A0A077ZQT2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZQT2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 77 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
1M89.8Confident95.9Very high102 Ų10256.3 Ų56.350%0.50226%0.256SS..  0-69.20-61.8-177.6-65.100110.9K3 E4 V5 F39 Y43 Y48 L62M1-K3 PolarHBondContact O-N 2.88Å; M1-K3 VanDerWaalsContact O-N 3.15Å; M1-E4 PolarHBondContact O-N 3.21Å; M1-V5 PolarHBondContact O-N 3.4Å; M1-F39 HydrophobicContact CB-CE2 4.3Å; M1-Y43 HydrophobicContact CB-CE2 4.04Å; M1-Y43 HydrophobicContact CG-CE1 4.26Å; M1-Y43 HydrophobicContact CG-CE2 4.3Å; M1-Y48 HydrophobicContact CE-CD2 3.92Å; M1-Y48 HydrophobicContact CE-CE2 3.46Å; M1-Y48 VanDerWaalsContact CE-CE2 3.46Å; M1-L62 HydrophobicContact CB-CD1 4.31Å; M1-L62 HydrophobicContact CE-CD1 3.56Å
2V94.9Very high95.8Very high8 Ų858.3 Ų58.35%0.04829%0.291CS..Hα-helixtrans-46.5-50.2-175.8-175.20000114.6E4 V5 L6 F24 F35 V51 F60 L62V2-E4 VanDerWaalsContact C-N 3.3Å; V2-E4 PolarHBondContact O-N 2.99Å; V2-V5 PolarHBondContact O-N 3.05Å; V2-L6 HydrophobicContact CG1-CD1 4.07Å; V2-L6 HydrophobicContact CG1-CG 4.33Å; V2-L6 WeakPolarHBondContact O-CG 3.37Å; V2-L6 PolarHBondContact O-N 2.87Å; V2-F24 HydrophobicContact CG1-CE1 3.98Å; V2-F35 HydrophobicContact CB-CE2 4.31Å; V2-F35 HydrophobicContact CB-CZ 4.35Å; V2-F35 HydrophobicContact CG1-CE2 3.65Å; V2-F35 HydrophobicContact CG1-CZ 3.89Å; V2-F35 HydrophobicContact CG2-CZ 4.21Å; V2-V51 HydrophobicContact CG1-CG2 4.33Å; V2-V51 HydrophobicContact CG2-CG2 3.96Å; V2-F60 HydrophobicContact CB-CB 4.02Å; V2-F60 HydrophobicContact CB-CD2 3.97Å; V2-F60 HydrophobicContact CB-CG 3.96Å; V2-F60 HydrophobicContact CG1-CB 4.13Å; V2-F60 HydrophobicContact CG1-CD1 3.76Å; V2-F60 HydrophobicContact CG1-CD2 3.67Å; V2-F60 HydrophobicContact CG1-CE1 3.99Å; V2-F60 HydrophobicContact CG1-CE2 3.89Å; V2-F60 HydrophobicContact CG1-CG 3.59Å; V2-F60 HydrophobicContact CG1-CZ 4.05Å; V2-F60 HydrophobicContact CG2-CB 3.87Å; V2-F60 HydrophobicContact CG2-CG 4.28Å; V2-L62 HydrophobicContact CG2-CD1 3.82Å; V2-L62 HydrophobicContact CG2-CD2 3.85Å; V2-L62 HydrophobicContact CG2-CG 3.84Å
3K95.2Very high95.6Very high110 Ų11059.7 Ų59.748%0.47830%0.3SS..Hα-helixtrans-59.8-36.6179.7-66.6-178.6-177.81760113.6M1 K7 F60M1-K3 PolarHBondContact O-N 2.88Å; M1-K3 VanDerWaalsContact O-N 3.15Å; K3-K7 VanDerWaalsContact O-CG 3.29Å; K3-K7 WeakPolarHBondContact O-CG 3.47Å; K3-K7 PolarHBondContact O-N 3.25Å; K3-F60 HydrophobicContact CG-CD2 4.39Å; K3-F60 HydrophobicContact CG-CE2 4.33Å
4E96.5Very high95.5Very high84 Ų8466.3 Ų66.339%0.39334%0.336SS..Hα-helixtrans-72.3-38.1178.8-64.3-51.2127.900111.1M1 V2 K7 A8M1-E4 PolarHBondContact O-N 3.21Å; V2-E4 VanDerWaalsContact C-N 3.3Å; V2-E4 PolarHBondContact O-N 2.99Å; E4-K7 WeakPolarHBondContact O-CB 3.21Å; E4-K7 PolarHBondContact O-N 3.14Å; E4-K7 IonicContact OE1-NZ 2.73Å; E4-K7 PolarHBondContact OE1-NZ 3.01Å; E4-K7 IonicContact OE2-NZ 3.66Å; E4-A8 PolarHBondContact O-N 3.42Å
5V97.2Very high95.4Very high0 Ų069.3 Ų69.30%035%0.348CS..Hα-helixtrans-63.1-45.8172.4-1780000111M1 V2 K7 A8 V9 F35 T38 F39 M42 Y43M1-V5 PolarHBondContact O-N 3.4Å; V2-V5 PolarHBondContact O-N 3.05Å; V5-K7 VanDerWaalsContact C-N 3.28Å; V5-K7 PolarHBondContact O-N 3.31Å; V5-A8 CarbonylContact O-C 3.59Å; V5-A8 WeakPolarHBondContact O-CA 3.28Å; V5-A8 WeakPolarHBondContact O-CB 3.35Å; V5-A8 PolarHBondContact O-N 3.45Å; V5-V9 HydrophobicContact CG1-CG2 4.36Å; V5-V9 WeakPolarHBondContact O-CG2 3.28Å; V5-V9 PolarHBondContact O-N 2.97Å; V5-F35 HydrophobicContact CB-CD2 4.03Å; V5-F35 HydrophobicContact CB-CE2 3.69Å; V5-F35 HydrophobicContact CG1-CD2 3.52Å; V5-F35 HydrophobicContact CG1-CE2 3.64Å; V5-F35 HydrophobicContact CG1-CG 4.27Å; V5-F35 HydrophobicContact CG1-CZ 4.45Å; V5-F35 WeakPolarHBondContact CG1-O 3.46Å; V5-F35 HydrophobicContact CG2-CE2 4.48Å; V5-T38 HydrophobicContact CG1-CG2 3.87Å; V5-F39 HydrophobicContact CG1-CB 4.08Å; V5-F39 HydrophobicContact CG2-CB 4.32Å; V5-F39 HydrophobicContact CG2-CD2 3.79Å; V5-F39 HydrophobicContact CG2-CG 4.47Å; V5-M42 HydrophobicContact CG2-SD 4.15Å; V5-Y43 HydrophobicContact CG2-CD2 4.06Å; V5-Y43 HydrophobicContact CG2-CE2 3.58Å
6L97Very high95.5Very high0 Ų070.4 Ų70.40%036%0.362CS..Hα-helixtrans-60.7-37.1176.4-68.9175.4000112.3V2 A10 Y17 V20 F21 F24 F35 F60V2-L6 HydrophobicContact CG1-CD1 4.07Å; V2-L6 HydrophobicContact CG1-CG 4.33Å; V2-L6 WeakPolarHBondContact O-CG 3.37Å; V2-L6 PolarHBondContact O-N 2.87Å; L6-A10 VanDerWaalsContact O-CB 3.3Å; L6-A10 WeakPolarHBondContact O-CB 3.37Å; L6-A10 PolarHBondContact O-N 3.35Å; L6-Y17 HydrophobicContact CB-CD2 4.33Å; L6-Y17 HydrophobicContact CB-CE2 3.67Å; L6-V20 HydrophobicContact CD2-CG1 4.06Å; L6-F21 HydrophobicContact CD1-CD2 4.09Å; L6-F24 HydrophobicContact CD1-CD1 3.97Å; L6-F24 HydrophobicContact CD1-CE1 4.43Å; L6-F24 HydrophobicContact CD2-CB 3.83Å; L6-F24 HydrophobicContact CD2-CD1 3.76Å; L6-F24 HydrophobicContact CD2-CD2 4.02Å; L6-F24 HydrophobicContact CD2-CE1 4.26Å; L6-F24 HydrophobicContact CD2-CG 3.6Å; L6-F24 HydrophobicContact CG-CD1 4.4Å; L6-F35 HydrophobicContact CD2-CD2 3.77Å; L6-F35 HydrophobicContact CD2-CE2 4.39Å; L6-F35 HydrophobicContact CG-CD2 4.18Å; L6-F35 HydrophobicContact CG-CE2 4.35Å; L6-F60 HydrophobicContact CD1-CE2 4.02Å; L6-F60 HydrophobicContact CD1-CZ 3.76Å
7K97.6Very high95.5Very high77 Ų7770.9 Ų70.934%0.33536%0.359SS..Hα-helixtrans-65.9-39.8172-72170.1-173.6170.60111.9K3 E4 V5 A10 R11 Y17K3-K7 VanDerWaalsContact O-CG 3.29Å; K3-K7 WeakPolarHBondContact O-CG 3.47Å; K3-K7 PolarHBondContact O-N 3.25Å; E4-K7 WeakPolarHBondContact O-CB 3.21Å; E4-K7 PolarHBondContact O-N 3.14Å; E4-K7 IonicContact OE1-NZ 2.73Å; E4-K7 PolarHBondContact OE1-NZ 3.01Å; E4-K7 IonicContact OE2-NZ 3.66Å; V5-K7 VanDerWaalsContact C-N 3.28Å; V5-K7 PolarHBondContact O-N 3.31Å; K7-A10 PolarHBondContact O-N 2.88Å; K7-R11 VanDerWaalsContact O-CG 3.28Å; K7-R11 WeakPolarHBondContact O-CG 3.47Å; K7-R11 PolarHBondContact O-N 3.28Å; K7-Y17 HydrophobicContact CB-CD2 4.4Å; K7-Y17 HydrophobicContact CG-CD2 3.68Å; K7-Y17 HydrophobicContact CG-CE2 3.75Å
8A97.4Very high95.5Very high27 Ų2776.8 Ų76.822%0.22338%0.382CS..Hα-helixtrans-65.1-44.9176.500000111.4E4 V5 A10 R11 A12 T38 M42E4-A8 PolarHBondContact O-N 3.42Å; V5-A8 CarbonylContact O-C 3.59Å; V5-A8 WeakPolarHBondContact O-CA 3.28Å; V5-A8 WeakPolarHBondContact O-CB 3.35Å; V5-A8 PolarHBondContact O-N 3.45Å; A8-A10 VanDerWaalsContact C-N 3.35Å; A8-A10 PolarHBondContact O-N 3.34Å; A8-R11 PolarHBondContact O-N 3.35Å; A8-A12 WeakPolarHBondContact O-CB 3.46Å; A8-A12 PolarHBondContact O-N 3.16Å; A8-T38 HydrophobicContact CB-CG2 3.79Å; A8-M42 HydrophobicContact CB-SD 3.68Å
