G4LZZ6_SCHMA Loading...

Ubiquitin conjugating enzyme E2, putative

AlphaFold DB , UniProt , Accession G4LZZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 149 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
1M85.5Confident94.6Very high172 Ų17279.1 Ų79.185%0.84737%0.367SS*.  0-49.60-164.9170.9-177.400111.4L3 R4 R5 F62M1-L3 PolarHBondContact O-N 3.38Å; M1-R4 PolarHBondContact O-N 2.85Å; M1-R5 PolarHBondContact O-N 3.11Å; M1-R5 VanDerWaalsContact O-N 3.12Å; M1-F62 HydrophobicContact SD-CE2 4.13Å; M1-F62 HydrophobicContact SD-CZ 4.31Å
2A92.9Very high94.5Very high7 Ų778.1 Ų78.16%0.05837%0.366CS..Hα-helixtrans-47.1-54.5176.400000113.8R4 R5 I6 F31 T58 Y60A2-R4 PolarHBondContact O-N 2.78Å; A2-R5 WeakPolarHBondContact O-CA 3.44Å; A2-R5 WeakPolarHBondContact O-CB 3.49Å; A2-R5 PolarHBondContact O-N 3.19Å; A2-I6 VanDerWaalsContact O-CG1 3.32Å; A2-I6 WeakPolarHBondContact O-CG1 3.49Å; A2-I6 PolarHBondContact O-N 3.36Å; A2-F31 HydrophobicContact CB-CE1 3.88Å; A2-F31 HydrophobicContact CB-CZ 4.06Å; A2-T58 WeakPolarHBondContact CB-O 3.29Å; A2-Y60 WeakPolarHBondContact CA-O 3.48Å; A2-Y60 VanDerWaalsContact CB-O 3.23Å; A2-Y60 WeakPolarHBondContact CB-O 3.33Å
3L94.4Very high94.4Very high86 Ų8673.1 Ų73.145%0.4534%0.343SS..Hα-helixtrans-54.6-47.5179.8-174.263.3000113M1 R5 I6 S7 L30 F31M1-L3 PolarHBondContact O-N 3.38Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.32Å; L3-I6 PolarHBondContact O-N 3.31Å; L3-S7 WeakPolarHBondContact O-CB 3.42Å; L3-S7 PolarHBondContact O-N 2.92Å; L3-S7 PolarHBondContact O-OG 2.85Å; L3-L30 HydrophobicContact CD1-CB 4.01Å; L3-L30 HydrophobicContact CD1-CD1 3.53Å; L3-L30 HydrophobicContact CD1-CG 4.42Å; L3-F31 HydrophobicContact CD1-CE2 4.24Å
4R95.7Very high94.1Very high217 Ų21774.3 Ų74.382%0.81936%0.364SS*.Hα-helixtrans-60-38.9177.4-178.6178.7171.8-177.8-2111.8M1 A2 K8M1-R4 PolarHBondContact O-N 2.85Å; A2-R4 PolarHBondContact O-N 2.78Å; R4-K8 WeakPolarHBondContact O-CB 3.24Å; R4-K8 PolarHBondContact O-N 2.93Å; R4-K8 VanDerWaalsContact O-N 3.13Å
5R96.4Very high93.9Very high55 Ų5576.9 Ų76.921%0.20839%0.386CS..Hα-helixtrans-68.1-47.9177.1176.162.1-176-89.6-17.4111.3M1 A2 L3 K8 E9 Y60 P61 P95 L97M1-R5 PolarHBondContact O-N 3.11Å; M1-R5 VanDerWaalsContact O-N 3.12Å; A2-R5 WeakPolarHBondContact O-CA 3.44Å; A2-R5 WeakPolarHBondContact O-CB 3.49Å; A2-R5 PolarHBondContact O-N 3.19Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.32Å; R5-K8 PolarHBondContact O-N 2.82Å; R5-E9 IonicContact CZ-OE1 2.78Å; R5-E9 IonicContact NE-OE1 2.73Å; R5-E9 PolarHBondContact NE-OE1 2.68Å; R5-E9 IonicContact NH2-OE1 3.13Å; R5-E9 PolarHBondContact NH2-OE1 2.84Å; R5-E9 PolarHBondContact O-N 3.38Å; R5-Y60 HydrophobicContact CG-CD1 3.98Å; R5-Y60 HydrophobicContact CG-CE1 3.66Å; R5-P61 HydrophobicContact CG-CB 4.33Å; R5-P61 HydrophobicContact CG-CG 4.14Å; R5-P95 PolarHBondContact NH1-O 3.03Å; R5-P95 PolarHBondContact NH2-O 3.33Å; R5-L97 PolarHBondContact NH2-O 3.27Å
6I96.8Very high93.6Very high0 Ų079.9 Ų79.90%040%0.403CS..Hα-helixtrans-60.2-48.3178.4-68.3168.9000110.7A2 L3 K8 E9 L10 L30 F31 W33 F56 Y60A2-I6 VanDerWaalsContact O-CG1 3.32Å; A2-I6 WeakPolarHBondContact O-CG1 3.49Å; A2-I6 PolarHBondContact O-N 3.36Å; L3-I6 PolarHBondContact O-N 3.31Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 2.89Å; I6-E9 PolarHBondContact O-N 2.78Å; I6-L10 PolarHBondContact O-N 2.74Å; I6-L30 HydrophobicContact CG2-CB 4.43Å; I6-L30 VanDerWaalsContact CG2-O 3.24Å; I6-L30 WeakPolarHBondContact CG2-O 3.37Å; I6-F31 HydrophobicContact CD1-CD1 3.76Å; I6-F31 HydrophobicContact CD1-CE1 3.7Å; I6-F31 HydrophobicContact CD1-CG 4.23Å; I6-F31 HydrophobicContact CD1-CZ 4.13Å; I6-W33 HydrophobicContact CG2-CH2 4.5Å; I6-W33 HydrophobicContact CG2-CZ2 3.52Å; I6-F56 HydrophobicContact CD1-CB 3.7Å; I6-F56 HydrophobicContact CD1-CD1 4.01Å; I6-F56 HydrophobicContact CD1-CD2 4.23Å; I6-F56 HydrophobicContact CD1-CG 3.72Å; I6-F56 HydrophobicContact CG1-CD1 3.88Å; I6-F56 HydrophobicContact CG1-CE1 4.17Å; I6-F56 HydrophobicContact CG1-CG 4.08Å; I6-Y60 HydrophobicContact CD1-CD1 4.37Å; I6-Y60 HydrophobicContact CG1-CD1 3.77Å; I6-Y60 HydrophobicContact CG1-CE1 4.15Å
7S95.5Very high93.1Very high48 Ų4879.7 Ų79.734%0.33641%0.409SS..Hα-helixtrans-61.7-38.1177.7-600000112.3L3 L10 Q11L3-S7 WeakPolarHBondContact O-CB 3.42Å; L3-S7 PolarHBondContact O-N 2.92Å; L3-S7 PolarHBondContact O-OG 2.85Å; S7-L10 PolarHBondContact O-N 2.84Å; S7-Q11 PolarHBondContact O-N 2.81Å; S7-Q11 VanDerWaalsContact O-N 3.08Å
8K96.1Very high92.6Very high110 Ų11075.9 Ų75.948%0.47839%0.39SS..Hα-helixtrans-63.2-47.3173.9173.9166171.741.80111.4R4 R5 I6 L10 Q11 D12R4-K8 WeakPolarHBondContact O-CB 3.24Å; R4-K8 PolarHBondContact O-N 2.93Å; R4-K8 VanDerWaalsContact O-N 3.13Å; R5-K8 PolarHBondContact O-N 2.82Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 2.89Å; K8-L10 VanDerWaalsContact C-N 3.3Å; K8-L10 PolarHBondContact O-N 2.97Å; K8-Q11 PolarHBondContact O-N 2.78Å; K8-D12 WeakPolarHBondContact CE-OD2 3.13Å; K8-D12 WeakPolarHBondContact CG-OD2 3.16Å; K8-D12 VanDerWaalsContact NZ-CG 3.3Å; K8-D12 IonicContact NZ-OD1 3.37Å; K8-D12 PolarHBondContact NZ-OD1 2.92Å; K8-D12 IonicContact NZ-OD2 2.94Å; K8-D12 PolarHBondContact NZ-OD2 2.82Å; K8-D12 PolarHBondContact O-N 2.86Å
9E96.2Very high92.3Very high5 Ų577.8 Ų77.82%0.02341%0.406CS..Hα-helixtrans-65.3-33.9178.9-72.1-165.3-144.700112.9R5 I6 D12 L13 W33 Y60 T98 I99R5-E9 IonicContact CZ-OE1 2.78Å; R5-E9 IonicContact NE-OE1 2.73Å; R5-E9 PolarHBondContact NE-OE1 2.68Å; R5-E9 IonicContact NH2-OE1 3.13Å; R5-E9 PolarHBondContact NH2-OE1 2.84Å; R5-E9 PolarHBondContact O-N 3.38Å; I6-E9 PolarHBondContact O-N 2.78Å; E9-D12 PolarHBondContact O-N 3.03Å; E9-L13 WeakPolarHBondContact O-CB 3.23Å; E9-L13 WeakPolarHBondContact O-CG 3.41Å; E9-L13 PolarHBondContact O-N 3.27Å; E9-W33 HydrophobicContact CB-CH2 4.24Å; E9-Y60 PolarHBondContact OE1-OH 2.87Å; E9-T98 HydrophobicContact CG-CG2 4.48Å; E9-T98 VanDerWaalsContact OE2-CA 3.23Å; E9-T98 WeakPolarHBondContact OE2-CA 3.43Å; E9-T98 VanDerWaalsContact OE2-CB 3.3Å; E9-T98 WeakPolarHBondContact OE2-CB 3.34Å; E9-I99 PolarHBondContact OE2-N 2.88Å
10L95.6Very high92.1Very high44 Ų4478.5 Ų78.523%0.2341%0.407CS..Hα-helixtrans-62.9-44.4173.8-175.958.4000111.2I6 S7 K8 L13 S14 P25 L30 W33I6-L10 PolarHBondContact O-N 2.74Å; S7-L10 PolarHBondContact O-N 2.84Å; K8-L10 VanDerWaalsContact C-N 3.3Å; K8-L10 PolarHBondContact O-N 2.97Å; L10-L13 PolarHBondContact O-N 3.01Å; L10-S14 PolarHBondContact O-N 2.91Å; L10-P25 HydrophobicContact CD2-CG 4.12Å; L10-L30 HydrophobicContact CD2-CD2 4.1Å; L10-W33 HydrophobicContact CB-CH2 3.82Å; L10-W33 HydrophobicContact CB-CZ2 3.69Å; L10-W33 HydrophobicContact CD1-CH2 4.23Å; L10-W33 HydrophobicContact CD1-CZ2 4.11Å; L10-W33 HydrophobicContact CG-CZ2 4.34Å
11Q95.3Very high92.1Very high126 Ų12675.2 Ų75.259%0.58939%0.39SS*.Hα-helixtrans-62.6-47.1175-175.41805.400110.9S7 K8 L13 S14 V15S7-Q11 PolarHBondContact O-N 2.81Å; S7-Q11 VanDerWaalsContact O-N 3.08Å; K8-Q11 PolarHBondContact O-N 2.78Å; Q11-L13 VanDerWaalsContact C-N 3.32Å; Q11-L13 PolarHBondContact O-N 3.16Å; Q11-S14 PolarHBondContact O-N 2.9Å; Q11-S14 VanDerWaalsContact O-N 3.1Å; Q11-S14 PolarHBondContact O-OG 3.3Å; Q11-V15 WeakPolarHBondContact O-CG2 3.47Å; Q11-V15 PolarHBondContact O-N 3.09Å; Q11-V15 VanDerWaalsContact O-N 3.09Å
