A0A087XRZ4_POEFO Loading...

Deubiquitinase DESI2

AlphaFold DB (A0A3B3TLE6), UniProt , Accession A0A087XRZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 209 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
1M45.9Very low77.3Confident228 Ų22881.5 Ų81.5100%1.12345%0.453SS*.  0126.20-62-71.5-159.900106V3M1-V3 PolarHBondContact O-N 3.41Å
2P50.9Low79.1Confident116 Ų11674.8 Ų74.875%0.75342%0.415SS*.  trans-56.3135.3166.8-13.327.3000107.7M4P2-M4 PolarHBondContact O-N 2.74Å; P2-M4 VanDerWaalsContact O-N 3.08Å
3V55.6Low80.5Confident144 Ų14469 Ų6987%0.87338%0.383SS*.  trans-68.7106.5170.1177.80000105.2M1 A5M1-V3 PolarHBondContact O-N 3.41Å; V3-A5 PolarHBondContact O-N 2.87Å
4M57.3Low81.5Confident123 Ų12364.1 Ų64.161%0.60636%0.356SS*.  trans-65.8115.8169.1-60.9-93.3-78.100105.4P2 N6 D81P2-M4 PolarHBondContact O-N 2.74Å; P2-M4 VanDerWaalsContact O-N 3.08Å; M4-N6 PolarHBondContact O-N 2.77Å; M4-D81 HydrophobicContact CE-CB 4.46Å; M4-D81 WeakPolarHBondContact CE-OD1 3.15Å; M4-D81 WeakPolarHBondContact CE-OD2 3.35Å; M4-D81 HydrophobicContact SD-CB 4.44Å
5A66.1Low82.1Confident26 Ų2663 Ų6322%0.21535%0.349CS..  trans-59.3127.5164.900000105.7V3 Y38 T80 D81V3-A5 PolarHBondContact O-N 2.87Å; A5-Y38 WeakPolarHBondContact CB-OH 3Å; A5-T80 CarbonylContact C-O 3.5Å; A5-T80 CarbonylContact O-C 3.5Å; A5-D81 VanDerWaalsContact O-CA 3.27Å; A5-D81 WeakPolarHBondContact O-CA 3.31Å
6N87.6Confident82.3Confident117 Ų11760.4 Ų60.463%0.62633%0.334SS*.  trans-112.660.9174.8-177.435.3000106.7M4 S79M4-N6 PolarHBondContact O-N 2.77Å; N6-S79 WeakPolarHBondContact OD1-CB 3.33Å; N6-S79 PolarHBondContact OD1-OG 2.86Å
7E95.4Very high81.8Confident56 Ų5662.4 Ų62.426%0.26234%0.336SS..EExtended strand (participates in β ladder)trans-81.9126.6-170.8-172.864.5-163.100109.4I37 Y38 S79 T80E7-I37 HydrophobicContact CG-CD1 4.33Å; E7-I37 HydrophobicContact CG-CG1 3.65Å; E7-Y38 HydrophobicContact CB-CE1 3.78Å; E7-Y38 HydrophobicContact CB-CE2 4.29Å; E7-Y38 HydrophobicContact CG-CD1 3.7Å; E7-Y38 HydrophobicContact CG-CD2 4.25Å; E7-Y38 HydrophobicContact CG-CE1 3.46Å; E7-Y38 VanDerWaalsContact CG-CE1 3.46Å; E7-Y38 HydrophobicContact CG-CE2 4.04Å; E7-Y38 HydrophobicContact CG-CG 4.08Å; E7-Y38 PolarHBondContact OE1-N 3.3Å; E7-S79 CarbonylContact O-C 3.59Å; E7-S79 WeakPolarHBondContact O-CA 3.48Å; E7-S79 VanDerWaalsContact O-CB 3.25Å; E7-S79 WeakPolarHBondContact O-CB 3.49Å; E7-T80 HydrophobicContact CB-CG2 4.26Å; E7-T80 PolarHBondContact N-O 3.36Å; E7-T80 PolarHBondContact O-N 3.46Å
8P96.9Very high81.1Confident55 Ų5566.2 Ų66.236%0.35735%0.345SS..EExtended strand (participates in β ladder)trans-66.3139.1177.727.5-34.9000111.6
9I97.9Very high80.5Confident0 Ų063.5 Ų63.50%033%0.331CS..EExtended strand (participates in β ladder)trans-100.9120.8169.3-54.2-53.8000108.4I35 I37 L77 G78 T80 L121 C122I9-I35 HydrophobicContact CG2-CG2 3.85Å; I9-I37 HydrophobicContact CD1-CB 4Å; I9-I37 HydrophobicContact CD1-CD1 3.37Å; I9-I37 HydrophobicContact CD1-CG1 3.63Å; I9-L77 HydrophobicContact CG2-CB 4.37Å; I9-L77 HydrophobicContact CG2-CD1 4.32Å; I9-L77 PolarHBondContact O-N 3.38Å; I9-G78 PolarHBondContact N-O 3.36Å; I9-T80 HydrophobicContact CD1-CG2 3.58Å; I9-T80 HydrophobicContact CG1-CG2 4.32Å; I9-L121 HydrophobicContact CD1-CB 4.17Å; I9-L121 HydrophobicContact CD1-CD1 3.98Å; I9-L121 HydrophobicContact CG1-CB 4.29Å; I9-C122 HydrophobicContact CG1-CB 4.18Å
10I98.5Very high79.9Confident32 Ų3261.2 Ų61.216%0.16432%0.319CS..EExtended strand (participates in β ladder)trans-116.9135.4-177.4-59.9165.5000108.8I35 E36 A74 V76I10-I35 CarbonylContact O-C 3.59Å; I10-I35 WeakPolarHBondContact O-CA 3.18Å; I10-E36 HydrophobicContact CB-CB 4.05Å; I10-E36 HydrophobicContact CB-CG 4.39Å; I10-E36 PolarHBondContact N-O 3.24Å; I10-E36 PolarHBondContact O-N 3.08Å; I10-A74 HydrophobicContact CG2-CB 3.82Å; I10-V76 HydrophobicContact CG1-CG2 4.4Å
11L98.6Very high79.4Confident0 Ų065 Ų650%034%0.335CS..EExtended strand (participates in β ladder)trans-98.8114170.7-17973.4000108.9V13 I35 A74 I75 L77 I126 P127 V130L11-V13 HydrophobicContact CD2-CG2 4.02Å; L11-V13 HydrophobicContact CG-CG2 4.05Å; L11-I35 HydrophobicContact CD1-CD1 3.72Å; L11-A74 CarbonylContact O-C 3.56Å; L11-A74 WeakPolarHBondContact O-CA 3.25Å; L11-I75 HydrophobicContact CB-CB 4.32Å; L11-I75 PolarHBondContact N-O 3.14Å; L11-I75 PolarHBondContact O-N 3.01Å; L11-L77 HydrophobicContact CB-CD1 3.94Å; L11-L77 HydrophobicContact CB-CD2 4.08Å; L11-L77 HydrophobicContact CB-CG 3.91Å; L11-L77 HydrophobicContact CD2-CD2 4.41Å; L11-I126 HydrophobicContact CD1-CB 4.39Å; L11-I126 HydrophobicContact CD1-CG2 3.54Å; L11-I126 HydrophobicContact CD2-CB 3.75Å; L11-I126 HydrophobicContact CD2-CG2 3.75Å; L11-I126 HydrophobicContact CG-CG2 4.25Å; L11-P127 HydrophobicContact CD2-CG 4.46Å; L11-V130 HydrophobicContact CD2-CG2 4.32Å
12N98.4Very high80.4Confident0 Ų058.8 Ų58.80%030%0.302CS..EExtended strand (participates in β ladder)trans-89.2129.6171.1-69.5-28.9000109.2Y14 S33 G34 E36 E41 F71 A74N12-Y14 HydrophobicContact CB-CE2 3.76Å; N12-S33 WeakPolarHBondContact O-CA 3.14Å; N12-S33 WeakPolarHBondContact O-CB 3.29Å; N12-G34 PolarHBondContact N-O 3.39Å; N12-G34 PolarHBondContact O-N 2.95Å; N12-E36 PolarHBondContact ND2-OE2 3.15Å; N12-E41 WeakPolarHBondContact CB-OE2 3.09Å; N12-E41 PolarHBondContact ND2-OE2 3.31Å; N12-F71 HydrophobicContact CB-CE2 4.21Å; N12-A74 VanDerWaalsContact OD1-CB 3.27Å; N12-A74 WeakPolarHBondContact OD1-CB 3.37Å
13V97.2Very high81.2Confident0 Ų053.2 Ų53.20%027%0.266CS..EExtended strand (participates in β ladder)trans-116.8133.6-177.8-173.80000109.3L11 F31 H32 K72 E73 I75 W129 V130L11-V13 HydrophobicContact CD2-CG2 4.02Å; L11-V13 HydrophobicContact CG-CG2 4.05Å; V13-F31 HydrophobicContact CG1-CB 3.99Å; V13-F31 HydrophobicContact CG1-CD1 4.13Å; V13-F31 HydrophobicContact CG1-CG 4.21Å; V13-H32 WeakPolarHBondContact CA-O 3.04Å; V13-K72 HydrophobicContact CG1-CD 4.27Å; V13-K72 WeakPolarHBondContact O-CA 3.26Å; V13-K72 VanDerWaalsContact O-CB 3.29Å; V13-K72 WeakPolarHBondContact O-CB 3.32Å; V13-K72 PolarHBondContact O-N 3.46Å; V13-E73 HydrophobicContact CB-CG 4.3Å; V13-E73 PolarHBondContact N-O 3.41Å; V13-E73 PolarHBondContact O-N 3.3Å; V13-I75 HydrophobicContact CG2-CD1 4.19Å; V13-W129 HydrophobicContact CB-CH2 4.44Å; V13-W129 HydrophobicContact CG1-CH2 3.88Å; V13-W129 HydrophobicContact CG1-CZ3 4.07Å; V13-W129 HydrophobicContact CG2-CH2 4.29Å; V13-V130 HydrophobicContact CG1-CG1 4.47Å; V13-V130 HydrophobicContact CG2-CG2 4.17Å
14Y94.8Very high81.8Confident0 Ų049.9 Ų49.90%025%0.249CC..EExtended strand (participates in β ladder)trans-124.2136.7-179.7-53.6-101.3000110N12 F31 H32 E41 S60 A62 L65 K70 F71N12-Y14 HydrophobicContact CB-CE2 3.76Å; Y14-F31 VanDerWaalsContact O-CA 3.3Å; Y14-F31 WeakPolarHBondContact O-CA 3.27Å; Y14-H32 AromaticContact CD2-CD2 3.72Å; Y14-H32 PolarHBondContact N-O 2.83Å; Y14-H32 PolarHBondContact O-N 3.24Å; Y14-E41 WeakPolarHBondContact CE2-OE1 3.49Å; Y14-E41 VanDerWaalsContact OH-CD 3.25Å; Y14-E41 PolarHBondContact OH-OE1 3.11Å; Y14-E41 PolarHBondContact OH-OE2 3.45Å; Y14-S60 WeakPolarHBondContact OH-CA 3.46Å; Y14-S60 PolarHBondContact OH-N 3.48Å; Y14-A62 HydrophobicContact CD1-CB 3.87Å; Y14-A62 HydrophobicContact CE1-CB 3.98Å; Y14-L65 HydrophobicContact CD1-CD1 3.84Å; Y14-L65 HydrophobicContact CD2-CD1 3.94Å; Y14-L65 HydrophobicContact CE1-CD1 3.96Å; Y14-L65 HydrophobicContact CE2-CD1 4.07Å; Y14-L65 HydrophobicContact CG-CD1 3.83Å; Y14-K70 CarbonylContact C-O 3.59Å; Y14-K70 VanDerWaalsContact CA-O 3.29Å; Y14-K70 WeakPolarHBondContact CA-O 3.4Å; Y14-F71 HydrophobicContact CD1-CB 4.06Å; Y14-F71 HydrophobicContact CD1-CD2 4.2Å; Y14-F71 HydrophobicContact CE1-CB 4.08Å; Y14-F71 AromaticContact CE1-CD2 3.77Å; Y14-F71 HydrophobicContact CE1-CD2 3.77Å; Y14-F71 HydrophobicContact CE1-CG 4.43Å
15D91Very high82.1Confident48 Ų4848.9 Ų48.926%0.25725%0.254SS..EExtended strand (participates in β ladder)trans-81.1120.6173.4-157.5-53000109.2Y17 N20 K70D15-Y17 VanDerWaalsContact C-N 3.25Å; D15-Y17 PolarHBondContact O-N 2.8Å; D15-Y17 VanDerWaalsContact O-N 3.14Å; D15-Y17 PolarHBondContact OD1-N 3.1Å; D15-N20 PolarHBondContact OD1-ND2 2.99Å; D15-K70 PolarHBondContact N-O 3.48Å; D15-K70 PolarHBondContact O-N 3.19Å
16M84.7Confident82Confident22 Ų2251.6 Ų51.611%0.10826%0.264CS..EExtended strand (participates in β ladder)trans-85.871.1172.3-65.3-17575.800109W18 I19 N20 V30 H32 F69M16-W18 PolarHBondContact O-N 3.37Å; M16-W18 VanDerWaalsContact O-N 3.13Å; M16-I19 HydrophobicContact CB-CB 4.44Å; M16-I19 HydrophobicContact CE-CD1 3.46Å; M16-I19 VanDerWaalsContact CE-CD1 3.46Å; M16-I19 HydrophobicContact CE-CG1 4.44Å; M16-I19 PolarHBondContact O-N 2.86Å; M16-I19 HydrophobicContact SD-CD1 4.27Å; M16-N20 PolarHBondContact O-N 2.84Å; M16-V30 HydrophobicContact CB-CG1 4.39Å; M16-V30 PolarHBondContact N-O 3.44Å; M16-V30 HydrophobicContact SD-CG1 3.82Å; M16-H32 HydrophobicContact CG-CB 4.16Å; M16-H32 HydrophobicContact SD-CB 4.22Å; M16-F69 HydrophobicContact CE-CE1 3.73Å; M16-F69 HydrophobicContact CE-CZ 3.69Å; M16-F69 HydrophobicContact CG-CD1 3.82Å; M16-F69 HydrophobicContact CG-CE1 3.52Å; M16-F69 HydrophobicContact CG-CZ 4.37Å; M16-F69 HydrophobicContact SD-CE1 3.9Å; M16-F69 HydrophobicContact SD-CZ 4.46Å
17Y73.9Confident81.1Confident94 Ų9449 Ų4937%0.36927%0.265SS..Hα-helixtrans-60.2-33.4-163.470-94.7000113D15 I19 N20 E21 E67 T68 K70D15-Y17 VanDerWaalsContact C-N 3.25Å; D15-Y17 PolarHBondContact O-N 2.8Å; D15-Y17 VanDerWaalsContact O-N 3.14Å; D15-Y17 PolarHBondContact OD1-N 3.1Å; Y17-I19 PolarHBondContact O-N 3.17Å; Y17-N20 CarbonylContact O-C 3.6Å; Y17-N20 PolarHBondContact O-N 3.29Å; Y17-N20 VanDerWaalsContact O-N 3.17Å; Y17-E21 PolarHBondContact O-N 2.96Å; Y17-E67 WeakPolarHBondContact CE1-O 3.35Å; Y17-E67 PolarHBondContact OH-O 2.93Å; Y17-T68 WeakPolarHBondContact CD1-O 3.34Å; Y17-T68 VanDerWaalsContact CE1-CA 3.42Å; Y17-T68 WeakPolarHBondContact CE1-O 3.39Å; Y17-T68 PolarHBondContact N-O 3.07Å; Y17-K70 HydrophobicContact CD1-CB 4.48Å
18W69.4Low80Confident130 Ų13046.6 Ų46.649%0.49225%0.254SS..Hα-helixtrans-65.4-40.2178.8-172.875.9000112.6M16 N20 T68 W151M16-W18 PolarHBondContact O-N 3.37Å; M16-W18 VanDerWaalsContact O-N 3.13Å; W18-N20 VanDerWaalsContact C-N 3.33Å; W18-T68 HydrophobicContact CB-CG2 4.12Å; W18-W151 AromaticContact CE3-CZ2 3.97Å; W18-W151 HydrophobicContact CE3-CZ2 3.97Å; W18-W151 AromaticContact CH2-CE2 3.74Å; W18-W151 AromaticContact CH2-CZ2 3.39Å; W18-W151 HydrophobicContact CH2-CZ2 3.39Å; W18-W151 AromaticContact CH2-NE1 3.59Å; W18-W151 HydrophobicContact CZ2-CZ2 4.28Å; W18-W151 HydrophobicContact CZ3-CD2 4.43Å; W18-W151 AromaticContact CZ3-CE2 3.33Å; W18-W151 HydrophobicContact CZ3-CH2 4.21Å; W18-W151 AromaticContact CZ3-CZ2 3.2Å; W18-W151 HydrophobicContact CZ3-CZ2 3.2Å; W18-W151 AromaticContact CZ3-NE1 3.29Å; W18-W151 VanDerWaalsContact CZ3-NE1 3.29Å
19I68.9Low79.1Confident15 Ų1545 Ų458%0.07725%0.247CC..Hα-helixtrans-70.7-37.6173-58.6-177.2000109.6M16 Y17 E21 F22 T23 V30 W151M16-I19 HydrophobicContact CB-CB 4.44Å; M16-I19 HydrophobicContact CE-CD1 3.46Å; M16-I19 VanDerWaalsContact CE-CD1 3.46Å; M16-I19 HydrophobicContact CE-CG1 4.44Å; M16-I19 PolarHBondContact O-N 2.86Å; M16-I19 HydrophobicContact SD-CD1 4.27Å; Y17-I19 PolarHBondContact O-N 3.17Å; I19-E21 VanDerWaalsContact C-N 3.28Å; I19-E21 PolarHBondContact O-N 3.05Å; I19-F22 WeakPolarHBondContact O-CB 3.39Å; I19-F22 PolarHBondContact O-N 2.82Å; I19-T23 HydrophobicContact CG2-CG2 4.04Å; I19-T23 PolarHBondContact O-N 2.75Å; I19-T23 PolarHBondContact O-OG1 2.79Å; I19-V30 HydrophobicContact CB-CB 4.44Å; I19-V30 HydrophobicContact CG2-CB 4.03Å; I19-V30 HydrophobicContact CG2-CG1 4.25Å; I19-V30 HydrophobicContact CG2-CG2 3.61Å; I19-W151 HydrophobicContact CB-CZ3 4.48Å; I19-W151 HydrophobicContact CG1-CE3 4.38Å; I19-W151 HydrophobicContact CG1-CZ3 4.49Å; I19-W151 HydrophobicContact CG2-CE3 4.03Å; I19-W151 HydrophobicContact CG2-CZ3 3.88Å
20N70.1Confident78.6Confident18 Ų1845.1 Ų45.110%0.09625%0.248CC..Hα-helixtrans-65-28.2178.1-72.1-25.7000113.2D15 M16 Y17 W18 F22 T23 S24 G29 V30D15-N20 PolarHBondContact OD1-ND2 2.99Å; M16-N20 PolarHBondContact O-N 2.84Å; Y17-N20 CarbonylContact O-C 3.6Å; Y17-N20 PolarHBondContact O-N 3.29Å; Y17-N20 VanDerWaalsContact O-N 3.17Å; W18-N20 VanDerWaalsContact C-N 3.33Å; N20-F22 PolarHBondContact O-N 2.88Å; N20-T23 PolarHBondContact O-N 2.79Å; N20-T23 PolarHBondContact OD1-OG1 3.15Å; N20-S24 WeakPolarHBondContact O-CA 3.29Å; N20-S24 WeakPolarHBondContact O-CB 3.13Å; N20-S24 PolarHBondContact O-N 2.94Å; N20-S24 PolarHBondContact O-OG 3.26Å; N20-G29 WeakPolarHBondContact OD1-CA 3.48Å; N20-V30 PolarHBondContact ND2-O 2.91Å; N20-V30 WeakPolarHBondContact OD1-CA 3.33Å; N20-V30 WeakPolarHBondContact OD1-CB 3.43Å; N20-V30 PolarHBondContact OD1-N 3.45Å
21E68.3Low78.3Confident142 Ų14244.9 Ų44.966%0.66425%0.246SC*.Hα-helixtrans-60.7-35.8170.7-74.5-172.4172.700112.1Y17 I19 S24Y17-E21 PolarHBondContact O-N 2.96Å; I19-E21 VanDerWaalsContact C-N 3.28Å; I19-E21 PolarHBondContact O-N 3.05Å; E21-S24 PolarHBondContact O-OG 2.93Å
22F66.1Low78.1Confident96 Ų9645.3 Ų45.342%0.42125%0.248SC..Hα-helixtrans-78.5-44.8176.6-169.7-98.8000112.2I19 N20 S25 C146 L147 W151I19-F22 WeakPolarHBondContact O-CB 3.39Å; I19-F22 PolarHBondContact O-N 2.82Å; N20-F22 PolarHBondContact O-N 2.88Å; F22-S25 PolarHBondContact O-OG 3.25Å; F22-C146 VanDerWaalsContact CE1-O 3.32Å; F22-C146 WeakPolarHBondContact CE1-O 3.43Å; F22-L147 HydrophobicContact CD1-CD2 4.33Å; F22-L147 HydrophobicContact CE1-CD2 4.36Å; F22-W151 HydrophobicContact CB-CH2 3.76Å; F22-W151 HydrophobicContact CB-CZ3 4.05Å; F22-W151 HydrophobicContact CD1-CH2 4.13Å; F22-W151 AromaticContact CD1-CZ3 3.87Å; F22-W151 HydrophobicContact CD1-CZ3 3.87Å; F22-W151 AromaticContact CG-CH2 3.9Å; F22-W151 HydrophobicContact CG-CH2 3.9Å; F22-W151 HydrophobicContact CG-CZ3 4.09Å
23T68.6Low78Confident0 Ų045.3 Ų45.30%025%0.248CC..Hα-helixtrans-87.7-13.3-173.561.70000114.5I19 N20 S25 L26 G27 I28 V30 L147I19-T23 HydrophobicContact CG2-CG2 4.04Å; I19-T23 PolarHBondContact O-N 2.75Å; I19-T23 PolarHBondContact O-OG1 2.79Å; N20-T23 PolarHBondContact O-N 2.79Å; N20-T23 PolarHBondContact OD1-OG1 3.15Å; T23-S25 PolarHBondContact O-N 3.41Å; T23-L26 CarbonylContact O-C 3.09Å; T23-L26 WeakPolarHBondContact O-CA 3.42Å; T23-L26 WeakPolarHBondContact O-CB 3.27Å; T23-L26 PolarHBondContact O-N 2.65Å; T23-G27 PolarHBondContact O-N 3.02Å; T23-I28 CarbonylContact C-O 3.51Å; T23-I28 VanDerWaalsContact CB-O 3.28Å; T23-I28 WeakPolarHBondContact CB-O 3.29Å; T23-I28 PolarHBondContact O-N 3.12Å; T23-I28 PolarHBondContact OG1-O 3.08Å; T23-V30 HydrophobicContact CG2-CG2 4.25Å; T23-L147 HydrophobicContact CG2-CD2 4Å