9V96.2Very high95.5Very high5 Ų575.5 Ų75.53%0.0338%0.381CS..Hα-helixtrans-58-46.6173.6172.60000111V5 R11 A12 N13 V20 C34 T38V5-V9 HydrophobicContact CG1-CG2 4.36Å; V5-V9 WeakPolarHBondContact O-CG2 3.28Å; V5-V9 PolarHBondContact O-N 2.97Å; V9-R11 VanDerWaalsContact C-N 3.35Å; V9-R11 PolarHBondContact O-N 3.37Å; V9-A12 PolarHBondContact O-N 3.24Å; V9-N13 PolarHBondContact O-N 3.09Å; V9-N13 PolarHBondContact O-ND2 3.18Å; V9-V20 HydrophobicContact CB-CG1 4.28Å; V9-V20 HydrophobicContact CG1-CG1 3.86Å; V9-C34 HydrophobicContact CG1-CB 4.09Å; V9-T38 HydrophobicContact CG2-CG2 4.13Å; V9-T38 WeakPolarHBondContact CG2-OG1 3.21Å
10A96.8Very high95.5Very high7 Ų772.1 Ų72.16%0.05836%0.363CS..Hα-helixtrans-59.1-44.7177.700000112.2L6 K7 A8 N14 H15 V20L6-A10 VanDerWaalsContact O-CB 3.3Å; L6-A10 WeakPolarHBondContact O-CB 3.37Å; L6-A10 PolarHBondContact O-N 3.35Å; K7-A10 PolarHBondContact O-N 2.88Å; A8-A10 VanDerWaalsContact C-N 3.35Å; A8-A10 PolarHBondContact O-N 3.34Å; A10-N14 PolarHBondContact O-N 2.96Å; A10-N14 VanDerWaalsContact O-N 3.14Å; A10-H15 WeakPolarHBondContact CB-O 3.45Å; A10-H15 PolarHBondContact O-N 3.44Å; A10-V20 HydrophobicContact CB-CB 4.37Å; A10-V20 HydrophobicContact CB-CG2 3.89Å
11R96.7Very high95.5Very high199 Ų19971 Ų7175%0.75136%0.356SS*.Hα-helixtrans-65.2-45176.6-71.8170.4-178.6177.80.5112.1K7 A8 V9 N13 N14K7-R11 VanDerWaalsContact O-CG 3.28Å; K7-R11 WeakPolarHBondContact O-CG 3.47Å; K7-R11 PolarHBondContact O-N 3.28Å; A8-R11 PolarHBondContact O-N 3.35Å; V9-R11 VanDerWaalsContact C-N 3.35Å; V9-R11 PolarHBondContact O-N 3.37Å; R11-N13 VanDerWaalsContact C-N 3.3Å; R11-N13 PolarHBondContact O-N 3.46Å; R11-N14 PolarHBondContact O-N 3.33Å
12A94.5Very high95.8Very high81 Ų8168.1 Ų68.167%0.66935%0.349SS*.Hα-helixtrans-64.9-33.2-177.500000112.8A8 V9A8-A12 WeakPolarHBondContact O-CB 3.46Å; A8-A12 PolarHBondContact O-N 3.16Å; V9-A12 PolarHBondContact O-N 3.24Å
13N92.9Very high95.8Very high76 Ų7670.8 Ų70.841%0.40636%0.363SS..THydrogen-bonded Turntrans-102.58.1-177.4-63.4-82.5000113.6V9 R11 H15V9-N13 PolarHBondContact O-N 3.09Å; V9-N13 PolarHBondContact O-ND2 3.18Å; R11-N13 VanDerWaalsContact C-N 3.3Å; R11-N13 PolarHBondContact O-N 3.46Å; N13-H15 PolarHBondContact O-CD2 3.27Å; N13-H15 PolarHBondContact O-N 2.91Å
14N94Very high95.8Very high152 Ų15266.2 Ų66.281%0.81334%0.343SS*.THydrogen-bonded Turntrans5139.8-177-163.930.6000113.7A10 R11A10-N14 PolarHBondContact O-N 2.96Å; A10-N14 VanDerWaalsContact O-N 3.14Å; R11-N14 PolarHBondContact O-N 3.33Å
15H94.3Very high95.7Very high111 Ų11164.4 Ų64.451%0.51434%0.336SS..  trans-109.1148177.6-72.2-53.3000111.2A10 N13 Y17 V20A10-H15 WeakPolarHBondContact CB-O 3.45Å; A10-H15 PolarHBondContact O-N 3.44Å; N13-H15 PolarHBondContact O-CD2 3.27Å; N13-H15 PolarHBondContact O-N 2.91Å; H15-Y17 PolarHBondContact O-N 3.09Å; H15-V20 HydrophobicContact CB-CG2 3.8Å
16P96.6Very high95.5Very high87 Ų8769.5 Ų69.557%0.56537%0.367SS*.  trans-60.9134.1170.2-20.131.9000110.5K18 S19 V20P16-K18 PolarHBondContact O-N 3.4Å; P16-K18 VanDerWaalsContact O-N 3.09Å; P16-S19 WeakPolarHBondContact O-CB 3.4Å; P16-S19 PolarHBondContact O-N 3.33Å; P16-V20 PolarHBondContact O-N 2.92Å
17Y95.9Very high95.2Very high80 Ų8071.7 Ų71.731%0.31439%0.389SS..Hα-helixtrans-51.4-37.5177171.8-97.1000112.8L6 K7 H15 S19 V20 F21L6-Y17 HydrophobicContact CB-CD2 4.33Å; L6-Y17 HydrophobicContact CB-CE2 3.67Å; K7-Y17 HydrophobicContact CB-CD2 4.4Å; K7-Y17 HydrophobicContact CG-CD2 3.68Å; K7-Y17 HydrophobicContact CG-CE2 3.75Å; H15-Y17 PolarHBondContact O-N 3.09Å; Y17-S19 VanDerWaalsContact C-N 3.29Å; Y17-S19 PolarHBondContact O-N 3.34Å; Y17-V20 PolarHBondContact O-N 2.75Å; Y17-F21 HydrophobicContact CE1-CB 4.27Å; Y17-F21 HydrophobicContact CE1-CD2 4.49Å; Y17-F21 VanDerWaalsContact O-CB 3.29Å; Y17-F21 WeakPolarHBondContact O-CB 3.43Å; Y17-F21 PolarHBondContact O-N 3.03Å
18K95.8Very high94.9Very high177 Ų17772.2 Ų72.277%0.7739%0.393SS*.Hα-helixtrans-60.8-36.3178-175.7179.1175.4-174.70112.7P16 A22P16-K18 PolarHBondContact O-N 3.4Å; P16-K18 VanDerWaalsContact O-N 3.09Å; K18-A22 WeakPolarHBondContact O-CB 3.43Å; K18-A22 PolarHBondContact O-N 3.21Å; K18-A22 VanDerWaalsContact O-N 3.14Å
19S95.2Very high94.6Very high52 Ų5275.5 Ų75.536%0.36441%0.412SS..Hα-helixtrans-68.9-53.1176.6-162.50000110P16 Y17 F21 A22 D23P16-S19 WeakPolarHBondContact O-CB 3.4Å; P16-S19 PolarHBondContact O-N 3.33Å; Y17-S19 VanDerWaalsContact C-N 3.29Å; Y17-S19 PolarHBondContact O-N 3.34Å; S19-F21 VanDerWaalsContact C-N 3.26Å; S19-F21 PolarHBondContact O-N 2.74Å; S19-A22 WeakPolarHBondContact O-CB 3.31Å; S19-A22 PolarHBondContact O-N 3.19Å; S19-D23 VanDerWaalsContact O-CG 3.28Å; S19-D23 PolarHBondContact O-N 3.1Å; S19-D23 PolarHBondContact OG-OD2 3.45Å
20V95.7Very high94.4Very high6 Ų678.9 Ų78.94%0.03644%0.436CS..Hα-helixtrans-56.6-41.7178.7178.20000111.5L6 V9 A10 H15 P16 Y17 F24L6-V20 HydrophobicContact CD2-CG1 4.06Å; V9-V20 HydrophobicContact CB-CG1 4.28Å; V9-V20 HydrophobicContact CG1-CG1 3.86Å; A10-V20 HydrophobicContact CB-CB 4.37Å; A10-V20 HydrophobicContact CB-CG2 3.89Å; H15-V20 HydrophobicContact CB-CG2 3.8Å; P16-V20 PolarHBondContact O-N 2.92Å; Y17-V20 PolarHBondContact O-N 2.75Å; V20-F24 WeakPolarHBondContact O-CB 3.27Å; V20-F24 PolarHBondContact O-N 2.83Å
21F95.7Very high94.2Very high49 Ų4979.2 Ų79.222%0.21544%0.437CS..Hα-helixtrans-61.7-45.3175.5179.5-89.5000112L6 Y17 S19 F24 I25 F53 F60L6-F21 HydrophobicContact CD1-CD2 4.09Å; Y17-F21 HydrophobicContact CE1-CB 4.27Å; Y17-F21 HydrophobicContact CE1-CD2 4.49Å; Y17-F21 VanDerWaalsContact O-CB 3.29Å; Y17-F21 WeakPolarHBondContact O-CB 3.43Å; Y17-F21 PolarHBondContact O-N 3.03Å; S19-F21 VanDerWaalsContact C-N 3.26Å; S19-F21 PolarHBondContact O-N 2.74Å; F21-F24 PolarHBondContact O-N 2.96Å; F21-I25 HydrophobicContact CD1-CD1 4.27Å; F21-I25 HydrophobicContact CD1-CG2 4.5Å; F21-I25 HydrophobicContact CE1-CD1 3.82Å; F21-I25 HydrophobicContact CE1-CG2 4.11Å; F21-I25 HydrophobicContact CE2-CG2 4.28Å; F21-I25 HydrophobicContact CZ-CG2 3.98Å; F21-I25 WeakPolarHBondContact O-CG1 3.4Å; F21-I25 WeakPolarHBondContact O-CG2 3.36Å; F21-I25 PolarHBondContact O-N 3.19Å; F21-F53 HydrophobicContact CE1-CZ 4.49Å; F21-F53 HydrophobicContact CE2-CE2 4.27Å; F21-F53 HydrophobicContact CZ-CE1 4.37Å; F21-F53 AromaticContact CZ-CE2 3.82Å; F21-F53 HydrophobicContact CZ-CE2 3.82Å; F21-F53 AromaticContact CZ-CZ 3.7Å; F21-F53 HydrophobicContact CZ-CZ 3.7Å; F21-F60 HydrophobicContact CD2-CE2 4.25Å; F21-F60 HydrophobicContact CD2-CZ 4.01Å; F21-F60 AromaticContact CE2-CE2 3.64Å; F21-F60 HydrophobicContact CE2-CE2 3.64Å; F21-F60 AromaticContact CE2-CZ 3.51Å; F21-F60 HydrophobicContact CE2-CZ 3.51Å; F21-F60 HydrophobicContact CZ-CZ 4.36Å