12D94Very high92.5Very high67 Ų6769.9 Ų69.936%0.35837%0.37SS..Hα-helixtrans-60.2-42179.5-64.4-20.2000110.7K8 E9 S14 V15 D16K8-D12 WeakPolarHBondContact CE-OD2 3.13Å; K8-D12 WeakPolarHBondContact CG-OD2 3.16Å; K8-D12 VanDerWaalsContact NZ-CG 3.3Å; K8-D12 IonicContact NZ-OD1 3.37Å; K8-D12 PolarHBondContact NZ-OD1 2.92Å; K8-D12 IonicContact NZ-OD2 2.94Å; K8-D12 PolarHBondContact NZ-OD2 2.82Å; K8-D12 PolarHBondContact O-N 2.86Å; E9-D12 PolarHBondContact O-N 3.03Å; D12-S14 VanDerWaalsContact C-N 3.34Å; D12-S14 PolarHBondContact O-N 3.5Å; D12-V15 PolarHBondContact O-N 3.44Å; D12-D16 PolarHBondContact O-N 3.35Å
13L93.1Very high92.7Very high13 Ų1370.6 Ų70.67%0.06838%0.376CS..Hα-helixtrans-63.9-33.5174.1-78.4168.4000113.9E9 L10 Q11 V15 P17 P18 A23 W33 I99E9-L13 WeakPolarHBondContact O-CB 3.23Å; E9-L13 WeakPolarHBondContact O-CG 3.41Å; E9-L13 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 3.01Å; Q11-L13 VanDerWaalsContact C-N 3.32Å; Q11-L13 PolarHBondContact O-N 3.16Å; L13-V15 VanDerWaalsContact C-N 3.34Å; L13-P17 WeakPolarHBondContact O-CA 3.36Å; L13-P18 VanDerWaalsContact CD2-CD 3.42Å; L13-P18 HydrophobicContact CD2-CG 3.93Å; L13-A23 HydrophobicContact CD1-CB 4.15Å; L13-W33 HydrophobicContact CD1-CE3 4.29Å; L13-W33 HydrophobicContact CD1-CH2 4.06Å; L13-W33 HydrophobicContact CD1-CZ3 3.4Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.4Å; L13-I99 HydrophobicContact CD1-CB 4.45Å; L13-I99 HydrophobicContact CD1-CG2 4.24Å
14S90.2Very high92.7Very high90 Ų9067.4 Ų67.463%0.62936%0.364SS*.Hα-helixtrans-73.6-28.1177.8720000112.9L10 Q11 D12L10-S14 PolarHBondContact O-N 2.91Å; Q11-S14 PolarHBondContact O-N 2.9Å; Q11-S14 VanDerWaalsContact O-N 3.1Å; Q11-S14 PolarHBondContact O-OG 3.3Å; D12-S14 VanDerWaalsContact C-N 3.34Å; D12-S14 PolarHBondContact O-N 3.5Å
15V90.9Very high92.8Very high114 Ų11459.3 Ų59.369%0.69134%0.34SS*.Hα-helixtrans-88.3-40-179.6173.50000111.3Q11 D12 L13Q11-V15 WeakPolarHBondContact O-CG2 3.47Å; Q11-V15 PolarHBondContact O-N 3.09Å; Q11-V15 VanDerWaalsContact O-N 3.09Å; D12-V15 PolarHBondContact O-N 3.44Å; L13-V15 VanDerWaalsContact C-N 3.34Å
16D88.7Confident92.7Very high125 Ų12558.9 Ų58.967%0.66834%0.341SS*.SBendtrans-136.977.2-176.5-17228.6000110D12D12-D16 PolarHBondContact O-N 3.35Å
17P85.2Confident92.4Very high76 Ų7667 Ų6749%0.49438%0.379SS..PPolyproline II helixtrans-68.4135.2-179.627.1-33.2000110.6L13L13-P17 WeakPolarHBondContact O-CA 3.36Å
18P85Confident92.1Very high11 Ų1172.6 Ų72.67%0.07141%0.405CS..PPolyproline II helixtrans-58.8141.5174.716.7-24.9000111L13 Q20 C21 L104L13-P18 VanDerWaalsContact CD2-CD 3.42Å; L13-P18 HydrophobicContact CD2-CG 3.93Å; P18-Q20 PolarHBondContact O-N 2.88Å; P18-C21 HydrophobicContact CB-CB 3.89Å; P18-C21 HydrophobicContact CG-CB 3.6Å; P18-C21 PolarHBondContact O-N 2.89Å; P18-L104 HydrophobicContact CB-CD1 4.37Å; P18-L104 HydrophobicContact CB-CD2 3.87Å; P18-L104 HydrophobicContact CB-CG 3.95Å
19T86.3Confident92Very high112 Ų11271.3 Ų71.369%0.68740%0.403SS*.THydrogen-bonded Turntrans-49.2130.9178.1-530000110.9C21T19-C21 PolarHBondContact O-N 3.1Å; T19-C21 PolarHBondContact O-SG 3.4Å
20Q87.7Confident92Very high91 Ų9173.7 Ų73.743%0.42542%0.415SS..THydrogen-bonded Turntrans60.713178.3-73.6174.3-4.500115.1P18 M38P18-Q20 PolarHBondContact O-N 2.88Å; Q20-M38 HydrophobicContact CB-CB 3.91Å; Q20-M38 HydrophobicContact CB-CG 4.3Å; Q20-M38 HydrophobicContact CG-CB 4.13Å; Q20-M38 WeakPolarHBondContact O-CG 3.4Å; Q20-M38 PolarHBondContact O-N 3.37Å
21C93.2Very high92.1Very high10 Ų1074.3 Ų74.37%0.06842%0.417CS..EExtended strand (participates in β ladder)trans-130.6144.2-176.3-65.80000111P18 T19 T36 L103 C107P18-C21 HydrophobicContact CB-CB 3.89Å; P18-C21 HydrophobicContact CG-CB 3.6Å; P18-C21 PolarHBondContact O-N 2.89Å; T19-C21 PolarHBondContact O-N 3.1Å; T19-C21 PolarHBondContact O-SG 3.4Å; C21-T36 CarbonylContact C-O 3.45Å; C21-T36 VanDerWaalsContact CA-O 3.3Å; C21-T36 WeakPolarHBondContact CA-O 3.33Å; C21-L103 HydrophobicContact CB-CB 4.27Å; C21-L103 HydrophobicContact CB-CD1 4.34Å; C21-C107 PolarHBondContact SG-SG 3.19Å
22S94.2Very high92.2Very high61 Ų6168.8 Ų68.843%0.42739%0.393SS..EExtended strand (participates in β ladder)trans-140.4154.5168.457.90000109.7A35 T36S22-A35 CarbonylContact O-C 3.6Å; S22-A35 WeakPolarHBondContact O-CA 3.32Å; S22-A35 WeakPolarHBondContact O-CB 3.44Å; S22-T36 PolarHBondContact N-O 3.3Å; S22-T36 PolarHBondContact O-N 3.27Å
23A96.1Very high92.4Very high22 Ų2265.6 Ų65.618%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-154.4150.217300000111.4L13 W33 Q34 A35 I99 L103L13-A23 HydrophobicContact CD1-CB 4.15Å; A23-W33 HydrophobicContact CB-CE3 4.12Å; A23-Q34 CarbonylContact C-O 3.52Å; A23-Q34 VanDerWaalsContact CA-O 3.23Å; A23-Q34 WeakPolarHBondContact CA-O 3.32Å; A23-A35 HydrophobicContact CB-CB 3.69Å; A23-I99 HydrophobicContact CB-CG2 4.4Å; A23-L103 HydrophobicContact CB-CD1 3.99Å
24G95.2Very high92.6Very high19 Ų1968.9 Ų68.920%0.19639%0.39CS..EExtended strand (participates in β ladder)trans-167168.1176.600000112.7W33 Q34G24-W33 CarbonylContact O-C 3.59Å; G24-W33 WeakPolarHBondContact O-CA 3.46Å; G24-W33 WeakPolarHBondContact O-CB 3.34Å; G24-Q34 PolarHBondContact N-O 3.13Å; G24-Q34 PolarHBondContact O-N 3.38Å
25P96.7Very high93Very high47 Ų4764.7 Ų64.731%0.30536%0.361SS..EExtended strand (participates in β ladder)trans-63.9146.8-17927.5-34.7000112.7L10 L30 A32 W33L10-P25 HydrophobicContact CD2-CG 4.12Å; P25-L30 HydrophobicContact CB-CD2 4.17Å; P25-L30 HydrophobicContact CG-CD2 4.23Å; P25-A32 CarbonylContact C-O 3.55Å; P25-A32 WeakPolarHBondContact CA-O 3.48Å; P25-W33 VanDerWaalsContact CA-CD1 3.42Å
26I94.4Very high93.2Very high46 Ų4660.8 Ų60.824%0.23634%0.338CS..EExtended strand (participates in β ladder)trans-87.2111.8171.6-59.1172.8000106.8D28 D29 A32 Q34I26-D28 PolarHBondContact O-N 2.98Å; I26-D29 PolarHBondContact O-N 3Å; I26-A32 HydrophobicContact CD1-CB 4.46Å; I26-A32 PolarHBondContact N-O 2.9Å; I26-Q34 HydrophobicContact CD1-CB 4.24Å; I26-Q34 HydrophobicContact CG1-CB 3.9Å
27H91.2Very high93.6Very high171 Ų17154.9 Ų54.979%0.79231%0.306SS*.THydrogen-bonded Turntrans54.2-130.3-174.2-51.1-60.8000111.1
28D89.7Confident94.2Very high165 Ų16554.9 Ų54.988%0.88230%0.3SS*.THydrogen-bonded Turntrans-93.7-1.6-176.6-57.8-40.7000113.5I26 L30I26-D28 PolarHBondContact O-N 2.98Å; D28-L30 PolarHBondContact O-N 3.43Å
29D94Very high94.7Very high83 Ų8354.7 Ų54.744%0.44430%0.3SS..EExtended strand (participates in β ladder)trans-87100.8-178.3-1744.4000111.6I26 F31 A32I26-D29 PolarHBondContact O-N 3Å; D29-F31 PolarHBondContact O-N 3.12Å; D29-F31 WeakPolarHBondContact OD1-CA 3.32Å; D29-F31 WeakPolarHBondContact OD1-CB 3.37Å; D29-F31 PolarHBondContact OD1-N 3.08Å; D29-A32 HydrophobicContact CB-CB 4.22Å; D29-A32 PolarHBondContact O-N 3.24Å; D29-A32 VanDerWaalsContact O-N 3.11Å; D29-A32 WeakPolarHBondContact OD2-CB 3.41Å
30L94.7Very high95.2Very high54 Ų5449.8 Ų49.828%0.28327%0.271SS..EExtended strand (participates in β ladder)trans-64.4-17.8176.2-69.6173.8000113.6L3 I6 L10 P25 D28 W33L3-L30 HydrophobicContact CD1-CB 4.01Å; L3-L30 HydrophobicContact CD1-CD1 3.53Å; L3-L30 HydrophobicContact CD1-CG 4.42Å; I6-L30 HydrophobicContact CG2-CB 4.43Å; I6-L30 VanDerWaalsContact CG2-O 3.24Å; I6-L30 WeakPolarHBondContact CG2-O 3.37Å; L10-L30 HydrophobicContact CD2-CD2 4.1Å; P25-L30 HydrophobicContact CB-CD2 4.17Å; P25-L30 HydrophobicContact CG-CD2 4.23Å; D28-L30 PolarHBondContact O-N 3.43Å; L30-W33 PolarHBondContact O-NE1 3.03Å