24S67.8Low78.1Confident74 Ų7445.3 Ų45.352%0.51725%0.248SC..G310 helixtrans-65.7-28.317649.50000112.3N20 E21 L26 G27N20-S24 WeakPolarHBondContact O-CA 3.29Å; N20-S24 WeakPolarHBondContact O-CB 3.13Å; N20-S24 PolarHBondContact O-N 2.94Å; N20-S24 PolarHBondContact O-OG 3.26Å; E21-S24 PolarHBondContact O-OG 2.93Å; S24-L26 PolarHBondContact O-N 3.46Å; S24-G27 PolarHBondContact O-N 3.39Å
25S64.5Low78.3Confident101 Ų10145.3 Ų45.371%0.70625%0.248SC*.G310 helixtrans-58.4-26.4168.367.10000113.2F22 T23F22-S25 PolarHBondContact O-OG 3.25Å; T23-S25 PolarHBondContact O-N 3.41Å
26L64.6Low78.6Confident83 Ų8345 Ų4544%0.43525%0.245SC..G310 helixtrans-96.5-1.2176-55.3176.4000112.7T23 S24 I28 L143T23-L26 CarbonylContact O-C 3.09Å; T23-L26 WeakPolarHBondContact O-CA 3.42Å; T23-L26 WeakPolarHBondContact O-CB 3.27Å; T23-L26 PolarHBondContact O-N 2.65Å; S24-L26 PolarHBondContact O-N 3.46Å; L26-I28 VanDerWaalsContact C-N 3.31Å; L26-I28 HydrophobicContact CB-CD1 3.92Å; L26-I28 HydrophobicContact CB-CG1 4.27Å; L26-I28 PolarHBondContact O-N 3.46Å; L26-L143 HydrophobicContact CD1-CD2 4.39Å
27G67.6Low79.2Confident62 Ų6244 Ų4464%0.63924%0.24SC*.THydrogen-bonded Turntrans70.921.4-176.900000114.4T23 S24T23-G27 PolarHBondContact O-N 3.02Å; S24-G27 PolarHBondContact O-N 3.39Å
28I73Confident80.3Confident7 Ų742.1 Ų42.14%0.03623%0.233CC..  trans-112.5116.4-175.4-56161.8000109.5T23 L26 L133 F136 L143T23-I28 CarbonylContact C-O 3.51Å; T23-I28 VanDerWaalsContact CB-O 3.28Å; T23-I28 WeakPolarHBondContact CB-O 3.29Å; T23-I28 PolarHBondContact O-N 3.12Å; T23-I28 PolarHBondContact OG1-O 3.08Å; L26-I28 VanDerWaalsContact C-N 3.31Å; L26-I28 HydrophobicContact CB-CD1 3.92Å; L26-I28 HydrophobicContact CB-CG1 4.27Å; L26-I28 PolarHBondContact O-N 3.46Å; I28-L133 HydrophobicContact CG2-CB 4.11Å; I28-L133 HydrophobicContact CG2-CD1 3.74Å; I28-F136 HydrophobicContact CD1-CD1 3.3Å; I28-F136 HydrophobicContact CD1-CE1 3.56Å; I28-F136 HydrophobicContact CD1-CG 4.02Å; I28-F136 HydrophobicContact CD1-CZ 4.46Å; I28-F136 HydrophobicContact CG1-CD1 4.14Å; I28-F136 HydrophobicContact CG1-CE1 4.4Å; I28-F136 HydrophobicContact CG1-CG 4.44Å; I28-L143 HydrophobicContact CD1-CD2 3.5Å
29G78.5Confident81.5Confident20 Ų2038.5 Ų38.521%0.20624%0.236CC..  trans-83.3135.8168.900000111.4N20N20-G29 WeakPolarHBondContact OD1-CA 3.48Å
30V85.3Confident82.8Confident4 Ų440.1 Ų40.12%0.02424%0.241CC..  trans-107.9120.4173.1-172.40000107.1M16 I19 N20 T23 L133M16-V30 HydrophobicContact CB-CG1 4.39Å; M16-V30 PolarHBondContact N-O 3.44Å; M16-V30 HydrophobicContact SD-CG1 3.82Å; I19-V30 HydrophobicContact CB-CB 4.44Å; I19-V30 HydrophobicContact CG2-CB 4.03Å; I19-V30 HydrophobicContact CG2-CG1 4.25Å; I19-V30 HydrophobicContact CG2-CG2 3.61Å; N20-V30 PolarHBondContact ND2-O 2.91Å; N20-V30 WeakPolarHBondContact OD1-CA 3.33Å; N20-V30 WeakPolarHBondContact OD1-CB 3.43Å; N20-V30 PolarHBondContact OD1-N 3.45Å; T23-V30 HydrophobicContact CG2-CG2 4.25Å; V30-L133 HydrophobicContact CG1-CD2 4.08Å; V30-L133 HydrophobicContact CG2-CB 4.39Å; V30-L133 HydrophobicContact CG2-CD1 4.32Å; V30-L133 HydrophobicContact CG2-CD2 3.81Å; V30-L133 HydrophobicContact CG2-CG 4.38Å
31F92.5Very high84.1Confident27 Ų2739.2 Ų39.212%0.11824%0.236CC..EExtended strand (participates in β ladder)trans-122.3145.3-178.7-57.3-72.9000109.4V13 Y14 K72 N111 W129 V130V13-F31 HydrophobicContact CG1-CB 3.99Å; V13-F31 HydrophobicContact CG1-CD1 4.13Å; V13-F31 HydrophobicContact CG1-CG 4.21Å; Y14-F31 VanDerWaalsContact O-CA 3.3Å; Y14-F31 WeakPolarHBondContact O-CA 3.27Å; F31-K72 HydrophobicContact CD1-CD 4.1Å; F31-K72 HydrophobicContact CE1-CD 3.74Å; F31-N111 PolarHBondContact O-ND2 2.92Å; F31-N111 PolarHBondContact O-OD1 3.09Å; F31-W129 HydrophobicContact CD1-CZ3 4.34Å; F31-W129 HydrophobicContact CD2-CE3 4.03Å; F31-W129 AromaticContact CD2-CZ3 3.94Å; F31-W129 HydrophobicContact CD2-CZ3 3.94Å; F31-W129 HydrophobicContact CE1-CZ3 4.32Å; F31-W129 AromaticContact CE2-CE3 3.86Å; F31-W129 HydrophobicContact CE2-CE3 3.86Å; F31-W129 AromaticContact CE2-CZ3 3.9Å; F31-W129 HydrophobicContact CE2-CZ3 3.9Å; F31-W129 HydrophobicContact CG-CZ3 4.16Å; F31-W129 HydrophobicContact CZ-CE3 4.39Å; F31-W129 HydrophobicContact CZ-CZ3 4.1Å; F31-V130 HydrophobicContact CB-CG1 4.16Å
32H94.6Very high85.6Confident8 Ų832.9 Ų32.94%0.03721%0.206CC..EExtended strand (participates in β ladder)trans-100.7146.6164.2175.379.5000108.9V13 Y14 M16 L65 F69 C110V13-H32 WeakPolarHBondContact CA-O 3.04Å; Y14-H32 AromaticContact CD2-CD2 3.72Å; Y14-H32 PolarHBondContact N-O 2.83Å; Y14-H32 PolarHBondContact O-N 3.24Å; M16-H32 HydrophobicContact CG-CB 4.16Å; M16-H32 HydrophobicContact SD-CB 4.22Å; H32-L65 VanDerWaalsContact CD2-CD1 3.44Å; H32-L65 WeakPolarHBondContact CD2-CD1 3.48Å; H32-F69 HydrophobicContact CB-CD1 3.98Å; H32-F69 HydrophobicContact CB-CE1 3.67Å; H32-F69 AromaticContact CG-CE1 3.94Å; H32-C110 VanDerWaalsContact ND1-CB 3.31Å; H32-C110 WeakPolarHBondContact ND1-CB 3.41Å; H32-C110 PolarHBondContact ND1-SG 3.12Å
33S97.4Very high87.1Confident0 Ų028.3 Ų28.30%019%0.186CC..EExtended strand (participates in β ladder)trans-137.8150.1173.467.60000113.2N12 N111 S114N12-S33 WeakPolarHBondContact O-CA 3.14Å; N12-S33 WeakPolarHBondContact O-CB 3.29Å; S33-N111 PolarHBondContact N-OD1 3.38Å; S33-N111 PolarHBondContact OG-OD1 3.34Å; S33-N111 VanDerWaalsContact OG-OD1 3.08Å; S33-S114 PolarHBondContact O-OG 3.17Å; S33-S114 VanDerWaalsContact O-OG 3.04Å; S33-S114 VanDerWaalsContact OG-CB 3.31Å; S33-S114 WeakPolarHBondContact OG-CB 3.32Å; S33-S114 PolarHBondContact OG-OG 2.91Å
34G98Very high88.4Confident0 Ų028.3 Ų28.30%019%0.186CC..EExtended strand (participates in β ladder)trans-130.4154.3171.200000111.1N12 E41 F42N12-G34 PolarHBondContact N-O 3.39Å; N12-G34 PolarHBondContact O-N 2.95Å; G34-E41 WeakPolarHBondContact CA-OE1 3.42Å; G34-F42 CarbonylContact C-O 3.6Å; G34-F42 VanDerWaalsContact CA-O 3.26Å; G34-F42 WeakPolarHBondContact CA-O 3.27Å
35I98.6Very high89.7Confident0 Ų025.6 Ų25.60%017%0.17CC..EExtended strand (participates in β ladder)trans-100115.8174.7-63.6-63.2000108.7I9 I10 L11 E41 F42 L77 L117 L121I9-I35 HydrophobicContact CG2-CG2 3.85Å; I10-I35 CarbonylContact O-C 3.59Å; I10-I35 WeakPolarHBondContact O-CA 3.18Å; L11-I35 HydrophobicContact CD1-CD1 3.72Å; I35-E41 CarbonylContact O-C 3.18Å; I35-E41 WeakPolarHBondContact O-CA 3.34Å; I35-F42 PolarHBondContact N-O 2.78Å; I35-F42 PolarHBondContact O-N 2.82Å; I35-L77 HydrophobicContact CD1-CD1 3.95Å; I35-L117 HydrophobicContact CB-CD2 3.85Å; I35-L117 HydrophobicContact CB-CG 4.46Å; I35-L117 HydrophobicContact CG1-CB 4.38Å; I35-L117 HydrophobicContact CG1-CD2 4.07Å; I35-L117 HydrophobicContact CG1-CG 4.33Å; I35-L117 HydrophobicContact CG2-CD2 4.12Å; I35-L117 HydrophobicContact CG2-CG 4.43Å; I35-L121 HydrophobicContact CG2-CD1 4.19Å
36E98.3Very high90.9Very high41 Ų4122.7 Ų22.719%0.19216%0.156CC..EExtended strand (participates in β ladder)trans-91.7129.3173171.3-173.7161.700110.7I10 N12 R40 E41 P59I10-E36 HydrophobicContact CB-CB 4.05Å; I10-E36 HydrophobicContact CB-CG 4.39Å; I10-E36 PolarHBondContact N-O 3.24Å; I10-E36 PolarHBondContact O-N 3.08Å; N12-E36 PolarHBondContact ND2-OE2 3.15Å; E36-R40 VanDerWaalsContact CA-O 3.26Å; E36-R40 WeakPolarHBondContact CA-O 3.42Å; E36-E41 HydrophobicContact CB-CB 4.43Å; E36-P59 HydrophobicContact CB-CB 4.41Å; E36-P59 VanDerWaalsContact CD-CB 3.45Å; E36-P59 HydrophobicContact CG-CB 3.85Å; E36-P59 HydrophobicContact CG-CG 3.98Å; E36-P59 VanDerWaalsContact OE2-CB 3.32Å; E36-P59 WeakPolarHBondContact OE2-CB 3.31Å
37I97.7Very high92.2Very high2 Ų220.6 Ų20.61%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-158.6141175.4-170.5-170.3000108.9E7 I9 G39 R40 F42 T80 V87 L121E7-I37 HydrophobicContact CG-CD1 4.33Å; E7-I37 HydrophobicContact CG-CG1 3.65Å; I9-I37 HydrophobicContact CD1-CB 4Å; I9-I37 HydrophobicContact CD1-CD1 3.37Å; I9-I37 HydrophobicContact CD1-CG1 3.63Å; I37-G39 PolarHBondContact O-N 3.03Å; I37-G39 VanDerWaalsContact O-N 3.15Å; I37-R40 PolarHBondContact N-O 3.01Å; I37-R40 PolarHBondContact O-N 2.93Å; I37-R40 VanDerWaalsContact O-O 3.07Å; I37-F42 HydrophobicContact CG2-CD2 4.19Å; I37-F42 HydrophobicContact CG2-CE2 3.94Å; I37-T80 HydrophobicContact CD1-CG2 3.54Å; I37-V87 HydrophobicContact CD1-CG2 3.59Å; I37-V87 HydrophobicContact CG2-CG1 3.94Å; I37-L121 HydrophobicContact CD1-CD1 4.45Å
38Y96.3Very high93.1Very high54 Ų5419.9 Ų19.921%0.21213%0.128CC..THydrogen-bonded Turntrans55.132.3179.9-64.6-61.8000114.2A5 E7 R40 F82 E84 V87A5-Y38 WeakPolarHBondContact CB-OH 3Å; E7-Y38 HydrophobicContact CB-CE1 3.78Å; E7-Y38 HydrophobicContact CB-CE2 4.29Å; E7-Y38 HydrophobicContact CG-CD1 3.7Å; E7-Y38 HydrophobicContact CG-CD2 4.25Å; E7-Y38 HydrophobicContact CG-CE1 3.46Å; E7-Y38 VanDerWaalsContact CG-CE1 3.46Å; E7-Y38 HydrophobicContact CG-CE2 4.04Å; E7-Y38 HydrophobicContact CG-CG 4.08Å; E7-Y38 PolarHBondContact OE1-N 3.3Å; Y38-R40 PolarHBondContact O-N 2.84Å; Y38-F82 PolarHBondContact OH-O 3.3Å; Y38-E84 HydrophobicContact CD2-CB 3.85Å; Y38-E84 HydrophobicContact CD2-CG 4.13Å; Y38-E84 HydrophobicContact CE2-CB 4.13Å; Y38-E84 HydrophobicContact CG-CB 4.09Å; Y38-E84 HydrophobicContact CG-CG 4.19Å; Y38-V87 HydrophobicContact CD2-CG2 4.39Å; Y38-V87 HydrophobicContact CE2-CG2 4.17Å
39G94.9Very high93.9Very high54 Ų5426.1 Ų26.156%0.55715%0.152SC*.THydrogen-bonded Turntrans73.113.3179.500000114.9I37 P59I37-G39 PolarHBondContact O-N 3.03Å; I37-G39 VanDerWaalsContact O-N 3.15Å; G39-P59 WeakPolarHBondContact O-CD 3.37Å; G39-P59 VanDerWaalsContact O-CG 3.29Å; G39-P59 WeakPolarHBondContact O-CG 3.27Å
40R96.3Very high94.4Very high49 Ų4929.2 Ų29.219%0.18517%0.169CC..EExtended strand (participates in β ladder)trans-122.8141.8179.2-58.2170.565.1-172.2-0.4108.9E36 I37 Y38 F42 E56 E84 E88E36-R40 VanDerWaalsContact CA-O 3.26Å; E36-R40 WeakPolarHBondContact CA-O 3.42Å; I37-R40 PolarHBondContact N-O 3.01Å; I37-R40 PolarHBondContact O-N 2.93Å; I37-R40 VanDerWaalsContact O-O 3.07Å; Y38-R40 PolarHBondContact O-N 2.84Å; R40-F42 HydrophobicContact CB-CE2 4.14Å; R40-F42 HydrophobicContact CB-CZ 4.25Å; R40-E56 HydrophobicContact CB-CG 4.26Å; R40-E56 WeakPolarHBondContact CB-OE1 3.28Å; R40-E56 WeakPolarHBondContact CD-OE1 3.18Å; R40-E56 WeakPolarHBondContact CG-OE1 3.3Å; R40-E56 IonicContact CZ-OE1 3.86Å; R40-E56 IonicContact CZ-OE2 2.66Å; R40-E56 VanDerWaalsContact CZ-OE2 3.26Å; R40-E56 IonicContact NE-OE1 2.59Å; R40-E56 PolarHBondContact NE-OE1 2.87Å; R40-E56 IonicContact NE-OE2 3.44Å; R40-E56 PolarHBondContact NE-OE2 3.02Å; R40-E56 VanDerWaalsContact NE-OE2 3.08Å; R40-E56 IonicContact NH2-OE1 3.74Å; R40-E56 IonicContact NH2-OE2 3.71Å; R40-E56 PolarHBondContact NH2-OE2 2.61Å; R40-E84 IonicContact NH1-OE1 3.26Å; R40-E88 IonicContact CZ-OE1 3.88Å; R40-E88 IonicContact NH1-OE1 3.13Å; R40-E88 PolarHBondContact NH1-OE1 3.5Å; R40-E88 IonicContact NH2-OE1 2.75Å
41E98.4Very high94.9Very high0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-113.4119175.8-179.2179156.500111N12 Y14 G34 I35 E36 E56 I57 P59 S60N12-E41 WeakPolarHBondContact CB-OE2 3.09Å; N12-E41 PolarHBondContact ND2-OE2 3.31Å; Y14-E41 WeakPolarHBondContact CE2-OE1 3.49Å; Y14-E41 VanDerWaalsContact OH-CD 3.25Å; Y14-E41 PolarHBondContact OH-OE1 3.11Å; Y14-E41 PolarHBondContact OH-OE2 3.45Å; G34-E41 WeakPolarHBondContact CA-OE1 3.42Å; I35-E41 CarbonylContact O-C 3.18Å; I35-E41 WeakPolarHBondContact O-CA 3.34Å; E36-E41 HydrophobicContact CB-CB 4.43Å; E41-E56 CarbonylContact O-C 3.59Å; E41-E56 VanDerWaalsContact O-CA 3.25Å; E41-E56 WeakPolarHBondContact O-CA 3.38Å; E41-I57 HydrophobicContact CB-CG1 3.88Å; E41-I57 HydrophobicContact CG-CD1 4.41Å; E41-I57 HydrophobicContact CG-CG1 4.04Å; E41-I57 PolarHBondContact N-O 3.22Å; E41-I57 PolarHBondContact O-N 2.88Å; E41-P59 HydrophobicContact CB-CB 4.27Å; E41-P59 HydrophobicContact CB-CG 4.24Å; E41-P59 WeakPolarHBondContact OE2-CA 3.29Å; E41-S60 PolarHBondContact OE2-N 3.36Å
42F98.3Very high95.1Very high9 Ų935.6 Ų35.64%0.03920%0.201CC..EExtended strand (participates in β ladder)trans-96.7128.6177.5-59.7-81.5000111G34 I35 I37 R40 V87 V91 F113 L117G34-F42 CarbonylContact C-O 3.6Å; G34-F42 VanDerWaalsContact CA-O 3.26Å; G34-F42 WeakPolarHBondContact CA-O 3.27Å; I35-F42 PolarHBondContact N-O 2.78Å; I35-F42 PolarHBondContact O-N 2.82Å; I37-F42 HydrophobicContact CG2-CD2 4.19Å; I37-F42 HydrophobicContact CG2-CE2 3.94Å; R40-F42 HydrophobicContact CB-CE2 4.14Å; R40-F42 HydrophobicContact CB-CZ 4.25Å; F42-V87 HydrophobicContact CE2-CG1 4.01Å; F42-V87 HydrophobicContact CZ-CG1 4.46Å; F42-V91 HydrophobicContact CD1-CG1 3.96Å; F42-V91 HydrophobicContact CD1-CG2 4.03Å; F42-V91 HydrophobicContact CD2-CG2 4.4Å; F42-V91 HydrophobicContact CE1-CG1 4.2Å; F42-V91 HydrophobicContact CE1-CG2 4.2Å; F42-V91 HydrophobicContact CG-CG2 4.12Å; F42-V91 HydrophobicContact CZ-CG2 4.47Å; F42-F113 HydrophobicContact CB-CE1 4.18Å; F42-F113 HydrophobicContact CB-CZ 4.24Å; F42-L117 HydrophobicContact CB-CD2 4.16Å
43A97.4Very high95.2Very high0 Ų035.4 Ų35.40%020%0.201CC..EExtended strand (participates in β ladder)trans-138166.3178.300000111I54 F55A43-I54 CarbonylContact O-C 3.54Å; A43-I54 VanDerWaalsContact O-CA 3.31Å; A43-I54 WeakPolarHBondContact O-CA 3.29Å; A43-I54 WeakPolarHBondContact O-CG2 3.29Å; A43-F55 HydrophobicContact CB-CD2 4.43Å; A43-F55 HydrophobicContact CB-CE1 3.99Å; A43-F55 HydrophobicContact CB-CE2 3.74Å; A43-F55 HydrophobicContact CB-CZ 3.49Å; A43-F55 VanDerWaalsContact CB-CZ 3.49Å; A43-F55 PolarHBondContact N-O 3.26Å; A43-F55 PolarHBondContact O-N 3.34Å
