S54-L58 VanDerWaalsContact O-CG 3.27Å; S54-L58 WeakPolarHBondContact O-CG 3.31Å; S54-L58 PolarHBondContact O-N 3.28Å
55Y93.5Very high91.5Very high64 Ų6456.7 Ų56.725%0.25132%0.316SS..Hα-helixtrans-64.6-38.7177.5-76.4-66.8000112.9L10 K14 F17 S51 I52 L58 S59L10-Y55 HydrophobicContact CD1-CD2 4.3Å; L10-Y55 HydrophobicContact CD1-CE2 4.38Å; K14-Y55 HydrophobicContact CD-CE2 4.17Å; K14-Y55 WeakPolarHBondContact CE-OH 3.25Å; K14-Y55 HydrophobicContact CG-CD2 4.09Å; K14-Y55 HydrophobicContact CG-CE1 4.28Å; K14-Y55 HydrophobicContact CG-CE2 3.59Å; F17-Y55 HydrophobicContact CB-CD1 4.02Å; F17-Y55 AromaticContact CD1-CD1 3.87Å; F17-Y55 HydrophobicContact CD1-CD1 3.87Å; F17-Y55 AromaticContact CD1-CE1 3.93Å; F17-Y55 HydrophobicContact CD1-CE1 3.93Å; F17-Y55 HydrophobicContact CD2-CD1 4.08Å; F17-Y55 HydrophobicContact CE1-CD1 4.39Å; F17-Y55 HydrophobicContact CE1-CE1 4.34Å; F17-Y55 AromaticContact CG-CD1 3.7Å; F17-Y55 HydrophobicContact CG-CD1 3.7Å; F17-Y55 HydrophobicContact CG-CE1 4.23Å; S51-Y55 WeakPolarHBondContact O-CD2 3.4Å; S51-Y55 PolarHBondContact O-N 3.23Å; I52-Y55 PolarHBondContact O-N 2.85Å; Y55-L58 PolarHBondContact O-N 3.47Å; Y55-S59 WeakPolarHBondContact O-CB 3.19Å; Y55-S59 PolarHBondContact O-N 2.9Å; Y55-S59 PolarHBondContact O-OG 3.5Å
56V93.8Very high91.9Very high0 Ų056.7 Ų56.70%030%0.304CS..Hα-helixtrans-62.7-47.5175.91660000110.9F35 F36 A39 F40 I52 R53 S54 S59 L60F35-V56 HydrophobicContact CB-CG2 3.46Å; F35-V56 VanDerWaalsContact CB-CG2 3.46Å; F36-V56 HydrophobicContact CD2-CG1 4.32Å; A39-V56 HydrophobicContact CB-CB 4.49Å; A39-V56 HydrophobicContact CB-CG2 4.28Å; F40-V56 HydrophobicContact CE2-CG1 4.17Å; I52-V56 HydrophobicContact CG2-CG2 4.08Å; I52-V56 WeakPolarHBondContact O-CB 3.31Å; I52-V56 VanDerWaalsContact O-CG2 3.26Å; I52-V56 WeakPolarHBondContact O-CG2 3.32Å; I52-V56 PolarHBondContact O-N 3.36Å; R53-V56 PolarHBondContact O-N 2.93Å; S54-V56 PolarHBondContact O-N 2.81Å; V56-S59 PolarHBondContact O-N 3.35Å; V56-L60 HydrophobicContact CG1-CD1 4.1Å; V56-L60 WeakPolarHBondContact O-CG 3.28Å; V56-L60 PolarHBondContact O-N 2.85Å
57I94.2Very high92.3Very high68 Ų6860.2 Ų60.235%0.34932%0.323SS..Hα-helixtrans-62.9-46.9178.4-68.1168.3000110.4F40 R53 S54 S59 L60 I61F40-I57 HydrophobicContact CZ-CD1 4.16Å; F40-I57 HydrophobicContact CZ-CG1 4.05Å; R53-I57 HydrophobicContact CG-CD1 3.94Å; R53-I57 VanDerWaalsContact O-CG1 3.3Å; R53-I57 WeakPolarHBondContact O-CG1 3.36Å; R53-I57 PolarHBondContact O-N 2.87Å; S54-I57 PolarHBondContact O-N 3.2Å; I57-S59 VanDerWaalsContact C-N 3.35Å; I57-S59 PolarHBondContact O-N 3.42Å; I57-L60 PolarHBondContact O-N 2.92Å; I57-I61 HydrophobicContact CG2-CD1 3.75Å; I57-I61 HydrophobicContact CG2-CG1 4.4Å; I57-I61 VanDerWaalsContact O-CG1 3.32Å; I57-I61 WeakPolarHBondContact O-CG1 3.38Å; I57-I61 PolarHBondContact O-N 3.44Å