22A95.1Very high94.1Very high42 Ų4271.7 Ų71.735%0.34741%0.414SS..Hα-helixtrans-65.5-44.1178.900000112.1K18 S19 F24 I25 T26K18-A22 WeakPolarHBondContact O-CB 3.43Å; K18-A22 PolarHBondContact O-N 3.21Å; K18-A22 VanDerWaalsContact O-N 3.14Å; S19-A22 WeakPolarHBondContact O-CB 3.31Å; S19-A22 PolarHBondContact O-N 3.19Å; A22-F24 VanDerWaalsContact C-N 3.3Å; A22-F24 PolarHBondContact O-N 2.8Å; A22-I25 WeakPolarHBondContact O-CG1 3.42Å; A22-T26 WeakPolarHBondContact O-CB 3.49Å; A22-T26 VanDerWaalsContact O-CG2 3.28Å; A22-T26 WeakPolarHBondContact O-CG2 3.3Å; A22-T26 PolarHBondContact O-N 3.32Å; A22-T26 VanDerWaalsContact O-N 3.14Å; A22-T26 PolarHBondContact O-OG1 3.19Å
23D95.5Very high94.1Very high64 Ų6471.7 Ų71.734%0.34241%0.405SS..Hα-helixtrans-65.4-36.7178.2-61.9-29.3000111.1S19 T26 G27 H28 C31S19-D23 VanDerWaalsContact O-CG 3.28Å; S19-D23 PolarHBondContact O-N 3.1Å; S19-D23 PolarHBondContact OG-OD2 3.45Å; D23-T26 WeakPolarHBondContact CA-OG1 3.29Å; D23-T26 PolarHBondContact O-OG1 2.92Å; D23-G27 PolarHBondContact O-N 3.29Å; D23-H28 HydrophobicContact CB-CB 4.06Å; D23-H28 VanDerWaalsContact O-CB 3.25Å; D23-H28 WeakPolarHBondContact O-CB 3.21Å; D23-H28 PolarHBondContact O-N 3.11Å; D23-C31 HydrophobicContact CB-CB 4.13Å
24F95.6Very high94.2Very high14 Ų1469.8 Ų69.86%0.06140%0.397CS..Hα-helixtrans-69-48.5177.9-172.9-111.3000112.7V2 L6 V20 F21 A22 T26 G27 F35 V51 F60V2-F24 HydrophobicContact CG1-CE1 3.98Å; L6-F24 HydrophobicContact CD1-CD1 3.97Å; L6-F24 HydrophobicContact CD1-CE1 4.43Å; L6-F24 HydrophobicContact CD2-CB 3.83Å; L6-F24 HydrophobicContact CD2-CD1 3.76Å; L6-F24 HydrophobicContact CD2-CD2 4.02Å; L6-F24 HydrophobicContact CD2-CE1 4.26Å; L6-F24 HydrophobicContact CD2-CG 3.6Å; L6-F24 HydrophobicContact CG-CD1 4.4Å; V20-F24 WeakPolarHBondContact O-CB 3.27Å; V20-F24 PolarHBondContact O-N 2.83Å; F21-F24 PolarHBondContact O-N 2.96Å; A22-F24 VanDerWaalsContact C-N 3.3Å; A22-F24 PolarHBondContact O-N 2.8Å; F24-T26 PolarHBondContact O-N 2.9Å; F24-G27 PolarHBondContact O-N 3.05Å; F24-F35 HydrophobicContact CD2-CB 3.97Å; F24-F35 HydrophobicContact CD2-CD2 4.44Å; F24-F35 HydrophobicContact CD2-CG 4.13Å; F24-F35 HydrophobicContact CE1-CD2 4.41Å; F24-F35 HydrophobicContact CE1-CE2 4.4Å; F24-F35 HydrophobicContact CE2-CB 3.48Å; F24-F35 VanDerWaalsContact CE2-CB 3.48Å; F24-F35 AromaticContact CE2-CD1 3.53Å; F24-F35 HydrophobicContact CE2-CD1 3.53Å; F24-F35 AromaticContact CE2-CD2 3.77Å; F24-F35 HydrophobicContact CE2-CD2 3.77Å; F24-F35 HydrophobicContact CE2-CE1 4.21Å; F24-F35 HydrophobicContact CE2-CE2 4.4Å; F24-F35 AromaticContact CE2-CG 3.28Å; F24-F35 HydrophobicContact CE2-CG 3.28Å; F24-F35 HydrophobicContact CZ-CB 4.27Å; F24-F35 AromaticContact CZ-CD1 3.59Å; F24-F35 HydrophobicContact CZ-CD1 3.59Å; F24-F35 AromaticContact CZ-CD2 3.72Å; F24-F35 HydrophobicContact CZ-CD2 3.72Å; F24-F35 AromaticContact CZ-CE1 3.78Å; F24-F35 HydrophobicContact CZ-CE1 3.78Å; F24-F35 AromaticContact CZ-CE2 3.89Å; F24-F35 HydrophobicContact CZ-CE2 3.89Å; F24-F35 AromaticContact CZ-CG 3.57Å; F24-F35 HydrophobicContact CZ-CG 3.57Å; F24-F35 AromaticContact CZ-CZ 3.92Å; F24-F35 HydrophobicContact CZ-CZ 3.92Å; F24-V51 HydrophobicContact CE1-CG1 4.23Å; F24-V51 HydrophobicContact CE1-CG2 4.35Å; F24-V51 HydrophobicContact CE2-CG1 4.45Å; F24-V51 HydrophobicContact CZ-CG1 3.58Å; F24-V51 HydrophobicContact CZ-CG2 4.37Å; F24-F60 AromaticContact CD1-CE1 3.77Å; F24-F60 HydrophobicContact CD1-CE1 3.77Å; F24-F60 HydrophobicContact CD1-CZ 4.12Å; F24-F60 HydrophobicContact CE1-CD1 4.25Å; F24-F60 AromaticContact CE1-CE1 3.66Å; F24-F60 HydrophobicContact CE1-CE1 3.66Å; F24-F60 HydrophobicContact CE1-CZ 4.29Å
25I94.1Very high94.3Very high47 Ų4762.5 Ų62.524%0.24136%0.359CS..Hα-helixtrans-69.3-19.7179.767.2174.9000112.9F21 A22 G27 F53 F60F21-I25 HydrophobicContact CD1-CD1 4.27Å; F21-I25 HydrophobicContact CD1-CG2 4.5Å; F21-I25 HydrophobicContact CE1-CD1 3.82Å; F21-I25 HydrophobicContact CE1-CG2 4.11Å; F21-I25 HydrophobicContact CE2-CG2 4.28Å; F21-I25 HydrophobicContact CZ-CG2 3.98Å; F21-I25 WeakPolarHBondContact O-CG1 3.4Å; F21-I25 WeakPolarHBondContact O-CG2 3.36Å; F21-I25 PolarHBondContact O-N 3.19Å; A22-I25 WeakPolarHBondContact O-CG1 3.42Å; I25-G27 VanDerWaalsContact C-N 3.3Å; I25-F53 HydrophobicContact CB-CD1 4.05Å; I25-F53 HydrophobicContact CB-CG 4.4Å; I25-F53 HydrophobicContact CD1-CE1 4.36Å; I25-F53 HydrophobicContact CG2-CB 4.04Å; I25-F53 HydrophobicContact CG2-CD1 3.65Å; I25-F53 HydrophobicContact CG2-CD2 4.17Å; I25-F53 HydrophobicContact CG2-CE1 4.12Å; I25-F53 HydrophobicContact CG2-CG 3.67Å; I25-F60 HydrophobicContact CG2-CE1 4.09Å; I25-F60 HydrophobicContact CG2-CZ 4.11Å
26T92.9Very high94.4Very high107 Ų10759.1 Ų59.166%0.65634%0.341SS*.THydrogen-bonded Turntrans-85.9-4172.752.70000112.6A22 D23 F24A22-T26 WeakPolarHBondContact O-CB 3.49Å; A22-T26 VanDerWaalsContact O-CG2 3.28Å; A22-T26 WeakPolarHBondContact O-CG2 3.3Å; A22-T26 PolarHBondContact O-N 3.32Å; A22-T26 VanDerWaalsContact O-N 3.14Å; A22-T26 PolarHBondContact O-OG1 3.19Å; D23-T26 WeakPolarHBondContact CA-OG1 3.29Å; D23-T26 PolarHBondContact O-OG1 2.92Å; F24-T26 PolarHBondContact O-N 2.9Å
27G90.9Very high94.4Very high45 Ų4559.9 Ų59.946%0.46434%0.337SS..THydrogen-bonded Turntrans76.628.1177.400000113.9D23 F24 I25 P29D23-G27 PolarHBondContact O-N 3.29Å; F24-G27 PolarHBondContact O-N 3.05Å; I25-G27 VanDerWaalsContact C-N 3.3Å; G27-P29 WeakPolarHBondContact O-CD 3.5Å
28H91.5Very high94.5Very high88 Ų8857.3 Ų57.341%0.40733%0.33SS..  trans-59.3119.3179.2-173.3-82.5000110.8D23 S30 C31 T32D23-H28 HydrophobicContact CB-CB 4.06Å; D23-H28 VanDerWaalsContact O-CB 3.25Å; D23-H28 WeakPolarHBondContact O-CB 3.21Å; D23-H28 PolarHBondContact O-N 3.11Å; H28-S30 PolarHBondContact ND1-N 3.27Å; H28-S30 PolarHBondContact O-N 3.35Å; H28-C31 HydrophobicContact CB-CB 4.1Å; H28-C31 WeakPolarHBondContact O-CA 3.39Å; H28-C31 WeakPolarHBondContact O-CB 3.44Å; H28-C31 PolarHBondContact O-N 3.26Å; H28-T32 PolarHBondContact O-N 2.73Å; H28-T32 PolarHBondContact O-OG1 3.19Å