44Y97.4Very high95.2Very high0 Ų036.5 Ų36.50%021%0.207CC..EExtended strand (participates in β ladder)trans-121.6129.5-179.4171.9-122.3000111.7G53 I54 Y98 K99 Y103 K108 C110 F113Y44-G53 VanDerWaalsContact CD2-C 3.48Å; Y44-G53 WeakPolarHBondContact CD2-O 3.26Å; Y44-I54 HydrophobicContact CD2-CG1 4.42Å; Y44-Y98 AromaticContact CD1-CD1 3.7Å; Y44-Y98 HydrophobicContact CD1-CD1 3.7Å; Y44-Y98 HydrophobicContact CD1-CE1 4.29Å; Y44-Y98 HydrophobicContact CD2-CD1 4.21Å; Y44-Y98 AromaticContact CE1-CD1 3.72Å; Y44-Y98 HydrophobicContact CE1-CD1 3.72Å; Y44-Y98 HydrophobicContact CE1-CE1 4.4Å; Y44-Y98 HydrophobicContact CE2-CD1 4.26Å; Y44-Y98 VanDerWaalsContact CE2-O 3.26Å; Y44-Y98 WeakPolarHBondContact CE2-O 3.5Å; Y44-Y98 AromaticContact CG-CD1 3.95Å; Y44-Y98 HydrophobicContact CG-CD1 3.95Å; Y44-K99 PolarHBondContact OH-O 2.59Å; Y44-Y103 AromaticContact CD1-CD2 3.7Å; Y44-Y103 HydrophobicContact CD1-CD2 3.7Å; Y44-Y103 HydrophobicContact CD1-CE2 4.02Å; Y44-Y103 AromaticContact CE1-CD2 3.38Å; Y44-Y103 HydrophobicContact CE1-CD2 3.38Å; Y44-Y103 HydrophobicContact CE1-CE2 4.11Å; Y44-Y103 HydrophobicContact CE1-CG 4.19Å; Y44-Y103 HydrophobicContact CE2-CD2 4.35Å; Y44-Y103 HydrophobicContact CG-CD2 4.33Å; Y44-Y103 AromaticContact CZ-CD2 3.74Å; Y44-Y103 WeakPolarHBondContact OH-CA 3.31Å; Y44-Y103 PolarHBondContact OH-N 3.25Å; Y44-Y103 VanDerWaalsContact OH-N 3.11Å; Y44-K108 HydrophobicContact CE1-CG 4.16Å; Y44-K108 WeakPolarHBondContact CE1-O 3.48Å; Y44-C110 WeakPolarHBondContact O-CB 3.22Å; Y44-F113 HydrophobicContact CD1-CB 4.16Å; Y44-F113 HydrophobicContact CG-CB 4.13Å; Y44-F113 HydrophobicContact CG-CG 4.46Å
45G93.7Very high95.1Very high17 Ų1739.7 Ų39.718%0.17522%0.221CC..  trans-130.7160.9-175.600000112.6G53 Y103G45-G53 PolarHBondContact N-O 3.39Å; G45-G53 WeakPolarHBondContact O-CA 3.26Å; G45-Y103 VanDerWaalsContact C-CD2 3.41Å
46G90.9Very high95Very high40 Ų4043.9 Ų43.941%0.41224%0.241SC..  trans-96.8136-179.800000112.6Y103G46-Y103 VanDerWaalsContact CA-CG 3.47Å
47H90.5Very high94.9Very high38 Ų3842.3 Ų42.318%0.17623%0.233CC..  trans-153.9161.817465.658.1000109.9Y49 F51 S52 G100 N101H47-Y49 VanDerWaalsContact C-N 3.26Å; H47-Y49 PolarHBondContact CE1-O 2.77Å; H47-Y49 AromaticContact ND1-CD2 3.93Å; H47-Y49 PolarHBondContact ND1-N 3.21Å; H47-Y49 PolarHBondContact ND1-O 3.38Å; H47-Y49 PolarHBondContact O-N 3.18Å; H47-F51 AromaticContact CD2-CE2 3.9Å; H47-F51 AromaticContact CE1-CD2 3.5Å; H47-F51 VanDerWaalsContact CE1-CD2 3.5Å; H47-F51 WeakPolarHBondContact CE1-CD2 3.14Å; H47-F51 AromaticContact CE1-CE2 3.33Å; H47-F51 WeakPolarHBondContact CE1-CE2 3.26Å; H47-F51 AromaticContact CE1-CG 3.87Å; H47-F51 AromaticContact CE1-CZ 3.59Å; H47-F51 PolarHBondContact CE1-O 3.07Å; H47-F51 AromaticContact NE2-CD2 3.46Å; H47-F51 WeakPolarHBondContact NE2-CD2 3.45Å; H47-F51 AromaticContact NE2-CE2 3.11Å; H47-F51 WeakPolarHBondContact NE2-CE2 3.45Å; H47-F51 AromaticContact NE2-CZ 3.72Å; H47-S52 PolarHBondContact NE2-O 2.98Å; H47-G100 PolarHBondContact N-O 3.04Å; H47-G100 CarbonylContact O-C 2.93Å; H47-G100 VanDerWaalsContact O-O 3.09Å; H47-N101 WeakPolarHBondContact O-CA 3.44Å; H47-N101 PolarHBondContact O-N 3.44Å
48P86.3Confident94.8Very high48 Ų4845.9 Ų45.931%0.31226%0.255SS..SBendtrans-72.7-16.5-170.334.2-43.8000114.4Q158P48-Q158 VanDerWaalsContact CB-CD 3.5Å; P48-Q158 HydrophobicContact CB-CG 4.45Å
49Y89.8Confident94.8Very high137 Ų13744.8 Ų44.854%0.53726%0.255SS..SBendtrans-85.3152.7-170.4-51.2-70.7000113.2H47 F51 N101H47-Y49 VanDerWaalsContact C-N 3.26Å; H47-Y49 PolarHBondContact CE1-O 2.77Å; H47-Y49 AromaticContact ND1-CD2 3.93Å; H47-Y49 PolarHBondContact ND1-N 3.21Å; H47-Y49 PolarHBondContact ND1-O 3.38Å; H47-Y49 PolarHBondContact O-N 3.18Å; Y49-F51 HydrophobicContact CD1-CE1 4.49Å; Y49-F51 AromaticContact CD2-CE1 3.51Å; Y49-F51 HydrophobicContact CD2-CE1 3.51Å; Y49-F51 AromaticContact CD2-CZ 3.82Å; Y49-F51 HydrophobicContact CD2-CZ 3.82Å; Y49-F51 HydrophobicContact CG-CD1 4.11Å; Y49-F51 AromaticContact CG-CE1 3.48Å; Y49-F51 HydrophobicContact CG-CE1 3.48Å; Y49-F51 VanDerWaalsContact CG-CE1 3.48Å; Y49-F51 HydrophobicContact CG-CZ 4.23Å; Y49-F51 PolarHBondContact O-N 3.2Å; Y49-N101 WeakPolarHBondContact O-CB 3.42Å; Y49-N101 PolarHBondContact O-N 2.66Å
50P90.8Very high94.7Very high86 Ų8644.4 Ų44.456%0.55824%0.244SC*.SBendtrans-80.47-177.234.2-37.7000114.6K99P50-K99 VanDerWaalsContact O-CD 3.23Å; P50-K99 WeakPolarHBondContact O-CD 3.2Å; P50-K99 WeakPolarHBondContact O-CE 3.18Å; P50-K99 WeakPolarHBondContact O-CG 3.29Å
51F93.9Very high94.5Very high125 Ų12544.4 Ų44.455%0.54825%0.247SC..SBendtrans-85.3173.4173.966.2-102.9000111.6H47 Y49 G53 K99 G100H47-F51 AromaticContact CD2-CE2 3.9Å; H47-F51 AromaticContact CE1-CD2 3.5Å; H47-F51 VanDerWaalsContact CE1-CD2 3.5Å; H47-F51 WeakPolarHBondContact CE1-CD2 3.14Å; H47-F51 AromaticContact CE1-CE2 3.33Å; H47-F51 WeakPolarHBondContact CE1-CE2 3.26Å; H47-F51 AromaticContact CE1-CG 3.87Å; H47-F51 AromaticContact CE1-CZ 3.59Å; H47-F51 PolarHBondContact CE1-O 3.07Å; H47-F51 AromaticContact NE2-CD2 3.46Å; H47-F51 WeakPolarHBondContact NE2-CD2 3.45Å; H47-F51 AromaticContact NE2-CE2 3.11Å; H47-F51 WeakPolarHBondContact NE2-CE2 3.45Å; H47-F51 AromaticContact NE2-CZ 3.72Å; Y49-F51 HydrophobicContact CD1-CE1 4.49Å; Y49-F51 AromaticContact CD2-CE1 3.51Å; Y49-F51 HydrophobicContact CD2-CE1 3.51Å; Y49-F51 AromaticContact CD2-CZ 3.82Å; Y49-F51 HydrophobicContact CD2-CZ 3.82Å; Y49-F51 HydrophobicContact CG-CD1 4.11Å; Y49-F51 AromaticContact CG-CE1 3.48Å; Y49-F51 HydrophobicContact CG-CE1 3.48Å; Y49-F51 VanDerWaalsContact CG-CE1 3.48Å; Y49-F51 HydrophobicContact CG-CZ 4.23Å; Y49-F51 PolarHBondContact O-N 3.2Å; F51-G53 PolarHBondContact O-N 3.37Å; F51-K99 CarbonylContact O-C 3.57Å; F51-K99 WeakPolarHBondContact O-CA 3.39Å; F51-G100 PolarHBondContact O-N 3.24Å
52S96.9Very high94.1Very high40 Ų4045.2 Ų45.228%0.2825%0.254SS..BIsolated β-bridgetrans-54.5129.9-178.7-176.80000111.6H47 I54 G95H47-S52 PolarHBondContact NE2-O 2.98Å; S52-I54 VanDerWaalsContact C-N 3.26Å; S52-I54 WeakPolarHBondContact OG-CB 3.47Å; S52-I54 PolarHBondContact OG-N 2.99Å; S52-I54 VanDerWaalsContact OG-N 3.08Å; S52-G95 WeakPolarHBondContact OG-CA 3.39Å
53G97.1Very high93.7Very high3 Ų350.1 Ų50.13%0.03129%0.285CS..  trans-87.72.7169.100000112.7Y44 G45 F51 Y98 G100Y44-G53 VanDerWaalsContact CD2-C 3.48Å; Y44-G53 WeakPolarHBondContact CD2-O 3.26Å; G45-G53 PolarHBondContact N-O 3.39Å; G45-G53 WeakPolarHBondContact O-CA 3.26Å; F51-G53 PolarHBondContact O-N 3.37Å; G53-Y98 PolarHBondContact N-O 2.71Å; G53-G100 VanDerWaalsContact N-N 3.2Å
54I97.9Very high93.3Very high23 Ų2354.7 Ų54.712%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-73.9130.6173.9-54.2169000107.9A43 Y44 S52 V91 M94 F113A43-I54 CarbonylContact O-C 3.54Å; A43-I54 VanDerWaalsContact O-CA 3.31Å; A43-I54 WeakPolarHBondContact O-CA 3.29Å; A43-I54 WeakPolarHBondContact O-CG2 3.29Å; Y44-I54 HydrophobicContact CD2-CG1 4.42Å; S52-I54 VanDerWaalsContact C-N 3.26Å; S52-I54 WeakPolarHBondContact OG-CB 3.47Å; S52-I54 PolarHBondContact OG-N 2.99Å; S52-I54 VanDerWaalsContact OG-N 3.08Å; I54-V91 HydrophobicContact CD1-CG1 4.26Å; I54-V91 WeakPolarHBondContact CD1-O 3.42Å; I54-V91 HydrophobicContact CG2-CG1 3.79Å; I54-M94 HydrophobicContact CD1-CB 3.92Å; I54-F113 HydrophobicContact CD1-CD2 4.15Å; I54-F113 HydrophobicContact CD1-CE2 3.45Å; I54-F113 VanDerWaalsContact CD1-CE2 3.45Å; I54-F113 HydrophobicContact CD1-CZ 4.06Å; I54-F113 HydrophobicContact CG1-CD2 4.17Å; I54-F113 HydrophobicContact CG1-CE2 3.73Å; I54-F113 HydrophobicContact CG1-CZ 4.1Å; I54-F113 HydrophobicContact CG2-CE1 4.31Å; I54-F113 HydrophobicContact CG2-CE2 4.23Å; I54-F113 HydrophobicContact CG2-CZ 3.73Å
55F96.4Very high92.9Very high68 Ų6856.1 Ų56.130%0.29831%0.313SS..EExtended strand (participates in β ladder)trans-133.2166.8177.464.7-90.4000109.8A43 I57 L65A43-F55 HydrophobicContact CB-CD2 4.43Å; A43-F55 HydrophobicContact CB-CE1 3.99Å; A43-F55 HydrophobicContact CB-CE2 3.74Å; A43-F55 HydrophobicContact CB-CZ 3.49Å; A43-F55 VanDerWaalsContact CB-CZ 3.49Å; A43-F55 PolarHBondContact N-O 3.26Å; A43-F55 PolarHBondContact O-N 3.34Å; F55-I57 HydrophobicContact CD2-CG2 3.74Å; F55-I57 HydrophobicContact CE2-CG2 3.62Å; F55-L65 HydrophobicContact CE2-CD2 3.6Å; F55-L65 HydrophobicContact CZ-CD2 3.6Å
56E96.6Very high92.5Very high88 Ų8856.5 Ų56.541%0.41132%0.318SS..EExtended strand (participates in β ladder)trans-118.1142.6178.4-178.8-17616500109.4R40 E41R40-E56 HydrophobicContact CB-CG 4.26Å; R40-E56 WeakPolarHBondContact CB-OE1 3.28Å; R40-E56 WeakPolarHBondContact CD-OE1 3.18Å; R40-E56 WeakPolarHBondContact CG-OE1 3.3Å; R40-E56 IonicContact CZ-OE1 3.86Å; R40-E56 IonicContact CZ-OE2 2.66Å; R40-E56 VanDerWaalsContact CZ-OE2 3.26Å; R40-E56 IonicContact NE-OE1 2.59Å; R40-E56 PolarHBondContact NE-OE1 2.87Å; R40-E56 IonicContact NE-OE2 3.44Å; R40-E56 PolarHBondContact NE-OE2 3.02Å; R40-E56 VanDerWaalsContact NE-OE2 3.08Å; R40-E56 IonicContact NH2-OE1 3.74Å; R40-E56 IonicContact NH2-OE2 3.71Å; R40-E56 PolarHBondContact NH2-OE2 2.61Å; E41-E56 CarbonylContact O-C 3.59Å; E41-E56 VanDerWaalsContact O-CA 3.25Å; E41-E56 WeakPolarHBondContact O-CA 3.38Å
57I94.7Very high92.2Very high8 Ų863.2 Ų63.24%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-132.2164.5171.262.1175.9000110.7E41 F55 E64 L65E41-I57 HydrophobicContact CB-CG1 3.88Å; E41-I57 HydrophobicContact CG-CD1 4.41Å; E41-I57 HydrophobicContact CG-CG1 4.04Å; E41-I57 PolarHBondContact N-O 3.22Å; E41-I57 PolarHBondContact O-N 2.88Å; F55-I57 HydrophobicContact CD2-CG2 3.74Å; F55-I57 HydrophobicContact CE2-CG2 3.62Å; I57-E64 WeakPolarHBondContact CA-OE2 3.39Å; I57-E64 HydrophobicContact CB-CB 4.16Å; I57-E64 WeakPolarHBondContact CB-OE2 3.42Å; I57-E64 HydrophobicContact CG2-CB 3.81Å; I57-E64 WeakPolarHBondContact CG2-OE2 3.47Å; I57-L65 HydrophobicContact CD1-CD1 4.16Å; I57-L65 HydrophobicContact CD1-CD2 4.02Å; I57-L65 HydrophobicContact CD1-CG 3.92Å
58T96.2Very high91.9Very high77 Ų7764 Ų6447%0.47235%0.346SS..  trans-59.7129164.1-54.30000109.4S60 D61 E64T58-S60 PolarHBondContact O-N 3.08Å; T58-D61 HydrophobicContact CG2-CB 4.34Å; T58-D61 VanDerWaalsContact O-CB 3.31Å; T58-D61 WeakPolarHBondContact O-CB 3.16Å; T58-D61 PolarHBondContact O-N 2.76Å; T58-E64 VanDerWaalsContact CB-OE1 3.27Å; T58-E64 WeakPolarHBondContact CB-OE1 3.29Å; T58-E64 PolarHBondContact N-OE1 3.43Å; T58-E64 PolarHBondContact N-OE2 3.2Å; T58-E64 PolarHBondContact OG1-OE1 2.7Å
59P96.3Very high92.1Very high31 Ų3163.5 Ų63.520%0.20134%0.339CS..THydrogen-bonded Turntrans-57.2136.1-175.9-24.731.5000113.6E36 G39 E41 D61E36-P59 HydrophobicContact CB-CB 4.41Å; E36-P59 VanDerWaalsContact CD-CB 3.45Å; E36-P59 HydrophobicContact CG-CB 3.85Å; E36-P59 HydrophobicContact CG-CG 3.98Å; E36-P59 VanDerWaalsContact OE2-CB 3.32Å; E36-P59 WeakPolarHBondContact OE2-CB 3.31Å; G39-P59 WeakPolarHBondContact O-CD 3.37Å; G39-P59 VanDerWaalsContact O-CG 3.29Å; G39-P59 WeakPolarHBondContact O-CG 3.27Å; E41-P59 HydrophobicContact CB-CB 4.27Å; E41-P59 HydrophobicContact CB-CG 4.24Å; E41-P59 WeakPolarHBondContact OE2-CA 3.29Å; P59-D61 PolarHBondContact O-N 3.23Å
60S92.3Very high92.2Very high46 Ų4663.7 Ų63.732%0.32234%0.343SS..THydrogen-bonded Turntrans63.87.9-177.2-54.20000115.3Y14 E41 T58 A62 F71Y14-S60 WeakPolarHBondContact OH-CA 3.46Å; Y14-S60 PolarHBondContact OH-N 3.48Å; E41-S60 PolarHBondContact OE2-N 3.36Å; T58-S60 PolarHBondContact O-N 3.08Å; S60-A62 PolarHBondContact O-N 3.39Å; S60-F71 WeakPolarHBondContact OG-CE2 3.49Å
61D92Very high92.3Very high49 Ų4963.2 Ų63.226%0.26233%0.332SS..  trans-87.791.5178.8-162.8-20.7000111.7T58 P59 T63 E64T58-D61 HydrophobicContact CG2-CB 4.34Å; T58-D61 VanDerWaalsContact O-CB 3.31Å; T58-D61 WeakPolarHBondContact O-CB 3.16Å; T58-D61 PolarHBondContact O-N 2.76Å; P59-D61 PolarHBondContact O-N 3.23Å; D61-T63 PolarHBondContact O-N 2.94Å; D61-T63 VanDerWaalsContact OD1-CB 3.29Å; D61-T63 WeakPolarHBondContact OD1-CB 3.32Å; D61-T63 PolarHBondContact OD1-N 2.84Å; D61-T63 PolarHBondContact OD1-OG1 3.27Å; D61-E64 HydrophobicContact CB-CG 4.48Å; D61-E64 PolarHBondContact O-N 3.49Å
62A90.1Very high92.4Very high16 Ų1661.7 Ų61.713%0.13233%0.325CS..Hα-helixtrans-63.9-19.6176.500000113.4Y14 S60 E64 L65 G66 F69Y14-A62 HydrophobicContact CD1-CB 3.87Å; Y14-A62 HydrophobicContact CE1-CB 3.98Å; S60-A62 PolarHBondContact O-N 3.39Å; A62-E64 VanDerWaalsContact C-N 3.3Å; A62-E64 PolarHBondContact O-N 3.36Å; A62-L65 PolarHBondContact O-N 3.35Å; A62-G66 PolarHBondContact O-N 3.36Å; A62-F69 HydrophobicContact CB-CB 4.47Å
63T89.8Confident92.4Very high112 Ų11263.1 Ų63.169%0.68733%0.327SS*.Hα-helixtrans-70.4-29.2-176.871.70000112.3D61 L65 G66D61-T63 PolarHBondContact O-N 2.94Å; D61-T63 VanDerWaalsContact OD1-CB 3.29Å; D61-T63 WeakPolarHBondContact OD1-CB 3.32Å; D61-T63 PolarHBondContact OD1-N 2.84Å; D61-T63 PolarHBondContact OD1-OG1 3.27Å; T63-L65 VanDerWaalsContact C-N 3.31Å; T63-G66 PolarHBondContact O-N 3.21Å
64E90.8Very high92.4Very high97 Ų9765.6 Ų65.645%0.45335%0.348SS..Hα-helixtrans-71.8-25.3175.2-65.3-168.9-152.100112.7I57 T58 D61 A62I57-E64 WeakPolarHBondContact CA-OE2 3.39Å; I57-E64 HydrophobicContact CB-CB 4.16Å; I57-E64 WeakPolarHBondContact CB-OE2 3.42Å; I57-E64 HydrophobicContact CG2-CB 3.81Å; I57-E64 WeakPolarHBondContact CG2-OE2 3.47Å; T58-E64 VanDerWaalsContact CB-OE1 3.27Å; T58-E64 WeakPolarHBondContact CB-OE1 3.29Å; T58-E64 PolarHBondContact N-OE1 3.43Å; T58-E64 PolarHBondContact N-OE2 3.2Å; T58-E64 PolarHBondContact OG1-OE1 2.7Å; D61-E64 HydrophobicContact CB-CG 4.48Å; D61-E64 PolarHBondContact O-N 3.49Å; A62-E64 VanDerWaalsContact C-N 3.3Å; A62-E64 PolarHBondContact O-N 3.36Å
65L87.7Confident92.4Very high29 Ų2966.2 Ų66.215%0.15235%0.351CS..Hα-helixtrans-79.8-23.7174.1-63.4175.3000112.6Y14 H32 F55 I57 A62 T63 F69Y14-L65 HydrophobicContact CD1-CD1 3.84Å; Y14-L65 HydrophobicContact CD2-CD1 3.94Å; Y14-L65 HydrophobicContact CE1-CD1 3.96Å; Y14-L65 HydrophobicContact CE2-CD1 4.07Å; Y14-L65 HydrophobicContact CG-CD1 3.83Å; H32-L65 VanDerWaalsContact CD2-CD1 3.44Å; H32-L65 WeakPolarHBondContact CD2-CD1 3.48Å; F55-L65 HydrophobicContact CE2-CD2 3.6Å; F55-L65 HydrophobicContact CZ-CD2 3.6Å; I57-L65 HydrophobicContact CD1-CD1 4.16Å; I57-L65 HydrophobicContact CD1-CD2 4.02Å; I57-L65 HydrophobicContact CD1-CG 3.92Å; A62-L65 PolarHBondContact O-N 3.35Å; T63-L65 VanDerWaalsContact C-N 3.31Å; L65-F69 HydrophobicContact CB-CB 3.97Å; L65-F69 HydrophobicContact CB-CD1 4.22Å; L65-F69 HydrophobicContact CB-CD2 3.63Å; L65-F69 HydrophobicContact CB-CE2 4.12Å; L65-F69 HydrophobicContact CB-CG 3.68Å; L65-F69 HydrophobicContact CD1-CB 4.35Å; L65-F69 HydrophobicContact CD1-CD1 4.13Å; L65-F69 HydrophobicContact CD1-CG 4.24Å; L65-F69 VanDerWaalsContact O-CD2 3.32Å; L65-F69 WeakPolarHBondContact O-CD2 2.96Å; L65-F69 WeakPolarHBondContact O-CE2 3.28Å