31F97.4Very high95.5Very high58 Ų5848 Ų4825%0.25427%0.272SS..EExtended strand (participates in β ladder)trans-89.5-1176.3-73.1-99.7000113.4A2 L3 I6 D29 F56A2-F31 HydrophobicContact CB-CE1 3.88Å; A2-F31 HydrophobicContact CB-CZ 4.06Å; L3-F31 HydrophobicContact CD1-CE2 4.24Å; I6-F31 HydrophobicContact CD1-CD1 3.76Å; I6-F31 HydrophobicContact CD1-CE1 3.7Å; I6-F31 HydrophobicContact CD1-CG 4.23Å; I6-F31 HydrophobicContact CD1-CZ 4.13Å; D29-F31 PolarHBondContact O-N 3.12Å; D29-F31 WeakPolarHBondContact OD1-CA 3.32Å; D29-F31 WeakPolarHBondContact OD1-CB 3.37Å; D29-F31 PolarHBondContact OD1-N 3.08Å; F31-F56 HydrophobicContact CB-CB 4.43Å; F31-F56 HydrophobicContact CD1-CB 3.85Å; F31-F56 WeakPolarHBondContact O-CD2 3.23Å; F31-F56 PolarHBondContact O-N 3.46Å
32A98.1Very high95.6Very high10 Ų1055.4 Ų55.48%0.08331%0.31CS..EExtended strand (participates in β ladder)trans-127.7113175.400000110.3P25 I26 D29 I54 L55P25-A32 CarbonylContact C-O 3.55Å; P25-A32 WeakPolarHBondContact CA-O 3.48Å; I26-A32 HydrophobicContact CD1-CB 4.46Å; I26-A32 PolarHBondContact N-O 2.9Å; D29-A32 HydrophobicContact CB-CB 4.22Å; D29-A32 PolarHBondContact O-N 3.24Å; D29-A32 VanDerWaalsContact O-N 3.11Å; D29-A32 WeakPolarHBondContact OD2-CB 3.41Å; A32-I54 CarbonylContact C-O 3.48Å; A32-I54 WeakPolarHBondContact CA-O 3.45Å; A32-L55 HydrophobicContact CB-CD2 3.77Å
33W98.1Very high95.7Very high0 Ų053 Ų530%029%0.294CS..EExtended strand (participates in β ladder)trans-114154.5178.8-69.415000111.7I6 E9 L10 L13 A23 G24 P25 L30 I54 F56 I99I6-W33 HydrophobicContact CG2-CH2 4.5Å; I6-W33 HydrophobicContact CG2-CZ2 3.52Å; E9-W33 HydrophobicContact CB-CH2 4.24Å; L10-W33 HydrophobicContact CB-CH2 3.82Å; L10-W33 HydrophobicContact CB-CZ2 3.69Å; L10-W33 HydrophobicContact CD1-CH2 4.23Å; L10-W33 HydrophobicContact CD1-CZ2 4.11Å; L10-W33 HydrophobicContact CG-CZ2 4.34Å; L13-W33 HydrophobicContact CD1-CE3 4.29Å; L13-W33 HydrophobicContact CD1-CH2 4.06Å; L13-W33 HydrophobicContact CD1-CZ3 3.4Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.4Å; A23-W33 HydrophobicContact CB-CE3 4.12Å; G24-W33 CarbonylContact O-C 3.59Å; G24-W33 WeakPolarHBondContact O-CA 3.46Å; G24-W33 WeakPolarHBondContact O-CB 3.34Å; P25-W33 VanDerWaalsContact CA-CD1 3.42Å; L30-W33 PolarHBondContact O-NE1 3.03Å; W33-I54 HydrophobicContact CB-CB 4.06Å; W33-I54 PolarHBondContact N-O 3.28Å; W33-I54 PolarHBondContact O-N 3.19Å; W33-F56 HydrophobicContact CB-CE2 4.13Å; W33-F56 AromaticContact CD1-CE2 3.64Å; W33-F56 AromaticContact CD2-CE2 3.52Å; W33-F56 HydrophobicContact CD2-CE2 3.52Å; W33-F56 AromaticContact CD2-CZ 3.69Å; W33-F56 HydrophobicContact CD2-CZ 3.69Å; W33-F56 AromaticContact CE2-CE2 3.64Å; W33-F56 AromaticContact CE2-CZ 3.84Å; W33-F56 HydrophobicContact CE3-CE2 4.04Å; W33-F56 AromaticContact CE3-CZ 3.75Å; W33-F56 HydrophobicContact CE3-CZ 3.75Å; W33-F56 AromaticContact CG-CE2 3.55Å; W33-F56 HydrophobicContact CG-CE2 3.55Å; W33-F56 HydrophobicContact CG-CZ 4.2Å; W33-F56 HydrophobicContact CH2-CZ 4.13Å; W33-F56 HydrophobicContact CZ2-CE2 4.28Å; W33-F56 HydrophobicContact CZ2-CZ 4.07Å; W33-F56 AromaticContact CZ3-CZ 3.95Å; W33-F56 HydrophobicContact CZ3-CZ 3.95Å; W33-F56 AromaticContact NE1-CE2 3.69Å; W33-I99 HydrophobicContact CE3-CG2 4.33Å; W33-I99 HydrophobicContact CZ3-CB 4.22Å; W33-I99 HydrophobicContact CZ3-CG1 4.04Å; W33-I99 HydrophobicContact CZ3-CG2 4.14Å
34Q97.9Very high95.8Very high82 Ų8252.4 Ų52.438%0.38329%0.287SS..EExtended strand (participates in β ladder)trans-107.7138.1163.1177.8167.2-6.900108.3A23 G24 I26 S51 L52 M70A23-Q34 CarbonylContact C-O 3.52Å; A23-Q34 VanDerWaalsContact CA-O 3.23Å; A23-Q34 WeakPolarHBondContact CA-O 3.32Å; G24-Q34 PolarHBondContact N-O 3.13Å; G24-Q34 PolarHBondContact O-N 3.38Å; I26-Q34 HydrophobicContact CD1-CB 4.24Å; I26-Q34 HydrophobicContact CG1-CB 3.9Å; Q34-S51 PolarHBondContact NE2-OG 3.45Å; Q34-L52 CarbonylContact C-O 3.45Å; Q34-L52 WeakPolarHBondContact CA-O 3.48Å; Q34-M70 HydrophobicContact CG-CE 3.75Å
35A97.6Very high95.9Very high1 Ų151.5 Ų51.51%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-121.1154.2171.600000110.5S22 A23 S51 L52 I54 L103S22-A35 CarbonylContact O-C 3.6Å; S22-A35 WeakPolarHBondContact O-CA 3.32Å; S22-A35 WeakPolarHBondContact O-CB 3.44Å; A23-A35 HydrophobicContact CB-CB 3.69Å; A35-S51 CarbonylContact O-C 3.56Å; A35-S51 WeakPolarHBondContact O-CA 3.23Å; A35-L52 HydrophobicContact CB-CB 4.33Å; A35-L52 PolarHBondContact N-O 2.87Å; A35-L52 PolarHBondContact O-N 2.84Å; A35-I54 HydrophobicContact CB-CD1 3.78Å; A35-I54 HydrophobicContact CB-CG1 4.42Å; A35-L103 HydrophobicContact CB-CD1 4.19Å; A35-L103 HydrophobicContact CB-CD2 3.75Å
36T96.6Very high95.9Very high33 Ų3354.3 Ų54.320%0.20229%0.287CS..EExtended strand (participates in β ladder)trans-124.3129.4173.8-61.30000108.5C21 S22 M38 V49 F50C21-T36 CarbonylContact C-O 3.45Å; C21-T36 VanDerWaalsContact CA-O 3.3Å; C21-T36 WeakPolarHBondContact CA-O 3.33Å; S22-T36 PolarHBondContact N-O 3.3Å; S22-T36 PolarHBondContact O-N 3.27Å; T36-M38 HydrophobicContact CG2-SD 4.41Å; T36-V49 HydrophobicContact CG2-CG1 3.38Å; T36-F50 CarbonylContact C-O 3.59Å; T36-F50 WeakPolarHBondContact CA-O 3.39Å
37I96.9Very high96Very high0 Ų054.1 Ų54.10%030%0.297CS..EExtended strand (participates in β ladder)trans-113.6124171.7-69.2177000107.6F50 L52 L103 I106 C107 L110I37-F50 HydrophobicContact CB-CB 4.5Å; I37-F50 PolarHBondContact N-O 2.93Å; I37-F50 PolarHBondContact O-N 2.81Å; I37-L52 HydrophobicContact CB-CD1 4.2Å; I37-L52 HydrophobicContact CD1-CD1 3.84Å; I37-L52 HydrophobicContact CD1-CD2 4.04Å; I37-L52 HydrophobicContact CG1-CD1 3.94Å; I37-L103 HydrophobicContact CD1-CD2 4.18Å; I37-L103 HydrophobicContact CG1-CD2 4.37Å; I37-I106 HydrophobicContact CD1-CB 3.91Å; I37-I106 HydrophobicContact CD1-CG2 3.5Å; I37-I106 VanDerWaalsContact CD1-CG2 3.5Å; I37-C107 WeakPolarHBondContact CG2-SG 3.34Å; I37-L110 HydrophobicContact CG2-CD1 4Å
38M96.7Very high96.3Very high76 Ų7646 Ų4637%0.37426%0.259SS..EExtended strand (participates in β ladder)trans-75.9136.2168.9-53.5-59.9-63.800108.8Q20 T36 P40 V49Q20-M38 HydrophobicContact CB-CB 3.91Å; Q20-M38 HydrophobicContact CB-CG 4.3Å; Q20-M38 HydrophobicContact CG-CB 4.13Å; Q20-M38 WeakPolarHBondContact O-CG 3.4Å; Q20-M38 PolarHBondContact O-N 3.37Å; T36-M38 HydrophobicContact CG2-SD 4.41Å; M38-P40 WeakPolarHBondContact O-CD 3.41Å; M38-V49 HydrophobicContact CE-CG2 3.85Å; M38-V49 HydrophobicContact SD-CG1 4.38Å; M38-V49 HydrophobicContact SD-CG2 4.1Å
39G96.7Very high96.7Very high7 Ų740.5 Ų40.57%0.07223%0.232CC..PPolyproline II helixtrans-54.7119.9173.100000111.6Y45 G48G39-Y45 WeakPolarHBondContact CA-O 3.35Å; G39-G48 PolarHBondContact N-O 3.49Å
40P96Very high96.9Very high10 Ų1036.6 Ų36.67%0.06521%0.21CC..PPolyproline II helixtrans-59145.2-178-2736.8000112M38 S43 E46 L110 T111M38-P40 WeakPolarHBondContact O-CD 3.41Å; P40-S43 WeakPolarHBondContact O-CB 3.36Å; P40-S43 PolarHBondContact O-OG 2.94Å; P40-E46 WeakPolarHBondContact O-CA 3.36Å; P40-E46 WeakPolarHBondContact O-CB 3.16Å; P40-L110 HydrophobicContact CG-CB 4.38Å; P40-T111 HydrophobicContact CB-CG2 3.49Å; P40-T111 VanDerWaalsContact CB-CG2 3.49Å; P40-T111 HydrophobicContact CG-CG2 3.85Å
41A94.6Very high97Very high54 Ų5435.3 Ų35.345%0.44621%0.206SC..THydrogen-bonded Turntrans-62.2154.317300000111.1S43A41-S43 PolarHBondContact O-N 3.05Å
42D94.4Very high97.1Very high165 Ų16532.5 Ų32.588%0.88219%0.194SC*.THydrogen-bonded Turntrans58.826-178.7-58.1-54.7000113.2E46D42-E46 PolarHBondContact N-OE2 3.29Å
43S96.6Very high97.1Very high11 Ų1136 Ų368%0.07721%0.207CC..SBendtrans-125.8159.5178.587.50000110.7P40 A41 Y45 E46P40-S43 WeakPolarHBondContact O-CB 3.36Å; P40-S43 PolarHBondContact O-OG 2.94Å; A41-S43 PolarHBondContact O-N 3.05Å; S43-Y45 PolarHBondContact O-N 2.84Å; S43-Y45 PolarHBondContact OG-N 3.08Å; S43-Y45 VanDerWaalsContact OG-N 3.14Å; S43-E46 WeakPolarHBondContact O-CB 3.32Å; S43-E46 PolarHBondContact O-N 2.87Å; S43-E46 VanDerWaalsContact O-N 3.14Å; S43-E46 PolarHBondContact OG-N 2.79Å