29P91.6Very high94.6Very high97 Ų9748.9 Ų48.963%0.6329%0.293SS*.Hα-helixtrans-53.6-46.8-169-29.334.5000114.1G27 C31 T32 V33G27-P29 WeakPolarHBondContact O-CD 3.5Å; P29-C31 VanDerWaalsContact C-N 3.28Å; P29-C31 PolarHBondContact O-N 3.43Å; P29-T32 PolarHBondContact O-N 3.01Å; P29-V33 WeakPolarHBondContact O-CG2 3.16Å; P29-V33 PolarHBondContact O-N 3.29Å
30S91.2Very high94.6Very high75 Ų7549.9 Ų49.952%0.52429%0.292SS..Hα-helixtrans-65.1-32.6179.5-44.10000112.7H28 C34H28-S30 PolarHBondContact ND1-N 3.27Å; H28-S30 PolarHBondContact O-N 3.35Å; S30-C34 WeakPolarHBondContact O-CB 3.48Å; S30-C34 PolarHBondContact O-N 3.04Å; S30-C34 VanDerWaalsContact O-N 3.09Å; S30-C34 PolarHBondContact O-SG 3.37Å
31C92.4Very high94.7Very high14 Ų1457.1 Ų57.110%0.09532%0.323CS..Hα-helixtrans-73.4-39.8179.1-169.50000110.5D23 H28 P29 C34 F35D23-C31 HydrophobicContact CB-CB 4.13Å; H28-C31 HydrophobicContact CB-CB 4.1Å; H28-C31 WeakPolarHBondContact O-CA 3.39Å; H28-C31 WeakPolarHBondContact O-CB 3.44Å; H28-C31 PolarHBondContact O-N 3.26Å; P29-C31 VanDerWaalsContact C-N 3.28Å; P29-C31 PolarHBondContact O-N 3.43Å; C31-C34 PolarHBondContact O-N 2.9Å; C31-F35 VanDerWaalsContact O-CB 3.31Å; C31-F35 WeakPolarHBondContact O-CB 3.45Å; C31-F35 PolarHBondContact O-N 2.86Å
32T94Very high94.7Very high41 Ų4158.7 Ų58.725%0.25233%0.332SS..Hα-helixtrans-63.6-42.3176.2-54.10000111.7H28 P29 F35 W36H28-T32 PolarHBondContact O-N 2.73Å; H28-T32 PolarHBondContact O-OG1 3.19Å; P29-T32 PolarHBondContact O-N 3.01Å; T32-F35 WeakPolarHBondContact O-CB 3.31Å; T32-F35 PolarHBondContact O-N 2.98Å; T32-W36 PolarHBondContact O-N 3.03Å
33V94.9Very high94.8Very high82 Ų8259.8 Ų59.850%0.49733%0.328SS..Hα-helixtrans-62.4-51.7174.8173.20000110.9P29 F35 W36 E37P29-V33 WeakPolarHBondContact O-CG2 3.16Å; P29-V33 PolarHBondContact O-N 3.29Å; V33-F35 PolarHBondContact O-N 3.24Å; V33-W36 PolarHBondContact O-N 2.91Å; V33-E37 HydrophobicContact CG1-CG 4.36Å; V33-E37 WeakPolarHBondContact O-CG 3.47Å; V33-E37 PolarHBondContact O-N 3.43Å
34C95Very high94.8Very high35 Ų3561.3 Ų61.324%0.23634%0.341CS..Hα-helixtrans-57.9-37177.4-73.60000112.4V9 S30 C31 T38V9-C34 HydrophobicContact CG1-CB 4.09Å; S30-C34 WeakPolarHBondContact O-CB 3.48Å; S30-C34 PolarHBondContact O-N 3.04Å; S30-C34 VanDerWaalsContact O-N 3.09Å; S30-C34 PolarHBondContact O-SG 3.37Å; C31-C34 PolarHBondContact O-N 2.9Å; C34-T38 VanDerWaalsContact O-CB 3.31Å; C34-T38 WeakPolarHBondContact O-CB 3.34Å; C34-T38 PolarHBondContact O-N 3.15Å; C34-T38 VanDerWaalsContact O-N 3.1Å; C34-T38 PolarHBondContact O-OG1 3.42Å
35F96.7Very high94.9Very high0 Ų068.3 Ų68.30%038%0.379CS..Hα-helixtrans-60.9-54.5174.9171.1-93.3000111.4V2 V5 L6 F24 C31 T32 V33 T38 F39 V51V2-F35 HydrophobicContact CB-CE2 4.31Å; V2-F35 HydrophobicContact CB-CZ 4.35Å; V2-F35 HydrophobicContact CG1-CE2 3.65Å; V2-F35 HydrophobicContact CG1-CZ 3.89Å; V2-F35 HydrophobicContact CG2-CZ 4.21Å; V5-F35 HydrophobicContact CB-CD2 4.03Å; V5-F35 HydrophobicContact CB-CE2 3.69Å; V5-F35 HydrophobicContact CG1-CD2 3.52Å; V5-F35 HydrophobicContact CG1-CE2 3.64Å; V5-F35 HydrophobicContact CG1-CG 4.27Å; V5-F35 HydrophobicContact CG1-CZ 4.45Å; V5-F35 WeakPolarHBondContact CG1-O 3.46Å; V5-F35 HydrophobicContact CG2-CE2 4.48Å; L6-F35 HydrophobicContact CD2-CD2 3.77Å; L6-F35 HydrophobicContact CD2-CE2 4.39Å; L6-F35 HydrophobicContact CG-CD2 4.18Å; L6-F35 HydrophobicContact CG-CE2 4.35Å; F24-F35 HydrophobicContact CD2-CB 3.97Å; F24-F35 HydrophobicContact CD2-CD2 4.44Å; F24-F35 HydrophobicContact CD2-CG 4.13Å; F24-F35 HydrophobicContact CE1-CD2 4.41Å; F24-F35 HydrophobicContact CE1-CE2 4.4Å; F24-F35 HydrophobicContact CE2-CB 3.48Å; F24-F35 VanDerWaalsContact CE2-CB 3.48Å; F24-F35 AromaticContact CE2-CD1 3.53Å; F24-F35 HydrophobicContact CE2-CD1 3.53Å; F24-F35 AromaticContact CE2-CD2 3.77Å; F24-F35 HydrophobicContact CE2-CD2 3.77Å; F24-F35 HydrophobicContact CE2-CE1 4.21Å; F24-F35 HydrophobicContact CE2-CE2 4.4Å; F24-F35 AromaticContact CE2-CG 3.28Å; F24-F35 HydrophobicContact CE2-CG 3.28Å; F24-F35 HydrophobicContact CZ-CB 4.27Å; F24-F35 AromaticContact CZ-CD1 3.59Å; F24-F35 HydrophobicContact CZ-CD1 3.59Å; F24-F35 AromaticContact CZ-CD2 3.72Å; F24-F35 HydrophobicContact CZ-CD2 3.72Å; F24-F35 AromaticContact CZ-CE1 3.78Å; F24-F35 HydrophobicContact CZ-CE1 3.78Å; F24-F35 AromaticContact CZ-CE2 3.89Å; F24-F35 HydrophobicContact CZ-CE2 3.89Å; F24-F35 AromaticContact CZ-CG 3.57Å; F24-F35 HydrophobicContact CZ-CG 3.57Å; F24-F35 AromaticContact CZ-CZ 3.92Å; F24-F35 HydrophobicContact CZ-CZ 3.92Å; C31-F35 VanDerWaalsContact O-CB 3.31Å; C31-F35 WeakPolarHBondContact O-CB 3.45Å; C31-F35 PolarHBondContact O-N 2.86Å; T32-F35 WeakPolarHBondContact O-CB 3.31Å; T32-F35 PolarHBondContact O-N 2.98Å; V33-F35 PolarHBondContact O-N 3.24Å; F35-T38 CarbonylContact O-C 3.59Å; F35-T38 PolarHBondContact O-N 3.48Å; F35-F39 HydrophobicContact CE1-CB 4.35Å; F35-F39 HydrophobicContact CE1-CD2 4.26Å; F35-F39 HydrophobicContact CE1-CG 4.46Å; F35-F39 AromaticContact CZ-CD2 3.87Å; F35-F39 HydrophobicContact CZ-CD2 3.87Å; F35-F39 HydrophobicContact CZ-CG 4.48Å; F35-F39 VanDerWaalsContact O-CB 3.27Å; F35-F39 WeakPolarHBondContact O-CB 3.41Å; F35-F39 PolarHBondContact O-N 3.37Å; F35-V51 HydrophobicContact CE1-CG1 4.22Å
36W97.2Very high94.9Very high39 Ų3967 Ų6715%0.14837%0.374CS..Hα-helixtrans-66.7-39.3-177-73.1120.7000112.9T32 V33 T38 F39 H40 Y48 E49 V51 L62T32-W36 PolarHBondContact O-N 3.03Å; V33-W36 PolarHBondContact O-N 2.91Å; W36-T38 VanDerWaalsContact C-N 3.27Å; W36-T38 PolarHBondContact O-N 3.14Å; W36-F39 HydrophobicContact CE3-CB 4.08Å; W36-F39 AromaticContact CE3-CD1 3.85Å; W36-F39 HydrophobicContact CE3-CD1 3.85Å; W36-F39 HydrophobicContact CE3-CG 4.02Å; W36-F39 AromaticContact CZ3-CD1 3.74Å; W36-F39 HydrophobicContact CZ3-CD1 3.74Å; W36-F39 HydrophobicContact CZ3-CD2 4.49Å; W36-F39 AromaticContact CZ3-CE1 3.98Å; W36-F39 HydrophobicContact CZ3-CE1 3.98Å; W36-F39 HydrophobicContact CZ3-CG 4.03Å; W36-F39 PolarHBondContact O-N 2.84Å; W36-H40 AromaticContact CE3-NE2 3.87Å; W36-H40 PolarHBondContact O-N 3.3Å; W36-H40 PolarHBondContact O-ND1 2.97Å; W36-Y48 WeakPolarHBondContact CZ3-O 3.44Å; W36-E49 WeakPolarHBondContact CH2-O 3.49Å; W36-E49 WeakPolarHBondContact CZ2-O 3.35Å; W36-V51 HydrophobicContact CH2-CB 4.19Å; W36-V51 HydrophobicContact CH2-CG1 4.28Å; W36-V51 HydrophobicContact CZ2-CB 3.96Å; W36-V51 HydrophobicContact CZ2-CG1 3.59Å; W36-L62 HydrophobicContact CH2-CD2 4.2Å