66G86.4Confident92.5Very high26 Ų2668 Ų6827%0.26837%0.367SS..  trans114.9167.4179.200000113.4A62 T63 T68 F69A62-G66 PolarHBondContact O-N 3.36Å; T63-G66 PolarHBondContact O-N 3.21Å; G66-T68 PolarHBondContact O-N 2.73Å; G66-F69 PolarHBondContact O-N 3.18Å; G66-F69 VanDerWaalsContact O-N 3.15Å
67E84.1Confident92.5Very high180 Ų18064.3 Ų64.384%0.84135%0.35SS*.THydrogen-bonded Turntrans-61.3-21.4-171.4-62.1-177.2171.600113.9Y17 F69Y17-E67 WeakPolarHBondContact CE1-O 3.35Å; Y17-E67 PolarHBondContact OH-O 2.93Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 2.78Å
68T84.6Confident92.6Very high56 Ų5664.8 Ų64.834%0.34436%0.357SS..THydrogen-bonded Turntrans-82.4-0.3-177.756.60000114.4Y17 W18 G66Y17-T68 WeakPolarHBondContact CD1-O 3.34Å; Y17-T68 VanDerWaalsContact CE1-CA 3.42Å; Y17-T68 WeakPolarHBondContact CE1-O 3.39Å; Y17-T68 PolarHBondContact N-O 3.07Å; W18-T68 HydrophobicContact CB-CG2 4.12Å; G66-T68 PolarHBondContact O-N 2.73Å
69F89.5Confident92.6Very high36 Ų3663.7 Ų63.716%0.15835%0.353CS..EExtended strand (participates in β ladder)trans-108.9141.9179-64.6-95.9000110.8M16 H32 A62 L65 G66 E67M16-F69 HydrophobicContact CE-CE1 3.73Å; M16-F69 HydrophobicContact CE-CZ 3.69Å; M16-F69 HydrophobicContact CG-CD1 3.82Å; M16-F69 HydrophobicContact CG-CE1 3.52Å; M16-F69 HydrophobicContact CG-CZ 4.37Å; M16-F69 HydrophobicContact SD-CE1 3.9Å; M16-F69 HydrophobicContact SD-CZ 4.46Å; H32-F69 HydrophobicContact CB-CD1 3.98Å; H32-F69 HydrophobicContact CB-CE1 3.67Å; H32-F69 AromaticContact CG-CE1 3.94Å; A62-F69 HydrophobicContact CB-CB 4.47Å; L65-F69 HydrophobicContact CB-CB 3.97Å; L65-F69 HydrophobicContact CB-CD1 4.22Å; L65-F69 HydrophobicContact CB-CD2 3.63Å; L65-F69 HydrophobicContact CB-CE2 4.12Å; L65-F69 HydrophobicContact CB-CG 3.68Å; L65-F69 HydrophobicContact CD1-CB 4.35Å; L65-F69 HydrophobicContact CD1-CD1 4.13Å; L65-F69 HydrophobicContact CD1-CG 4.24Å; L65-F69 VanDerWaalsContact O-CD2 3.32Å; L65-F69 WeakPolarHBondContact O-CD2 2.96Å; L65-F69 WeakPolarHBondContact O-CE2 3.28Å; G66-F69 PolarHBondContact O-N 3.18Å; G66-F69 VanDerWaalsContact O-N 3.15Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 2.78Å
70K91.6Very high92.6Very high142 Ų14262.5 Ų62.562%0.61735%0.345SS*.EExtended strand (participates in β ladder)trans-132.4125.1173-175176.6179.5178.60110.1Y14 D15 Y17 K72Y14-K70 CarbonylContact C-O 3.59Å; Y14-K70 VanDerWaalsContact CA-O 3.29Å; Y14-K70 WeakPolarHBondContact CA-O 3.4Å; D15-K70 PolarHBondContact N-O 3.48Å; D15-K70 PolarHBondContact O-N 3.19Å; Y17-K70 HydrophobicContact CD1-CB 4.48Å; K70-K72 PolarHBondContact O-N 3Å
71F94.6Very high92.7Very high75 Ų7564.4 Ų64.433%0.32935%0.351SS..EExtended strand (participates in β ladder)trans-56.9129.8173.8-179.6-100.5000110.5N12 Y14 S60 E73 A74N12-F71 HydrophobicContact CB-CE2 4.21Å; Y14-F71 HydrophobicContact CD1-CB 4.06Å; Y14-F71 HydrophobicContact CD1-CD2 4.2Å; Y14-F71 HydrophobicContact CE1-CB 4.08Å; Y14-F71 AromaticContact CE1-CD2 3.77Å; Y14-F71 HydrophobicContact CE1-CD2 3.77Å; Y14-F71 HydrophobicContact CE1-CG 4.43Å; S60-F71 WeakPolarHBondContact OG-CE2 3.49Å; F71-E73 VanDerWaalsContact CZ-C 3.41Å; F71-A74 HydrophobicContact CZ-CB 4Å
72K94.1Very high92.9Very high94 Ų9465.7 Ų65.741%0.40936%0.355SS..EExtended strand (participates in β ladder)trans-106.1-58.8-176.9176.8178.1164.645.90110.9V13 F31 K70 W129V13-K72 HydrophobicContact CG1-CD 4.27Å; V13-K72 WeakPolarHBondContact O-CA 3.26Å; V13-K72 VanDerWaalsContact O-CB 3.29Å; V13-K72 WeakPolarHBondContact O-CB 3.32Å; V13-K72 PolarHBondContact O-N 3.46Å; F31-K72 HydrophobicContact CD1-CD 4.1Å; F31-K72 HydrophobicContact CE1-CD 3.74Å; K70-K72 PolarHBondContact O-N 3Å; K72-W129 HydrophobicContact CD-CH2 4.31Å; K72-W129 HydrophobicContact CD-CZ3 4.4Å
73E96.9Very high93.2Very high69 Ų6967.5 Ų67.532%0.32236%0.364SS..EExtended strand (participates in β ladder)trans-164.5159.5-177.563.6-169.5111.700111.8V13 F71 I75 W129V13-E73 HydrophobicContact CB-CG 4.3Å; V13-E73 PolarHBondContact N-O 3.41Å; V13-E73 PolarHBondContact O-N 3.3Å; F71-E73 VanDerWaalsContact CZ-C 3.41Å; E73-I75 HydrophobicContact CG-CD1 4.21Å; E73-I75 HydrophobicContact CG-CG1 4.1Å; E73-W129 WeakPolarHBondContact OE1-CH2 3.11Å
74A97.9Very high93.4Very high56 Ų5666 Ų6646%0.46335%0.35SS..EExtended strand (participates in β ladder)trans-112.2132.9170.800000109.3I10 L11 N12 F71I10-A74 HydrophobicContact CG2-CB 3.82Å; L11-A74 CarbonylContact O-C 3.56Å; L11-A74 WeakPolarHBondContact O-CA 3.25Å; N12-A74 VanDerWaalsContact OD1-CB 3.27Å; N12-A74 WeakPolarHBondContact OD1-CB 3.37Å; F71-A74 HydrophobicContact CZ-CB 4Å
75I98Very high93.7Very high35 Ų3567.1 Ų67.118%0.17935%0.354CS..EExtended strand (participates in β ladder)trans-124.5116.1-174.5-53174.5000109L11 V13 E73 L77 P127 W129L11-I75 HydrophobicContact CB-CB 4.32Å; L11-I75 PolarHBondContact N-O 3.14Å; L11-I75 PolarHBondContact O-N 3.01Å; V13-I75 HydrophobicContact CG2-CD1 4.19Å; E73-I75 HydrophobicContact CG-CD1 4.21Å; E73-I75 HydrophobicContact CG-CG1 4.1Å; I75-L77 HydrophobicContact CG2-CD2 4.36Å; I75-L77 PolarHBondContact O-N 2.58Å; I75-P127 HydrophobicContact CD1-CG 4.07Å; I75-W129 HydrophobicContact CD1-CZ2 3.81Å
76V97.9Very high94.1Very high105 Ų10567.6 Ų67.664%0.63636%0.357SS*.EExtended strand (participates in β ladder)trans-68.6115.9173.5-177.70000109.1I10I10-V76 HydrophobicContact CG1-CG2 4.4Å
77L97.6Very high94.7Very high11 Ų1166.4 Ų66.46%0.05835%0.345CS..EExtended strand (participates in β ladder)trans-86.4-41.8178.9-63-175.8000111.5I9 L11 I35 I75 S118 R124 I126I9-L77 HydrophobicContact CG2-CB 4.37Å; I9-L77 HydrophobicContact CG2-CD1 4.32Å; I9-L77 PolarHBondContact O-N 3.38Å; L11-L77 HydrophobicContact CB-CD1 3.94Å; L11-L77 HydrophobicContact CB-CD2 4.08Å; L11-L77 HydrophobicContact CB-CG 3.91Å; L11-L77 HydrophobicContact CD2-CD2 4.41Å; I35-L77 HydrophobicContact CD1-CD1 3.95Å; I75-L77 HydrophobicContact CG2-CD2 4.36Å; I75-L77 PolarHBondContact O-N 2.58Å; L77-S118 VanDerWaalsContact CD1-CB 3.49Å; L77-R124 WeakPolarHBondContact O-CD 3.46Å; L77-R124 PolarHBondContact O-NH1 2.9Å; L77-I126 HydrophobicContact CD1-CG2 4.22Å
78G95.9Very high95.3Very high18 Ų1862.2 Ų62.219%0.18633%0.325CS..EExtended strand (participates in β ladder)trans175.2-153.1-174.800000111.6I9I9-G78 PolarHBondContact N-O 3.36Å
79S96.5Very high95.9Very high55 Ų5567 Ų6739%0.38534%0.337SS..EExtended strand (participates in β ladder)trans-137.1163.2170.157.40000110.7N6 E7 C122N6-S79 WeakPolarHBondContact OD1-CB 3.33Å; N6-S79 PolarHBondContact OD1-OG 2.86Å; E7-S79 CarbonylContact O-C 3.59Å; E7-S79 WeakPolarHBondContact O-CA 3.48Å; E7-S79 VanDerWaalsContact O-CB 3.25Å; E7-S79 WeakPolarHBondContact O-CB 3.49Å; S79-C122 WeakPolarHBondContact O-CB 3.26Å
80T96.1Very high96.3Very high6 Ų666.7 Ų66.74%0.03734%0.337CS..EExtended strand (participates in β ladder)trans-130151.1178.6-174.80000111.6A5 E7 I9 I37 F82 L121A5-T80 CarbonylContact C-O 3.5Å; A5-T80 CarbonylContact O-C 3.5Å; E7-T80 HydrophobicContact CB-CG2 4.26Å; E7-T80 PolarHBondContact N-O 3.36Å; E7-T80 PolarHBondContact O-N 3.46Å; I9-T80 HydrophobicContact CD1-CG2 3.58Å; I9-T80 HydrophobicContact CG1-CG2 4.32Å; I37-T80 HydrophobicContact CD1-CG2 3.54Å; T80-F82 HydrophobicContact CG2-CB 4.38Å; T80-F82 WeakPolarHBondContact OG1-CB 3.43Å; T80-F82 WeakPolarHBondContact OG1-CD2 3.3Å; T80-F82 PolarHBondContact OG1-N 2.98Å; T80-L121 VanDerWaalsContact CB-O 3.29Å; T80-L121 WeakPolarHBondContact CB-O 3.33Å; T80-L121 PolarHBondContact OG1-O 3.24Å; T80-L121 VanDerWaalsContact OG1-O 3.1Å
81D95.4Very high96.6Very high86 Ų8660.7 Ų60.746%0.4631%0.312SS..  trans-93.9-6.2170.1-59.2-47.2000113.3M4 A5M4-D81 HydrophobicContact CE-CB 4.46Å; M4-D81 WeakPolarHBondContact CE-OD1 3.15Å; M4-D81 WeakPolarHBondContact CE-OD2 3.35Å; M4-D81 HydrophobicContact SD-CB 4.44Å; A5-D81 VanDerWaalsContact O-CA 3.27Å; A5-D81 WeakPolarHBondContact O-CA 3.31Å
82F95.8Very high96.8Very high75 Ų7564.1 Ų64.133%0.32933%0.329SS..  trans-63.4136.5174.3-72.9-59000110.6Y38 T80 D86 V87 I90 I120 L121Y38-F82 PolarHBondContact OH-O 3.3Å; T80-F82 HydrophobicContact CG2-CB 4.38Å; T80-F82 WeakPolarHBondContact OG1-CB 3.43Å; T80-F82 WeakPolarHBondContact OG1-CD2 3.3Å; T80-F82 PolarHBondContact OG1-N 2.98Å; F82-D86 HydrophobicContact CB-CB 3.83Å; F82-D86 HydrophobicContact CD1-CB 3.71Å; F82-D86 HydrophobicContact CG-CB 4.17Å; F82-V87 HydrophobicContact CB-CG2 4.14Å; F82-I90 HydrophobicContact CD1-CD1 4.15Å; F82-I90 HydrophobicContact CD2-CD1 4.06Å; F82-I90 HydrophobicContact CE1-CD1 4.19Å; F82-I90 HydrophobicContact CE2-CD1 4.14Å; F82-I90 HydrophobicContact CG-CD1 4.1Å; F82-I90 HydrophobicContact CZ-CD1 4.2Å; F82-I120 WeakPolarHBondContact CE2-O 3.31Å; F82-L121 HydrophobicContact CD2-CD2 3.77Å; F82-L121 HydrophobicContact CE2-CD2 4.47Å; F82-L121 HydrophobicContact CG-CD2 4.48Å
83T95.7Very high97Very high55 Ų5565 Ų6534%0.33733%0.334SS..  trans-74.3170172.576.20000111.4E85 D86 V87T83-E85 VanDerWaalsContact C-N 3.25Å; T83-E85 VanDerWaalsContact CB-OE2 3.27Å; T83-E85 WeakPolarHBondContact CB-OE2 3.45Å; T83-E85 PolarHBondContact O-N 2.66Å; T83-E85 PolarHBondContact OG1-N 3.27Å; T83-E85 PolarHBondContact OG1-OE2 2.97Å; T83-D86 PolarHBondContact N-OD2 2.68Å; T83-D86 WeakPolarHBondContact O-CB 3.47Å; T83-D86 PolarHBondContact O-N 3.08Å; T83-D86 VanDerWaalsContact O-N 3.11Å; T83-D86 PolarHBondContact OG1-N 3.41Å; T83-V87 VanDerWaalsContact O-CG2 3.26Å; T83-V87 WeakPolarHBondContact O-CG2 3.44Å; T83-V87 PolarHBondContact O-N 3.11Å
84E95.3Very high97Very high81 Ų8162.6 Ų62.638%0.37932%0.323SS..Hα-helixtrans-56.8-41.7174.1-169.4174.7179.800111.3Y38 R40 D86 V87 E88Y38-E84 HydrophobicContact CD2-CB 3.85Å; Y38-E84 HydrophobicContact CD2-CG 4.13Å; Y38-E84 HydrophobicContact CE2-CB 4.13Å; Y38-E84 HydrophobicContact CG-CB 4.09Å; Y38-E84 HydrophobicContact CG-CG 4.19Å; R40-E84 IonicContact NH1-OE1 3.26Å; E84-D86 VanDerWaalsContact C-N 3.35Å; E84-D86 PolarHBondContact O-N 3.27Å; E84-V87 WeakPolarHBondContact O-CB 3.26Å; E84-V87 PolarHBondContact O-N 3.04Å; E84-E88 WeakPolarHBondContact O-CG 3.49Å; E84-E88 PolarHBondContact O-N 2.93Å
85E95.9Very high97Very high119 Ų11960.2 Ų60.256%0.55630%0.304SS*.Hα-helixtrans-67.8-32.9176.8-54.683.6176.800112.9T83 V87 R89T83-E85 VanDerWaalsContact C-N 3.25Å; T83-E85 VanDerWaalsContact CB-OE2 3.27Å; T83-E85 WeakPolarHBondContact CB-OE2 3.45Å; T83-E85 PolarHBondContact O-N 2.66Å; T83-E85 PolarHBondContact OG1-N 3.27Å; T83-E85 PolarHBondContact OG1-OE2 2.97Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-R89 WeakPolarHBondContact O-CG 3.38Å; E85-R89 PolarHBondContact O-N 3.45Å
86D97.1Very high96.9Very high39 Ų3964.5 Ų64.521%0.20932%0.322CS..Hα-helixtrans-63.9-43.8173.4-68.9-33.9000110.6F82 T83 E84 R89 I90F82-D86 HydrophobicContact CB-CB 3.83Å; F82-D86 HydrophobicContact CD1-CB 3.71Å; F82-D86 HydrophobicContact CG-CB 4.17Å; T83-D86 PolarHBondContact N-OD2 2.68Å; T83-D86 WeakPolarHBondContact O-CB 3.47Å; T83-D86 PolarHBondContact O-N 3.08Å; T83-D86 VanDerWaalsContact O-N 3.11Å; T83-D86 PolarHBondContact OG1-N 3.41Å; E84-D86 VanDerWaalsContact C-N 3.35Å; E84-D86 PolarHBondContact O-N 3.27Å; D86-R89 PolarHBondContact O-N 3.14Å; D86-R89 IonicContact OD1-CZ 2.76Å; D86-R89 IonicContact OD1-NH2 3.75Å; D86-R89 PolarHBondContact OD1-NH2 2.87Å; D86-I90 WeakPolarHBondContact O-CD1 3.16Å; D86-I90 VanDerWaalsContact O-CG1 3.26Å; D86-I90 WeakPolarHBondContact O-CG1 3.34Å; D86-I90 PolarHBondContact O-N 3.37Å
87V97.3Very high96.8Very high2 Ų265.3 Ų65.31%0.01232%0.319CS..Hα-helixtrans-63.5-44.2179.4175.30000110.8I37 Y38 F42 F82 T83 E84 E85 R89 I90 V91 L121I37-V87 HydrophobicContact CD1-CG2 3.59Å; I37-V87 HydrophobicContact CG2-CG1 3.94Å; Y38-V87 HydrophobicContact CD2-CG2 4.39Å; Y38-V87 HydrophobicContact CE2-CG2 4.17Å; F42-V87 HydrophobicContact CE2-CG1 4.01Å; F42-V87 HydrophobicContact CZ-CG1 4.46Å; F82-V87 HydrophobicContact CB-CG2 4.14Å; T83-V87 VanDerWaalsContact O-CG2 3.26Å; T83-V87 WeakPolarHBondContact O-CG2 3.44Å; T83-V87 PolarHBondContact O-N 3.11Å; E84-V87 WeakPolarHBondContact O-CB 3.26Å; E84-V87 PolarHBondContact O-N 3.04Å; E85-V87 VanDerWaalsContact C-N 3.34Å; V87-R89 VanDerWaalsContact C-N 3.33Å; V87-R89 PolarHBondContact O-N 2.84Å; V87-I90 WeakPolarHBondContact O-CB 3.38Å; V87-I90 PolarHBondContact O-N 3.16Å; V87-V91 HydrophobicContact CG1-CG2 4.35Å; V87-V91 WeakPolarHBondContact O-CG2 3.17Å; V87-V91 PolarHBondContact O-N 3.06Å; V87-L121 HydrophobicContact CG2-CD2 3.99Å
88E96.9Very high96.7Very high91 Ų9165.8 Ų65.843%0.42532%0.32SS..Hα-helixtrans-57.1-45.7176.2-73.3-174.1158.500112.1R40 E84 I90 V91 E92R40-E88 IonicContact CZ-OE1 3.88Å; R40-E88 IonicContact NH1-OE1 3.13Å; R40-E88 PolarHBondContact NH1-OE1 3.5Å; R40-E88 IonicContact NH2-OE1 2.75Å; E84-E88 WeakPolarHBondContact O-CG 3.49Å; E84-E88 PolarHBondContact O-N 2.93Å; E88-I90 PolarHBondContact O-N 2.87Å; E88-V91 PolarHBondContact O-N 2.98Å; E88-E92 WeakPolarHBondContact O-CB 3.37Å; E88-E92 PolarHBondContact O-N 3.13Å
89R98.1Very high96.8Very high158 Ų15869 Ų6960%0.59633%0.328SS*.Hα-helixtrans-66.2-37.7177.4-66.3178.9-48.2176.213.6112.4E85 D86 V87 E92 E93E85-R89 WeakPolarHBondContact O-CG 3.38Å; E85-R89 PolarHBondContact O-N 3.45Å; D86-R89 PolarHBondContact O-N 3.14Å; D86-R89 IonicContact OD1-CZ 2.76Å; D86-R89 IonicContact OD1-NH2 3.75Å; D86-R89 PolarHBondContact OD1-NH2 2.87Å; V87-R89 VanDerWaalsContact C-N 3.33Å; V87-R89 PolarHBondContact O-N 2.84Å; R89-E92 PolarHBondContact O-N 2.98Å; R89-E93 WeakPolarHBondContact O-CB 3.32Å; R89-E93 PolarHBondContact O-N 2.88Å
90I98.3Very high96.6Very high28 Ų2866.3 Ų66.314%0.14431%0.31CS..Hα-helixtrans-61.6-48.8175.7-71.6162.3000109.6F82 D86 V87 E88 E92 E93 M94 L117 I120 L121F82-I90 HydrophobicContact CD1-CD1 4.15Å; F82-I90 HydrophobicContact CD2-CD1 4.06Å; F82-I90 HydrophobicContact CE1-CD1 4.19Å; F82-I90 HydrophobicContact CE2-CD1 4.14Å; F82-I90 HydrophobicContact CG-CD1 4.1Å; F82-I90 HydrophobicContact CZ-CD1 4.2Å; D86-I90 WeakPolarHBondContact O-CD1 3.16Å; D86-I90 VanDerWaalsContact O-CG1 3.26Å; D86-I90 WeakPolarHBondContact O-CG1 3.34Å; D86-I90 PolarHBondContact O-N 3.37Å; V87-I90 WeakPolarHBondContact O-CB 3.38Å; V87-I90 PolarHBondContact O-N 3.16Å; E88-I90 PolarHBondContact O-N 2.87Å; I90-E92 PolarHBondContact O-N 3.35Å; I90-E93 PolarHBondContact O-N 2.87Å; I90-M94 HydrophobicContact CG2-SD 4.15Å; I90-M94 VanDerWaalsContact O-CG 3.32Å; I90-M94 WeakPolarHBondContact O-CG 3.38Å; I90-M94 PolarHBondContact O-N 3.25Å; I90-L117 HydrophobicContact CG2-CD1 3.91Å; I90-I120 HydrophobicContact CD1-CG2 4.05Å; I90-I120 HydrophobicContact CG1-CG2 4.42Å; I90-I120 HydrophobicContact CG2-CD1 4.35Å; I90-I120 HydrophobicContact CG2-CG2 3.86Å; I90-L121 HydrophobicContact CD1-CD2 4.07Å