58L94.1Very high92.7Very high89 Ų8960 Ų6047%0.46631%0.314SS..Hα-helixtrans-61.8-41177.6-71.2170000112.1F17 S54 Y55 I61 G62F17-L58 HydrophobicContact CD2-CB 4.44Å; F17-L58 HydrophobicContact CE2-CB 3.63Å; F17-L58 HydrophobicContact CZ-CB 4.25Å; S54-L58 WeakPolarHBondContact O-CB 3.49Å; S54-L58 VanDerWaalsContact O-CG 3.27Å; S54-L58 WeakPolarHBondContact O-CG 3.31Å; S54-L58 PolarHBondContact O-N 3.28Å; Y55-L58 PolarHBondContact O-N 3.47Å; L58-I61 PolarHBondContact O-N 3.27Å; L58-G62 PolarHBondContact O-N 3.19Å
59S93.2Very high93.1Very high0 Ų059.5 Ų59.50%032%0.322CS..Hα-helixtrans-61.3-45.2173-82.40000112.1F17 W28 N31 Y55 V56 I57 G62 A63F17-S59 WeakPolarHBondContact CD2-OG 3.5Å; W28-S59 WeakPolarHBondContact CB-O 3.25Å; N31-S59 PolarHBondContact ND2-OG 3.39Å; Y55-S59 WeakPolarHBondContact O-CB 3.19Å; Y55-S59 PolarHBondContact O-N 2.9Å; Y55-S59 PolarHBondContact O-OG 3.5Å; V56-S59 PolarHBondContact O-N 3.35Å; I57-S59 VanDerWaalsContact C-N 3.35Å; I57-S59 PolarHBondContact O-N 3.42Å; S59-G62 PolarHBondContact O-N 2.95Å; S59-A63 VanDerWaalsContact O-CB 3.31Å; S59-A63 WeakPolarHBondContact O-CB 3.38Å; S59-A63 PolarHBondContact O-N 3.02Å
60L93.5Very high93.3Very high47 Ų4763.6 Ų63.625%0.24634%0.34CS..Hα-helixtrans-65.1-40.3179-71.4173.5000112.3F36 V56 I57 S64F36-L60 HydrophobicContact CD2-CD1 4.18Å; F36-L60 HydrophobicContact CE2-CD1 4.35Å; V56-L60 HydrophobicContact CG1-CD1 4.1Å; V56-L60 WeakPolarHBondContact O-CG 3.28Å; V56-L60 PolarHBondContact O-N 2.85Å; I57-L60 PolarHBondContact O-N 2.92Å; L60-S64 WeakPolarHBondContact O-CB 3.22Å; L60-S64 PolarHBondContact O-N 3.48Å; L60-S64 PolarHBondContact O-OG 2.87Å
61I95.4Very high93.6Very high90 Ų9061.9 Ų61.946%0.46233%0.332SS..Hα-helixtrans-62.1-50.7173.6-68.5168.1000109.8I57 L58 A63 S64 L65I57-I61 HydrophobicContact CG2-CD1 3.75Å; I57-I61 HydrophobicContact CG2-CG1 4.4Å; I57-I61 VanDerWaalsContact O-CG1 3.32Å; I57-I61 WeakPolarHBondContact O-CG1 3.38Å; I57-I61 PolarHBondContact O-N 3.44Å; L58-I61 PolarHBondContact O-N 3.27Å; I61-A63 VanDerWaalsContact C-N 3.34Å; I61-A63 PolarHBondContact O-N 3.02Å; I61-S64 WeakPolarHBondContact O-CB 3.18Å; I61-S64 PolarHBondContact O-N 3.43Å; I61-S64 VanDerWaalsContact O-N 3.16Å; I61-L65 HydrophobicContact CG2-CD1 4.03Å; I61-L65 HydrophobicContact CG2-CG 4.4Å; I61-L65 WeakPolarHBondContact O-CG 3.24Å; I61-L65 PolarHBondContact O-N 2.92Å
62G92.9Very high93.8Very high8 Ų866.4 Ų66.48%0.08235%0.346CS..Hα-helixtrans-58.9-43.8178.800000112.6W28 L58 S59 S64 L65 W66W28-G62 VanDerWaalsContact CE3-CA 3.46Å; W28-G62 WeakPolarHBondContact CZ3-O 3.32Å; L58-G62 PolarHBondContact O-N 3.19Å; S59-G62 PolarHBondContact O-N 2.95Å; G62-S64 VanDerWaalsContact C-N 3.35Å; G62-S64 PolarHBondContact O-N 3.27Å; G62-L65 PolarHBondContact O-N 2.84Å; G62-W66 PolarHBondContact O-N 3.38Å
63A93.3Very high93.9Very high1 Ų172.4 Ų72.41%0.00837%0.368CS..Hα-helixtrans-62.2-43175.900000111.3W28 L29 S59 I61 W66 I67W28-A63 HydrophobicContact CB-CB 3.95Å; L29-A63 HydrophobicContact CB-CB 4.38Å; S59-A63 VanDerWaalsContact O-CB 3.31Å; S59-A63 WeakPolarHBondContact O-CB 3.38Å; S59-A63 PolarHBondContact O-N 3.02Å; I61-A63 VanDerWaalsContact C-N 3.34Å; I61-A63 PolarHBondContact O-N 3.02Å; A63-W66 PolarHBondContact O-N 3.48Å; A63-I67 VanDerWaalsContact O-CG1 3.25Å; A63-I67 WeakPolarHBondContact O-CG1 3.46Å; A63-I67 PolarHBondContact O-N 3.22Å