37E96.5Very high95.1Very high104 Ų10464.9 Ų64.949%0.48636%0.362SS..Hα-helixtrans-58.8-40.9172.7-72.5-174.6176.800112.2V33 K41V33-E37 HydrophobicContact CG1-CG 4.36Å; V33-E37 WeakPolarHBondContact O-CG 3.47Å; V33-E37 PolarHBondContact O-N 3.43Å; E37-K41 WeakPolarHBondContact O-CD 3.29Å; E37-K41 WeakPolarHBondContact O-CG 3.38Å; E37-K41 PolarHBondContact O-N 2.94Å
38T96.9Very high95.4Very high26 Ų2666 Ų6616%0.1635%0.353CS..Hα-helixtrans-74.2-36.7177.9-54.70000111.1V5 A8 V9 C34 F35 W36 K41 M42V5-T38 HydrophobicContact CG1-CG2 3.87Å; A8-T38 HydrophobicContact CB-CG2 3.79Å; V9-T38 HydrophobicContact CG2-CG2 4.13Å; V9-T38 WeakPolarHBondContact CG2-OG1 3.21Å; C34-T38 VanDerWaalsContact O-CB 3.31Å; C34-T38 WeakPolarHBondContact O-CB 3.34Å; C34-T38 PolarHBondContact O-N 3.15Å; C34-T38 VanDerWaalsContact O-N 3.1Å; C34-T38 PolarHBondContact O-OG1 3.42Å; F35-T38 CarbonylContact O-C 3.59Å; F35-T38 PolarHBondContact O-N 3.48Å; W36-T38 VanDerWaalsContact C-N 3.27Å; W36-T38 PolarHBondContact O-N 3.14Å; T38-K41 PolarHBondContact O-N 2.83Å; T38-M42 HydrophobicContact CG2-CG 4.36Å; T38-M42 HydrophobicContact CG2-SD 3.95Å; T38-M42 WeakPolarHBondContact O-CB 3.25Å; T38-M42 WeakPolarHBondContact O-CG 3.38Å; T38-M42 PolarHBondContact O-N 3.32Å
39F97.6Very high95.6Very high0 Ų066.5 Ų66.50%036%0.355CS..Hα-helixtrans-61.2-51.6178.1-175-88.8000110.8M1 V5 F35 W36 K41 M42 Y43 S46 Y48 L62M1-F39 HydrophobicContact CB-CE2 4.3Å; V5-F39 HydrophobicContact CG1-CB 4.08Å; V5-F39 HydrophobicContact CG2-CB 4.32Å; V5-F39 HydrophobicContact CG2-CD2 3.79Å; V5-F39 HydrophobicContact CG2-CG 4.47Å; F35-F39 HydrophobicContact CE1-CB 4.35Å; F35-F39 HydrophobicContact CE1-CD2 4.26Å; F35-F39 HydrophobicContact CE1-CG 4.46Å; F35-F39 AromaticContact CZ-CD2 3.87Å; F35-F39 HydrophobicContact CZ-CD2 3.87Å; F35-F39 HydrophobicContact CZ-CG 4.48Å; F35-F39 VanDerWaalsContact O-CB 3.27Å; F35-F39 WeakPolarHBondContact O-CB 3.41Å; F35-F39 PolarHBondContact O-N 3.37Å; W36-F39 HydrophobicContact CE3-CB 4.08Å; W36-F39 AromaticContact CE3-CD1 3.85Å; W36-F39 HydrophobicContact CE3-CD1 3.85Å; W36-F39 HydrophobicContact CE3-CG 4.02Å; W36-F39 AromaticContact CZ3-CD1 3.74Å; W36-F39 HydrophobicContact CZ3-CD1 3.74Å; W36-F39 HydrophobicContact CZ3-CD2 4.49Å; W36-F39 AromaticContact CZ3-CE1 3.98Å; W36-F39 HydrophobicContact CZ3-CE1 3.98Å; W36-F39 HydrophobicContact CZ3-CG 4.03Å; W36-F39 PolarHBondContact O-N 2.84Å; F39-K41 VanDerWaalsContact C-N 3.28Å; F39-K41 PolarHBondContact O-N 3Å; F39-M42 PolarHBondContact O-N 3.05Å; F39-M42 VanDerWaalsContact O-N 3.16Å; F39-Y43 HydrophobicContact CD2-CD2 4.07Å; F39-Y43 HydrophobicContact CE2-CD2 4.03Å; F39-Y43 HydrophobicContact CG-CD2 4.49Å; F39-Y43 HydrophobicContact CZ-CD2 4.46Å; F39-Y43 PolarHBondContact O-N 2.93Å; F39-S46 WeakPolarHBondContact CE1-OG 3.2Å; F39-S46 WeakPolarHBondContact CZ-OG 3.27Å; F39-Y48 HydrophobicContact CZ-CD2 4.19Å; F39-L62 HydrophobicContact CE2-CD1 4.17Å; F39-L62 HydrophobicContact CZ-CD1 4.36Å
40H96.6Very high95.7Very high72 Ų7265.8 Ų65.833%0.33334%0.341SS..Hα-helixtrans-66.3-27.7178.6-61.5148.6000113.1W36 P44 E49W36-H40 AromaticContact CE3-NE2 3.87Å; W36-H40 PolarHBondContact O-N 3.3Å; W36-H40 PolarHBondContact O-ND1 2.97Å; H40-P44 VanDerWaalsContact O-CA 3.28Å; H40-P44 WeakPolarHBondContact O-CA 3.19Å; H40-E49 IonicContact CE1-OE2 3.92Å; H40-E49 IonicContact NE2-OE1 3.81Å
41K96.4Very high95.9Very high158 Ų15863.6 Ų63.669%0.68732%0.324SS*.Hα-helixtrans-71.7-39.6172.1-75.1169.3-174.1165.20112.6E37 T38 F39E37-K41 WeakPolarHBondContact O-CD 3.29Å; E37-K41 WeakPolarHBondContact O-CG 3.38Å; E37-K41 PolarHBondContact O-N 2.94Å; T38-K41 PolarHBondContact O-N 2.83Å; F39-K41 VanDerWaalsContact C-N 3.28Å; F39-K41 PolarHBondContact O-N 3Å
42M97.2Very high95.9Very high82 Ų8265 Ų6540%0.40433%0.333SS..Hα-helixtrans-82-32.1-178-72-177.165.900113V5 A8 T38 F39V5-M42 HydrophobicContact CG2-SD 4.15Å; A8-M42 HydrophobicContact CB-SD 3.68Å; T38-M42 HydrophobicContact CG2-CG 4.36Å; T38-M42 HydrophobicContact CG2-SD 3.95Å; T38-M42 WeakPolarHBondContact O-CB 3.25Å; T38-M42 WeakPolarHBondContact O-CG 3.38Å; T38-M42 PolarHBondContact O-N 3.32Å; F39-M42 PolarHBondContact O-N 3.05Å; F39-M42 VanDerWaalsContact O-N 3.16Å
43Y96.8Very high95.8Very high66 Ų6664.9 Ų64.926%0.25933%0.328SS..  trans-132.467-175.2-53.8-71.3000110M1 V5 F39 D45 S46M1-Y43 HydrophobicContact CB-CE2 4.04Å; M1-Y43 HydrophobicContact CG-CE1 4.26Å; M1-Y43 HydrophobicContact CG-CE2 4.3Å; V5-Y43 HydrophobicContact CG2-CD2 4.06Å; V5-Y43 HydrophobicContact CG2-CE2 3.58Å; F39-Y43 HydrophobicContact CD2-CD2 4.07Å; F39-Y43 HydrophobicContact CE2-CD2 4.03Å; F39-Y43 HydrophobicContact CG-CD2 4.49Å; F39-Y43 HydrophobicContact CZ-CD2 4.46Å; F39-Y43 PolarHBondContact O-N 2.93Å; Y43-D45 PolarHBondContact O-N 3.28Å; Y43-S46 WeakPolarHBondContact O-CB 3.28Å; Y43-S46 PolarHBondContact O-N 3.45Å; Y43-S46 VanDerWaalsContact O-N 3.11Å
44P95.6Very high95.5Very high96 Ų9662.9 Ų62.962%0.62332%0.318SS*.THydrogen-bonded Turntrans-64.3-26-174.726.3-35.5000113.8H40 S46H40-P44 VanDerWaalsContact O-CA 3.28Å; H40-P44 WeakPolarHBondContact O-CA 3.19Å; P44-S46 VanDerWaalsContact C-N 3.33Å
45D96.2Very high95.2Very high160 Ų16067.3 Ų67.386%0.85634%0.335SS*.THydrogen-bonded Turntrans-91.35.8178.7-53-55.7000113.1Y43Y43-D45 PolarHBondContact O-N 3.28Å
46S95.8Very high94.7Very high21 Ų2173.6 Ų73.615%0.14737%0.373CS..  trans-77.4131.7-178.3173.60000111.1F39 Y43 P44 Y48F39-S46 WeakPolarHBondContact CE1-OG 3.2Å; F39-S46 WeakPolarHBondContact CZ-OG 3.27Å; Y43-S46 WeakPolarHBondContact O-CB 3.28Å; Y43-S46 PolarHBondContact O-N 3.45Å; Y43-S46 VanDerWaalsContact O-N 3.11Å; P44-S46 VanDerWaalsContact C-N 3.33Å; S46-Y48 VanDerWaalsContact C-N 3.31Å; S46-Y48 PolarHBondContact O-N 3.45Å; S46-Y48 WeakPolarHBondContact OG-CD2 3.17Å; S46-Y48 PolarHBondContact OG-N 3.14Å
47P96Very high94.3Very high62 Ų6275.6 Ų75.640%0.40339%0.392SS..  trans-84.4-2.6178.635.6-37.1000113.8E64P47-E64 HydrophobicContact CB-CG 3.85Å; P47-E64 HydrophobicContact CG-CG 3.87Å; P47-E64 VanDerWaalsContact CG-OE1 3.27Å; P47-E64 WeakPolarHBondContact CG-OE1 3.41Å; P47-E64 WeakPolarHBondContact O-CA 3.35Å