91V98Very high96.4Very high16 Ų1669.9 Ų69.910%0.09733%0.329CS..Hα-helixtrans-62.4-42.8178.8169.90000111.2F42 I54 V87 E88 E93 M94 G95 L117F42-V91 HydrophobicContact CD1-CG1 3.96Å; F42-V91 HydrophobicContact CD1-CG2 4.03Å; F42-V91 HydrophobicContact CD2-CG2 4.4Å; F42-V91 HydrophobicContact CE1-CG1 4.2Å; F42-V91 HydrophobicContact CE1-CG2 4.2Å; F42-V91 HydrophobicContact CG-CG2 4.12Å; F42-V91 HydrophobicContact CZ-CG2 4.47Å; I54-V91 HydrophobicContact CD1-CG1 4.26Å; I54-V91 WeakPolarHBondContact CD1-O 3.42Å; I54-V91 HydrophobicContact CG2-CG1 3.79Å; V87-V91 HydrophobicContact CG1-CG2 4.35Å; V87-V91 WeakPolarHBondContact O-CG2 3.17Å; V87-V91 PolarHBondContact O-N 3.06Å; E88-V91 PolarHBondContact O-N 2.98Å; V91-E93 PolarHBondContact O-N 3.49Å; V91-M94 PolarHBondContact O-N 2.87Å; V91-G95 PolarHBondContact O-N 3.02Å; V91-L117 HydrophobicContact CG2-CD1 4.33Å; V91-L117 HydrophobicContact CG2-CD2 4.39Å
92E97.4Very high96.3Very high148 Ų14867.8 Ų67.869%0.69232%0.324SS*.Hα-helixtrans-60.6-44.6175.7-172.9-178.3-174.400111.8E88 R89 I90 G95E88-E92 WeakPolarHBondContact O-CB 3.37Å; E88-E92 PolarHBondContact O-N 3.13Å; R89-E92 PolarHBondContact O-N 2.98Å; I90-E92 PolarHBondContact O-N 3.35Å; E92-G95 PolarHBondContact O-N 2.97Å
93E98.1Very high96.2Very high112 Ų11265.7 Ų65.752%0.52331%0.314SS..Hα-helixtrans-63.5-44.8177.1-168.664.2-142.100111.2R89 I90 V91 G95 K96R89-E93 WeakPolarHBondContact O-CB 3.32Å; R89-E93 PolarHBondContact O-N 2.88Å; I90-E93 PolarHBondContact O-N 2.87Å; V91-E93 PolarHBondContact O-N 3.49Å; E93-G95 PolarHBondContact O-N 3.17Å; E93-K96 WeakPolarHBondContact O-CB 3.25Å; E93-K96 PolarHBondContact O-N 3.39Å; E93-K96 VanDerWaalsContact O-N 3.16Å; E93-K96 VanDerWaalsContact OE1-CD 3.26Å; E93-K96 WeakPolarHBondContact OE1-CD 3.46Å; E93-K96 IonicContact OE1-NZ 2.9Å; E93-K96 PolarHBondContact OE1-NZ 3Å; E93-K96 IonicContact OE2-NZ 2.62Å; E93-K96 PolarHBondContact OE2-NZ 3.34Å
94M98.1Very high95.8Very high18 Ų1864.7 Ų64.79%0.08931%0.305CS..Hα-helixtrans-60.4-34.2175.1-71.4-176.876.400111.9I54 I90 V91 K96 E97 Y98 F113 A116 L117 I120I54-M94 HydrophobicContact CD1-CB 3.92Å; I90-M94 HydrophobicContact CG2-SD 4.15Å; I90-M94 VanDerWaalsContact O-CG 3.32Å; I90-M94 WeakPolarHBondContact O-CG 3.38Å; I90-M94 PolarHBondContact O-N 3.25Å; V91-M94 PolarHBondContact O-N 2.87Å; M94-K96 PolarHBondContact O-N 3.43Å; M94-K96 VanDerWaalsContact O-N 3.1Å; M94-E97 PolarHBondContact O-N 3.15Å; M94-Y98 HydrophobicContact CB-CD2 4.23Å; M94-Y98 HydrophobicContact CE-CD2 4.19Å; M94-Y98 HydrophobicContact CE-CE2 3.71Å; M94-Y98 WeakPolarHBondContact O-CD2 3.36Å; M94-Y98 PolarHBondContact O-N 3.29Å; M94-F113 HydrophobicContact CB-CE2 4.48Å; M94-F113 HydrophobicContact CE-CD2 3.69Å; M94-F113 HydrophobicContact CE-CE2 3.72Å; M94-F113 HydrophobicContact SD-CE2 4.13Å; M94-A116 HydrophobicContact CE-CB 3.77Å; M94-L117 HydrophobicContact CE-CB 4.06Å; M94-L117 HydrophobicContact SD-CB 4.07Å; M94-L117 HydrophobicContact SD-CD1 3.81Å; M94-I120 HydrophobicContact CE-CD1 4.39Å; M94-I120 HydrophobicContact CG-CD1 4.34Å; M94-I120 HydrophobicContact SD-CD1 3.79Å
95G96.9Very high95.4Very high6 Ų661.3 Ų61.36%0.06229%0.289CS..Hα-helixtrans-59.4-21.3177.800000114.3S52 V91 E92 E93 E97S52-G95 WeakPolarHBondContact OG-CA 3.39Å; V91-G95 PolarHBondContact O-N 3.02Å; E92-G95 PolarHBondContact O-N 2.97Å; E93-G95 PolarHBondContact O-N 3.17Å; G95-E97 VanDerWaalsContact C-N 3.31Å
96K96.3Very high94.8Very high126 Ų12655.9 Ų55.955%0.54826%0.264SS..THydrogen-bonded Turntrans-67.8-33.1173-64.5168177.1168.70112.3E93 M94 K99E93-K96 WeakPolarHBondContact O-CB 3.25Å; E93-K96 PolarHBondContact O-N 3.39Å; E93-K96 VanDerWaalsContact O-N 3.16Å; E93-K96 VanDerWaalsContact OE1-CD 3.26Å; E93-K96 WeakPolarHBondContact OE1-CD 3.46Å; E93-K96 IonicContact OE1-NZ 2.9Å; E93-K96 PolarHBondContact OE1-NZ 3Å; E93-K96 IonicContact OE2-NZ 2.62Å; E93-K96 PolarHBondContact OE2-NZ 3.34Å; M94-K96 PolarHBondContact O-N 3.43Å; M94-K96 VanDerWaalsContact O-N 3.1Å; K96-K99 VanDerWaalsContact O-CE 3.32Å; K96-K99 WeakPolarHBondContact O-CE 3.32Å
97E95.6Very high94.2Very high122 Ų12259.2 Ų59.257%0.5728%0.278SS*.THydrogen-bonded Turntrans-93.6-38.9178.2174.7171.918000112.3M94 G95 K99 K108M94-E97 PolarHBondContact O-N 3.15Å; G95-E97 VanDerWaalsContact C-N 3.31Å; E97-K99 VanDerWaalsContact C-N 3.28Å; E97-K99 PolarHBondContact O-N 3.31Å; E97-K99 VanDerWaalsContact O-N 3.15Å; E97-K108 VanDerWaalsContact O-CE 3.31Å; E97-K108 WeakPolarHBondContact O-CE 3.31Å; E97-K108 PolarHBondContact O-NZ 2.93Å; E97-K108 IonicContact OE1-NZ 3.08Å; E97-K108 PolarHBondContact OE1-NZ 2.83Å; E97-K108 VanDerWaalsContact OE1-NZ 3.13Å
98Y96.8Very high94Very high20 Ų2061.3 Ų61.38%0.07829%0.287CS..SBendtrans-8960.8-178.9-74.9-88.2000111.1Y44 G53 M94 K108 H112 F113Y44-Y98 AromaticContact CD1-CD1 3.7Å; Y44-Y98 HydrophobicContact CD1-CD1 3.7Å; Y44-Y98 HydrophobicContact CD1-CE1 4.29Å; Y44-Y98 HydrophobicContact CD2-CD1 4.21Å; Y44-Y98 AromaticContact CE1-CD1 3.72Å; Y44-Y98 HydrophobicContact CE1-CD1 3.72Å; Y44-Y98 HydrophobicContact CE1-CE1 4.4Å; Y44-Y98 HydrophobicContact CE2-CD1 4.26Å; Y44-Y98 VanDerWaalsContact CE2-O 3.26Å; Y44-Y98 WeakPolarHBondContact CE2-O 3.5Å; Y44-Y98 AromaticContact CG-CD1 3.95Å; Y44-Y98 HydrophobicContact CG-CD1 3.95Å; G53-Y98 PolarHBondContact N-O 2.71Å; M94-Y98 HydrophobicContact CB-CD2 4.23Å; M94-Y98 HydrophobicContact CE-CD2 4.19Å; M94-Y98 HydrophobicContact CE-CE2 3.71Å; M94-Y98 WeakPolarHBondContact O-CD2 3.36Å; M94-Y98 PolarHBondContact O-N 3.29Å; Y98-K108 HydrophobicContact CE1-CG 4.41Å; Y98-H112 PolarHBondContact OH-O 2.89Å; Y98-F113 HydrophobicContact CD1-CB 3.85Å; Y98-F113 HydrophobicContact CD1-CD2 4.08Å; Y98-F113 HydrophobicContact CD1-CG 4.4Å; Y98-F113 HydrophobicContact CD2-CD2 4.1Å; Y98-F113 HydrophobicContact CE1-CB 3.55Å; Y98-F113 HydrophobicContact CE1-CD2 4.23Å; Y98-F113 HydrophobicContact CE1-CG 4.4Å; Y98-F113 HydrophobicContact CE2-CD2 4.24Å; Y98-F113 HydrophobicContact CG-CD2 4.01Å
99K96.6Very high93.8Very high85 Ų8557.1 Ų57.137%0.3727%0.268SS..BIsolated β-bridgetrans-73.2144.4174.5-64.7177.5172.2-177.30111Y44 P50 F51 K96 E97 N101 A102Y44-K99 PolarHBondContact OH-O 2.59Å; P50-K99 VanDerWaalsContact O-CD 3.23Å; P50-K99 WeakPolarHBondContact O-CD 3.2Å; P50-K99 WeakPolarHBondContact O-CE 3.18Å; P50-K99 WeakPolarHBondContact O-CG 3.29Å; F51-K99 CarbonylContact O-C 3.57Å; F51-K99 WeakPolarHBondContact O-CA 3.39Å; K96-K99 VanDerWaalsContact O-CE 3.32Å; K96-K99 WeakPolarHBondContact O-CE 3.32Å; E97-K99 VanDerWaalsContact C-N 3.28Å; E97-K99 PolarHBondContact O-N 3.31Å; E97-K99 VanDerWaalsContact O-N 3.15Å; K99-N101 VanDerWaalsContact C-N 3.27Å; K99-N101 VanDerWaalsContact CB-OD1 3.32Å; K99-N101 WeakPolarHBondContact CB-OD1 3.47Å; K99-N101 PolarHBondContact O-N 2.75Å; K99-A102 HydrophobicContact CB-CB 4.28Å; K99-A102 WeakPolarHBondContact O-CB 3.36Å; K99-A102 PolarHBondContact O-N 2.98Å
100G92.6Very high93.7Very high0 Ų049.7 Ų49.70%024%0.24CC..G310 helixtrans-62.5-35.5-178.900000112.7H47 F51 G53 A102 Y103H47-G100 PolarHBondContact N-O 3.04Å; H47-G100 CarbonylContact O-C 2.93Å; H47-G100 VanDerWaalsContact O-O 3.09Å; F51-G100 PolarHBondContact O-N 3.24Å; G53-G100 VanDerWaalsContact N-N 3.2Å; G100-A102 PolarHBondContact O-N 3.35Å; G100-Y103 VanDerWaalsContact O-CB 3.24Å; G100-Y103 WeakPolarHBondContact O-CB 3.43Å; G100-Y103 PolarHBondContact O-N 3.03Å
101N92.2Very high93.6Very high81 Ų8148.7 Ų48.743%0.43324%0.235SC..G310 helixtrans-73.5-11177.772.1-21.4000114.2H47 Y49 K99H47-N101 WeakPolarHBondContact O-CA 3.44Å; H47-N101 PolarHBondContact O-N 3.44Å; Y49-N101 WeakPolarHBondContact O-CB 3.42Å; Y49-N101 PolarHBondContact O-N 2.66Å; K99-N101 VanDerWaalsContact C-N 3.27Å; K99-N101 VanDerWaalsContact CB-OD1 3.32Å; K99-N101 WeakPolarHBondContact CB-OD1 3.47Å; K99-N101 PolarHBondContact O-N 2.75Å
102A92.9Very high93.6Very high42 Ų4250.6 Ų50.635%0.34724%0.243SC..G310 helixtrans-93.80.9174.300000112.5K99 G100 H104K99-A102 HydrophobicContact CB-CB 4.28Å; K99-A102 WeakPolarHBondContact O-CB 3.36Å; K99-A102 PolarHBondContact O-N 2.98Å; G100-A102 PolarHBondContact O-N 3.35Å; A102-H104 PolarHBondContact O-N 3.44Å
103Y93.6Very high93.6Very high31 Ų3143.5 Ų43.512%0.12221%0.21CC..  trans-65.2133.5-179.5-174.8-80.8000110.7Y44 G45 G46 G100 N109 P154Y44-Y103 AromaticContact CD1-CD2 3.7Å; Y44-Y103 HydrophobicContact CD1-CD2 3.7Å; Y44-Y103 HydrophobicContact CD1-CE2 4.02Å; Y44-Y103 AromaticContact CE1-CD2 3.38Å; Y44-Y103 HydrophobicContact CE1-CD2 3.38Å; Y44-Y103 HydrophobicContact CE1-CE2 4.11Å; Y44-Y103 HydrophobicContact CE1-CG 4.19Å; Y44-Y103 HydrophobicContact CE2-CD2 4.35Å; Y44-Y103 HydrophobicContact CG-CD2 4.33Å; Y44-Y103 AromaticContact CZ-CD2 3.74Å; Y44-Y103 WeakPolarHBondContact OH-CA 3.31Å; Y44-Y103 PolarHBondContact OH-N 3.25Å; Y44-Y103 VanDerWaalsContact OH-N 3.11Å; G45-Y103 VanDerWaalsContact C-CD2 3.41Å; G46-Y103 VanDerWaalsContact CA-CG 3.47Å; G100-Y103 VanDerWaalsContact O-CB 3.24Å; G100-Y103 WeakPolarHBondContact O-CB 3.43Å; G100-Y103 PolarHBondContact O-N 3.03Å; Y103-N109 HydrophobicContact CE2-CB 4.34Å; Y103-P154 WeakPolarHBondContact O-CD 3.32Å
104H88.2Confident93.6Very high34 Ų3438.2 Ų38.216%0.15719%0.185CC..BIsolated β-bridgetrans-143.9120.8174.9-167.6-73.7000110.6A102 M106 H107 K108 N109 L152A102-H104 PolarHBondContact O-N 3.44Å; H104-M106 PolarHBondContact ND1-N 3.38Å; H104-M106 PolarHBondContact O-N 3.33Å; H104-H107 HydrophobicContact CB-CB 4.39Å; H104-H107 AromaticContact CE1-CD2 3.51Å; H104-H107 AromaticContact ND1-CD2 3.53Å; H104-H107 AromaticContact ND1-CG 3.97Å; H104-H107 PolarHBondContact ND1-N 3.27Å; H104-H107 PolarHBondContact O-N 2.87Å; H104-H107 VanDerWaalsContact O-N 3.11Å; H104-K108 CarbonylContact C-O 3.57Å; H104-K108 HydrophobicContact CB-CB 4.48Å; H104-K108 PolarHBondContact N-O 2.7Å; H104-K108 CarbonylContact O-C 3.51Å; H104-K108 PolarHBondContact O-N 3.41Å; H104-K108 VanDerWaalsContact O-O 3.07Å; H104-N109 PolarHBondContact O-N 3.5Å; H104-L152 WeakPolarHBondContact CA-O 3.43Å
105L85.8Confident93.6Very high9 Ų938.4 Ų38.45%0.04719%0.188CC..THydrogen-bonded Turntrans-53.6-33.6-173.1-175.764.3000113.8N109 L133 W151 L152L105-N109 WeakPolarHBondContact O-CB 3.42Å; L105-N109 PolarHBondContact O-ND2 3.14Å; L105-L133 HydrophobicContact CD2-CD2 4.07Å; L105-L133 HydrophobicContact CG-CD2 4.02Å; L105-W151 VanDerWaalsContact CB-O 3.31Å; L105-W151 WeakPolarHBondContact CB-O 3.33Å; L105-W151 HydrophobicContact CD2-CB 4.21Å; L105-W151 WeakPolarHBondContact CD2-O 3.5Å; L105-L152 HydrophobicContact CB-CD2 4.46Å; L105-L152 PolarHBondContact N-O 2.64Å; L105-L152 VanDerWaalsContact N-O 3.09Å
106M83.9Confident93.7Very high5 Ų539.4 Ų39.43%0.02520%0.196CC..THydrogen-bonded Turntrans-94.7-23.9-179.5-71.916540.600115.7H104 A134 S137 Q144 L147 L152H104-M106 PolarHBondContact ND1-N 3.38Å; H104-M106 PolarHBondContact O-N 3.33Å; M106-A134 WeakPolarHBondContact O-CB 3.18Å; M106-S137 WeakPolarHBondContact CE-OG 3.21Å; M106-Q144 HydrophobicContact CE-CB 3.9Å; M106-Q144 HydrophobicContact CE-CG 4.06Å; M106-Q144 HydrophobicContact SD-CB 4.27Å; M106-Q144 HydrophobicContact SD-CG 4.23Å; M106-L147 HydrophobicContact SD-CD1 4.25Å; M106-L152 HydrophobicContact CG-CD2 4.13Å; M106-L152 HydrophobicContact SD-CD2 3.58Å; M106-L152 VanDerWaalsContact SD-CD2 3.58Å
107H85.3Confident93.8Very high110 Ų11033.4 Ų33.451%0.50917%0.17SC..THydrogen-bonded Turntrans-127.6-20.1-164.5-61.8-50000114H104H104-H107 HydrophobicContact CB-CB 4.39Å; H104-H107 AromaticContact CE1-CD2 3.51Å; H104-H107 AromaticContact ND1-CD2 3.53Å; H104-H107 AromaticContact ND1-CG 3.97Å; H104-H107 PolarHBondContact ND1-N 3.27Å; H104-H107 PolarHBondContact O-N 2.87Å; H104-H107 VanDerWaalsContact O-N 3.11Å
108K92.4Very high93.9Very high46 Ų4627.6 Ų27.620%0.214%0.143CC..BIsolated β-bridgetrans-156.877.3179.3-168.3156.5-178.2158.50108.1Y44 E97 Y98 H104Y44-K108 HydrophobicContact CE1-CG 4.16Å; Y44-K108 WeakPolarHBondContact CE1-O 3.48Å; E97-K108 VanDerWaalsContact O-CE 3.31Å; E97-K108 WeakPolarHBondContact O-CE 3.31Å; E97-K108 PolarHBondContact O-NZ 2.93Å; E97-K108 IonicContact OE1-NZ 3.08Å; E97-K108 PolarHBondContact OE1-NZ 2.83Å; E97-K108 VanDerWaalsContact OE1-NZ 3.13Å; Y98-K108 HydrophobicContact CE1-CG 4.41Å; H104-K108 CarbonylContact C-O 3.57Å; H104-K108 HydrophobicContact CB-CB 4.48Å; H104-K108 PolarHBondContact N-O 2.7Å; H104-K108 CarbonylContact O-C 3.51Å; H104-K108 PolarHBondContact O-N 3.41Å; H104-K108 VanDerWaalsContact O-O 3.07Å
109N93.7Very high93.9Very high3 Ų331.7 Ų31.72%0.01616%0.162CC..SBendtrans-117.9179.9-174.469.721.3000110.8Y103 H104 L105 N111 H112 F113 N131Y103-N109 HydrophobicContact CE2-CB 4.34Å; H104-N109 PolarHBondContact O-N 3.5Å; L105-N109 WeakPolarHBondContact O-CB 3.42Å; L105-N109 PolarHBondContact O-ND2 3.14Å; N109-N111 VanDerWaalsContact C-N 3.27Å; N109-N111 PolarHBondContact O-N 3.37Å; N109-N111 WeakPolarHBondContact OD1-CA 3.45Å; N109-N111 WeakPolarHBondContact OD1-CB 3.48Å; N109-N111 PolarHBondContact OD1-N 3.19Å; N109-H112 PolarHBondContact N-ND1 3.15Å; N109-H112 PolarHBondContact O-N 2.77Å; N109-H112 VanDerWaalsContact O-N 3.15Å; N109-H112 PolarHBondContact OD1-N 3.44Å; N109-H112 PolarHBondContact OD1-ND1 3.41Å; N109-F113 PolarHBondContact O-N 3.04Å; N109-N131 PolarHBondContact ND2-OD1 3.15Å; N109-N131 VanDerWaalsContact ND2-OD1 3.12Å
110C95.5Very high94Very high2 Ų231.5 Ų31.51%0.01417%0.165CC..Hα-helixtrans-48.7-44.2174.848.90000113.7H32 Y44 H112 F113 S114H32-C110 VanDerWaalsContact ND1-CB 3.31Å; H32-C110 WeakPolarHBondContact ND1-CB 3.41Å; H32-C110 PolarHBondContact ND1-SG 3.12Å; Y44-C110 WeakPolarHBondContact O-CB 3.22Å; C110-H112 PolarHBondContact O-N 3.28Å; C110-F113 WeakPolarHBondContact O-CB 3.27Å; C110-F113 PolarHBondContact O-N 2.74Å; C110-F113 VanDerWaalsContact O-N 3.16Å; C110-S114 PolarHBondContact O-N 2.96Å; C110-S114 PolarHBondContact O-OG 2.95Å; C110-S114 VanDerWaalsContact O-OG 3.11Å