64S94.2Very high94Very high63 Ų6368.3 Ų68.344%0.44136%0.362SS..Hα-helixtrans-63.2-43.9177.8-56.80000111.7L60 I61 G62 W66 I67 I68L60-S64 WeakPolarHBondContact O-CB 3.22Å; L60-S64 PolarHBondContact O-N 3.48Å; L60-S64 PolarHBondContact O-OG 2.87Å; I61-S64 WeakPolarHBondContact O-CB 3.18Å; I61-S64 PolarHBondContact O-N 3.43Å; I61-S64 VanDerWaalsContact O-N 3.16Å; G62-S64 VanDerWaalsContact C-N 3.35Å; G62-S64 PolarHBondContact O-N 3.27Å; S64-W66 PolarHBondContact O-N 2.93Å; S64-I67 PolarHBondContact O-N 2.87Å; S64-I68 VanDerWaalsContact O-CG1 3.25Å; S64-I68 WeakPolarHBondContact O-CG1 3.24Å; S64-I68 PolarHBondContact O-N 3.44Å
65L95Very high94Very high115 Ų11570.4 Ų70.460%0.60237%0.369SS*.Hα-helixtrans-61-43.1176.3-71.9174000111.9I61 G62 I68 G69I61-L65 HydrophobicContact CG2-CD1 4.03Å; I61-L65 HydrophobicContact CG2-CG 4.4Å; I61-L65 WeakPolarHBondContact O-CG 3.24Å; I61-L65 PolarHBondContact O-N 2.92Å; G62-L65 PolarHBondContact O-N 2.84Å; L65-I68 PolarHBondContact O-N 2.87Å; L65-G69 PolarHBondContact O-N 2.81Å
66W92.7Very high93.9Very high97 Ų9771 Ų7137%0.36738%0.375SS..Hα-helixtrans-65.5-42.4174.7-88.1112.1000112.9P25 W28 G62 A63 S64 I68 G69 F70P25-W66 HydrophobicContact CB-CB 3.45Å; P25-W66 VanDerWaalsContact CB-CB 3.45Å; P25-W66 HydrophobicContact CB-CG 3.78Å; P25-W66 HydrophobicContact CG-CB 4.01Å; P25-W66 HydrophobicContact CG-CG 4.24Å; W28-W66 AromaticContact CE3-CD1 3.7Å; W28-W66 AromaticContact CZ3-CD1 3.3Å; W28-W66 AromaticContact CZ3-NE1 3.46Å; G62-W66 PolarHBondContact O-N 3.38Å; A63-W66 PolarHBondContact O-N 3.48Å; S64-W66 PolarHBondContact O-N 2.93Å; W66-I68 VanDerWaalsContact C-N 3.29Å; W66-I68 PolarHBondContact O-N 2.87Å; W66-G69 PolarHBondContact O-N 2.8Å; W66-F70 HydrophobicContact CB-CD2 4.46Å; W66-F70 HydrophobicContact CD2-CE2 4.29Å; W66-F70 AromaticContact CE3-CD2 3.96Å; W66-F70 HydrophobicContact CE3-CD2 3.96Å; W66-F70 AromaticContact CE3-CE2 3.42Å; W66-F70 HydrophobicContact CE3-CE2 3.42Å; W66-F70 VanDerWaalsContact CE3-CE2 3.42Å; W66-F70 HydrophobicContact CE3-CZ 4Å; W66-F70 AromaticContact CZ3-CE2 3.94Å; W66-F70 HydrophobicContact CZ3-CE2 3.94Å; W66-F70 HydrophobicContact CZ3-CZ 4.04Å; W66-F70 WeakPolarHBondContact O-CB 3.48Å; W66-F70 VanDerWaalsContact O-CD2 3.24Å; W66-F70 WeakPolarHBondContact O-CD2 3.38Å; W66-F70 PolarHBondContact O-N 3.32Å
67I92.3Very high93.8Very high95 Ų9572.4 Ų72.449%0.48738%0.381SS..Hα-helixtrans-59.9-44176.8-71.3164.8000110A63 S64 F70 A71A63-I67 VanDerWaalsContact O-CG1 3.25Å; A63-I67 WeakPolarHBondContact O-CG1 3.46Å; A63-I67 PolarHBondContact O-N 3.22Å; S64-I67 PolarHBondContact O-N 2.87Å; I67-F70 PolarHBondContact O-N 3.07Å; I67-A71 WeakPolarHBondContact O-CB 3.23Å; I67-A71 PolarHBondContact O-N 3.35Å