44P97.9Very high97.1Very high8 Ų836 Ų365%0.05221%0.207CC..THydrogen-bonded Turntrans-67.5-4.1173.830.8-36.3000113.3Y134 D135 A138 R139 T142P44-Y134 HydrophobicContact CG-CE1 4.4Å; P44-D135 HydrophobicContact CB-CB 4.37Å; P44-A138 HydrophobicContact CB-CB 3.58Å; P44-A138 HydrophobicContact CG-CB 3.79Å; P44-R139 HydrophobicContact CB-CG 3.72Å; P44-R139 WeakPolarHBondContact O-CA 3.41Å; P44-R139 WeakPolarHBondContact O-CG 3.33Å; P44-T142 PolarHBondContact O-OG1 2.97Å
45Y98Very high97.1Very high1 Ų135.3 Ų35.30%0.00421%0.206CC..THydrogen-bonded Turntrans-96.4-8.7177.2-51.8-63000113G39 S43 G47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142G39-Y45 WeakPolarHBondContact CA-O 3.35Å; S43-Y45 PolarHBondContact O-N 2.84Å; S43-Y45 PolarHBondContact OG-N 3.08Å; S43-Y45 VanDerWaalsContact OG-N 3.14Å; Y45-G47 PolarHBondContact O-N 2.97Å; Y45-G48 PolarHBondContact O-N 3.43Å; Y45-F50 AromaticContact CD1-CZ 3.84Å; Y45-F50 HydrophobicContact CD1-CZ 3.84Å; Y45-F50 HydrophobicContact CG-CZ 4.27Å; Y45-I73 HydrophobicContact CD1-CD1 3.82Å; Y45-I73 HydrophobicContact CD1-CG1 3.97Å; Y45-I73 HydrophobicContact CE1-CD1 3.64Å; Y45-I73 HydrophobicContact CE1-CG1 3.52Å; Y45-I73 HydrophobicContact CG-CD1 4.49Å; Y45-Y74 PolarHBondContact OH-O 2.94Å; Y45-H75 AromaticContact CZ-CD2 3.86Å; Y45-H75 PolarHBondContact OH-CD2 2.74Å; Y45-L110 HydrophobicContact CD2-CB 3.9Å; Y45-L110 HydrophobicContact CE2-CB 4.16Å; Y45-L110 WeakPolarHBondContact CE2-O 3.45Å; Y45-Y134 PolarHBondContact OH-OH 3.21Å; Y45-A138 HydrophobicContact CE1-CB 4.13Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.39Å; Y45-T142 VanDerWaalsContact O-CG2 3.32Å; Y45-T142 WeakPolarHBondContact O-CG2 3.48Å
46E97Very high97.1Very high106 Ų10635.9 Ų35.950%0.49521%0.208SC..THydrogen-bonded Turntrans-49.3134.2-177-174.3173.2162.400112.4P40 D42 S43 G48P40-E46 WeakPolarHBondContact O-CA 3.36Å; P40-E46 WeakPolarHBondContact O-CB 3.16Å; D42-E46 PolarHBondContact N-OE2 3.29Å; S43-E46 WeakPolarHBondContact O-CB 3.32Å; S43-E46 PolarHBondContact O-N 2.87Å; S43-E46 VanDerWaalsContact O-N 3.14Å; S43-E46 PolarHBondContact OG-N 2.79Å; E46-G48 PolarHBondContact O-N 2.83Å
47G95.7Very high97.1Very high42 Ų4236 Ų3643%0.43321%0.209SC..THydrogen-bonded Turntrans78.7-8.8-177.500000114.9Y45Y45-G47 PolarHBondContact O-N 2.97Å
48G97.7Very high97.1Very high0 Ų042 Ų420%025%0.246CC..  trans-75.5152.9172.600000113.6G39 Y45 E46G39-G48 PolarHBondContact N-O 3.49Å; Y45-G48 PolarHBondContact O-N 3.43Å; E46-G48 PolarHBondContact O-N 2.83Å
49V97.5Very high97.1Very high50 Ų5041 Ų4130%0.30324%0.242SC..EExtended strand (participates in β ladder)trans-118.9107.2173.3-1740000108.1T36 M38 A146T36-V49 HydrophobicContact CG2-CG1 3.38Å; M38-V49 HydrophobicContact CE-CG2 3.85Å; M38-V49 HydrophobicContact SD-CG1 4.38Å; M38-V49 HydrophobicContact SD-CG2 4.1Å; V49-A146 PolarHBondContact N-O 2.82Å
50F98.1Very high97.1Very high0 Ų040.7 Ų40.70%024%0.239CC..EExtended strand (participates in β ladder)trans-101116.3-176.5-60.2-87.4000110.3T36 I37 Y45 L52 F69 T71 I73 T142 A146T36-F50 CarbonylContact C-O 3.59Å; T36-F50 WeakPolarHBondContact CA-O 3.39Å; I37-F50 HydrophobicContact CB-CB 4.5Å; I37-F50 PolarHBondContact N-O 2.93Å; I37-F50 PolarHBondContact O-N 2.81Å; Y45-F50 AromaticContact CD1-CZ 3.84Å; Y45-F50 HydrophobicContact CD1-CZ 3.84Å; Y45-F50 HydrophobicContact CG-CZ 4.27Å; F50-L52 HydrophobicContact CB-CD1 4.32Å; F50-L52 VanDerWaalsContact O-CD1 3.32Å; F50-L52 WeakPolarHBondContact O-CD1 3.46Å; F50-F69 HydrophobicContact CB-CD1 4.17Å; F50-F69 HydrophobicContact CB-CE1 3.78Å; F50-F69 HydrophobicContact CD1-CD1 4.36Å; F50-F69 HydrophobicContact CD1-CE1 4.16Å; F50-F69 HydrophobicContact CG-CE1 4.13Å; F50-T71 HydrophobicContact CD1-CG2 3.75Å; F50-T71 HydrophobicContact CE1-CG2 4.27Å; F50-I73 HydrophobicContact CD1-CB 4.32Å; F50-I73 HydrophobicContact CD1-CD1 3.98Å; F50-I73 HydrophobicContact CD1-CG1 4.38Å; F50-I73 HydrophobicContact CE1-CB 4.07Å; F50-I73 HydrophobicContact CE1-CD1 3.7Å; F50-I73 HydrophobicContact CE1-CG1 3.83Å; F50-I73 HydrophobicContact CZ-CD1 4.18Å; F50-T142 HydrophobicContact CZ-CG2 4.14Å; F50-A146 HydrophobicContact CD1-CB 3.96Å; F50-A146 HydrophobicContact CE1-CB 3.51Å; F50-A146 HydrophobicContact CE2-CB 4.18Å; F50-A146 HydrophobicContact CG-CB 4.47Å; F50-A146 HydrophobicContact CZ-CB 3.64Å
51S97.8Very high97.2Very high27 Ų2740.6 Ų40.619%0.18924%0.238CC..EExtended strand (participates in β ladder)trans-86.6133.7173.2-69.80000110.7Q34 A35 M70 T71Q34-S51 PolarHBondContact NE2-OG 3.45Å; A35-S51 CarbonylContact O-C 3.56Å; A35-S51 WeakPolarHBondContact O-CA 3.23Å; S51-M70 WeakPolarHBondContact O-CA 3.33Å; S51-M70 WeakPolarHBondContact O-CB 3.3Å; S51-M70 PolarHBondContact O-N 3.25Å; S51-T71 PolarHBondContact N-OG1 3.08Å; S51-T71 PolarHBondContact O-N 2.92Å; S51-T71 VanDerWaalsContact O-N 3.16Å
52L98.4Very high97.3Very high0 Ų044.2 Ų44.20%024%0.244CC..EExtended strand (participates in β ladder)trans-123.2148.8177-67.381.3000109.7Q34 A35 I37 F50 I67 S68 F69 I84 I106Q34-L52 CarbonylContact C-O 3.45Å; Q34-L52 WeakPolarHBondContact CA-O 3.48Å; A35-L52 HydrophobicContact CB-CB 4.33Å; A35-L52 PolarHBondContact N-O 2.87Å; A35-L52 PolarHBondContact O-N 2.84Å; I37-L52 HydrophobicContact CB-CD1 4.2Å; I37-L52 HydrophobicContact CD1-CD1 3.84Å; I37-L52 HydrophobicContact CD1-CD2 4.04Å; I37-L52 HydrophobicContact CG1-CD1 3.94Å; F50-L52 HydrophobicContact CB-CD1 4.32Å; F50-L52 VanDerWaalsContact O-CD1 3.32Å; F50-L52 WeakPolarHBondContact O-CD1 3.46Å; L52-I67 HydrophobicContact CB-CG2 4.4Å; L52-I67 HydrophobicContact CD2-CG2 3.79Å; L52-S68 CarbonylContact C-O 3.55Å; L52-S68 WeakPolarHBondContact CA-O 3.3Å; L52-F69 HydrophobicContact CD1-CD1 4.25Å; L52-F69 HydrophobicContact CD1-CE1 4.03Å; L52-F69 HydrophobicContact CD1-CZ 4.22Å; L52-F69 HydrophobicContact CD2-CD2 4Å; L52-F69 HydrophobicContact CD2-CE2 3.74Å; L52-F69 HydrophobicContact CD2-CG 4.49Å; L52-F69 HydrophobicContact CD2-CZ 4.03Å; L52-F69 HydrophobicContact CG-CD1 4.23Å; L52-F69 HydrophobicContact CG-CD2 4.16Å; L52-F69 HydrophobicContact CG-CE1 4.31Å; L52-F69 HydrophobicContact CG-CE2 4.22Å; L52-F69 HydrophobicContact CG-CG 4.15Å; L52-F69 HydrophobicContact CG-CZ 4.29Å; L52-I84 HydrophobicContact CD2-CD1 4.25Å; L52-I106 HydrophobicContact CD2-CD1 4.01Å; L52-I106 HydrophobicContact CD2-CG2 4.3Å
53K98.2Very high97.4Very high82 Ų8242 Ų4236%0.35723%0.226SC..EExtended strand (participates in β ladder)trans-104.3134.5170.8-173.3171.4-176171.50109.4L55 I67 S68 M70K53-L55 HydrophobicContact CG-CG 4.42Å; K53-I67 VanDerWaalsContact O-CA 3.32Å; K53-I67 WeakPolarHBondContact O-CA 3.11Å; K53-S68 PolarHBondContact N-O 3.16Å; K53-S68 PolarHBondContact O-N 3.39Å; K53-M70 HydrophobicContact CB-CG 3.93Å; K53-M70 HydrophobicContact CB-SD 3.84Å
54I98.4Very high97.4Very high0 Ų043.4 Ų43.40%024%0.235CC..EExtended strand (participates in β ladder)trans-121.7125.8178.1-55.5177000107.7A32 W33 A35 F56 P65 K66 I67 I99A32-I54 CarbonylContact C-O 3.48Å; A32-I54 WeakPolarHBondContact CA-O 3.45Å; W33-I54 HydrophobicContact CB-CB 4.06Å; W33-I54 PolarHBondContact N-O 3.28Å; W33-I54 PolarHBondContact O-N 3.19Å; A35-I54 HydrophobicContact CB-CD1 3.78Å; A35-I54 HydrophobicContact CB-CG1 4.42Å; I54-F56 HydrophobicContact CG2-CD2 4.35Å; I54-F56 HydrophobicContact CG2-CE1 4.41Å; I54-F56 HydrophobicContact CG2-CE2 3.83Å; I54-F56 HydrophobicContact CG2-CZ 3.88Å; I54-P65 HydrophobicContact CG2-CB 3.91Å; I54-K66 CarbonylContact C-O 3.58Å; I54-K66 WeakPolarHBondContact CA-O 3.3Å; I54-I67 HydrophobicContact CB-CG1 4.46Å; I54-I67 HydrophobicContact CD1-CD1 4.37Å; I54-I67 HydrophobicContact CG1-CD1 4.15Å; I54-I67 HydrophobicContact CG1-CG1 4.08Å; I54-I67 HydrophobicContact CG1-CG2 4.27Å; I54-I67 HydrophobicContact CG2-CD1 4.46Å; I54-I67 HydrophobicContact CG2-CG1 4.2Å; I54-I99 HydrophobicContact CD1-CG2 3.82Å; I54-I99 HydrophobicContact CG2-CD1 4.03Å