48Y97.2Very high94Very high69 Ų6980 Ų8027%0.27140%0.404SS..  trans-77.6126.7-173.9-58.6-58.2000113M1 W36 F39 S46 L62 E64M1-Y48 HydrophobicContact CE-CD2 3.92Å; M1-Y48 HydrophobicContact CE-CE2 3.46Å; M1-Y48 VanDerWaalsContact CE-CE2 3.46Å; W36-Y48 WeakPolarHBondContact CZ3-O 3.44Å; F39-Y48 HydrophobicContact CZ-CD2 4.19Å; S46-Y48 VanDerWaalsContact C-N 3.31Å; S46-Y48 PolarHBondContact O-N 3.45Å; S46-Y48 WeakPolarHBondContact OG-CD2 3.17Å; S46-Y48 PolarHBondContact OG-N 3.14Å; Y48-L62 HydrophobicContact CD1-CB 3.66Å; Y48-L62 HydrophobicContact CD2-CB 4.03Å; Y48-L62 HydrophobicContact CD2-CD1 3.85Å; Y48-L62 HydrophobicContact CD2-CG 4.48Å; Y48-L62 HydrophobicContact CE1-CB 4.03Å; Y48-L62 HydrophobicContact CE2-CB 4.38Å; Y48-L62 HydrophobicContact CE2-CD1 4.28Å; Y48-L62 HydrophobicContact CG-CB 3.66Å; Y48-L62 HydrophobicContact CG-CD1 4.22Å; Y48-L62 HydrophobicContact CG-CG 4.37Å; Y48-E64 HydrophobicContact CD1-CG 4.03Å; Y48-E64 HydrophobicContact CE1-CG 4.22Å
49E95.3Very high93.8Very high97 Ų9787 Ų8745%0.45343%0.428SS..  trans-119.7-11.4178.3-67.1-65.8156.600112.7W36 H40 Y63W36-E49 WeakPolarHBondContact CH2-O 3.49Å; W36-E49 WeakPolarHBondContact CZ2-O 3.35Å; H40-E49 IonicContact CE1-OE2 3.92Å; H40-E49 IonicContact NE2-OE1 3.81Å; E49-Y63 PolarHBondContact N-O 3.39Å
50Y94.7Very high93.6Very high82 Ų8288.4 Ų88.432%0.32243%0.434SS..EExtended strand (participates in β ladder)trans-129.1146.8-177.5-61.1-92.3000111.1L62 Y63 T65 E66 M69Y50-L62 WeakPolarHBondContact O-CA 3.31Å; Y50-Y63 PolarHBondContact N-O 2.96Å; Y50-Y63 PolarHBondContact O-N 3.22Å; Y50-T65 VanDerWaalsContact CD2-C 3.45Å; Y50-E66 HydrophobicContact CD1-CB 4.32Å; Y50-E66 HydrophobicContact CD1-CG 4.31Å; Y50-E66 HydrophobicContact CE1-CB 3.71Å; Y50-E66 HydrophobicContact CE1-CG 3.78Å; Y50-E66 HydrophobicContact CE2-CB 4.07Å; Y50-M69 HydrophobicContact CD1-CE 4.3Å; Y50-M69 HydrophobicContact CD1-SD 4.09Å; Y50-M69 HydrophobicContact CG-SD 4.37Å
51V94.3Very high93.5Very high30 Ų3088.1 Ų88.118%0.18244%0.435CS..EExtended strand (participates in β ladder)trans-142.4134.6-178.962.90000109.8V2 F24 F35 W36 F60 D61 L62V2-V51 HydrophobicContact CG1-CG2 4.33Å; V2-V51 HydrophobicContact CG2-CG2 3.96Å; F24-V51 HydrophobicContact CE1-CG1 4.23Å; F24-V51 HydrophobicContact CE1-CG2 4.35Å; F24-V51 HydrophobicContact CE2-CG1 4.45Å; F24-V51 HydrophobicContact CZ-CG1 3.58Å; F24-V51 HydrophobicContact CZ-CG2 4.37Å; F35-V51 HydrophobicContact CE1-CG1 4.22Å; W36-V51 HydrophobicContact CH2-CB 4.19Å; W36-V51 HydrophobicContact CH2-CG1 4.28Å; W36-V51 HydrophobicContact CZ2-CB 3.96Å; W36-V51 HydrophobicContact CZ2-CG1 3.59Å; V51-F60 HydrophobicContact CG2-CB 4.46Å; V51-F60 HydrophobicContact CG2-CD1 4.08Å; V51-D61 VanDerWaalsContact CA-O 3.31Å; V51-D61 WeakPolarHBondContact CA-O 3.48Å; V51-L62 HydrophobicContact CB-CD2 3.74Å; V51-L62 HydrophobicContact CG2-CD2 3.8Å
52T92.3Very high93.4Very high44 Ų4482.1 Ų82.127%0.2741%0.41SS..EExtended strand (participates in β ladder)trans-122.4158.1172.964.80000109.8F60 D61 Y63 M69T52-F60 VanDerWaalsContact O-CA 3.26Å; T52-F60 WeakPolarHBondContact O-CA 3.37Å; T52-D61 PolarHBondContact N-O 3.34Å; T52-D61 PolarHBondContact O-N 3.25Å; T52-D61 VanDerWaalsContact O-N 3.1Å; T52-Y63 HydrophobicContact CG2-CD2 4.43Å; T52-Y63 HydrophobicContact CG2-CE2 3.7Å; T52-Y63 WeakPolarHBondContact OG1-CE2 3.26Å; T52-Y63 PolarHBondContact OG1-OH 3.25Å; T52-M69 HydrophobicContact CG2-CG 3.41Å; T52-M69 VanDerWaalsContact CG2-CG 3.41Å; T52-M69 HydrophobicContact CG2-SD 3.62Å
53F92.7Very high93.4Very high37 Ų3779.4 Ų79.416%0.16240%0.396CS..EExtended strand (participates in β ladder)trans-121.7115.8172.8-178.9-107.8000109.9F21 I25 H55 R58 R59 F60F21-F53 HydrophobicContact CE1-CZ 4.49Å; F21-F53 HydrophobicContact CE2-CE2 4.27Å; F21-F53 HydrophobicContact CZ-CE1 4.37Å; F21-F53 AromaticContact CZ-CE2 3.82Å; F21-F53 HydrophobicContact CZ-CE2 3.82Å; F21-F53 AromaticContact CZ-CZ 3.7Å; F21-F53 HydrophobicContact CZ-CZ 3.7Å; I25-F53 HydrophobicContact CB-CD1 4.05Å; I25-F53 HydrophobicContact CB-CG 4.4Å; I25-F53 HydrophobicContact CD1-CE1 4.36Å; I25-F53 HydrophobicContact CG2-CB 4.04Å; I25-F53 HydrophobicContact CG2-CD1 3.65Å; I25-F53 HydrophobicContact CG2-CD2 4.17Å; I25-F53 HydrophobicContact CG2-CE1 4.12Å; I25-F53 HydrophobicContact CG2-CG 3.67Å; F53-H55 AromaticContact CD1-CE1 3.86Å; F53-H55 AromaticContact CD1-ND1 3.91Å; F53-H55 AromaticContact CD1-NE2 3.97Å; F53-H55 AromaticContact CE1-ND1 3.83Å; F53-H55 PolarHBondContact O-N 3.03Å; F53-R58 HydrophobicContact CZ-CB 4.29Å; F53-R59 WeakPolarHBondContact CA-O 3.14Å; F53-R59 VanDerWaalsContact CD2-O 3.24Å; F53-R59 WeakPolarHBondContact CD2-O 3.34Å; F53-F60 HydrophobicContact CB-CD1 3.86Å; F53-F60 HydrophobicContact CB-CE1 3.77Å; F53-F60 AromaticContact CD2-CD1 3.66Å; F53-F60 HydrophobicContact CD2-CD1 3.66Å; F53-F60 HydrophobicContact CD2-CD2 4.2Å; F53-F60 AromaticContact CD2-CE1 3.5Å; F53-F60 HydrophobicContact CD2-CE1 3.5Å; F53-F60 VanDerWaalsContact CD2-CE1 3.5Å; F53-F60 HydrophobicContact CD2-CE2 4.08Å; F53-F60 HydrophobicContact CD2-CG 4.01Å; F53-F60 AromaticContact CD2-CZ 3.72Å; F53-F60 HydrophobicContact CD2-CZ 3.72Å; F53-F60 HydrophobicContact CE2-CE1 4.43Å; F53-F60 HydrophobicContact CE2-CE2 4.32Å; F53-F60 HydrophobicContact CE2-CZ 4.23Å; F53-F60 HydrophobicContact CG-CD1 4.21Å; F53-F60 AromaticContact CG-CE1 3.93Å; F53-F60 HydrophobicContact CG-CE1 3.93Å; F53-F60 HydrophobicContact CG-CZ 4.43Å
54C89.2Confident93.3Very high40 Ų4080.7 Ų80.727%0.2740%0.404SS..EExtended strand (participates in β ladder)trans-77.3108.5172.6-1770000109.6T56 C57 R58 R59C54-T56 VanDerWaalsContact C-N 3.26Å; C54-T56 PolarHBondContact O-N 2.91Å; C54-C57 HydrophobicContact CB-CB 4.02Å; C54-C57 VanDerWaalsContact SG-CB 3.56Å; C54-C57 PolarHBondContact SG-N 3.05Å; C54-R58 VanDerWaalsContact O-CA 3.23Å; C54-R58 WeakPolarHBondContact O-CA 3.48Å; C54-R58 PolarHBondContact O-N 2.63Å; C54-R59 PolarHBondContact N-O 3.29Å
55H87.2Confident93.2Very high128 Ų12879.1 Ų79.159%0.59339%0.393SS*.THydrogen-bonded Turntrans-63.6-31.1179.2-73.4-88.3000113.3F53F53-H55 AromaticContact CD1-CE1 3.86Å; F53-H55 AromaticContact CD1-ND1 3.91Å; F53-H55 AromaticContact CD1-NE2 3.97Å; F53-H55 AromaticContact CE1-ND1 3.83Å; F53-H55 PolarHBondContact O-N 3.03Å
56T87.7Confident93Very high132 Ų13275.5 Ų75.581%0.8137%0.371SS*.THydrogen-bonded Turntrans-74.8-51.4178.2-51.30000111.3C54 R58C54-T56 VanDerWaalsContact C-N 3.26Å; C54-T56 PolarHBondContact O-N 2.91Å; T56-R58 VanDerWaalsContact C-N 3.34Å