68I95.5Very high93.5Very high111 Ų11175.8 Ų75.857%0.56940%0.399SS*.Hα-helixtrans-62.7-45.1175.5-67.7164.5000110.5S64 L65 W66 A71 F72S64-I68 VanDerWaalsContact O-CG1 3.25Å; S64-I68 WeakPolarHBondContact O-CG1 3.24Å; S64-I68 PolarHBondContact O-N 3.44Å; L65-I68 PolarHBondContact O-N 2.87Å; W66-I68 VanDerWaalsContact C-N 3.29Å; W66-I68 PolarHBondContact O-N 2.87Å; I68-A71 PolarHBondContact O-N 3.01Å; I68-F72 WeakPolarHBondContact O-CB 3.33Å; I68-F72 PolarHBondContact O-N 3.49Å
69G94.9Very high93.2Very high37 Ų3775.6 Ų75.638%0.38141%0.405SS..Hα-helixtrans-61-45.9177.600000112.9L65 W66 F72 W73L65-G69 PolarHBondContact O-N 2.81Å; W66-G69 PolarHBondContact O-N 2.8Å; G69-F72 PolarHBondContact O-N 3.33Å; G69-W73 WeakPolarHBondContact O-CB 3.18Å; G69-W73 PolarHBondContact O-N 3.29Å
70F93.8Very high93Very high112 Ų11278 Ų7849%0.49142%0.42SS..Hα-helixtrans-65.7-42.9175.4-83.4-61.9000112.2P25 W66 I67 W73 A74P25-F70 HydrophobicContact CG-CD2 4.43Å; P25-F70 HydrophobicContact CG-CE2 3.92Å; W66-F70 HydrophobicContact CB-CD2 4.46Å; W66-F70 HydrophobicContact CD2-CE2 4.29Å; W66-F70 AromaticContact CE3-CD2 3.96Å; W66-F70 HydrophobicContact CE3-CD2 3.96Å; W66-F70 AromaticContact CE3-CE2 3.42Å; W66-F70 HydrophobicContact CE3-CE2 3.42Å; W66-F70 VanDerWaalsContact CE3-CE2 3.42Å; W66-F70 HydrophobicContact CE3-CZ 4Å; W66-F70 AromaticContact CZ3-CE2 3.94Å; W66-F70 HydrophobicContact CZ3-CE2 3.94Å; W66-F70 HydrophobicContact CZ3-CZ 4.04Å; W66-F70 WeakPolarHBondContact O-CB 3.48Å; W66-F70 VanDerWaalsContact O-CD2 3.24Å; W66-F70 WeakPolarHBondContact O-CD2 3.38Å; W66-F70 PolarHBondContact O-N 3.32Å; I67-F70 PolarHBondContact O-N 3.07Å; F70-W73 PolarHBondContact O-N 3.06Å; F70-A74 WeakPolarHBondContact O-CB 3.27Å; F70-A74 PolarHBondContact O-N 3.34Å
71A94.5Very high92.6Very high58 Ų5877.2 Ų77.248%0.47941%0.413SS..Hα-helixtrans-64.6-42.2177.500000111.4I67 I68 N75I67-A71 WeakPolarHBondContact O-CB 3.23Å; I67-A71 PolarHBondContact O-N 3.35Å; I68-A71 PolarHBondContact O-N 3.01Å; A71-N75 WeakPolarHBondContact O-CB 3.16Å; A71-N75 PolarHBondContact O-N 3.4Å
72F96.1Very high92Very high147 Ų14778.3 Ų78.365%0.64542%0.419SS*.Hα-helixtrans-62.6-49175178-98.6000111.3I68 G69 N75 M76I68-F72 WeakPolarHBondContact O-CB 3.33Å; I68-F72 PolarHBondContact O-N 3.49Å; G69-F72 PolarHBondContact O-N 3.33Å; F72-N75 PolarHBondContact O-N 2.98Å; F72-M76 WeakPolarHBondContact O-CB 3.42Å; F72-M76 PolarHBondContact O-N 3.11Å
73W94.1Very high91.8Very high126 Ų12682.2 Ų82.248%0.47745%0.445SS..Hα-helixtrans-59.6-47.7176.3174.7-106.6000111.8G69 F70 N75 M76 F77 W84G69-W73 WeakPolarHBondContact O-CB 3.18Å; G69-W73 PolarHBondContact O-N 3.29Å; F70-W73 PolarHBondContact O-N 3.06Å; W73-N75 VanDerWaalsContact C-N 3.33Å; W73-N75 PolarHBondContact O-N 3.27Å; W73-M76 HydrophobicContact CE3-SD 4.4Å; W73-M76 HydrophobicContact CZ3-SD 4.29Å; W73-M76 PolarHBondContact O-N 3.31Å; W73-F77 HydrophobicContact CZ2-CD2 4.31Å; W73-F77 VanDerWaalsContact O-CB 3.24Å; W73-F77 WeakPolarHBondContact O-CB 3.47Å; W73-F77 PolarHBondContact O-N 3.3Å; W73-W84 AromaticContact CH2-CH2 3.72Å; W73-W84 HydrophobicContact CH2-CH2 3.72Å; W73-W84 AromaticContact CH2-CZ3 3.99Å; W73-W84 HydrophobicContact CH2-CZ3 3.99Å; W73-W84 HydrophobicContact CZ3-CH2 4.04Å