111N96.6Very high94.2Very high6 Ų631.9 Ų31.93%0.03217%0.166CC..Hα-helixtrans-67.7-34-177.6-52.3-37.2000112.7F31 S33 N109 F113 S115 I126 V130 N131F31-N111 PolarHBondContact O-ND2 2.92Å; F31-N111 PolarHBondContact O-OD1 3.09Å; S33-N111 PolarHBondContact N-OD1 3.38Å; S33-N111 PolarHBondContact OG-OD1 3.34Å; S33-N111 VanDerWaalsContact OG-OD1 3.08Å; N109-N111 VanDerWaalsContact C-N 3.27Å; N109-N111 PolarHBondContact O-N 3.37Å; N109-N111 WeakPolarHBondContact OD1-CA 3.45Å; N109-N111 WeakPolarHBondContact OD1-CB 3.48Å; N109-N111 PolarHBondContact OD1-N 3.19Å; N111-F113 VanDerWaalsContact C-N 3.35Å; N111-S115 WeakPolarHBondContact O-CB 3.32Å; N111-S115 PolarHBondContact O-N 3.23Å; N111-I126 HydrophobicContact CB-CD1 3.91Å; N111-I126 VanDerWaalsContact O-CD1 3.26Å; N111-I126 WeakPolarHBondContact O-CD1 3.37Å; N111-V130 PolarHBondContact ND2-O 3.09Å; N111-N131 HydrophobicContact CB-CB 3.72Å; N111-N131 PolarHBondContact ND2-OD1 3.1Å
112H96.6Very high94.4Very high56 Ų5629.3 Ų29.326%0.25915%0.154SC..Hα-helixtrans-65.8-42.4173.1-63.688.9000110.8Y98 N109 C110 S115 A116 N131Y98-H112 PolarHBondContact OH-O 2.89Å; N109-H112 PolarHBondContact N-ND1 3.15Å; N109-H112 PolarHBondContact O-N 2.77Å; N109-H112 VanDerWaalsContact O-N 3.15Å; N109-H112 PolarHBondContact OD1-N 3.44Å; N109-H112 PolarHBondContact OD1-ND1 3.41Å; C110-H112 PolarHBondContact O-N 3.28Å; H112-S115 PolarHBondContact O-N 3.21Å; H112-A116 WeakPolarHBondContact O-CB 3.4Å; H112-A116 PolarHBondContact O-N 3.03Å; H112-N131 PolarHBondContact CE1-ND2 2.66Å; H112-N131 VanDerWaalsContact CE1-ND2 3.34Å; H112-N131 PolarHBondContact NE2-ND2 2.86Å
113F98.1Very high94.6Very high0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-60.8-51.9174.3168.3-102.9000111.7F42 Y44 I54 M94 Y98 N109 C110 N111 S115 A116 L117F42-F113 HydrophobicContact CB-CE1 4.18Å; F42-F113 HydrophobicContact CB-CZ 4.24Å; Y44-F113 HydrophobicContact CD1-CB 4.16Å; Y44-F113 HydrophobicContact CG-CB 4.13Å; Y44-F113 HydrophobicContact CG-CG 4.46Å; I54-F113 HydrophobicContact CD1-CD2 4.15Å; I54-F113 HydrophobicContact CD1-CE2 3.45Å; I54-F113 VanDerWaalsContact CD1-CE2 3.45Å; I54-F113 HydrophobicContact CD1-CZ 4.06Å; I54-F113 HydrophobicContact CG1-CD2 4.17Å; I54-F113 HydrophobicContact CG1-CE2 3.73Å; I54-F113 HydrophobicContact CG1-CZ 4.1Å; I54-F113 HydrophobicContact CG2-CE1 4.31Å; I54-F113 HydrophobicContact CG2-CE2 4.23Å; I54-F113 HydrophobicContact CG2-CZ 3.73Å; M94-F113 HydrophobicContact CB-CE2 4.48Å; M94-F113 HydrophobicContact CE-CD2 3.69Å; M94-F113 HydrophobicContact CE-CE2 3.72Å; M94-F113 HydrophobicContact SD-CE2 4.13Å; Y98-F113 HydrophobicContact CD1-CB 3.85Å; Y98-F113 HydrophobicContact CD1-CD2 4.08Å; Y98-F113 HydrophobicContact CD1-CG 4.4Å; Y98-F113 HydrophobicContact CD2-CD2 4.1Å; Y98-F113 HydrophobicContact CE1-CB 3.55Å; Y98-F113 HydrophobicContact CE1-CD2 4.23Å; Y98-F113 HydrophobicContact CE1-CG 4.4Å; Y98-F113 HydrophobicContact CE2-CD2 4.24Å; Y98-F113 HydrophobicContact CG-CD2 4.01Å; N109-F113 PolarHBondContact O-N 3.04Å; C110-F113 WeakPolarHBondContact O-CB 3.27Å; C110-F113 PolarHBondContact O-N 2.74Å; C110-F113 VanDerWaalsContact O-N 3.16Å; N111-F113 VanDerWaalsContact C-N 3.35Å; F113-S115 VanDerWaalsContact C-N 3.27Å; F113-S115 PolarHBondContact O-N 3.34Å; F113-A116 PolarHBondContact O-N 2.92Å; F113-A116 VanDerWaalsContact O-N 3.14Å; F113-L117 HydrophobicContact CE1-CD2 4.01Å; F113-L117 HydrophobicContact CE2-CB 4.49Å; F113-L117 HydrophobicContact CE2-CD2 4.41Å; F113-L117 HydrophobicContact CZ-CB 4.42Å; F113-L117 HydrophobicContact CZ-CD2 3.66Å; F113-L117 WeakPolarHBondContact O-CB 3.39Å; F113-L117 PolarHBondContact O-N 3.08Å
114S98.2Very high94.7Very high0 Ų035.9 Ų35.90%019%0.189CC..Hα-helixtrans-58.9-39.7179.7-55.60000111.8S33 C110 S118S33-S114 PolarHBondContact O-OG 3.17Å; S33-S114 VanDerWaalsContact O-OG 3.04Å; S33-S114 VanDerWaalsContact OG-CB 3.31Å; S33-S114 WeakPolarHBondContact OG-CB 3.32Å; S33-S114 PolarHBondContact OG-OG 2.91Å; C110-S114 PolarHBondContact O-N 2.96Å; C110-S114 PolarHBondContact O-OG 2.95Å; C110-S114 VanDerWaalsContact O-OG 3.11Å; S114-S118 VanDerWaalsContact O-CB 3.29Å; S114-S118 WeakPolarHBondContact O-CB 3.24Å; S114-S118 PolarHBondContact O-N 2.9Å; S114-S118 PolarHBondContact O-OG 3.28Å; S114-S118 VanDerWaalsContact O-OG 3.08Å
115S97.9Very high95.1Very high23 Ų2339.6 Ų39.616%0.16121%0.206CC..Hα-helixtrans-64-45.3175.5-162.20000112.6N111 H112 F113 S118 E119N111-S115 WeakPolarHBondContact O-CB 3.32Å; N111-S115 PolarHBondContact O-N 3.23Å; H112-S115 PolarHBondContact O-N 3.21Å; F113-S115 VanDerWaalsContact C-N 3.27Å; F113-S115 PolarHBondContact O-N 3.34Å; S115-S118 PolarHBondContact O-OG 2.94Å; S115-S118 VanDerWaalsContact O-OG 3.12Å; S115-E119 VanDerWaalsContact O-CB 3.3Å; S115-E119 WeakPolarHBondContact O-CB 3.21Å; S115-E119 PolarHBondContact O-N 3.49Å
116A98.2Very high95.6Very high27 Ų2739.7 Ų39.722%0.22321%0.207CC..Hα-helixtrans-66.4-42.3179.500000111.6M94 H112 F113 E119 I120M94-A116 HydrophobicContact CE-CB 3.77Å; H112-A116 WeakPolarHBondContact O-CB 3.4Å; H112-A116 PolarHBondContact O-N 3.03Å; F113-A116 PolarHBondContact O-N 2.92Å; F113-A116 VanDerWaalsContact O-N 3.14Å; A116-E119 PolarHBondContact O-N 3.47Å; A116-I120 WeakPolarHBondContact O-CD1 3.31Å; A116-I120 WeakPolarHBondContact O-CG1 3.43Å; A116-I120 PolarHBondContact O-N 2.99Å; A116-I120 VanDerWaalsContact O-N 3.09Å
117L98.4Very high96.2Very high0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-66.6-45.2178.2-179.758.3000111.2I35 F42 I90 V91 M94 F113 E119 I120 L121I35-L117 HydrophobicContact CB-CD2 3.85Å; I35-L117 HydrophobicContact CB-CG 4.46Å; I35-L117 HydrophobicContact CG1-CB 4.38Å; I35-L117 HydrophobicContact CG1-CD2 4.07Å; I35-L117 HydrophobicContact CG1-CG 4.33Å; I35-L117 HydrophobicContact CG2-CD2 4.12Å; I35-L117 HydrophobicContact CG2-CG 4.43Å; F42-L117 HydrophobicContact CB-CD2 4.16Å; I90-L117 HydrophobicContact CG2-CD1 3.91Å; V91-L117 HydrophobicContact CG2-CD1 4.33Å; V91-L117 HydrophobicContact CG2-CD2 4.39Å; M94-L117 HydrophobicContact CE-CB 4.06Å; M94-L117 HydrophobicContact SD-CB 4.07Å; M94-L117 HydrophobicContact SD-CD1 3.81Å; F113-L117 HydrophobicContact CE1-CD2 4.01Å; F113-L117 HydrophobicContact CE2-CB 4.49Å; F113-L117 HydrophobicContact CE2-CD2 4.41Å; F113-L117 HydrophobicContact CZ-CB 4.42Å; F113-L117 HydrophobicContact CZ-CD2 3.66Å; F113-L117 WeakPolarHBondContact O-CB 3.39Å; F113-L117 PolarHBondContact O-N 3.08Å; L117-E119 VanDerWaalsContact C-N 3.29Å; L117-E119 PolarHBondContact O-N 3.04Å; L117-I120 PolarHBondContact O-N 3.28Å; L117-L121 HydrophobicContact CD1-CD1 3.78Å; L117-L121 HydrophobicContact CD1-CG 3.95Å; L117-L121 HydrophobicContact CG-CD1 3.83Å; L117-L121 HydrophobicContact CG-CG 4.37Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 2.87Å
118S98.1Very high96.4Very high0 Ų046.2 Ų46.20%023%0.231CC..Hα-helixtrans-65.3-33.6178.469.20000112.6L77 S114 S115 L121 C122 G123 R124L77-S118 VanDerWaalsContact CD1-CB 3.49Å; S114-S118 VanDerWaalsContact O-CB 3.29Å; S114-S118 WeakPolarHBondContact O-CB 3.24Å; S114-S118 PolarHBondContact O-N 2.9Å; S114-S118 PolarHBondContact O-OG 3.28Å; S114-S118 VanDerWaalsContact O-OG 3.08Å; S115-S118 PolarHBondContact O-OG 2.94Å; S115-S118 VanDerWaalsContact O-OG 3.12Å; S118-L121 PolarHBondContact O-N 2.92Å; S118-C122 PolarHBondContact O-N 3.19Å; S118-C122 PolarHBondContact O-SG 3.16Å; S118-G123 PolarHBondContact O-N 3.49Å; S118-R124 CarbonylContact C-O 3.49Å; S118-R124 VanDerWaalsContact CB-O 3.28Å; S118-R124 WeakPolarHBondContact CB-O 3.26Å; S118-R124 PolarHBondContact OG-O 3.22Å
119E97.9Very high96.3Very high105 Ų10547.5 Ų47.549%0.49124%0.235SC..Hα-helixtrans-66-42.4174.6-171.7172.7-167.900111.6S115 A116 L117 G123 R124S115-E119 VanDerWaalsContact O-CB 3.3Å; S115-E119 WeakPolarHBondContact O-CB 3.21Å; S115-E119 PolarHBondContact O-N 3.49Å; A116-E119 PolarHBondContact O-N 3.47Å; L117-E119 VanDerWaalsContact C-N 3.29Å; L117-E119 PolarHBondContact O-N 3.04Å; E119-G123 WeakPolarHBondContact O-CA 3.47Å; E119-G123 PolarHBondContact O-N 3.38Å; E119-R124 PolarHBondContact N-O 3Å
120I97.8Very high96.3Very high82 Ų8247.4 Ų47.442%0.42123%0.234SC..Hα-helixtrans-62.6-46.3174.1-67.9161.3000110.9F82 I90 M94 A116 L117F82-I120 WeakPolarHBondContact CE2-O 3.31Å; I90-I120 HydrophobicContact CD1-CG2 4.05Å; I90-I120 HydrophobicContact CG1-CG2 4.42Å; I90-I120 HydrophobicContact CG2-CD1 4.35Å; I90-I120 HydrophobicContact CG2-CG2 3.86Å; M94-I120 HydrophobicContact CE-CD1 4.39Å; M94-I120 HydrophobicContact CG-CD1 4.34Å; M94-I120 HydrophobicContact SD-CD1 3.79Å; A116-I120 WeakPolarHBondContact O-CD1 3.31Å; A116-I120 WeakPolarHBondContact O-CG1 3.43Å; A116-I120 PolarHBondContact O-N 2.99Å; A116-I120 VanDerWaalsContact O-N 3.09Å; L117-I120 PolarHBondContact O-N 3.28Å
121L97.3Very high96Very high7 Ų748.6 Ų48.64%0.03724%0.241CC..Hα-helixtrans-76.5-38.5-171.8-66.5176.4000113.7I9 I35 I37 T80 F82 V87 I90 L117 S118I9-L121 HydrophobicContact CD1-CB 4.17Å; I9-L121 HydrophobicContact CD1-CD1 3.98Å; I9-L121 HydrophobicContact CG1-CB 4.29Å; I35-L121 HydrophobicContact CG2-CD1 4.19Å; I37-L121 HydrophobicContact CD1-CD1 4.45Å; T80-L121 VanDerWaalsContact CB-O 3.29Å; T80-L121 WeakPolarHBondContact CB-O 3.33Å; T80-L121 PolarHBondContact OG1-O 3.24Å; T80-L121 VanDerWaalsContact OG1-O 3.1Å; F82-L121 HydrophobicContact CD2-CD2 3.77Å; F82-L121 HydrophobicContact CE2-CD2 4.47Å; F82-L121 HydrophobicContact CG-CD2 4.48Å; V87-L121 HydrophobicContact CG2-CD2 3.99Å; I90-L121 HydrophobicContact CD1-CD2 4.07Å; L117-L121 HydrophobicContact CD1-CD1 3.78Å; L117-L121 HydrophobicContact CD1-CG 3.95Å; L117-L121 HydrophobicContact CG-CD1 3.83Å; L117-L121 HydrophobicContact CG-CG 4.37Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 2.87Å; S118-L121 PolarHBondContact O-N 2.92Å
122C96.6Very high95.4Very high27 Ų2754.6 Ų54.618%0.18226%0.263CS..Hα-helixtrans-139.78.8-172.570.90000114.7I9 S79 S118 R124I9-C122 HydrophobicContact CG1-CB 4.18Å; S79-C122 WeakPolarHBondContact O-CB 3.26Å; S118-C122 PolarHBondContact O-N 3.19Å; S118-C122 PolarHBondContact O-SG 3.16Å; C122-R124 PolarHBondContact O-N 3.01Å
123G96.8Very high94.6Very high61 Ų6152.2 Ų52.263%0.62925%0.252SS*.SBendtrans66.723.4177.500000114S118 E119S118-G123 PolarHBondContact O-N 3.49Å; E119-G123 WeakPolarHBondContact O-CA 3.47Å; E119-G123 PolarHBondContact O-N 3.38Å
124R95.2Very high93.7Very high150 Ų15052.7 Ų52.757%0.56626%0.256SS*.  trans-129.8135.4-179.1-67.8177.3176.6-166.90.7110.9L77 S118 E119 C122L77-R124 WeakPolarHBondContact O-CD 3.46Å; L77-R124 PolarHBondContact O-NH1 2.9Å; S118-R124 CarbonylContact C-O 3.49Å; S118-R124 VanDerWaalsContact CB-O 3.28Å; S118-R124 WeakPolarHBondContact CB-O 3.26Å; S118-R124 PolarHBondContact OG-O 3.22Å; E119-R124 PolarHBondContact N-O 3Å; C122-R124 PolarHBondContact O-N 3.01Å
125E95.8Very high92.7Very high112 Ų11260.5 Ų60.552%0.52329%0.286SS..PPolyproline II helixtrans-78.2160.7169.3-64.7179.2174.900111.4
126I97.1Very high91.6Very high12 Ų1263.1 Ų63.16%0.06230%0.295CS..PPolyproline II helixtrans-70.1157.8172.165.4173.8000111.5L11 L77 N111 R128 V130L11-I126 HydrophobicContact CD1-CB 4.39Å; L11-I126 HydrophobicContact CD1-CG2 3.54Å; L11-I126 HydrophobicContact CD2-CB 3.75Å; L11-I126 HydrophobicContact CD2-CG2 3.75Å; L11-I126 HydrophobicContact CG-CG2 4.25Å; L77-I126 HydrophobicContact CD1-CG2 4.22Å; N111-I126 HydrophobicContact CB-CD1 3.91Å; N111-I126 VanDerWaalsContact O-CD1 3.26Å; N111-I126 WeakPolarHBondContact O-CD1 3.37Å; I126-R128 PolarHBondContact O-N 3.47Å; I126-V130 HydrophobicContact CD1-CB 4.24Å; I126-V130 HydrophobicContact CD1-CG1 4.16Å
127P95.7Very high90.5Very high35 Ų3562.2 Ų62.223%0.22729%0.287CS..PPolyproline II helixtrans-57.3128.4176.2-24.634.9000112.4L11 I75 W129 V130L11-P127 HydrophobicContact CD2-CG 4.46Å; I75-P127 HydrophobicContact CD1-CG 4.07Å; P127-W129 HydrophobicContact CB-CG 4.38Å; P127-W129 VanDerWaalsContact CB-NE1 3.3Å; P127-W129 PolarHBondContact O-N 3.42Å; P127-V130 HydrophobicContact CB-CG2 4.23Å; P127-V130 WeakPolarHBondContact O-CB 3.46Å; P127-V130 WeakPolarHBondContact O-CG2 3.31Å; P127-V130 PolarHBondContact O-N 2.96Å
128R91Very high89.4Confident217 Ų21766.2 Ų66.282%0.81932%0.315SS*.THydrogen-bonded Turntrans-54.6-25.2-175.2-66.9-175.6-178.4146.51.8115.1I126 V130I126-R128 PolarHBondContact O-N 3.47Å; R128-V130 VanDerWaalsContact C-N 3.27Å; R128-V130 PolarHBondContact O-N 3.11Å
129W90.8Very high88.2Confident72 Ų7269.6 Ų69.627%0.27334%0.338SS..THydrogen-bonded Turntrans-69.9-24.5179.265.9-101000112.9V13 F31 K72 E73 I75 P127 R132V13-W129 HydrophobicContact CB-CH2 4.44Å; V13-W129 HydrophobicContact CG1-CH2 3.88Å; V13-W129 HydrophobicContact CG1-CZ3 4.07Å; V13-W129 HydrophobicContact CG2-CH2 4.29Å; F31-W129 HydrophobicContact CD1-CZ3 4.34Å; F31-W129 HydrophobicContact CD2-CE3 4.03Å; F31-W129 AromaticContact CD2-CZ3 3.94Å; F31-W129 HydrophobicContact CD2-CZ3 3.94Å; F31-W129 HydrophobicContact CE1-CZ3 4.32Å; F31-W129 AromaticContact CE2-CE3 3.86Å; F31-W129 HydrophobicContact CE2-CE3 3.86Å; F31-W129 AromaticContact CE2-CZ3 3.9Å; F31-W129 HydrophobicContact CE2-CZ3 3.9Å; F31-W129 HydrophobicContact CG-CZ3 4.16Å; F31-W129 HydrophobicContact CZ-CE3 4.39Å; F31-W129 HydrophobicContact CZ-CZ3 4.1Å; K72-W129 HydrophobicContact CD-CH2 4.31Å; K72-W129 HydrophobicContact CD-CZ3 4.4Å; E73-W129 WeakPolarHBondContact OE1-CH2 3.11Å; I75-W129 HydrophobicContact CD1-CZ2 3.81Å; P127-W129 HydrophobicContact CB-CG 4.38Å; P127-W129 VanDerWaalsContact CB-NE1 3.3Å; P127-W129 PolarHBondContact O-N 3.42Å; W129-R132 WeakPolarHBondContact O-CB 3.43Å; W129-R132 PolarHBondContact O-N 3.13Å
130V91.9Very high87.2Confident1 Ų167 Ų671%0.00633%0.33CS..THydrogen-bonded Turntrans-65.5-41.6179.7-179.70000110.3L11 V13 F31 N111 I126 P127 R128L11-V130 HydrophobicContact CD2-CG2 4.32Å; V13-V130 HydrophobicContact CG1-CG1 4.47Å; V13-V130 HydrophobicContact CG2-CG2 4.17Å; F31-V130 HydrophobicContact CB-CG1 4.16Å; N111-V130 PolarHBondContact ND2-O 3.09Å; I126-V130 HydrophobicContact CD1-CB 4.24Å; I126-V130 HydrophobicContact CD1-CG1 4.16Å; P127-V130 HydrophobicContact CB-CG2 4.23Å; P127-V130 WeakPolarHBondContact O-CB 3.46Å; P127-V130 WeakPolarHBondContact O-CG2 3.31Å; P127-V130 PolarHBondContact O-N 2.96Å; R128-V130 VanDerWaalsContact C-N 3.27Å; R128-V130 PolarHBondContact O-N 3.11Å
131N89.1Confident85.7Confident27 Ų2768.2 Ų68.214%0.14434%0.343CS..THydrogen-bonded Turntrans-100.432.8178.6-155.519.4000113.6N109 N111 H112 L133 A134 Y135N109-N131 PolarHBondContact ND2-OD1 3.15Å; N109-N131 VanDerWaalsContact ND2-OD1 3.12Å; N111-N131 HydrophobicContact CB-CB 3.72Å; N111-N131 PolarHBondContact ND2-OD1 3.1Å; H112-N131 PolarHBondContact CE1-ND2 2.66Å; H112-N131 VanDerWaalsContact CE1-ND2 3.34Å; H112-N131 PolarHBondContact NE2-ND2 2.86Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.81Å; N131-A134 PolarHBondContact O-N 3.46Å; N131-A134 WeakPolarHBondContact OD1-CB 3.49Å; N131-Y135 PolarHBondContact O-N 3.11Å