57C88.8Confident92.8Very high81 Ų8177.8 Ų77.855%0.54739%0.391SS..THydrogen-bonded Turntrans-81.1-14.9-177.3-61.20000113.3C54 R59C54-C57 HydrophobicContact CB-CB 4.02Å; C54-C57 VanDerWaalsContact SG-CB 3.56Å; C54-C57 PolarHBondContact SG-N 3.05Å; C57-R59 VanDerWaalsContact C-N 3.29Å; C57-R59 HydrophobicContact CB-CB 4.5Å; C57-R59 HydrophobicContact CB-CG 4.49Å; C57-R59 PolarHBondContact O-N 3.25Å
58R89.6Confident92.6Very high196 Ų19679.3 Ų79.374%0.7439%0.393SS*.THydrogen-bonded Turntrans54.342.4-173.6-58.1-177.6173.8-177.4-1.4112.8F53 C54 T56F53-R58 HydrophobicContact CZ-CB 4.29Å; C54-R58 VanDerWaalsContact O-CA 3.23Å; C54-R58 WeakPolarHBondContact O-CA 3.48Å; C54-R58 PolarHBondContact O-N 2.63Å; T56-R58 VanDerWaalsContact C-N 3.34Å
59R92.3Very high92.4Very high173 Ų17378.2 Ų78.265%0.65339%0.39SS*.EExtended strand (participates in β ladder)trans-125.2154.5-179.3-70.2-179.8-172.91711.5110.7F53 C54 C57F53-R59 WeakPolarHBondContact CA-O 3.14Å; F53-R59 VanDerWaalsContact CD2-O 3.24Å; F53-R59 WeakPolarHBondContact CD2-O 3.34Å; C54-R59 PolarHBondContact N-O 3.29Å; C57-R59 VanDerWaalsContact C-N 3.29Å; C57-R59 HydrophobicContact CB-CB 4.5Å; C57-R59 HydrophobicContact CB-CG 4.49Å; C57-R59 PolarHBondContact O-N 3.25Å
60F93.9Very high92.1Very high31 Ų3179.8 Ų79.814%0.13640%0.396CS..EExtended strand (participates in β ladder)trans-104.3137.4171.1-68.2-78.6000108.5V2 K3 L6 F21 F24 I25 V51 T52 F53V2-F60 HydrophobicContact CB-CB 4.02Å; V2-F60 HydrophobicContact CB-CD2 3.97Å; V2-F60 HydrophobicContact CB-CG 3.96Å; V2-F60 HydrophobicContact CG1-CB 4.13Å; V2-F60 HydrophobicContact CG1-CD1 3.76Å; V2-F60 HydrophobicContact CG1-CD2 3.67Å; V2-F60 HydrophobicContact CG1-CE1 3.99Å; V2-F60 HydrophobicContact CG1-CE2 3.89Å; V2-F60 HydrophobicContact CG1-CG 3.59Å; V2-F60 HydrophobicContact CG1-CZ 4.05Å; V2-F60 HydrophobicContact CG2-CB 3.87Å; V2-F60 HydrophobicContact CG2-CG 4.28Å; K3-F60 HydrophobicContact CG-CD2 4.39Å; K3-F60 HydrophobicContact CG-CE2 4.33Å; L6-F60 HydrophobicContact CD1-CE2 4.02Å; L6-F60 HydrophobicContact CD1-CZ 3.76Å; F21-F60 HydrophobicContact CD2-CE2 4.25Å; F21-F60 HydrophobicContact CD2-CZ 4.01Å; F21-F60 AromaticContact CE2-CE2 3.64Å; F21-F60 HydrophobicContact CE2-CE2 3.64Å; F21-F60 AromaticContact CE2-CZ 3.51Å; F21-F60 HydrophobicContact CE2-CZ 3.51Å; F21-F60 HydrophobicContact CZ-CZ 4.36Å; F24-F60 AromaticContact CD1-CE1 3.77Å; F24-F60 HydrophobicContact CD1-CE1 3.77Å; F24-F60 HydrophobicContact CD1-CZ 4.12Å; F24-F60 HydrophobicContact CE1-CD1 4.25Å; F24-F60 AromaticContact CE1-CE1 3.66Å; F24-F60 HydrophobicContact CE1-CE1 3.66Å; F24-F60 HydrophobicContact CE1-CZ 4.29Å; I25-F60 HydrophobicContact CG2-CE1 4.09Å; I25-F60 HydrophobicContact CG2-CZ 4.11Å; V51-F60 HydrophobicContact CG2-CB 4.46Å; V51-F60 HydrophobicContact CG2-CD1 4.08Å; T52-F60 VanDerWaalsContact O-CA 3.26Å; T52-F60 WeakPolarHBondContact O-CA 3.37Å; F53-F60 HydrophobicContact CB-CD1 3.86Å; F53-F60 HydrophobicContact CB-CE1 3.77Å; F53-F60 AromaticContact CD2-CD1 3.66Å; F53-F60 HydrophobicContact CD2-CD1 3.66Å; F53-F60 HydrophobicContact CD2-CD2 4.2Å; F53-F60 AromaticContact CD2-CE1 3.5Å; F53-F60 HydrophobicContact CD2-CE1 3.5Å; F53-F60 VanDerWaalsContact CD2-CE1 3.5Å; F53-F60 HydrophobicContact CD2-CE2 4.08Å; F53-F60 HydrophobicContact CD2-CG 4.01Å; F53-F60 AromaticContact CD2-CZ 3.72Å; F53-F60 HydrophobicContact CD2-CZ 3.72Å; F53-F60 HydrophobicContact CE2-CE1 4.43Å; F53-F60 HydrophobicContact CE2-CE2 4.32Å; F53-F60 HydrophobicContact CE2-CZ 4.23Å; F53-F60 HydrophobicContact CG-CD1 4.21Å; F53-F60 AromaticContact CG-CE1 3.93Å; F53-F60 HydrophobicContact CG-CE1 3.93Å; F53-F60 HydrophobicContact CG-CZ 4.43Å
61D93.7Very high91.8Very high65 Ų6579 Ų7935%0.34841%0.406SS..EExtended strand (participates in β ladder)trans-117.1143173.4-60.5-62.9000108V51 T52 Y63V51-D61 VanDerWaalsContact CA-O 3.31Å; V51-D61 WeakPolarHBondContact CA-O 3.48Å; T52-D61 PolarHBondContact N-O 3.34Å; T52-D61 PolarHBondContact O-N 3.25Å; T52-D61 VanDerWaalsContact O-N 3.1Å; D61-Y63 HydrophobicContact CB-CE2 3.89Å; D61-Y63 WeakPolarHBondContact CB-OH 3.35Å
62L95.2Very high91.2Very high33 Ų3382.2 Ų82.217%0.17342%0.423CS..EExtended strand (participates in β ladder)trans-119.7139.8-177.1-75.1168.3000108.5M1 V2 W36 F39 Y48 Y50 V51M1-L62 HydrophobicContact CB-CD1 4.31Å; M1-L62 HydrophobicContact CE-CD1 3.56Å; V2-L62 HydrophobicContact CG2-CD1 3.82Å; V2-L62 HydrophobicContact CG2-CD2 3.85Å; V2-L62 HydrophobicContact CG2-CG 3.84Å; W36-L62 HydrophobicContact CH2-CD2 4.2Å; F39-L62 HydrophobicContact CE2-CD1 4.17Å; F39-L62 HydrophobicContact CZ-CD1 4.36Å; Y48-L62 HydrophobicContact CD1-CB 3.66Å; Y48-L62 HydrophobicContact CD2-CB 4.03Å; Y48-L62 HydrophobicContact CD2-CD1 3.85Å; Y48-L62 HydrophobicContact CD2-CG 4.48Å; Y48-L62 HydrophobicContact CE1-CB 4.03Å; Y48-L62 HydrophobicContact CE2-CB 4.38Å; Y48-L62 HydrophobicContact CE2-CD1 4.28Å; Y48-L62 HydrophobicContact CG-CB 3.66Å; Y48-L62 HydrophobicContact CG-CD1 4.22Å; Y48-L62 HydrophobicContact CG-CG 4.37Å; Y50-L62 WeakPolarHBondContact O-CA 3.31Å; V51-L62 HydrophobicContact CB-CD2 3.74Å; V51-L62 HydrophobicContact CG2-CD2 3.8Å
63Y96.1Very high90.2Very high24 Ų2485.8 Ų85.89%0.09444%0.44CS..EExtended strand (participates in β ladder)trans-133.5145.8-177.9-45.1-96.9000109.8E49 Y50 T52 D61 E68 M69 D72E49-Y63 PolarHBondContact N-O 3.39Å; Y50-Y63 PolarHBondContact N-O 2.96Å; Y50-Y63 PolarHBondContact O-N 3.22Å; T52-Y63 HydrophobicContact CG2-CD2 4.43Å; T52-Y63 HydrophobicContact CG2-CE2 3.7Å; T52-Y63 WeakPolarHBondContact OG1-CE2 3.26Å; T52-Y63 PolarHBondContact OG1-OH 3.25Å; D61-Y63 HydrophobicContact CB-CE2 3.89Å; D61-Y63 WeakPolarHBondContact CB-OH 3.35Å; Y63-E68 HydrophobicContact CD1-CB 4.08Å; Y63-M69 HydrophobicContact CD1-CB 4.19Å; Y63-M69 HydrophobicContact CD2-CB 3.64Å; Y63-M69 HydrophobicContact CD2-CG 3.68Å; Y63-M69 HydrophobicContact CE2-CB 4.12Å; Y63-M69 HydrophobicContact CE2-CG 3.79Å; Y63-M69 HydrophobicContact CG-CB 3.68Å; Y63-M69 HydrophobicContact CG-CG 4.25Å; Y63-D72 HydrophobicContact CE1-CB 3.77Å; Y63-D72 PolarHBondContact OH-OD2 3.1Å
64E95.7Very high88.8Confident94 Ų9487.8 Ų87.844%0.43946%0.456SS..SBendtrans-78-34.1177.4-58.5-174-170.500110P47 Y48 E68P47-E64 HydrophobicContact CB-CG 3.85Å; P47-E64 HydrophobicContact CG-CG 3.87Å; P47-E64 VanDerWaalsContact CG-OE1 3.27Å; P47-E64 WeakPolarHBondContact CG-OE1 3.41Å; P47-E64 WeakPolarHBondContact O-CA 3.35Å; Y48-E64 HydrophobicContact CD1-CG 4.03Å; Y48-E64 HydrophobicContact CE1-CG 4.22Å; E64-E68 PolarHBondContact N-OE2 3.21Å