74A92.9Very high91.5Very high44 Ų4485.6 Ų85.636%0.36446%0.458SS..Hα-helixtrans-61.1-42.7177.800000111.5F70 L78F70-A74 WeakPolarHBondContact O-CB 3.27Å; F70-A74 PolarHBondContact O-N 3.34Å; A74-L78 VanDerWaalsContact O-CB 3.27Å; A74-L78 WeakPolarHBondContact O-CB 3.45Å; A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 2.72Å
75N93.8Very high91.1Very high107 Ų10784.2 Ų84.257%0.57245%0.453SS*.Hα-helixtrans-66.1-44.5178.4-171.4-91.6000112A71 F72 W73 S79A71-N75 WeakPolarHBondContact O-CB 3.16Å; A71-N75 PolarHBondContact O-N 3.4Å; F72-N75 PolarHBondContact O-N 2.98Å; W73-N75 VanDerWaalsContact C-N 3.33Å; W73-N75 PolarHBondContact O-N 3.27Å; N75-S79 VanDerWaalsContact O-CB 3.27Å; N75-S79 WeakPolarHBondContact O-CB 3.24Å; N75-S79 PolarHBondContact O-N 2.87Å; N75-S79 PolarHBondContact O-OG 3.37Å
76M92.2Very high90.7Very high77 Ų7782 Ų8238%0.37945%0.451SS..Hα-helixtrans-61.3-49.3175.4-173.1-152.1-171.300111F72 W73 S79 V80 W84F72-M76 WeakPolarHBondContact O-CB 3.42Å; F72-M76 PolarHBondContact O-N 3.11Å; W73-M76 HydrophobicContact CE3-SD 4.4Å; W73-M76 HydrophobicContact CZ3-SD 4.29Å; W73-M76 PolarHBondContact O-N 3.31Å; M76-S79 PolarHBondContact O-N 2.82Å; M76-V80 WeakPolarHBondContact O-CB 3.27Å; M76-V80 WeakPolarHBondContact O-CG2 3Å; M76-V80 PolarHBondContact O-N 3.44Å; M76-W84 HydrophobicContact CE-CZ2 3.93Å; M76-W84 HydrophobicContact SD-CH2 4.49Å; M76-W84 HydrophobicContact SD-CZ2 4.25Å
77F90.8Very high90.5Very high29 Ų2980.8 Ų80.813%0.12746%0.455CS..Hα-helixtrans-60.8-51.5179.9-173.4-102000110.4W73 S79 V80 R81 W84 M91 S92W73-F77 HydrophobicContact CZ2-CD2 4.31Å; W73-F77 VanDerWaalsContact O-CB 3.24Å; W73-F77 WeakPolarHBondContact O-CB 3.47Å; W73-F77 PolarHBondContact O-N 3.3Å; F77-S79 VanDerWaalsContact C-N 3.27Å; F77-S79 PolarHBondContact O-N 2.99Å; F77-V80 PolarHBondContact O-N 2.92Å; F77-R81 HydrophobicContact CE1-CB 4.46Å; F77-R81 HydrophobicContact CE1-CG 4.3Å; F77-R81 HydrophobicContact CZ-CB 4.48Å; F77-R81 HydrophobicContact CZ-CG 4.11Å; F77-R81 WeakPolarHBondContact O-CA 3.35Å; F77-R81 WeakPolarHBondContact O-CB 3.35Å; F77-R81 PolarHBondContact O-N 2.79Å; F77-W84 HydrophobicContact CD2-CE3 4.28Å; F77-W84 HydrophobicContact CD2-CH2 4.42Å; F77-W84 AromaticContact CD2-CZ3 3.8Å; F77-W84 HydrophobicContact CD2-CZ3 3.8Å; F77-W84 HydrophobicContact CE2-CE3 4.28Å; F77-W84 HydrophobicContact CE2-CZ3 4.11Å; F77-M91 HydrophobicContact CE2-CB 3.78Å; F77-M91 HydrophobicContact CE2-SD 4.36Å; F77-M91 HydrophobicContact CZ-CB 3.97Å; F77-S92 WeakPolarHBondContact CZ-OG 3.2Å
78L87.6Confident90.2Very high138 Ų13876.2 Ų76.272%0.72343%0.432SS*.Hα-helixtrans-62.5-32.8179.6-68.7172.1000113.1A74A74-L78 VanDerWaalsContact O-CB 3.27Å; A74-L78 WeakPolarHBondContact O-CB 3.45Å; A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 2.72Å
79S88.5Confident89.7Confident86 Ų8674.1 Ų74.160%0.60142%0.421SS*.Hα-helixtrans-80.2-28.8-178.9-55.60000113.7N75 M76 F77N75-S79 VanDerWaalsContact O-CB 3.27Å; N75-S79 WeakPolarHBondContact O-CB 3.24Å; N75-S79 PolarHBondContact O-N 2.87Å; N75-S79 PolarHBondContact O-OG 3.37Å; M76-S79 PolarHBondContact O-N 2.82Å; F77-S79 VanDerWaalsContact C-N 3.27Å; F77-S79 PolarHBondContact O-N 2.99Å