55L98.2Very high97.4Very high68 Ų6843.2 Ų43.236%0.35623%0.234SC..EExtended strand (participates in β ladder)trans-120.8119.2175.7-65.7173.3000109.4A32 K53 P65 K66A32-L55 HydrophobicContact CB-CD2 3.77Å; K53-L55 HydrophobicContact CG-CG 4.42Å; L55-P65 CarbonylContact O-C 3.27Å; L55-P65 WeakPolarHBondContact O-CA 3.42Å; L55-K66 HydrophobicContact CB-CB 4.33Å; L55-K66 PolarHBondContact N-O 2.97Å; L55-K66 PolarHBondContact O-N 2.86Å
56F98.2Very high97.4Very high14 Ų1450.2 Ų50.26%0.06127%0.265CS..  trans-85.4132.3178.7-61.4-92.2000110.1I6 F31 W33 I54 Y60 P65 I99I6-F56 HydrophobicContact CD1-CB 3.7Å; I6-F56 HydrophobicContact CD1-CD1 4.01Å; I6-F56 HydrophobicContact CD1-CD2 4.23Å; I6-F56 HydrophobicContact CD1-CG 3.72Å; I6-F56 HydrophobicContact CG1-CD1 3.88Å; I6-F56 HydrophobicContact CG1-CE1 4.17Å; I6-F56 HydrophobicContact CG1-CG 4.08Å; F31-F56 HydrophobicContact CB-CB 4.43Å; F31-F56 HydrophobicContact CD1-CB 3.85Å; F31-F56 WeakPolarHBondContact O-CD2 3.23Å; F31-F56 PolarHBondContact O-N 3.46Å; W33-F56 HydrophobicContact CB-CE2 4.13Å; W33-F56 AromaticContact CD1-CE2 3.64Å; W33-F56 AromaticContact CD2-CE2 3.52Å; W33-F56 HydrophobicContact CD2-CE2 3.52Å; W33-F56 AromaticContact CD2-CZ 3.69Å; W33-F56 HydrophobicContact CD2-CZ 3.69Å; W33-F56 AromaticContact CE2-CE2 3.64Å; W33-F56 AromaticContact CE2-CZ 3.84Å; W33-F56 HydrophobicContact CE3-CE2 4.04Å; W33-F56 AromaticContact CE3-CZ 3.75Å; W33-F56 HydrophobicContact CE3-CZ 3.75Å; W33-F56 AromaticContact CG-CE2 3.55Å; W33-F56 HydrophobicContact CG-CE2 3.55Å; W33-F56 HydrophobicContact CG-CZ 4.2Å; W33-F56 HydrophobicContact CH2-CZ 4.13Å; W33-F56 HydrophobicContact CZ2-CE2 4.28Å; W33-F56 HydrophobicContact CZ2-CZ 4.07Å; W33-F56 AromaticContact CZ3-CZ 3.95Å; W33-F56 HydrophobicContact CZ3-CZ 3.95Å; W33-F56 AromaticContact NE1-CE2 3.69Å; I54-F56 HydrophobicContact CG2-CD2 4.35Å; I54-F56 HydrophobicContact CG2-CE1 4.41Å; I54-F56 HydrophobicContact CG2-CE2 3.83Å; I54-F56 HydrophobicContact CG2-CZ 3.88Å; F56-Y60 AromaticContact CD1-CD1 3.9Å; F56-Y60 HydrophobicContact CD1-CD1 3.9Å; F56-Y60 AromaticContact CD1-CD2 3.85Å; F56-Y60 HydrophobicContact CD1-CD2 3.85Å; F56-Y60 AromaticContact CD1-CE1 3.94Å; F56-Y60 HydrophobicContact CD1-CE1 3.94Å; F56-Y60 AromaticContact CD1-CE2 3.92Å; F56-Y60 HydrophobicContact CD1-CE2 3.92Å; F56-Y60 AromaticContact CD1-CG 3.85Å; F56-Y60 HydrophobicContact CD1-CG 3.85Å; F56-Y60 AromaticContact CD1-CZ 3.97Å; F56-Y60 HydrophobicContact CE1-CD1 4.43Å; F56-Y60 HydrophobicContact CE1-CE1 4.02Å; F56-Y60 HydrophobicContact CE1-CE2 4.2Å; F56-Y60 AromaticContact CE1-CZ 3.92Å; F56-P65 HydrophobicContact CD1-CB 4.23Å; F56-I99 HydrophobicContact CE1-CD1 3.63Å; F56-I99 HydrophobicContact CE1-CG1 3.7Å; F56-I99 HydrophobicContact CZ-CD1 3.86Å; F56-I99 HydrophobicContact CZ-CG1 3.72Å
57P97.1Very high97.5Very high34 Ų3445.6 Ų45.622%0.22124%0.243CC..  trans-73159.4169.734-37.4000110.6D59 Y60 K63 P64P57-D59 WeakPolarHBondContact CB-OD1 3.49Å; P57-D59 PolarHBondContact O-N 3.34Å; P57-Y60 VanDerWaalsContact O-CB 3.29Å; P57-Y60 WeakPolarHBondContact O-CB 3.47Å; P57-Y60 PolarHBondContact O-N 3.39Å; P57-Y60 VanDerWaalsContact O-N 3.08Å; P57-K63 HydrophobicContact CB-CB 4.43Å; P57-K63 HydrophobicContact CG-CB 3.79Å; P57-P64 WeakPolarHBondContact CD-O 3.45Å; P57-P64 WeakPolarHBondContact CG-O 3.44Å
58T95.9Very high97.6Very high127 Ų12745 Ų4578%0.77923%0.232SC*.THydrogen-bonded Turntrans-65-22.5-17951.80000113.5A2A2-T58 WeakPolarHBondContact CB-O 3.29Å
59D96.3Very high97.6Very high54 Ų5445.4 Ų45.429%0.28923%0.234SC..THydrogen-bonded Turntrans-98.315.117658.8-1.2000113.5P57 F62 K63P57-D59 WeakPolarHBondContact CB-OD1 3.49Å; P57-D59 PolarHBondContact O-N 3.34Å; D59-F62 WeakPolarHBondContact O-CB 3.48Å; D59-F62 WeakPolarHBondContact O-CD2 3.16Å; D59-F62 PolarHBondContact O-N 2.84Å; D59-K63 WeakPolarHBondContact OD1-CB 3.46Å; D59-K63 WeakPolarHBondContact OD1-CD 3.36Å; D59-K63 WeakPolarHBondContact OD2-CD 3.36Å; D59-K63 WeakPolarHBondContact OD2-CE 3.44Å; D59-K63 WeakPolarHBondContact OD2-CG 3.44Å; D59-K63 IonicContact OD2-NZ 3.72Å; D59-K63 PolarHBondContact OD2-NZ 2.96Å
60Y97.8Very high97.6Very high2 Ų247.3 Ų47.31%0.00824%0.241CC..THydrogen-bonded Turntrans-54.8137.3170.4-172.3-100.5000111.1A2 R5 I6 E9 F56 P57 K63 P65 W93A2-Y60 WeakPolarHBondContact CA-O 3.48Å; A2-Y60 VanDerWaalsContact CB-O 3.23Å; A2-Y60 WeakPolarHBondContact CB-O 3.33Å; R5-Y60 HydrophobicContact CG-CD1 3.98Å; R5-Y60 HydrophobicContact CG-CE1 3.66Å; I6-Y60 HydrophobicContact CD1-CD1 4.37Å; I6-Y60 HydrophobicContact CG1-CD1 3.77Å; I6-Y60 HydrophobicContact CG1-CE1 4.15Å; E9-Y60 PolarHBondContact OE1-OH 2.87Å; F56-Y60 AromaticContact CD1-CD1 3.9Å; F56-Y60 HydrophobicContact CD1-CD1 3.9Å; F56-Y60 AromaticContact CD1-CD2 3.85Å; F56-Y60 HydrophobicContact CD1-CD2 3.85Å; F56-Y60 AromaticContact CD1-CE1 3.94Å; F56-Y60 HydrophobicContact CD1-CE1 3.94Å; F56-Y60 AromaticContact CD1-CE2 3.92Å; F56-Y60 HydrophobicContact CD1-CE2 3.92Å; F56-Y60 AromaticContact CD1-CG 3.85Å; F56-Y60 HydrophobicContact CD1-CG 3.85Å; F56-Y60 AromaticContact CD1-CZ 3.97Å; F56-Y60 HydrophobicContact CE1-CD1 4.43Å; F56-Y60 HydrophobicContact CE1-CE1 4.02Å; F56-Y60 HydrophobicContact CE1-CE2 4.2Å; F56-Y60 AromaticContact CE1-CZ 3.92Å; P57-Y60 VanDerWaalsContact O-CB 3.29Å; P57-Y60 WeakPolarHBondContact O-CB 3.47Å; P57-Y60 PolarHBondContact O-N 3.39Å; P57-Y60 VanDerWaalsContact O-N 3.08Å; Y60-K63 WeakPolarHBondContact CD2-O 3.32Å; Y60-P65 HydrophobicContact CE2-CG 4.38Å; Y60-W93 HydrophobicContact CD2-CZ2 4.25Å; Y60-W93 AromaticContact CE2-CH2 3.7Å; Y60-W93 HydrophobicContact CE2-CH2 3.7Å; Y60-W93 AromaticContact CE2-CZ2 3.54Å; Y60-W93 HydrophobicContact CE2-CZ2 3.54Å
61P96.8Very high97.6Very high7 Ų748.2 Ų48.25%0.04525%0.247CC..THydrogen-bonded Turncis-93.413.56.638.8-37.4000114.9R5 K63 W93 P95R5-P61 HydrophobicContact CG-CB 4.33Å; R5-P61 HydrophobicContact CG-CG 4.14Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 2.83Å; P61-W93 HydrophobicContact CB-CZ2 4.47Å; P61-W93 PolarHBondContact O-NE1 3.14Å; P61-P95 HydrophobicContact CB-CB 4.23Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.49Å
62F96.7Very high97.6Very high131 Ų13152.5 Ų52.558%0.57526%0.262SS*.SBendtrans-69.5-28.7-179.8-60.6-72.5000112.7M1 D59 P95M1-F62 HydrophobicContact SD-CE2 4.13Å; M1-F62 HydrophobicContact SD-CZ 4.31Å; D59-F62 WeakPolarHBondContact O-CB 3.48Å; D59-F62 WeakPolarHBondContact O-CD2 3.16Å; D59-F62 PolarHBondContact O-N 2.84Å; F62-P95 HydrophobicContact CD1-CG 4.32Å
63K97Very high97.6Very high117 Ų11753 Ų5351%0.50927%0.265SS..SBendtrans-111.9149.3166.9-69.6-170.7-173136.30111.5P57 D59 Y60 P61P57-K63 HydrophobicContact CB-CB 4.43Å; P57-K63 HydrophobicContact CG-CB 3.79Å; D59-K63 WeakPolarHBondContact OD1-CB 3.46Å; D59-K63 WeakPolarHBondContact OD1-CD 3.36Å; D59-K63 WeakPolarHBondContact OD2-CD 3.36Å; D59-K63 WeakPolarHBondContact OD2-CE 3.44Å; D59-K63 WeakPolarHBondContact OD2-CG 3.44Å; D59-K63 IonicContact OD2-NZ 3.72Å; D59-K63 PolarHBondContact OD2-NZ 2.96Å; Y60-K63 WeakPolarHBondContact CD2-O 3.32Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 2.83Å