132R84.8Confident84.4Confident133 Ų13374.8 Ų74.850%0.50237%0.371SS..Hα-helixtrans-63.7-33.1-175.7-173.1176.2-72.7167.9-0.4113W129 Y135 F136W129-R132 WeakPolarHBondContact O-CB 3.43Å; W129-R132 PolarHBondContact O-N 3.13Å; R132-Y135 PolarHBondContact O-N 2.94Å; R132-F136 VanDerWaalsContact O-CB 3.32Å; R132-F136 WeakPolarHBondContact O-CB 3.12Å; R132-F136 PolarHBondContact O-N 3.16Å
133L79.8Confident83.1Confident6 Ų674 Ų743%0.03137%0.365CS..Hα-helixtrans-59.1-51.1176.5179.570.9000111.5I28 V30 L105 N131 Y135 F136 S137 L143 L147I28-L133 HydrophobicContact CG2-CB 4.11Å; I28-L133 HydrophobicContact CG2-CD1 3.74Å; V30-L133 HydrophobicContact CG1-CD2 4.08Å; V30-L133 HydrophobicContact CG2-CB 4.39Å; V30-L133 HydrophobicContact CG2-CD1 4.32Å; V30-L133 HydrophobicContact CG2-CD2 3.81Å; V30-L133 HydrophobicContact CG2-CG 4.38Å; L105-L133 HydrophobicContact CD2-CD2 4.07Å; L105-L133 HydrophobicContact CG-CD2 4.02Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.81Å; L133-Y135 VanDerWaalsContact C-N 3.32Å; L133-Y135 PolarHBondContact O-N 2.62Å; L133-F136 PolarHBondContact O-N 2.82Å; L133-S137 VanDerWaalsContact O-CB 3.29Å; L133-S137 WeakPolarHBondContact O-CB 3.46Å; L133-S137 PolarHBondContact O-N 3.25Å; L133-L143 HydrophobicContact CD1-CD2 4.48Å; L133-L147 HydrophobicContact CD1-CD1 4.42Å
134A79.4Confident81.7Confident9 Ų975.4 Ų75.47%0.07436%0.355CS..Hα-helixtrans-59.2-45.317900000111.1M106 N131 S137 S138M106-A134 WeakPolarHBondContact O-CB 3.18Å; N131-A134 PolarHBondContact O-N 3.46Å; N131-A134 WeakPolarHBondContact OD1-CB 3.49Å; A134-S137 PolarHBondContact O-N 3.44Å; A134-S137 PolarHBondContact O-OG 3.31Å; A134-S138 PolarHBondContact O-N 3.33Å
135Y76.5Confident80.5Confident164 Ų16472.6 Ų72.664%0.64336%0.358SS*.Hα-helixtrans-59.5-50.7175.7-177.5-97.6000112.1N131 R132 L133 S137 S138 C139N131-Y135 PolarHBondContact O-N 3.11Å; R132-Y135 PolarHBondContact O-N 2.94Å; L133-Y135 VanDerWaalsContact C-N 3.32Å; L133-Y135 PolarHBondContact O-N 2.62Å; Y135-S137 VanDerWaalsContact C-N 3.27Å; Y135-S137 PolarHBondContact O-N 2.9Å; Y135-S138 PolarHBondContact O-N 3.39Å; Y135-S138 VanDerWaalsContact O-N 3.14Å; Y135-S138 PolarHBondContact O-OG 3.06Å; Y135-C139 PolarHBondContact O-N 3.2Å
136F76.5Confident79.3Confident78 Ų7869.4 Ų69.434%0.34235%0.348SS..Hα-helixtrans-63.8-35.8-178.1-162.7-102.3000112.3I28 R132 L133 S138 C139 V140 L143I28-F136 HydrophobicContact CD1-CD1 3.3Å; I28-F136 HydrophobicContact CD1-CE1 3.56Å; I28-F136 HydrophobicContact CD1-CG 4.02Å; I28-F136 HydrophobicContact CD1-CZ 4.46Å; I28-F136 HydrophobicContact CG1-CD1 4.14Å; I28-F136 HydrophobicContact CG1-CE1 4.4Å; I28-F136 HydrophobicContact CG1-CG 4.44Å; R132-F136 VanDerWaalsContact O-CB 3.32Å; R132-F136 WeakPolarHBondContact O-CB 3.12Å; R132-F136 PolarHBondContact O-N 3.16Å; L133-F136 PolarHBondContact O-N 2.82Å; F136-S138 VanDerWaalsContact C-N 3.26Å; F136-S138 PolarHBondContact O-N 3.05Å; F136-C139 PolarHBondContact O-N 3.25Å; F136-V140 HydrophobicContact CD1-CG2 4.23Å; F136-V140 HydrophobicContact CE1-CB 4.23Å; F136-V140 HydrophobicContact CE1-CG2 3.76Å; F136-V140 HydrophobicContact CE2-CG2 4.29Å; F136-V140 HydrophobicContact CZ-CG2 3.79Å; F136-V140 PolarHBondContact O-N 2.91Å; F136-L143 HydrophobicContact CD1-CD1 3.55Å; F136-L143 HydrophobicContact CD1-CD2 3.92Å; F136-L143 HydrophobicContact CD1-CG 4.33Å; F136-L143 HydrophobicContact CE1-CD1 3.32Å; F136-L143 HydrophobicContact CE1-CD2 4.34Å; F136-L143 HydrophobicContact CE1-CG 4.44Å
137S74.7Confident78.2Confident8 Ų869.2 Ų69.26%0.05635%0.347CS..Hα-helixtrans-62.8-32.5177.382.90000113.1M106 L133 A134 Y135 C139M106-S137 WeakPolarHBondContact CE-OG 3.21Å; L133-S137 VanDerWaalsContact O-CB 3.29Å; L133-S137 WeakPolarHBondContact O-CB 3.46Å; L133-S137 PolarHBondContact O-N 3.25Å; A134-S137 PolarHBondContact O-N 3.44Å; A134-S137 PolarHBondContact O-OG 3.31Å; Y135-S137 VanDerWaalsContact C-N 3.27Å; Y135-S137 PolarHBondContact O-N 2.9Å; S137-C139 VanDerWaalsContact C-N 3.3Å; S137-C139 PolarHBondContact O-N 3.34Å
138S74.3Confident77.1Confident84 Ų8469.4 Ų69.459%0.58735%0.348SS*.Hα-helixtrans-71.2-26.217475.60000112.9A134 Y135 F136A134-S138 PolarHBondContact O-N 3.33Å; Y135-S138 PolarHBondContact O-N 3.39Å; Y135-S138 VanDerWaalsContact O-N 3.14Å; Y135-S138 PolarHBondContact O-OG 3.06Å; F136-S138 VanDerWaalsContact C-N 3.26Å; F136-S138 PolarHBondContact O-N 3.05Å
139C73.8Confident76.1Confident72 Ų7266.4 Ų66.449%0.48634%0.341SS..Hα-helixtrans-88.1-26.5179.6-60.60000113.3Y135 F136 S137Y135-C139 PolarHBondContact O-N 3.2Å; F136-C139 PolarHBondContact O-N 3.25Å; S137-C139 VanDerWaalsContact C-N 3.3Å; S137-C139 PolarHBondContact O-N 3.34Å
140V76Confident75.2Confident51 Ų5166.6 Ų66.631%0.30935%0.345SS..  trans-12989.2-174.7-1710000110F136 F142 L143F136-V140 HydrophobicContact CD1-CG2 4.23Å; F136-V140 HydrophobicContact CE1-CB 4.23Å; F136-V140 HydrophobicContact CE1-CG2 3.76Å; F136-V140 HydrophobicContact CE2-CG2 4.29Å; F136-V140 HydrophobicContact CZ-CG2 3.79Å; F136-V140 PolarHBondContact O-N 2.91Å; V140-F142 PolarHBondContact O-N 3.06Å; V140-L143 HydrophobicContact CB-CD1 3.68Å; V140-L143 HydrophobicContact CG1-CD1 3.62Å; V140-L143 HydrophobicContact CG2-CD1 4.43Å; V140-L143 PolarHBondContact O-N 3.18Å
141P67.4Low74.3Confident107 Ų10769 Ų6970%0.69535%0.354SS*.THydrogen-bonded Turntrans-57.8-25.5-175-2734.9000114.8L143P141-L143 VanDerWaalsContact C-N 3.26Å; P141-L143 PolarHBondContact O-N 3.49Å
142F69.3Low73.6Confident144 Ų14468.1 Ų68.163%0.63235%0.349SS*.THydrogen-bonded Turntrans-70.7-18.6178.1-173.4-108.1000113.3V140 Q144 S145 C146V140-F142 PolarHBondContact O-N 3.06Å; F142-Q144 PolarHBondContact O-N 3.29Å; F142-S145 WeakPolarHBondContact O-CA 3.32Å; F142-S145 VanDerWaalsContact O-CB 3.31Å; F142-S145 WeakPolarHBondContact O-CB 3.32Å; F142-S145 PolarHBondContact O-N 3.05Å; F142-C146 VanDerWaalsContact CD1-SG 3.5Å; F142-C146 WeakPolarHBondContact CE1-SG 3.18Å; F142-C146 PolarHBondContact O-N 3.31Å
143L68.6Low73.3Confident11 Ų1164 Ų646%0.05834%0.339CS..Hα-helixtrans-61.6-34.3179.8-110.798.6000113.3L26 I28 L133 F136 V140 P141 S145 C146 L147L26-L143 HydrophobicContact CD1-CD2 4.39Å; I28-L143 HydrophobicContact CD1-CD2 3.5Å; L133-L143 HydrophobicContact CD1-CD2 4.48Å; F136-L143 HydrophobicContact CD1-CD1 3.55Å; F136-L143 HydrophobicContact CD1-CD2 3.92Å; F136-L143 HydrophobicContact CD1-CG 4.33Å; F136-L143 HydrophobicContact CE1-CD1 3.32Å; F136-L143 HydrophobicContact CE1-CD2 4.34Å; F136-L143 HydrophobicContact CE1-CG 4.44Å; V140-L143 HydrophobicContact CB-CD1 3.68Å; V140-L143 HydrophobicContact CG1-CD1 3.62Å; V140-L143 HydrophobicContact CG2-CD1 4.43Å; V140-L143 PolarHBondContact O-N 3.18Å; P141-L143 VanDerWaalsContact C-N 3.26Å; P141-L143 PolarHBondContact O-N 3.49Å; L143-S145 PolarHBondContact O-N 3.25Å; L143-C146 WeakPolarHBondContact O-CB 3.49Å; L143-C146 PolarHBondContact O-N 3.26Å; L143-L147 PolarHBondContact O-N 3.2Å; L143-L147 VanDerWaalsContact O-N 3.16Å
144Q68.4Low72.7Confident91 Ų9164.5 Ų64.543%0.42534%0.343SS..Hα-helixtrans-62-27.9175.5-167.6178.2-13.100111.7M106 F142 L152M106-Q144 HydrophobicContact CE-CB 3.9Å; M106-Q144 HydrophobicContact CE-CG 4.06Å; M106-Q144 HydrophobicContact SD-CB 4.27Å; M106-Q144 HydrophobicContact SD-CG 4.23Å; F142-Q144 PolarHBondContact O-N 3.29Å; Q144-L152 HydrophobicContact CG-CD1 3.75Å
145S70.4Confident71.8Confident90 Ų9067.4 Ų67.463%0.62937%0.366SS*.Hα-helixtrans-80.8-19.9175.2-57.10000113.1F142 L143F142-S145 WeakPolarHBondContact O-CA 3.32Å; F142-S145 VanDerWaalsContact O-CB 3.31Å; F142-S145 WeakPolarHBondContact O-CB 3.32Å; F142-S145 PolarHBondContact O-N 3.05Å; L143-S145 PolarHBondContact O-N 3.25Å
146C70.9Confident71Confident45 Ų4560.2 Ų60.230%0.30434%0.341SS..Hα-helixtrans-84-22.9175.1-62.90000113F22 F142 L143F22-C146 VanDerWaalsContact CE1-O 3.32Å; F22-C146 WeakPolarHBondContact CE1-O 3.43Å; F142-C146 VanDerWaalsContact CD1-SG 3.5Å; F142-C146 WeakPolarHBondContact CE1-SG 3.18Å; F142-C146 PolarHBondContact O-N 3.31Å; L143-C146 WeakPolarHBondContact O-CB 3.49Å; L143-C146 PolarHBondContact O-N 3.26Å
147L73.9Confident70.1Confident8 Ų861 Ų614%0.04235%0.349CS..SBendtrans-90.8136.2-178.5-66.1175.4000111F22 T23 M106 L133 L143 K149 W151 L152F22-L147 HydrophobicContact CD1-CD2 4.33Å; F22-L147 HydrophobicContact CE1-CD2 4.36Å; T23-L147 HydrophobicContact CG2-CD2 4Å; M106-L147 HydrophobicContact SD-CD1 4.25Å; L133-L147 HydrophobicContact CD1-CD1 4.42Å; L143-L147 PolarHBondContact O-N 3.2Å; L143-L147 VanDerWaalsContact O-N 3.16Å; L147-K149 PolarHBondContact O-N 3.24Å; L147-W151 HydrophobicContact CD2-CE3 4.22Å; L147-W151 HydrophobicContact CD2-CZ3 4.3Å; L147-L152 HydrophobicContact CB-CD2 4.33Å; L147-L152 HydrophobicContact CD1-CD2 4.18Å
148P72.3Confident69.3Low40 Ų4065 Ų6526%0.2637%0.366SS..  trans-54.6134.8170.9-23.933.7000111.1E150 W151P148-E150 VanDerWaalsContact C-OE2 3.31Å; P148-E150 WeakPolarHBondContact CA-OE2 3.44Å; P148-E150 WeakPolarHBondContact CB-OE2 3.23Å; P148-E150 PolarHBondContact O-N 3.18Å; P148-W151 HydrophobicContact CB-CD2 4.18Å; P148-W151 HydrophobicContact CB-CG 4.18Å; P148-W151 HydrophobicContact CG-CD2 3.9Å; P148-W151 HydrophobicContact CG-CE3 4.16Å; P148-W151 HydrophobicContact CG-CG 4.43Å; P148-W151 HydrophobicContact CG-CH2 4.24Å; P148-W151 HydrophobicContact CG-CZ2 3.98Å; P148-W151 HydrophobicContact CG-CZ3 4.32Å; P148-W151 PolarHBondContact O-N 3.21Å
149K70Confident68.5Low154 Ų15464.2 Ų64.267%0.6736%0.361SS*.Hα-helixtrans-62.5-28.3-178.1-72-178.2179.31750111.7L147 W151 L152 T153 A156L147-K149 PolarHBondContact O-N 3.24Å; K149-W151 PolarHBondContact O-N 3.26Å; K149-L152 WeakPolarHBondContact O-CB 3.48Å; K149-L152 PolarHBondContact O-N 2.96Å; K149-T153 PolarHBondContact O-N 2.91Å; K149-A156 HydrophobicContact CB-CB 4.18Å; K149-A156 WeakPolarHBondContact O-CB 3.32Å
150E71.3Confident67.8Low75 Ų7562.2 Ų62.235%0.3535%0.347SS..Hα-helixtrans-60.6-30.1177.2-57.273.4-157.100111.5P148P148-E150 VanDerWaalsContact C-OE2 3.31Å; P148-E150 WeakPolarHBondContact CA-OE2 3.44Å; P148-E150 WeakPolarHBondContact CB-OE2 3.23Å; P148-E150 PolarHBondContact O-N 3.18Å
151W72.2Confident67Low53 Ų5363.2 Ų63.220%0.20135%0.354CS..Hα-helixtrans-83.7-21.8176.7-59.2-3000112.3W18 I19 F22 L105 L147 P148 K149W18-W151 AromaticContact CE3-CZ2 3.97Å; W18-W151 HydrophobicContact CE3-CZ2 3.97Å; W18-W151 AromaticContact CH2-CE2 3.74Å; W18-W151 AromaticContact CH2-CZ2 3.39Å; W18-W151 HydrophobicContact CH2-CZ2 3.39Å; W18-W151 AromaticContact CH2-NE1 3.59Å; W18-W151 HydrophobicContact CZ2-CZ2 4.28Å; W18-W151 HydrophobicContact CZ3-CD2 4.43Å; W18-W151 AromaticContact CZ3-CE2 3.33Å; W18-W151 HydrophobicContact CZ3-CH2 4.21Å; W18-W151 AromaticContact CZ3-CZ2 3.2Å; W18-W151 HydrophobicContact CZ3-CZ2 3.2Å; W18-W151 AromaticContact CZ3-NE1 3.29Å; W18-W151 VanDerWaalsContact CZ3-NE1 3.29Å; I19-W151 HydrophobicContact CB-CZ3 4.48Å; I19-W151 HydrophobicContact CG1-CE3 4.38Å; I19-W151 HydrophobicContact CG1-CZ3 4.49Å; I19-W151 HydrophobicContact CG2-CE3 4.03Å; I19-W151 HydrophobicContact CG2-CZ3 3.88Å; F22-W151 HydrophobicContact CB-CH2 3.76Å; F22-W151 HydrophobicContact CB-CZ3 4.05Å; F22-W151 HydrophobicContact CD1-CH2 4.13Å; F22-W151 AromaticContact CD1-CZ3 3.87Å; F22-W151 HydrophobicContact CD1-CZ3 3.87Å; F22-W151 AromaticContact CG-CH2 3.9Å; F22-W151 HydrophobicContact CG-CH2 3.9Å; F22-W151 HydrophobicContact CG-CZ3 4.09Å; L105-W151 VanDerWaalsContact CB-O 3.31Å; L105-W151 WeakPolarHBondContact CB-O 3.33Å; L105-W151 HydrophobicContact CD2-CB 4.21Å; L105-W151 WeakPolarHBondContact CD2-O 3.5Å; L147-W151 HydrophobicContact CD2-CE3 4.22Å; L147-W151 HydrophobicContact CD2-CZ3 4.3Å; P148-W151 HydrophobicContact CB-CD2 4.18Å; P148-W151 HydrophobicContact CB-CG 4.18Å; P148-W151 HydrophobicContact CG-CD2 3.9Å; P148-W151 HydrophobicContact CG-CE3 4.16Å; P148-W151 HydrophobicContact CG-CG 4.43Å; P148-W151 HydrophobicContact CG-CH2 4.24Å; P148-W151 HydrophobicContact CG-CZ2 3.98Å; P148-W151 HydrophobicContact CG-CZ3 4.32Å; P148-W151 PolarHBondContact O-N 3.21Å; K149-W151 PolarHBondContact O-N 3.26Å
152L75.1Confident66.7Low8 Ų861.1 Ų61.14%0.04234%0.342CS..Hα-helixtrans-81.1-38.1-174.7-63.5178000112.4H104 L105 M106 Q144 L147 K149H104-L152 WeakPolarHBondContact CA-O 3.43Å; L105-L152 HydrophobicContact CB-CD2 4.46Å; L105-L152 PolarHBondContact N-O 2.64Å; L105-L152 VanDerWaalsContact N-O 3.09Å; M106-L152 HydrophobicContact CG-CD2 4.13Å; M106-L152 HydrophobicContact SD-CD2 3.58Å; M106-L152 VanDerWaalsContact SD-CD2 3.58Å; Q144-L152 HydrophobicContact CG-CD1 3.75Å; L147-L152 HydrophobicContact CB-CD2 4.33Å; L147-L152 HydrophobicContact CD1-CD2 4.18Å; K149-L152 WeakPolarHBondContact O-CB 3.48Å; K149-L152 PolarHBondContact O-N 2.96Å
153T77.4Confident66.2Low46 Ų4661.3 Ų61.328%0.28234%0.344SS..  trans-139.6144.5-174.161.20000112.9K149 A155 A156 L157K149-T153 PolarHBondContact O-N 2.91Å; T153-A155 PolarHBondContact O-N 3.22Å; T153-A156 PolarHBondContact O-N 3.32Å; T153-A156 WeakPolarHBondContact OG1-CB 3.37Å; T153-A156 PolarHBondContact OG1-N 3.41Å; T153-L157 PolarHBondContact O-N 3.25Å
154P68.4Low65.7Low17 Ų1767.6 Ų67.611%0.1137%0.373CS..Hα-helixtrans-59.7-32.3174.9-21.430.9000113.2Y103 L157 Q158Y103-P154 WeakPolarHBondContact O-CD 3.32Å; P154-L157 PolarHBondContact O-N 3.36Å; P154-Q158 PolarHBondContact O-N 3.42Å
155A60.9Low65.2Low69 Ų6968.8 Ų68.857%0.5738%0.382SS*.Hα-helixtrans-67.5-36.6-179.500000112.7T153 Q158 S159T153-A155 PolarHBondContact O-N 3.22Å; A155-Q158 PolarHBondContact O-N 2.89Å; A155-S159 PolarHBondContact O-N 3.47Å; A155-S159 VanDerWaalsContact O-N 3.16Å
156A59Low64.4Low14 Ų1471.2 Ų71.212%0.11638%0.383CS..Hα-helixtrans-67.8-40.9177.300000111.6K149 T153 Q158 S159 S160K149-A156 HydrophobicContact CB-CB 4.18Å; K149-A156 WeakPolarHBondContact O-CB 3.32Å; T153-A156 PolarHBondContact O-N 3.32Å; T153-A156 WeakPolarHBondContact OG1-CB 3.37Å; T153-A156 PolarHBondContact OG1-N 3.41Å; A156-Q158 VanDerWaalsContact C-N 3.28Å; A156-Q158 PolarHBondContact O-N 3.12Å; A156-S159 PolarHBondContact O-N 2.7Å; A156-S159 VanDerWaalsContact O-N 3.15Å; A156-S159 PolarHBondContact O-OG 3.36Å; A156-S160 PolarHBondContact O-N 3.25Å; A156-S160 VanDerWaalsContact O-N 3.12Å; A156-S160 PolarHBondContact O-OG 3.44Å