80V88.2Confident89.4Confident51 Ų5180.3 Ų80.331%0.30944%0.441SS..Hα-helixtrans-120.2-8.5-167.7-168.80000112.3M76 F77 I82 S83 W84M76-V80 WeakPolarHBondContact O-CB 3.27Å; M76-V80 WeakPolarHBondContact O-CG2 3Å; M76-V80 PolarHBondContact O-N 3.44Å; F77-V80 PolarHBondContact O-N 2.92Å; V80-I82 VanDerWaalsContact C-N 3.28Å; V80-I82 PolarHBondContact O-N 3.13Å; V80-I82 VanDerWaalsContact O-N 3.13Å; V80-S83 WeakPolarHBondContact CG1-OG 3.49Å; V80-S83 PolarHBondContact O-N 3.37Å; V80-S83 PolarHBondContact O-OG 2.66Å; V80-W84 PolarHBondContact O-N 3.33Å
81R85.8Confident89.1Confident29 Ų2979.9 Ų79.911%0.10944%0.441CS..G310 helixtrans-46.6-47.8-177.7171.6-168.2160.5168.15112.7F77 S83 W84 D89 S92 I94 P96F77-R81 HydrophobicContact CE1-CB 4.46Å; F77-R81 HydrophobicContact CE1-CG 4.3Å; F77-R81 HydrophobicContact CZ-CB 4.48Å; F77-R81 HydrophobicContact CZ-CG 4.11Å; F77-R81 WeakPolarHBondContact O-CA 3.35Å; F77-R81 WeakPolarHBondContact O-CB 3.35Å; F77-R81 PolarHBondContact O-N 2.79Å; R81-S83 VanDerWaalsContact C-N 3.25Å; R81-S83 PolarHBondContact O-N 3.18Å; R81-W84 WeakPolarHBondContact O-CB 3Å; R81-W84 PolarHBondContact O-N 2.88Å; R81-D89 IonicContact CZ-OD1 2.69Å; R81-D89 IonicContact NE-OD1 2.65Å; R81-D89 IonicContact NH2-OD1 3.09Å; R81-D89 PolarHBondContact NH2-OD1 3.03Å; R81-S92 WeakPolarHBondContact CD-OG 3.41Å; R81-S92 VanDerWaalsContact CZ-CB 3.47Å; R81-S92 PolarHBondContact NE-OG 3.35Å; R81-S92 PolarHBondContact NH1-OG 3.15Å; R81-S92 VanDerWaalsContact NH1-OG 3.15Å; R81-S92 PolarHBondContact NH2-OG 3.44Å; R81-I94 PolarHBondContact NH1-O 3.15Å; R81-I94 VanDerWaalsContact NH1-O 3.15Å; R81-P96 VanDerWaalsContact NH1-CD 3.28Å
82I83Confident88.8Confident113 Ų11377.9 Ų77.958%0.57942%0.424SS*.G310 helixtrans-59.2-39.9-177.2-60.2176000110.6V80 W84 G85V80-I82 VanDerWaalsContact C-N 3.28Å; V80-I82 PolarHBondContact O-N 3.13Å; V80-I82 VanDerWaalsContact O-N 3.13Å; I82-W84 VanDerWaalsContact C-N 3.25Å; I82-W84 PolarHBondContact O-N 3.46Å; I82-G85 PolarHBondContact O-N 3.31Å
83S89Confident88.3Confident91 Ų9179.4 Ų79.464%0.63644%0.438SS*.G310 helixtrans-72.3-15.3178.3720000114.5V80 R81 G85V80-S83 WeakPolarHBondContact CG1-OG 3.49Å; V80-S83 PolarHBondContact O-N 3.37Å; V80-S83 PolarHBondContact O-OG 2.66Å; R81-S83 VanDerWaalsContact C-N 3.25Å; R81-S83 PolarHBondContact O-N 3.18Å; S83-G85 VanDerWaalsContact C-N 3.26Å
84W85.8Confident87.9Confident71 Ų7180.2 Ų80.227%0.26945%0.45SS..G310 helixtrans-80.7-9.4173.9-66.34.9000112.2W73 M76 F77 V80 R81 I82 A86 T87 M91W73-W84 AromaticContact CH2-CH2 3.72Å; W73-W84 HydrophobicContact CH2-CH2 3.72Å; W73-W84 AromaticContact CH2-CZ3 3.99Å; W73-W84 HydrophobicContact CH2-CZ3 3.99Å; W73-W84 HydrophobicContact CZ3-CH2 4.04Å; M76-W84 HydrophobicContact CE-CZ2 3.93Å; M76-W84 HydrophobicContact SD-CH2 4.49Å; M76-W84 HydrophobicContact SD-CZ2 4.25Å; F77-W84 HydrophobicContact CD2-CE3 4.28Å; F77-W84 