65T93.8Very high87.4Confident62 Ų6292.4 Ų92.438%0.3847%0.472SS..SBendtrans-127153.8-178.270.70000112.9Y50 A67 E68 M69Y50-T65 VanDerWaalsContact CD2-C 3.45Å; T65-A67 PolarHBondContact O-N 3.2Å; T65-E68 PolarHBondContact N-OE2 2.9Å; T65-E68 PolarHBondContact O-N 3.42Å; T65-E68 WeakPolarHBondContact OG1-CG 3.24Å; T65-E68 PolarHBondContact OG1-N 3.45Å; T65-M69 PolarHBondContact O-N 2.94Å
66E92.4Very high86.1Confident84 Ų8497.3 Ų97.339%0.39349%0.486SS..Hα-helixtrans-61.4-31.4173.8-159.9-173.8170.800111.9Y50 M69 K70Y50-E66 HydrophobicContact CD1-CB 4.32Å; Y50-E66 HydrophobicContact CD1-CG 4.31Å; Y50-E66 HydrophobicContact CE1-CB 3.71Å; Y50-E66 HydrophobicContact CE1-CG 3.78Å; Y50-E66 HydrophobicContact CE2-CB 4.07Å; E66-M69 HydrophobicContact CG-CE 3.99Å; E66-M69 PolarHBondContact O-N 2.91Å; E66-K70 HydrophobicContact CG-CD 4.15Å; E66-K70 WeakPolarHBondContact O-CB 3.34Å; E66-K70 WeakPolarHBondContact O-CG 3.39Å; E66-K70 PolarHBondContact O-N 3.38Å; E66-K70 WeakPolarHBondContact OE1-CE 3.23Å; E66-K70 IonicContact OE1-NZ 2.63Å; E66-K70 PolarHBondContact OE1-NZ 3.49Å
67A91.7Very high84.5Confident69 Ų69103.5 Ų103.557%0.5749%0.494SS*.Hα-helixtrans-66.7-43.5-179.800000111.8T65 K70 A71T65-A67 PolarHBondContact O-N 3.2Å; A67-K70 PolarHBondContact O-N 3.15Å; A67-A71 VanDerWaalsContact O-CB 3.25Å; A67-A71 WeakPolarHBondContact O-CB 3.25Å; A67-A71 PolarHBondContact O-N 3.37Å
68E91.6Very high84.3Confident94 Ų94104.7 Ų104.744%0.43949%0.492SS..Hα-helixtrans-62.2-46173.9-72.9171.9160.700111.3Y63 E64 T65 K70 A71 D72Y63-E68 HydrophobicContact CD1-CB 4.08Å; E64-E68 PolarHBondContact N-OE2 3.21Å; T65-E68 PolarHBondContact N-OE2 2.9Å; T65-E68 PolarHBondContact O-N 3.42Å; T65-E68 WeakPolarHBondContact OG1-CG 3.24Å; T65-E68 PolarHBondContact OG1-N 3.45Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 2.58Å; E68-A71 PolarHBondContact O-N 3.31Å; E68-A71 VanDerWaalsContact O-N 3.15Å; E68-D72 PolarHBondContact O-N 2.79Å
69M92.2Very high84Confident46 Ų4699.8 Ų99.823%0.22748%0.479CS..Hα-helixtrans-56.8-45.2176.6-176.1-169.170.200111.7Y50 T52 Y63 T65 E66 D72Y50-M69 HydrophobicContact CD1-CE 4.3Å; Y50-M69 HydrophobicContact CD1-SD 4.09Å; Y50-M69 HydrophobicContact CG-SD 4.37Å; T52-M69 HydrophobicContact CG2-CG 3.41Å; T52-M69 VanDerWaalsContact CG2-CG 3.41Å; T52-M69 HydrophobicContact CG2-SD 3.62Å; Y63-M69 HydrophobicContact CD1-CB 4.19Å; Y63-M69 HydrophobicContact CD2-CB 3.64Å; Y63-M69 HydrophobicContact CD2-CG 3.68Å; Y63-M69 HydrophobicContact CE2-CB 4.12Å; Y63-M69 HydrophobicContact CE2-CG 3.79Å; Y63-M69 HydrophobicContact CG-CB 3.68Å; Y63-M69 HydrophobicContact CG-CG 4.25Å; T65-M69 PolarHBondContact O-N 2.94Å; E66-M69 HydrophobicContact CG-CE 3.99Å; E66-M69 PolarHBondContact O-N 2.91Å; M69-D72 PolarHBondContact O-N 3.34Å
70K88.8Confident83.5Confident131 Ų13195.8 Ų95.857%0.5747%0.469SS*.Hα-helixtrans-72.2-27.4179-75.7173.6167.4169.80113.2E66 A67 E68 D72E66-K70 HydrophobicContact CG-CD 4.15Å; E66-K70 WeakPolarHBondContact O-CB 3.34Å; E66-K70 WeakPolarHBondContact O-CG 3.39Å; E66-K70 PolarHBondContact O-N 3.38Å; E66-K70 WeakPolarHBondContact OE1-CE 3.23Å; E66-K70 IonicContact OE1-NZ 2.63Å; E66-K70 PolarHBondContact OE1-NZ 3.49Å; A67-K70 PolarHBondContact O-N 3.15Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 2.58Å; K70-D72 VanDerWaalsContact C-N 3.3Å
71A88.2Confident82.9Confident65 Ų6599.6 Ų99.654%0.53749%0.488SS..Hα-helixtrans-78-15.3178.700000113.4A67 E68 D73A67-A71 VanDerWaalsContact O-CB 3.25Å; A67-A71 WeakPolarHBondContact O-CB 3.25Å; A67-A71 PolarHBondContact O-N 3.37Å; E68-A71 PolarHBondContact O-N 3.31Å; E68-A71 VanDerWaalsContact O-N 3.15Å; A71-D73 PolarHBondContact O-N 3.04Å
72D82.8Confident82.2Confident98 Ų98101.8 Ų101.852%0.52450%0.497SS..THydrogen-bonded Turntrans-78.9-2.6177.6-158.643.8000113.5Y63 E68 M69 K70Y63-D72 HydrophobicContact CE1-CB 3.77Å; Y63-D72 PolarHBondContact OH-OD2 3.1Å; E68-D72 PolarHBondContact O-N 2.79Å; M69-D72 PolarHBondContact O-N 3.34Å; K70-D72 VanDerWaalsContact C-N 3.3Å
73D69.7Low81.4Confident118 Ų118106.3 Ų106.363%0.63152%0.519SS*.SBendtrans-60.1138.8172-156.820.7000110A71 K75A71-D73 PolarHBondContact O-N 3.04Å; D73-K75 PolarHBondContact O-N 3.44Å
74P64.6Low80.3Confident79 Ų79112.2 Ų112.251%0.51355%0.549SS..  trans-55.6119.6-179.9-25.135.2000110.7W76P74-W76 HydrophobicContact CB-CZ2 4.45Å; P74-W76 PolarHBondContact O-N 3.36Å; P74-W76 VanDerWaalsContact O-N 3.12Å; P74-W76 PolarHBondContact O-NE1 3.12Å
75K59.8Low79.1Confident137 Ų137113.6 Ų113.660%0.59656%0.558SS**  trans-71.6105.5170.8-77.5157.6162.2-177.70108.2D73 W77D73-K75 PolarHBondContact O-N 3.44Å; K75-W77 HydrophobicContact CB-CD2 3.88Å; K75-W77 HydrophobicContact CB-CE3 3.97Å; K75-W77 HydrophobicContact CB-CH2 4.32Å; K75-W77 HydrophobicContact CB-CZ2 4.16Å; K75-W77 HydrophobicContact CB-CZ3 4.19Å; K75-W77 HydrophobicContact CD-CE3 4.36Å; K75-W77 HydrophobicContact CD-CH2 3.33Å; K75-W77 HydrophobicContact CD-CZ2 3.59Å; K75-W77 HydrophobicContact CD-CZ3 3.72Å; K75-W77 VanDerWaalsContact CE-CH2 3.44Å; K75-W77 HydrophobicContact CG-CD2 4.45Å; K75-W77 HydrophobicContact CG-CE3 4.11Å; K75-W77 HydrophobicContact CG-CH2 3.98Å; K75-W77 HydrophobicContact CG-CZ2 4.26Å; K75-W77 HydrophobicContact CG-CZ3 3.85Å; K75-W77 PolarHBondContact O-N 3.18Å
76W59.8Low77.9Confident232 Ų232117.9 Ų117.988%0.87957%0.573SS**  trans-79.523.2179.5-62.396.7000114.2P74P74-W76 HydrophobicContact CB-CZ2 4.45Å; P74-W76 PolarHBondContact O-N 3.36Å; P74-W76 VanDerWaalsContact O-N 3.12Å; P74-W76 PolarHBondContact O-NE1 3.12Å
77W53.4Low76.6Confident262 Ų262121 Ų12199%0.99259%0.589SS**  trans-77.70173.560.253.5000111.2K75K75-W77 HydrophobicContact CB-CD2 3.88Å; K75-W77 HydrophobicContact CB-CE3 3.97Å; K75-W77 HydrophobicContact CB-CH2 4.32Å; K75-W77 HydrophobicContact CB-CZ2 4.16Å; K75-W77 HydrophobicContact CB-CZ3 4.19Å; K75-W77 HydrophobicContact CD-CE3 4.36Å; K75-W77 HydrophobicContact CD-CH2 3.33Å; K75-W77 HydrophobicContact CD-CZ2 3.59Å; K75-W77 HydrophobicContact CD-CZ3 3.72Å; K75-W77 VanDerWaalsContact CE-CH2 3.44Å; K75-W77 HydrophobicContact CG-CD2 4.45Å; K75-W77 HydrophobicContact CG-CE3 4.11Å; K75-W77 HydrophobicContact CG-CH2 3.98Å; K75-W77 HydrophobicContact CG-CZ2 4.26Å; K75-W77 HydrophobicContact CG-CZ3 3.85Å; K75-W77 PolarHBondContact O-N 3.18Å

Retrieved 77 of 77 residues in 45.6 ms (Link to these results)

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