157L57.3Low63.6Low95 Ų9571 Ų7150%0.49739%0.388SS..Hα-helixtrans-59.1-38.7174.2-17368.7000112.1T153 P154 S160 V161T153-L157 PolarHBondContact O-N 3.25Å; P154-L157 PolarHBondContact O-N 3.36Å; L157-S160 PolarHBondContact O-OG 2.84Å; L157-V161 WeakPolarHBondContact O-CB 3.47Å; L157-V161 WeakPolarHBondContact O-CG2 3.37Å; L157-V161 PolarHBondContact O-N 2.85Å
158Q58.4Low62.6Low92 Ų9272.8 Ų72.843%0.4340%0.404SS..Hα-helixtrans-67.7-38.3175.5-73-153.6-29.800113.4P48 P154 A155 A156 V161 S162P48-Q158 VanDerWaalsContact CB-CD 3.5Å; P48-Q158 HydrophobicContact CB-CG 4.45Å; P154-Q158 PolarHBondContact O-N 3.42Å; A155-Q158 PolarHBondContact O-N 2.89Å; A156-Q158 VanDerWaalsContact C-N 3.28Å; A156-Q158 PolarHBondContact O-N 3.12Å; Q158-V161 PolarHBondContact O-N 2.83Å; Q158-S162 VanDerWaalsContact O-CB 3.23Å; Q158-S162 WeakPolarHBondContact O-CB 3.22Å; Q158-S162 PolarHBondContact O-N 3.15Å; Q158-S162 PolarHBondContact O-OG 3.16Å
159S57.3Low61.7Low67 Ų6773.8 Ų73.847%0.46941%0.41SS..Hα-helixtrans-64.3-41.317963.20000111.6A155 A156 Q163A155-S159 PolarHBondContact O-N 3.47Å; A155-S159 VanDerWaalsContact O-N 3.16Å; A156-S159 PolarHBondContact O-N 2.7Å; A156-S159 VanDerWaalsContact O-N 3.15Å; A156-S159 PolarHBondContact O-OG 3.36Å; S159-Q163 WeakPolarHBondContact O-CB 3.39Å; S159-Q163 PolarHBondContact O-N 3Å
160S58.3Low60.8Low29 Ų2968 Ų6820%0.20339%0.393CS..Hα-helixtrans-67.4-45.3175.457.10000111.7A156 L157 S162 Q163 E164A156-S160 PolarHBondContact O-N 3.25Å; A156-S160 VanDerWaalsContact O-N 3.12Å; A156-S160 PolarHBondContact O-OG 3.44Å; L157-S160 PolarHBondContact O-OG 2.84Å; S160-S162 PolarHBondContact O-N 3.05Å; S160-Q163 PolarHBondContact O-N 3.45Å; S160-E164 PolarHBondContact O-N 3.18Å
161V60.1Low60Low73 Ų7371.3 Ų71.344%0.44241%0.409SS..Hα-helixtrans-62.9-41.8177.9171.70000111.4L157 Q158 Q163 E164 L165L157-V161 WeakPolarHBondContact O-CB 3.47Å; L157-V161 WeakPolarHBondContact O-CG2 3.37Å; L157-V161 PolarHBondContact O-N 2.85Å; Q158-V161 PolarHBondContact O-N 2.83Å; V161-Q163 VanDerWaalsContact C-N 3.29Å; V161-Q163 PolarHBondContact O-N 3.45Å; V161-E164 PolarHBondContact O-N 2.93Å; V161-L165 WeakPolarHBondContact O-CB 3.23Å; V161-L165 PolarHBondContact O-N 2.85Å
162S61.7Low59Low63 Ų6374.6 Ų74.644%0.44143%0.43SS..Hα-helixtrans-67.8-31.3177.6-61.60000112.3Q158 S160 H166Q158-S162 VanDerWaalsContact O-CB 3.23Å; Q158-S162 WeakPolarHBondContact O-CB 3.22Å; Q158-S162 PolarHBondContact O-N 3.15Å; Q158-S162 PolarHBondContact O-OG 3.16Å; S160-S162 PolarHBondContact O-N 3.05Å; S162-H166 WeakPolarHBondContact O-CB 3.18Å; S162-H166 PolarHBondContact O-N 3.42Å; S162-H166 PolarHBondContact O-ND1 2.87Å
163Q57.7Low58Low147 Ų14780.9 Ų80.969%0.68746%0.459SS*.Hα-helixtrans-75.8-37.1176.7-165171.38.600111.8S159 S160 V161 G167S159-Q163 WeakPolarHBondContact O-CB 3.39Å; S159-Q163 PolarHBondContact O-N 3Å; S160-Q163 PolarHBondContact O-N 3.45Å; V161-Q163 VanDerWaalsContact C-N 3.29Å; V161-Q163 PolarHBondContact O-N 3.45Å; Q163-G167 PolarHBondContact O-N 2.98Å
164E59.3Low57Low143 Ų14385.9 Ų85.967%0.66848%0.479SS*.Hα-helixtrans-65.9-41.7168.6-75.7-175.7156.600111.5S160 V161 G167 A168S160-E164 PolarHBondContact O-N 3.18Å; V161-E164 PolarHBondContact O-N 2.93Å; E164-G167 PolarHBondContact O-N 3.27Å; E164-A168 WeakPolarHBondContact O-CB 3.46Å; E164-A168 PolarHBondContact O-N 3.09Å
165L56.5Low56.4Low117 Ų11787.9 Ų87.961%0.61350%0.497SS*.Hα-helixtrans-63.5-42.4175.8-143.683.6000111.2V161 A168 T169V161-L165 WeakPolarHBondContact O-CB 3.23Å; V161-L165 PolarHBondContact O-N 2.85Å; L165-A168 PolarHBondContact O-N 3.48Å; L165-T169 VanDerWaalsContact O-CG2 3.31Å; L165-T169 WeakPolarHBondContact O-CG2 3.31Å; L165-T169 PolarHBondContact O-N 3.47Å; L165-T169 PolarHBondContact O-OG1 2.85Å; L165-T169 VanDerWaalsContact O-OG1 3.05Å
166H55.1Low56.2Low141 Ų14191.6 Ų91.665%0.65350%0.502SS*.Hα-helixtrans-67.8-34.6174.8-87.877.2000113S162 T169 G170S162-H166 WeakPolarHBondContact O-CB 3.18Å; S162-H166 PolarHBondContact O-N 3.42Å; S162-H166 PolarHBondContact O-ND1 2.87Å; H166-T169 VanDerWaalsContact CA-OG1 3.26Å; H166-T169 WeakPolarHBondContact CA-OG1 3.36Å; H166-T169 PolarHBondContact O-OG1 3.29Å; H166-G170 PolarHBondContact O-N 3Å
167G52.6Low56Low39 Ų3996.3 Ų96.340%0.40253%0.526SS..Hα-helixtrans-65.6-46.1173.700000111.7Q163 E164 G170 E171Q163-G167 PolarHBondContact O-N 2.98Å; E164-G167 PolarHBondContact O-N 3.27Å; G167-G170 PolarHBondContact O-N 2.88Å; G167-E171 WeakPolarHBondContact O-CG 3.43Å; G167-E171 PolarHBondContact O-N 3.05Å
168A53.9Low56Low46 Ų4694.5 Ų94.538%0.3852%0.524SS..Hα-helixtrans-67.6-37.1176.800000112.5E164 L165 E171 L172E164-A168 WeakPolarHBondContact O-CB 3.46Å; E164-A168 PolarHBondContact O-N 3.09Å; L165-A168 PolarHBondContact O-N 3.48Å; A168-E171 PolarHBondContact O-N 2.94Å; A168-L172 VanDerWaalsContact O-CG 3.26Å; A168-L172 WeakPolarHBondContact O-CG 3.26Å; A168-L172 PolarHBondContact O-N 3.04Å; A168-L172 VanDerWaalsContact O-N 3.09Å
169T53.5Low56Low62 Ų6292.8 Ų92.838%0.3853%0.526SS..Hα-helixtrans-69.5-34.6173.253.30000112L165 H166 L172 E173L165-T169 VanDerWaalsContact O-CG2 3.31Å; L165-T169 WeakPolarHBondContact O-CG2 3.31Å; L165-T169 PolarHBondContact O-N 3.47Å; L165-T169 PolarHBondContact O-OG1 2.85Å; L165-T169 VanDerWaalsContact O-OG1 3.05Å; H166-T169 VanDerWaalsContact CA-OG1 3.26Å; H166-T169 WeakPolarHBondContact CA-OG1 3.36Å; H166-T169 PolarHBondContact O-OG1 3.29Å; T169-L172 PolarHBondContact O-N 3.46Å; T169-E173 WeakPolarHBondContact O-CB 3.26Å; T169-E173 WeakPolarHBondContact O-CG 3.28Å; T169-E173 PolarHBondContact O-N 3.45Å
170G51.2Low55.9Low31 Ų3191.9 Ų91.932%0.3252%0.522SS..Hα-helixtrans-64.9-39.9173.900000112.6H166 G167 L172 E173 E174H166-G170 PolarHBondContact O-N 3Å; G167-G170 PolarHBondContact O-N 2.88Å; G170-L172 VanDerWaalsContact C-N 3.35Å; G170-E173 PolarHBondContact O-N 3.33Å; G170-E174 VanDerWaalsContact O-CB 3.28Å; G170-E174 WeakPolarHBondContact O-CB 3.28Å; G170-E174 PolarHBondContact O-N 3.09Å
171E53.1Low55.9Low145 Ų14594.3 Ų94.368%0.67854%0.536SS*.Hα-helixtrans-68-32.9174.6-71.2-176.9139.300112.6G167 A168 A175G167-E171 WeakPolarHBondContact O-CG 3.43Å; G167-E171 PolarHBondContact O-N 3.05Å; A168-E171 PolarHBondContact O-N 2.94Å; E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.39Å; E171-A175 PolarHBondContact O-N 2.89Å; E171-A175 VanDerWaalsContact O-N 3.09Å
172L52.6Low55.7Low122 Ų12294 Ų9464%0.63954%0.541SS*.Hα-helixtrans-73.5-40.7174.2-69.2170.4000112.2A168 T169 G170 A175 E176A168-L172 VanDerWaalsContact O-CG 3.26Å; A168-L172 WeakPolarHBondContact O-CG 3.26Å; A168-L172 PolarHBondContact O-N 3.04Å; A168-L172 VanDerWaalsContact O-N 3.09Å; T169-L172 PolarHBondContact O-N 3.46Å; G170-L172 VanDerWaalsContact C-N 3.35Å; L172-A175 PolarHBondContact O-N 2.97Å; L172-E176 WeakPolarHBondContact O-CB 3.41Å; L172-E176 PolarHBondContact O-N 2.85Å
173E53.9Low55.4Low140 Ų14095 Ų9565%0.65455%0.548SS*.Hα-helixtrans-66.7-40.3175-75.8-176158.500111.4T169 G170 E176 D177T169-E173 WeakPolarHBondContact O-CB 3.26Å; T169-E173 WeakPolarHBondContact O-CG 3.28Å; T169-E173 PolarHBondContact O-N 3.45Å; G170-E173 PolarHBondContact O-N 3.33Å; E173-E176 PolarHBondContact O-N 3.29Å; E173-D177 WeakPolarHBondContact O-CB 3.37Å; E173-D177 PolarHBondContact O-N 3.08Å
174E55.5Low55.1Low151 Ų15194.6 Ų94.671%0.70655%0.55SS**Hα-helixtrans-68.5-34.6176.8-164.8173.3168.100112G170 A178G170-E174 VanDerWaalsContact O-CB 3.28Å; G170-E174 WeakPolarHBondContact O-CB 3.28Å; G170-E174 PolarHBondContact O-N 3.09Å; E174-A178 VanDerWaalsContact O-CB 3.25Å; E174-A178 WeakPolarHBondContact O-CB 3.42Å; E174-A178 PolarHBondContact O-N 2.95Å
175A56.1Low54.8Low59 Ų5992 Ų9249%0.48855%0.553SS.*Hα-helixtrans-69.9-35.6172.500000112.9E171 L172 A179E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.39Å; E171-A175 PolarHBondContact O-N 2.89Å; E171-A175 VanDerWaalsContact O-N 3.09Å; L172-A175 PolarHBondContact O-N 2.97Å; A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 3.18Å
176E56.5Low54.4Low147 Ų14790.9 Ų90.969%0.68756%0.555SS**Hα-helixtrans-71.6-40177.4-159175.5166.700111.5L172 E173 A179 A180L172-E176 WeakPolarHBondContact O-CB 3.41Å; L172-E176 PolarHBondContact O-N 2.85Å; E173-E176 PolarHBondContact O-N 3.29Å; E176-A179 PolarHBondContact O-N 3.3Å; E176-A180 WeakPolarHBondContact O-CB 3.25Å; E176-A180 PolarHBondContact O-N 3.07Å
177D55.7Low54Low114 Ų11492.2 Ų92.261%0.6156%0.564SS**Hα-helixtrans-70.3-35.2176.5-133.5-6.7000111.9E173 A180 T181E173-D177 WeakPolarHBondContact O-CB 3.37Å; E173-D177 PolarHBondContact O-N 3.08Å; D177-A180 PolarHBondContact O-N 3.11Å; D177-T181 WeakPolarHBondContact O-CB 3.45Å; D177-T181 WeakPolarHBondContact O-CG2 3.46Å; D177-T181 PolarHBondContact O-N 3.04Å; D177-T181 PolarHBondContact O-OG1 3.39Å
178A57.8Low53.5Low56 Ų5695.8 Ų95.846%0.46358%0.583SS.*Hα-helixtrans-65.3-37171.100000112.7E174 T181 A182E174-A178 VanDerWaalsContact O-CB 3.25Å; E174-A178 WeakPolarHBondContact O-CB 3.42Å; E174-A178 PolarHBondContact O-N 2.95Å; A178-T181 WeakPolarHBondContact CA-OG1 3.47Å; A178-T181 PolarHBondContact O-OG1 2.92Å; A178-T181 VanDerWaalsContact O-OG1 3.08Å; A178-A182 WeakPolarHBondContact O-CB 3.41Å; A178-A182 PolarHBondContact O-N 3.3Å; A178-A182 VanDerWaalsContact O-N 3.11Å
179A57.3Low53Low57 Ų5799.7 Ų99.747%0.47160%0.604SS.*Hα-helixtrans-72.5-35.8175.600000112.7A175 E176 S183A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 3.18Å; E176-A179 PolarHBondContact O-N 3.3Å; A179-S183 PolarHBondContact O-N 2.74Å; A179-S183 PolarHBondContact O-OG 3.44Å
180A56.1Low52.2Low47 Ų47102.7 Ų102.739%0.38863%0.628SS.*Hα-helixtrans-68.4-42.3175.800000112.1E176 D177 S183 L184E176-A180 WeakPolarHBondContact O-CB 3.25Å; E176-A180 PolarHBondContact O-N 3.07Å; D177-A180 PolarHBondContact O-N 3.11Å; A180-S183 PolarHBondContact O-N 3.26Å; A180-L184 PolarHBondContact O-N 3.32Å
181T57.3Low51.6Low80 Ų80106.1 Ų106.149%0.49165%0.653SS.*Hα-helixtrans-67.9-35.8175.845.50000112.8D177 A178 S183 L184 A185D177-T181 WeakPolarHBondContact O-CB 3.45Å; D177-T181 WeakPolarHBondContact O-CG2 3.46Å; D177-T181 PolarHBondContact O-N 3.04Å; D177-T181 PolarHBondContact O-OG1 3.39Å; A178-T181 WeakPolarHBondContact CA-OG1 3.47Å; A178-T181 PolarHBondContact O-OG1 2.92Å; A178-T181 VanDerWaalsContact O-OG1 3.08Å; T181-S183 VanDerWaalsContact C-N 3.34Å; T181-S183 PolarHBondContact O-N 3.48Å; T181-L184 PolarHBondContact O-N 3.36Å; T181-A185 PolarHBondContact O-N 2.96Å
182A56.6Low51.2Low67 Ų67104.8 Ų104.855%0.55466%0.659SS**Hα-helixtrans-64.7-3517300000113.1A178A178-A182 WeakPolarHBondContact O-CB 3.41Å; A178-A182 PolarHBondContact O-N 3.3Å; A178-A182 VanDerWaalsContact O-N 3.11Å
183S54Low50.4Low83 Ų83104.7 Ų104.758%0.5867%0.669SS**Hα-helixtrans-69.2-35.7176.4-71.30000112.9A179 A180 T181 S186A179-S183 PolarHBondContact O-N 2.74Å; A179-S183 PolarHBondContact O-OG 3.44Å; A180-S183 PolarHBondContact O-N 3.26Å; T181-S183 VanDerWaalsContact C-N 3.34Å; T181-S183 PolarHBondContact O-N 3.48Å; S183-S186 PolarHBondContact O-N 2.78Å; S183-S186 PolarHBondContact O-OG 3.48Å
184L53.2Low49.9Very low139 Ų139103.6 Ų103.673%0.72868%0.677SS**Hα-helixtrans-72.7-26179.8-72.9165.1000113.6A180 T181 S186A180-L184 PolarHBondContact O-N 3.32Å; T181-L184 PolarHBondContact O-N 3.36Å; L184-S186 PolarHBondContact O-N 3.26Å
185A51.8Low49.5Very low89 Ų89102.3 Ų102.374%0.73668%0.681SS**THydrogen-bonded Turntrans-73.2-6.4178.100000114.2T181T181-A185 PolarHBondContact O-N 2.96Å
186S47.8Very low49.1Very low94 Ų94105.4 Ų105.466%0.65770%0.697SS**THydrogen-bonded Turntrans-92.7-1.9-176.2700000115S183 L184S183-S186 PolarHBondContact O-N 2.78Å; S183-S186 PolarHBondContact O-OG 3.48Å; L184-S186 PolarHBondContact O-N 3.26Å
187M46.5Very low48.5Very low169 Ų169103.8 Ų103.883%0.83370%0.702SS**  trans-102.589.6179.2-58.5-152.586.200112
188S43Very low47.6Very low114 Ų114104.2 Ų104.280%0.79771%0.713SS**PPolyproline II helixtrans-81.1140.1168.5-66.50000111.5
189P42.8Very low46.8Very low127 Ų127109.5 Ų109.583%0.82573%0.733SS**PPolyproline II helixtrans-89.4123.4176.232.3-28.1000111.3
190S37.1Very low46.9Very low126 Ų126111.9 Ų111.988%0.88174%0.744SS**PPolyproline II helixtrans-88.9118169.755.70000110.7
191A38.4Very low46.3Very low102 Ų102121.7 Ų121.784%0.84377%0.771SS**PPolyproline II helixtrans-83.1154-17900000113.9
192S45.2Very low45.5Very low117 Ų117126.5 Ų126.582%0.81879%0.787SS**PPolyproline II helixtrans-70158.8-173.554.80000117.6
193S35.4Very low44.6Very low121 Ų121128.6 Ų128.685%0.84680%0.797SS**  trans-160.7122.5142.460.20000113.5
194S43.2Very low44.2Very low116 Ų116135.9 Ų135.981%0.81181%0.812SS**  trans-94.4164.3164.3-46.80000110.4
195P47.2Very low44.5Very low124 Ų124134.1 Ų134.181%0.80581%0.809SS**  -152.6-159.8110.544.3-24.8000113.4
196P49Very low44.3Very low124 Ų124138.9 Ų138.981%0.80582%0.816SS**  -121.1-176.1-106.832.5-8.6000116.3
197S44.3Very low44.6Very low114 Ų114139.1 Ų139.180%0.79782%0.815SS**  trans-62.3151.9-167.953.50000121.1
198S36.5Very low44.5Very low122 Ų122142.3 Ų142.385%0.85382%0.818SS**  trans-159.1134.3143.755.40000113.3
199L40.5Very low44.8Very low167 Ų167152.1 Ų152.187%0.87484%0.837SS**  trans-75.9-165.5-177.1-71.7152.2000114.1
200P59.7Low44.9Very low108 Ų108153.4 Ų153.470%0.70184%0.838SS**  -128173.2-78.239.4-22.4000112.3
201R43.2Very low45.3Very low252 Ų252154.8 Ų154.895%0.95184%0.836SS**  trans-164134152.2-111.5163.8-167.6-117.72.7114.2
202H40.9Very low45.7Very low181 Ų181157.8 Ų157.884%0.83884%0.835SS**  trans-46.1160.6164-68.1-38000113
203C36.3Very low45.7Very low112 Ų112160.2 Ų160.276%0.75784%0.836SS**  cis-175131.347.9-142.50000111
204R47Very low46.4Very low235 Ų235162.6 Ų162.689%0.88784%0.836SS**  trans57.5165.3132.7-95.5-160.6173.7-179.11122.4
205P57.8Low46.6Very low103 Ų103165.7 Ų165.767%0.66984%0.837SS**  trans-117.7-178.8-130.943.2-29.4000113.3
206Q49.3Very low46.5Very low188 Ų188168.7 Ų168.788%0.87984%0.84SS**  trans177.9166.6131-98.3-157.511.100113.1
207P54.2Low46.3Very low99 Ų99172.2 Ų172.264%0.64384%0.842SS**  trans-123.5-179.1-143.445.1-32.7000115.5
208R44.6Very low46.5Very low236 Ų236177 Ų17789%0.89185%0.846SS**  trans58.7117.8150.2-78.1-178.5171.9-164.8-2.3118.6
209R48Very low47.4Very low321 Ų321182 Ų182100%1.21185%0.845SS**  -159.9096-102.9179.7-177.6-130.71.8110.3

Retrieved 209 of 209 residues in 235.1 ms (Link to these results)

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