64P97.4Very high97.6Very high41 Ų4151 Ų5127%0.26626%0.255SS..PPolyproline II helixtrans-65153.8177.325.8-33.1000111.8P57 W93P57-P64 WeakPolarHBondContact CD-O 3.45Å; P57-P64 WeakPolarHBondContact CG-O 3.44Å; P64-W93 VanDerWaalsContact CA-CE2 3.49Å; P64-W93 HydrophobicContact CB-CB 4.02Å; P64-W93 HydrophobicContact CB-CD2 3.5Å; P64-W93 HydrophobicContact CB-CE3 3.74Å; P64-W93 HydrophobicContact CB-CG 3.6Å; P64-W93 HydrophobicContact CB-CZ3 4.45Å; P64-W93 HydrophobicContact CG-CB 4.19Å; P64-W93 HydrophobicContact CG-CD2 4.45Å; P64-W93 HydrophobicContact CG-CG 4.06Å
65P97.7Very high97.6Very high5 Ų551.1 Ų51.13%0.03226%0.255CS..PPolyproline II helixtrans-70148.6166.533.3-31.5000109.4I54 L55 F56 Y60 I67 W93 I99I54-P65 HydrophobicContact CG2-CB 3.91Å; L55-P65 CarbonylContact O-C 3.27Å; L55-P65 WeakPolarHBondContact O-CA 3.42Å; F56-P65 HydrophobicContact CD1-CB 4.23Å; Y60-P65 HydrophobicContact CE2-CG 4.38Å; P65-I67 HydrophobicContact CB-CG1 4.37Å; P65-I67 HydrophobicContact CG-CD1 4.16Å; P65-I67 HydrophobicContact CG-CG1 4.16Å; P65-I67 PolarHBondContact O-N 3.32Å; P65-W93 HydrophobicContact CG-CH2 4.37Å; P65-W93 HydrophobicContact CG-CZ3 4.42Å; P65-I99 HydrophobicContact CB-CD1 4.3Å; P65-I99 HydrophobicContact CG-CD1 3.76Å
66K97.9Very high97.6Very high147 Ų14747.9 Ų47.964%0.63924%0.238SC*.EExtended strand (participates in β ladder)trans-83.2116.6168.7-179175.2-179.4178.20108.5I54 L55I54-K66 CarbonylContact C-O 3.58Å; I54-K66 WeakPolarHBondContact CA-O 3.3Å; L55-K66 HydrophobicContact CB-CB 4.33Å; L55-K66 PolarHBondContact N-O 2.97Å; L55-K66 PolarHBondContact O-N 2.86Å
67I98.4Very high97.6Very high10 Ų1047.2 Ų47.25%0.05124%0.235CC..EExtended strand (participates in β ladder)trans-114.9134.6178.4-52.8-170.4000110L52 K53 I54 P65 I84 L89 V102 I106L52-I67 HydrophobicContact CB-CG2 4.4Å; L52-I67 HydrophobicContact CD2-CG2 3.79Å; K53-I67 VanDerWaalsContact O-CA 3.32Å; K53-I67 WeakPolarHBondContact O-CA 3.11Å; I54-I67 HydrophobicContact CB-CG1 4.46Å; I54-I67 HydrophobicContact CD1-CD1 4.37Å; I54-I67 HydrophobicContact CG1-CD1 4.15Å; I54-I67 HydrophobicContact CG1-CG1 4.08Å; I54-I67 HydrophobicContact CG1-CG2 4.27Å; I54-I67 HydrophobicContact CG2-CD1 4.46Å; I54-I67 HydrophobicContact CG2-CG1 4.2Å; P65-I67 HydrophobicContact CB-CG1 4.37Å; P65-I67 HydrophobicContact CG-CD1 4.16Å; P65-I67 HydrophobicContact CG-CG1 4.16Å; P65-I67 PolarHBondContact O-N 3.32Å; I67-I84 HydrophobicContact CB-CD1 4.45Å; I67-I84 HydrophobicContact CG2-CD1 3.95Å; I67-L89 HydrophobicContact CB-CD1 4.28Å; I67-L89 HydrophobicContact CD1-CD2 4.05Å; I67-L89 HydrophobicContact CG1-CD2 4.24Å; I67-V102 HydrophobicContact CD1-CB 4.49Å; I67-V102 HydrophobicContact CD1-CG1 3.39Å; I67-I106 HydrophobicContact CD1-CD1 4.39Å; I67-I106 HydrophobicContact CG2-CD1 4.05Å
68S98.2Very high97.7Very high28 Ų2845.7 Ų45.720%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-144.5142.3175.756.10000111.9L52 K53 G82L52-S68 CarbonylContact C-O 3.55Å; L52-S68 WeakPolarHBondContact CA-O 3.3Å; K53-S68 PolarHBondContact N-O 3.16Å; K53-S68 PolarHBondContact O-N 3.39Å; S68-G82 CarbonylContact C-O 3.58Å; S68-G82 WeakPolarHBondContact CA-O 3.48Å; S68-G82 WeakPolarHBondContact CB-O 3.49Å
69F98.4Very high97.7Very high9 Ų941.5 Ų41.54%0.03920%0.198CC..EExtended strand (participates in β ladder)trans-65.2132.1169.1-82.1-105.4000110.9F50 L52 I73 I78 G82 I84 I106 L110F50-F69 HydrophobicContact CB-CD1 4.17Å; F50-F69 HydrophobicContact CB-CE1 3.78Å; F50-F69 HydrophobicContact CD1-CD1 4.36Å; F50-F69 HydrophobicContact CD1-CE1 4.16Å; F50-F69 HydrophobicContact CG-CE1 4.13Å; L52-F69 HydrophobicContact CD1-CD1 4.25Å; L52-F69 HydrophobicContact CD1-CE1 4.03Å; L52-F69 HydrophobicContact CD1-CZ 4.22Å; L52-F69 HydrophobicContact CD2-CD2 4Å; L52-F69 HydrophobicContact CD2-CE2 3.74Å; L52-F69 HydrophobicContact CD2-CG 4.49Å; L52-F69 HydrophobicContact CD2-CZ 4.03Å; L52-F69 HydrophobicContact CG-CD1 4.23Å; L52-F69 HydrophobicContact CG-CD2 4.16Å; L52-F69 HydrophobicContact CG-CE1 4.31Å; L52-F69 HydrophobicContact CG-CE2 4.22Å; L52-F69 HydrophobicContact CG-CG 4.15Å; L52-F69 HydrophobicContact CG-CZ 4.29Å; F69-I73 HydrophobicContact CD1-CG2 4.04Å; F69-I73 HydrophobicContact CE1-CD1 4.07Å; F69-I73 HydrophobicContact CE1-CG2 4.41Å; F69-I73 HydrophobicContact CG-CG2 4.29Å; F69-I78 HydrophobicContact CB-CG2 4.34Å; F69-I78 HydrophobicContact CD2-CD1 3.9Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.29Å; F69-I78 HydrophobicContact CE2-CD1 3.4Å; F69-I78 VanDerWaalsContact CE2-CD1 3.4Å; F69-I78 HydrophobicContact CE2-CG1 4.16Å; F69-I78 HydrophobicContact CE2-CG2 4.5Å; F69-I78 HydrophobicContact CG-CG2 4.19Å; F69-I78 HydrophobicContact CZ-CD1 3.63Å; F69-G82 PolarHBondContact N-O 3.4Å; F69-G82 WeakPolarHBondContact O-CA 3.23Å; F69-I84 HydrophobicContact CD2-CD1 3.71Å; F69-I84 HydrophobicContact CD2-CG1 3.79Å; F69-I84 HydrophobicContact CE2-CD1 3.61Å; F69-I84 HydrophobicContact CE2-CG1 3.94Å; F69-I106 HydrophobicContact CE2-CG2 3.85Å; F69-I106 HydrophobicContact CZ-CG2 3.81Å; F69-L110 HydrophobicContact CZ-CD2 4.19Å
70M97.8Very high97.6Very high90 Ų9044.3 Ų44.344%0.44322%0.22SC..SBendtrans-93.8-37.6167.4-59-168.8-64.500110.4Q34 S51 K53Q34-M70 HydrophobicContact CG-CE 3.75Å; S51-M70 WeakPolarHBondContact O-CA 3.33Å; S51-M70 WeakPolarHBondContact O-CB 3.3Å; S51-M70 PolarHBondContact O-N 3.25Å; K53-M70 HydrophobicContact CB-CG 3.93Å; K53-M70 HydrophobicContact CB-SD 3.84Å
71T97.8Very high97.5Very high20 Ų2048.3 Ų48.312%0.12325%0.248CC..SBendtrans-72.8130.4170.7-58.50000110.1F50 S51 Y145 A146F50-T71 HydrophobicContact CD1-CG2 3.75Å; F50-T71 HydrophobicContact CE1-CG2 4.27Å; S51-T71 PolarHBondContact N-OG1 3.08Å; S51-T71 PolarHBondContact O-N 2.92Å; S51-T71 VanDerWaalsContact O-N 3.16Å; T71-Y145 VanDerWaalsContact CG2-O 3.32Å; T71-Y145 WeakPolarHBondContact CG2-O 3.3Å; T71-A146 HydrophobicContact CG2-CB 3.74Å
72K97.7Very high97.5Very high117 Ų11748.2 Ų48.251%0.50925%0.248SC..  trans-65.2138.2175.7-67.7-179.6-178.4176.20110.2W141 Y145K72-W141 HydrophobicContact CB-CE3 4.22Å; K72-W141 HydrophobicContact CB-CZ3 4.06Å; K72-Y145 HydrophobicContact CB-CD1 4.37Å; K72-Y145 HydrophobicContact CB-CD2 3.88Å; K72-Y145 HydrophobicContact CB-CE2 4.38Å; K72-Y145 HydrophobicContact CB-CG 3.87Å; K72-Y145 HydrophobicContact CD-CD1 4.09Å; K72-Y145 HydrophobicContact CD-CE1 3.94Å; K72-Y145 HydrophobicContact CD-CE2 4.38Å; K72-Y145 HydrophobicContact CD-CG 4.38Å
73I98.2Very high97.6Very high11 Ų1144.2 Ų44.26%0.05624%0.236CC..  trans-142.7143.2-178.8-170170.9000110.4Y45 F50 F69 H75 I78 L110Y45-I73 HydrophobicContact CD1-CD1 3.82Å; Y45-I73 HydrophobicContact CD1-CG1 3.97Å; Y45-I73 HydrophobicContact CE1-CD1 3.64Å; Y45-I73 HydrophobicContact CE1-CG1 3.52Å; Y45-I73 HydrophobicContact CG-CD1 4.49Å; F50-I73 HydrophobicContact CD1-CB 4.32Å; F50-I73 HydrophobicContact CD1-CD1 3.98Å; F50-I73 HydrophobicContact CD1-CG1 4.38Å; F50-I73 HydrophobicContact CE1-CB 4.07Å; F50-I73 HydrophobicContact CE1-CD1 3.7Å; F50-I73 HydrophobicContact CE1-CG1 3.83Å; F50-I73 HydrophobicContact CZ-CD1 4.18Å; F69-I73 HydrophobicContact CD1-CG2 4.04Å; F69-I73 HydrophobicContact CE1-CD1 4.07Å; F69-I73 HydrophobicContact CE1-CG2 4.41Å; F69-I73 HydrophobicContact CG-CG2 4.29Å; I73-H75 HydrophobicContact CD1-CB 4.5Å; I73-H75 HydrophobicContact CG1-CB 4.3Å; I73-I78 HydrophobicContact CD1-CD1 4.18Å; I73-I78 HydrophobicContact CG2-CB 3.95Å; I73-I78 HydrophobicContact CG2-CD1 3.88Å; I73-I78 HydrophobicContact CG2-CG2 3.61Å; I73-L110 HydrophobicContact CD1-CD2 3.52Å