HydrophobicContact CD2-CH2 4.42Å; F77-W84 AromaticContact CD2-CZ3 3.8Å; F77-W84 HydrophobicContact CD2-CZ3 3.8Å; F77-W84 HydrophobicContact CE2-CE3 4.28Å; F77-W84 HydrophobicContact CE2-CZ3 4.11Å; V80-W84 PolarHBondContact O-N 3.33Å; R81-W84 WeakPolarHBondContact O-CB 3Å; R81-W84 PolarHBondContact O-N 2.88Å; I82-W84 VanDerWaalsContact C-N 3.25Å; I82-W84 PolarHBondContact O-N 3.46Å; W84-A86 PolarHBondContact O-N 3.32Å; W84-T87 PolarHBondContact O-N 3.15Å; W84-M91 HydrophobicContact CE3-SD 4.16Å; W84-M91 HydrophobicContact CZ3-SD 3.82Å
85G85.9Confident87.4Confident34 Ų3482 Ų8235%0.35145%0.453SS..THydrogen-bonded Turntrans55.4-130178.500000112.1I82 S83 T87 G88 D89I82-G85 PolarHBondContact O-N 3.31Å; S83-G85 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3.26Å; G85-T87 VanDerWaalsContact O-N 3.15Å; G85-G88 WeakPolarHBondContact O-CA 3.42Å; G85-G88 PolarHBondContact O-N 3Å; G85-D89 PolarHBondContact O-N 3.26Å; G85-D89 VanDerWaalsContact O-N 3.15Å
86A87.4Confident86.7Confident68 Ų6879.6 Ų79.656%0.56244%0.443SS*.Hα-helixtrans-53.6-37.5-178.400000113.4W84 G88 D89 E90W84-A86 PolarHBondContact O-N 3.32Å; A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 2.66Å; A86-D89 PolarHBondContact O-N 3.09Å; A86-E90 WeakPolarHBondContact O-CB 3.45Å; A86-E90 WeakPolarHBondContact O-CG 3.47Å; A86-E90 PolarHBondContact O-N 3.37Å
87T87.8Confident86Confident72 Ų7286.3 Ų86.344%0.44247%0.47SS..Hα-helixtrans-65.6-37.3177.5-56.20000111.9W84 G85 D89 M91W84-T87 PolarHBondContact O-N 3.15Å; G85-T87 PolarHBondContact O-N 3.26Å; G85-T87 VanDerWaalsContact O-N 3.15Å; T87-D89 VanDerWaalsContact C-N 3.34Å; T87-M91 HydrophobicContact CG2-CE 3.51Å; T87-M91 HydrophobicContact CG2-SD 4.34Å; T87-M91 VanDerWaalsContact O-CG 3.28Å; T87-M91 WeakPolarHBondContact O-CG 3.28Å; T87-M91 PolarHBondContact O-N 3.22Å
88G86.1Confident85.2Confident0 Ų088.9 Ų88.90%051%0.505CS..Hα-helixtrans-66.3-37.6175.300000112.1G85 A86 S92G85-G88 WeakPolarHBondContact O-CA 3.42Å; G85-G88 PolarHBondContact O-N 3Å; A86-G88 VanDerWaalsContact C-N 3.33Å; A86-G88 PolarHBondContact O-N 2.66Å; G88-S92 WeakPolarHBondContact O-CB 3.34Å; G88-S92 PolarHBondContact O-N 3.28Å; G88-S92 PolarHBondContact O-OG 3.4Å
89D84.7Confident84.1Confident66 Ų6688.8 Ų88.835%0.35350%0.501SS..Hα-helixtrans-74.3-39.2178.8-70.3-26.9000112.8R81 G85 A86 T87 M91 S92R81-D89 IonicContact CZ-OD1 2.69Å; R81-D89 IonicContact NE-OD1 2.65Å; R81-D89 IonicContact NH2-OD1 3.09Å; R81-D89 PolarHBondContact NH2-OD1 3.03Å; G85-D89 PolarHBondContact O-N 3.26Å; G85-D89 VanDerWaalsContact O-N 3.15Å; A86-D89 PolarHBondContact O-N 3.09Å; T87-D89 VanDerWaalsContact C-N 3.34Å; D89-M91 VanDerWaalsContact C-N 3.27Å; D89-M91 PolarHBondContact O-N 3.46Å; D89-S92 WeakPolarHBondContact O-CB 3.49Å; D89-S92 PolarHBondContact O-N 3.38Å; D89-S92 VanDerWaalsContact O-N 3.09Å
90E89.2Confident82.6Confident168 Ų16894 Ų9479%0.78552%0.521SS*.Hα-helixtrans-62.5-34174.3-75.1176-176.700112.6A86 S92A86-E90 WeakPolarHBondContact O-CB 3.45Å; A86-E90 WeakPolarHBondContact O-CG 3.47Å; A86-E90 PolarHBondContact O-N 3.37Å; E90-S92 VanDerWaalsContact C-N 3.32Å