74Y98.1Very high97.6Very high40 Ų4039.1 Ų39.116%0.15721%0.214CC..  trans-96.5101.5173.2-166.2-104.6000109.1Y45 V123 Q126 Y134 L137 A138 W141Y45-Y74 PolarHBondContact OH-O 2.94Å; Y74-V123 HydrophobicContact CD1-CG1 4.04Å; Y74-V123 HydrophobicContact CD2-CG2 4.31Å; Y74-V123 HydrophobicContact CE1-CG1 3.67Å; Y74-V123 HydrophobicContact CE1-CG2 4.35Å; Y74-V123 HydrophobicContact CE2-CG1 4.39Å; Y74-V123 HydrophobicContact CE2-CG2 3.65Å; Y74-Q126 PolarHBondContact OH-OE1 2.78Å; Y74-Y134 HydrophobicContact CD1-CD2 4.13Å; Y74-Y134 HydrophobicContact CD1-CE2 4.07Å; Y74-Y134 AromaticContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CE2 4.18Å; Y74-L137 HydrophobicContact CD1-CB 4.17Å; Y74-L137 HydrophobicContact CE1-CB 4.06Å; Y74-L137 HydrophobicContact CE1-CD1 4.37Å; Y74-A138 HydrophobicContact CD1-CB 4.28Å; Y74-W141 HydrophobicContact CD2-CD2 4.35Å; Y74-W141 HydrophobicContact CD2-CZ2 4.19Å
75H98.4Very high97.5Very high1 Ų137.6 Ų37.61%0.00521%0.205CC..BIsolated β-bridgetrans-153.1141.5-173.7-172.4-83.2000111.4Y45 I73 N77 I78 L109 P113Y45-H75 AromaticContact CZ-CD2 3.86Å; Y45-H75 PolarHBondContact OH-CD2 2.74Å; I73-H75 HydrophobicContact CD1-CB 4.5Å; I73-H75 HydrophobicContact CG1-CB 4.3Å; H75-N77 VanDerWaalsContact C-N 3.34Å; H75-N77 PolarHBondContact CE1-OD1 2.73Å; H75-N77 PolarHBondContact ND1-N 2.73Å; H75-N77 PolarHBondContact O-N 3.19Å; H75-I78 HydrophobicContact CB-CB 4.14Å; H75-I78 HydrophobicContact CB-CD1 4.02Å; H75-I78 HydrophobicContact CB-CG1 4.26Å; H75-I78 PolarHBondContact O-N 3.31Å; H75-L109 PolarHBondContact NE2-O 3.46Å; H75-P113 WeakPolarHBondContact NE2-CG 3.36Å
76P97.9Very high97.3Very high0 Ų038.2 Ų38.20%021%0.208CC..THydrogen-bonded Turntrans-58.7-39.4-178.3-26.234.6000114.6P113 P118 L119 C120 V123 A124 Y127 Y134P76-P113 HydrophobicContact CB-CB 4.43Å; P76-P113 HydrophobicContact CG-CB 3.84Å; P76-P118 HydrophobicContact CB-CB 4.46Å; P76-P118 WeakPolarHBondContact O-CA 3.39Å; P76-P118 WeakPolarHBondContact O-CB 3.37Å; P76-L119 PolarHBondContact O-N 2.92Å; P76-C120 PolarHBondContact O-N 2.73Å; P76-V123 HydrophobicContact CG-CG1 4.04Å; P76-A124 HydrophobicContact CB-CB 4.03Å; P76-Y127 HydrophobicContact CG-CD2 4.48Å; P76-Y127 HydrophobicContact CG-CG 4.23Å; P76-Y134 WeakPolarHBondContact CD-OH 3.47Å; P76-Y134 HydrophobicContact CG-CE2 4.19Å
77N98.3Very high97.2Very high0 Ų035.7 Ų35.70%020%0.201CC..THydrogen-bonded Turntrans-96.86.1-175.8-52.297000114.4H75 C85 L109 N114 D117 L119H75-N77 VanDerWaalsContact C-N 3.34Å; H75-N77 PolarHBondContact CE1-OD1 2.73Å; H75-N77 PolarHBondContact ND1-N 2.73Å; H75-N77 PolarHBondContact O-N 3.19Å; N77-C85 HydrophobicContact CB-CB 4.23Å; N77-C85 PolarHBondContact O-N 2.84Å; N77-L109 HydrophobicContact CB-CD1 4.09Å; N77-L109 HydrophobicContact CB-CD2 4.04Å; N77-L109 HydrophobicContact CB-CG 4.38Å; N77-N114 PolarHBondContact ND2-O 2.68Å; N77-N114 PolarHBondContact OD1-N 2.92Å; N77-N114 PolarHBondContact OD1-O 3.45Å; N77-D117 PolarHBondContact ND2-O 3.13Å; N77-L119 WeakPolarHBondContact O-CD1 3.18Å
78I98.3Very high97Very high2 Ų236.3 Ų36.31%0.0120%0.204CC..BIsolated β-bridgetrans-126.2122.8177.9-54163.2000108F69 I73 H75 S83 I84 L110 C120F69-I78 HydrophobicContact CB-CG2 4.34Å; F69-I78 HydrophobicContact CD2-CD1 3.9Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.29Å; F69-I78 HydrophobicContact CE2-CD1 3.4Å; F69-I78 VanDerWaalsContact CE2-CD1 3.4Å; F69-I78 HydrophobicContact CE2-CG1 4.16Å; F69-I78 HydrophobicContact CE2-CG2 4.5Å; F69-I78 HydrophobicContact CG-CG2 4.19Å; F69-I78 HydrophobicContact CZ-CD1 3.63Å; I73-I78 HydrophobicContact CD1-CD1 4.18Å; I73-I78 HydrophobicContact CG2-CB 3.95Å; I73-I78 HydrophobicContact CG2-CD1 3.88Å; I73-I78 HydrophobicContact CG2-CG2 3.61Å; H75-I78 HydrophobicContact CB-CB 4.14Å; H75-I78 HydrophobicContact CB-CD1 4.02Å; H75-I78 HydrophobicContact CB-CG1 4.26Å; H75-I78 PolarHBondContact O-N 3.31Å; I78-S83 VanDerWaalsContact CA-O 3.32Å; I78-S83 WeakPolarHBondContact CA-O 3.34Å; I78-I84 HydrophobicContact CG1-CG1 4.45Å; I78-I84 HydrophobicContact CG1-CG2 4.44Å; I78-L110 HydrophobicContact CD1-CD2 3.84Å; I78-C120 PolarHBondContact O-SG 3.14Å
79N96Very high96.9Very high39 Ų3936 Ų3621%0.20920%0.201CC..  trans-86.2167.9-178.775.96.2000112.4S81 G82 S83 L119N79-S81 PolarHBondContact ND2-OG 2.85Å; N79-S81 PolarHBondContact O-N 3.31Å; N79-S81 VanDerWaalsContact O-N 3.08Å; N79-S81 PolarHBondContact OD1-N 3.2Å; N79-S81 VanDerWaalsContact OD1-N 3.16Å; N79-S81 PolarHBondContact OD1-OG 2.95Å; N79-G82 WeakPolarHBondContact O-CA 3.32Å; N79-G82 PolarHBondContact O-N 3.03Å; N79-G82 PolarHBondContact OD1-N 3.31Å; N79-G82 VanDerWaalsContact OD1-N 3.14Å; N79-S83 PolarHBondContact N-O 3.23Å; N79-S83 WeakPolarHBondContact OD1-CB 3.42Å; N79-S83 PolarHBondContact OD1-N 3.46Å; N79-L119 HydrophobicContact CB-CB 3.99Å; N79-L119 HydrophobicContact CB-CD1 4.24Å
80P94.7Very high96.6Very high114 Ų11441.5 Ų41.574%0.7422%0.221SC*.THydrogen-bonded Turntrans-61-18.2179.7-27.236.8000115.4G82P80-G82 VanDerWaalsContact C-N 3.28Å
81S95.9Very high96.3Very high85 Ų8540.9 Ų40.959%0.59424%0.237SC*.THydrogen-bonded Turntrans-873172.468.30000113.4N79 S83N79-S81 PolarHBondContact ND2-OG 2.85Å; N79-S81 PolarHBondContact O-N 3.31Å; N79-S81 VanDerWaalsContact O-N 3.08Å; N79-S81 PolarHBondContact OD1-N 3.2Å; N79-S81 VanDerWaalsContact OD1-N 3.16Å; N79-S81 PolarHBondContact OD1-OG 2.95Å; S81-S83 PolarHBondContact OG-OG 3.27Å
82G97.2Very high96.2Very high5 Ų546 Ų465%0.05226%0.26CS..  trans82.95.417800000115S68 F69 N79 P80S68-G82 CarbonylContact C-O 3.58Å; S68-G82 WeakPolarHBondContact CA-O 3.48Å; S68-G82 WeakPolarHBondContact CB-O 3.49Å; F69-G82 PolarHBondContact N-O 3.4Å; F69-G82 WeakPolarHBondContact O-CA 3.23Å; N79-G82 WeakPolarHBondContact O-CA 3.32Å; N79-G82 PolarHBondContact O-N 3.03Å; N79-G82 PolarHBondContact OD1-N 3.31Å; N79-G82 VanDerWaalsContact OD1-N 3.14Å; P80-G82 VanDerWaalsContact C-N 3.28Å
83S97.4Very high96.2Very high47 Ų4741.9 Ų41.933%0.32924%0.241SC..BIsolated β-bridgetrans-68.4142.4176.6-52.10000110.5I78 N79 S81 L119I78-S83 VanDerWaalsContact CA-O 3.32Å; I78-S83 WeakPolarHBondContact CA-O 3.34Å; N79-S83 PolarHBondContact N-O 3.23Å; N79-S83 WeakPolarHBondContact OD1-CB 3.42Å; N79-S83 PolarHBondContact OD1-N 3.46Å; S81-S83 PolarHBondContact OG-OG 3.27Å; S83-L119 WeakPolarHBondContact O-CD1 3.5Å
84I97.4Very high96.2Very high10 Ų1043.8 Ų43.85%0.05126%0.256CS..BIsolated β-bridgetrans-110.9134.5-175-49.8170.9000109.5L52 I67 F69 I78 L86 L89 R90 I106 L109L52-I84 HydrophobicContact CD2-CD1 4.25Å; I67-I84 HydrophobicContact CB-CD1 4.45Å; I67-I84 HydrophobicContact CG2-CD1 3.95Å; F69-I84 HydrophobicContact CD2-CD1 3.71Å; F69-I84 HydrophobicContact CD2-CG1 3.79Å; F69-I84 HydrophobicContact CE2-CD1 3.61Å; F69-I84 HydrophobicContact CE2-CG1 3.94Å; I78-I84 HydrophobicContact CG1-CG1 4.45Å; I78-I84 HydrophobicContact CG1-CG2 4.44Å; I84-L86 HydrophobicContact CG2-CB 3.89Å; I84-L89 HydrophobicContact CB-CD1 4.32Å; I84-L89 HydrophobicContact CD1-CD1 4.44Å; I84-R90 PolarHBondContact O-NH2 2.87Å; I84-I106 HydrophobicContact CD1-CD1 3.86Å; I84-I106 HydrophobicContact CD1-CG1 4.27Å; I84-L109 HydrophobicContact CG2-CD2 3.73Å
85C95.4Very high96.1Very high9 Ų944.3 Ų44.36%0.06126%0.264CS..  trans-93.795.2163.3-168.40000109.1N77 R90 D117 L119N77-C85 HydrophobicContact CB-CB 4.23Å; N77-C85 PolarHBondContact O-N 2.84Å; C85-R90 PolarHBondContact SG-NH1 2.95Å; C85-D117 PolarHBondContact SG-O 3.45Å; C85-D117 PolarHBondContact SG-OD2 3.41Å; C85-L119 HydrophobicContact CB-CD1 4.01Å; C85-L119 HydrophobicContact CB-CD2 4.02Å; C85-L119 HydrophobicContact CB-CG 3.66Å