91M88.4Confident82.3Confident102 Ų10296.1 Ų96.150%0.50253%0.531SS..THydrogen-bonded Turntrans-79.9-13.6176-68.8-179.5-171.300113.4F77 W84 T87 D89 L93F77-M91 HydrophobicContact CE2-CB 3.78Å; F77-M91 HydrophobicContact CE2-SD 4.36Å; F77-M91 HydrophobicContact CZ-CB 3.97Å; W84-M91 HydrophobicContact CE3-SD 4.16Å; W84-M91 HydrophobicContact CZ3-SD 3.82Å; T87-M91 HydrophobicContact CG2-CE 3.51Å; T87-M91 HydrophobicContact CG2-SD 4.34Å; T87-M91 VanDerWaalsContact O-CG 3.28Å; T87-M91 WeakPolarHBondContact O-CG 3.28Å; T87-M91 PolarHBondContact O-N 3.22Å; D89-M91 VanDerWaalsContact C-N 3.27Å; D89-M91 PolarHBondContact O-N 3.46Å; M91-L93 PolarHBondContact O-N 3.44Å
92S86.5Confident82.1Confident16 Ų1699.6 Ų99.611%0.11255%0.554CS.*  trans-87.1112.1-174.3-68.70000111.5F77 R81 G88 D89 E90 I94F77-S92 WeakPolarHBondContact CZ-OG 3.2Å; R81-S92 WeakPolarHBondContact CD-OG 3.41Å; R81-S92 VanDerWaalsContact CZ-CB 3.47Å; R81-S92 PolarHBondContact NE-OG 3.35Å; R81-S92 PolarHBondContact NH1-OG 3.15Å; R81-S92 VanDerWaalsContact NH1-OG 3.15Å; R81-S92 PolarHBondContact NH2-OG 3.44Å; G88-S92 WeakPolarHBondContact O-CB 3.34Å; G88-S92 PolarHBondContact O-N 3.28Å; G88-S92 PolarHBondContact O-OG 3.4Å; D89-S92 WeakPolarHBondContact O-CB 3.49Å; D89-S92 PolarHBondContact O-N 3.38Å; D89-S92 VanDerWaalsContact O-N 3.09Å; E90-S92 VanDerWaalsContact C-N 3.32Å; S92-I94 VanDerWaalsContact C-N 3.26Å; S92-I94 PolarHBondContact O-N 3.15Å
93L86.5Confident82Confident179 Ų17998.9 Ų98.994%0.93755%0.552SS**SBendtrans-66.9-30.1171.5-69.6172.4000112.5M91M91-L93 PolarHBondContact O-N 3.44Å
94I86.3Confident81.6Confident143 Ų14399.4 Ų99.473%0.73355%0.547SS*.SBendtrans-131.6120.7179.5-56.6174.6000107.9R81 S92R81-I94 PolarHBondContact NH1-O 3.15Å; R81-I94 VanDerWaalsContact NH1-O 3.15Å; S92-I94 VanDerWaalsContact C-N 3.26Å; S92-I94 PolarHBondContact O-N 3.15Å
95I80.8Confident81.4Confident83 Ų83101.1 Ų101.143%0.42657%0.565SS.*PPolyproline II helixtrans-96.4120.1174-54-176000107.1F97I95-F97 PolarHBondContact O-N 2.92Å
96P79.5Confident81.1Confident55 Ų55105.6 Ų105.636%0.35758%0.579SS.*PPolyproline II helixtrans-65.6132175.827.7-32.6000109.7R81 G98 E99R81-P96 VanDerWaalsContact NH1-CD 3.28Å; P96-G98 PolarHBondContact O-N 2.9Å; P96-E99 HydrophobicContact CG-CB 4.27Å
97F77.4Confident80.6Confident218 Ų218108.3 Ų108.396%0.95658%0.58SS**THydrogen-bonded Turntrans-70.8125.2172.8-65.7-74.7000109.5I95I95-F97 PolarHBondContact O-N 2.92Å
98G75.4Confident80.1Confident84 Ų84111.1 Ų111.187%0.86659%0.591SS**THydrogen-bonded Turntrans102.6-1.5172.900000115.9P96P96-G98 PolarHBondContact O-N 2.9Å
99E63.1Low79.6Confident135 Ų135120.3 Ų120.363%0.63164%0.64SS**  trans-121.991.4173.8-64.5-176.4169.200108.7P96P96-E99 HydrophobicContact CG-CB 4.27Å
100L56.8Low79.1Confident195 Ų195125.3 Ų125.3100%1.02167%0.666SS**  trans-105.70164.1-71.4173.7000108.6

Retrieved 100 of 100 residues in 78.6 ms (Link to these results)

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