86L94.8Very high96Very high18 Ų1847.6 Ų47.69%0.09429%0.291CS..  trans-138.4126174.8-174.365.7000107.1I84 I88 L89 I106 L109I84-L86 HydrophobicContact CG2-CB 3.89Å; L86-I88 VanDerWaalsContact C-N 3.34Å; L86-I88 HydrophobicContact CD2-CD1 3.99Å; L86-I88 HydrophobicContact CD2-CG1 3.65Å; L86-I88 HydrophobicContact CG-CG1 3.71Å; L86-I88 PolarHBondContact O-N 3.14Å; L86-L89 HydrophobicContact CB-CD1 4.17Å; L86-L89 HydrophobicContact CB-CG 4.33Å; L86-L89 HydrophobicContact CD2-CD1 4.31Å; L86-L89 HydrophobicContact CD2-CG 4.3Å; L86-L89 WeakPolarHBondContact O-CB 3.49Å; L86-L89 PolarHBondContact O-N 3.44Å; L86-L89 VanDerWaalsContact O-N 3.08Å; L86-I106 HydrophobicContact CD2-CG1 3.83Å; L86-L109 HydrophobicContact CD1-CD2 4.41Å
87D94Very high96Very high94 Ų9449 Ų4950%0.50330%0.299SS..G310 helixtrans-61.2-38.2-172.562.3-21.8000113.1L89 R90 G91 Q92D87-L89 PolarHBondContact O-N 3.33Å; D87-R90 CarbonylContact O-C 3.33Å; D87-R90 WeakPolarHBondContact O-CA 3.37Å; D87-R90 PolarHBondContact O-N 2.89Å; D87-G91 PolarHBondContact O-N 3.25Å; D87-Q92 HydrophobicContact CB-CB 4.25Å; D87-Q92 HydrophobicContact CB-CG 3.98Å; D87-Q92 PolarHBondContact O-N 3.28Å
88I95.4Very high95.9Very high23 Ų2350.8 Ų50.812%0.11831%0.309CS..G310 helixtrans-66.7-18.6176.864.1159.3000112.9L86 R90 Q92 W93 L97 V102 S105L86-I88 VanDerWaalsContact C-N 3.34Å; L86-I88 HydrophobicContact CD2-CD1 3.99Å; L86-I88 HydrophobicContact CD2-CG1 3.65Å; L86-I88 HydrophobicContact CG-CG1 3.71Å; L86-I88 PolarHBondContact O-N 3.14Å; I88-R90 VanDerWaalsContact C-N 3.26Å; I88-Q92 HydrophobicContact CG2-CB 4.29Å; I88-W93 VanDerWaalsContact O-CA 3.22Å; I88-W93 WeakPolarHBondContact O-CA 3.21Å; I88-W93 VanDerWaalsContact O-CB 3.27Å; I88-W93 WeakPolarHBondContact O-CB 3.45Å; I88-W93 VanDerWaalsContact O-CE3 3.29Å; I88-W93 PolarHBondContact O-N 2.83Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CD1-CD1 4.49Å; I88-L97 HydrophobicContact CG2-CD1 4.19Å; I88-V102 HydrophobicContact CD1-CB 4.42Å; I88-V102 HydrophobicContact CD1-CG2 4.04Å; I88-S105 WeakPolarHBondContact CD1-OG 3.4Å
89L94.9Very high95.8Very high23 Ų2350.7 Ų50.712%0.1231%0.309CS..G310 helixtrans-86.41.9171.2-64.9177.8000112.5I67 I84 L86 D87 V102I67-L89 HydrophobicContact CB-CD1 4.28Å; I67-L89 HydrophobicContact CD1-CD2 4.05Å; I67-L89 HydrophobicContact CG1-CD2 4.24Å; I84-L89 HydrophobicContact CB-CD1 4.32Å; I84-L89 HydrophobicContact CD1-CD1 4.44Å; L86-L89 HydrophobicContact CB-CD1 4.17Å; L86-L89 HydrophobicContact CB-CG 4.33Å; L86-L89 HydrophobicContact CD2-CD1 4.31Å; L86-L89 HydrophobicContact CD2-CG 4.3Å; L86-L89 WeakPolarHBondContact O-CB 3.49Å; L86-L89 PolarHBondContact O-N 3.44Å; L86-L89 VanDerWaalsContact O-N 3.08Å; D87-L89 PolarHBondContact O-N 3.33Å; L89-V102 HydrophobicContact CD2-CG1 3.74Å
90R91.9Very high95.8Very high124 Ų12450.3 Ų50.347%0.46831%0.309SS..THydrogen-bonded Turntrans-133.8-116-174.5-58.8179.9-176.7178.62.6110.2I84 C85 D87 I88 Q92 W93I84-R90 PolarHBondContact O-NH2 2.87Å; C85-R90 PolarHBondContact SG-NH1 2.95Å; D87-R90 CarbonylContact O-C 3.33Å; D87-R90 WeakPolarHBondContact O-CA 3.37Å; D87-R90 PolarHBondContact O-N 2.89Å; I88-R90 VanDerWaalsContact C-N 3.26Å; R90-Q92 VanDerWaalsContact C-N 3.31Å; R90-Q92 PolarHBondContact O-N 2.63Å; R90-W93 PolarHBondContact O-N 2.73Å
91G92.5Very high95.9Very high76 Ų7650 Ų5078%0.78430%0.296SS*.THydrogen-bonded Turntrans-71.8-20.1-173.200000114.6D87D87-G91 PolarHBondContact O-N 3.25Å
92Q96.2Very high95.9Very high127 Ų12746 Ų4659%0.59327%0.268SS*.THydrogen-bonded Turntrans-99.511.8177.9-59.5-61.7-21.500112.7D87 I88 R90 S94D87-Q92 HydrophobicContact CB-CB 4.25Å; D87-Q92 HydrophobicContact CB-CG 3.98Å; D87-Q92 PolarHBondContact O-N 3.28Å; I88-Q92 HydrophobicContact CG2-CB 4.29Å; R90-Q92 VanDerWaalsContact C-N 3.31Å; R90-Q92 PolarHBondContact O-N 2.63Å; Q92-S94 PolarHBondContact O-N 3.09Å
93W97.7Very high95.9Very high31 Ų3145.8 Ų45.812%0.11727%0.266CS..  trans-63.2131.3172.4177.4-101.5000110.4Y60 P61 P64 P65 I88 R90 L97 V102Y60-W93 HydrophobicContact CD2-CZ2 4.25Å; Y60-W93 AromaticContact CE2-CH2 3.7Å; Y60-W93 HydrophobicContact CE2-CH2 3.7Å; Y60-W93 AromaticContact CE2-CZ2 3.54Å; Y60-W93 HydrophobicContact CE2-CZ2 3.54Å; P61-W93 HydrophobicContact CB-CZ2 4.47Å; P61-W93 PolarHBondContact O-NE1 3.14Å; P64-W93 VanDerWaalsContact CA-CE2 3.49Å; P64-W93 HydrophobicContact CB-CB 4.02Å; P64-W93 HydrophobicContact CB-CD2 3.5Å; P64-W93 HydrophobicContact CB-CE3 3.74Å; P64-W93 HydrophobicContact CB-CG 3.6Å; P64-W93 HydrophobicContact CB-CZ3 4.45Å; P64-W93 HydrophobicContact CG-CB 4.19Å; P64-W93 HydrophobicContact CG-CD2 4.45Å; P64-W93 HydrophobicContact CG-CG 4.06Å; P65-W93 HydrophobicContact CG-CH2 4.37Å; P65-W93 HydrophobicContact CG-CZ3 4.42Å; I88-W93 VanDerWaalsContact O-CA 3.22Å; I88-W93 WeakPolarHBondContact O-CA 3.21Å; I88-W93 VanDerWaalsContact O-CB 3.27Å; I88-W93 WeakPolarHBondContact O-CB 3.45Å; I88-W93 VanDerWaalsContact O-CE3 3.29Å; I88-W93 PolarHBondContact O-N 2.83Å; R90-W93 PolarHBondContact O-N 2.73Å; W93-L97 HydrophobicContact CD2-CD1 4.5Å; W93-L97 HydrophobicContact CE3-CB 4.23Å; W93-L97 HydrophobicContact CE3-CD1 3.87Å; W93-L97 HydrophobicContact CH2-CB 4.09Å; W93-L97 HydrophobicContact CZ3-CB 3.82Å; W93-L97 HydrophobicContact CZ3-CD1 4.22Å; W93-V102 HydrophobicContact CZ3-CG2 3.81Å
94S97.3Very high95.8Very high52 Ų5247.2 Ų47.236%0.36427%0.269SS..  trans-125.4140171171.30000109.4Q92 A96 L97Q92-S94 PolarHBondContact O-N 3.09Å; S94-A96 PolarHBondContact O-N 3.14Å; S94-A96 PolarHBondContact OG-N 3.41Å; S94-L97 WeakPolarHBondContact O-CB 3.35Å; S94-L97 PolarHBondContact O-N 3.14Å
95P96.8Very high95.8Very high51 Ų5148.8 Ų48.833%0.33128%0.281SS..THydrogen-bonded Turntrans-56.1-15.4172.8-26.235.1000114.6R5 P61 F62R5-P95 PolarHBondContact NH1-O 3.03Å; R5-P95 PolarHBondContact NH2-O 3.33Å; P61-P95 HydrophobicContact CB-CB 4.23Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.49Å; F62-P95 HydrophobicContact CD1-CG 4.32Å
96A96.6Very high95.8Very high69 Ų6948.3 Ų48.357%0.5728%0.278SS*.THydrogen-bonded Turntrans-80.3-12.7174.800000114S94S94-A96 PolarHBondContact O-N 3.14Å; S94-A96 PolarHBondContact OG-N 3.41Å
97L97.2Very high95.9Very high31 Ų3148.2 Ų48.216%0.16228%0.278CS..  trans-74.3145.9173.2-65.9173.4000110.4R5 I88 W93 S94 K101R5-L97 PolarHBondContact NH2-O 3.27Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CD1-CD1 4.49Å; I88-L97 HydrophobicContact CG2-CD1 4.19Å; W93-L97 HydrophobicContact CD2-CD1 4.5Å; W93-L97 HydrophobicContact CE3-CB 4.23Å; W93-L97 HydrophobicContact CE3-CD1 3.87Å; W93-L97 HydrophobicContact CH2-CB 4.09Å; W93-L97 HydrophobicContact CZ3-CB 3.82Å; W93-L97 HydrophobicContact CZ3-CD1 4.22Å; S94-L97 WeakPolarHBondContact O-CB 3.35Å; S94-L97 PolarHBondContact O-N 3.14Å; L97-K101 HydrophobicContact CD2-CD 4.27Å
98T96.1Very high96Very high37 Ų3747 Ų4723%0.22728%0.277CS..  trans-117.8161.517860.60000109.7E9 S100 K101 V102E9-T98 HydrophobicContact CG-CG2 4.48Å; E9-T98 VanDerWaalsContact OE2-CA 3.23Å; E9-T98 WeakPolarHBondContact OE2-CA 3.43Å; E9-T98 VanDerWaalsContact OE2-CB 3.3Å; E9-T98 WeakPolarHBondContact OE2-CB 3.34Å; T98-S100 PolarHBondContact O-N 3.32Å; T98-K101 PolarHBondContact O-N 2.65Å; T98-K101 VanDerWaalsContact O-N 3.14Å; T98-K101 PolarHBondContact OG1-N 2.79Å; T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.19Å; T98-V102 PolarHBondContact O-N 3.14Å
99I96.9Very high96Very high0 Ų046.6 Ų46.60%028%0.275CS..Hα-helixtrans-55.9-40173.3-63.8-55.7000111.1E9 L13 A23 W33 I54 F56 P65 K101 V102 L103E9-I99 PolarHBondContact OE2-N 2.88Å; L13-I99 HydrophobicContact CD1-CB 4.45Å; L13-I99 HydrophobicContact CD1-CG2 4.24Å; A23-I99 HydrophobicContact CB-CG2 4.4Å; W33-I99 HydrophobicContact CE3-CG2 4.33Å; W33-I99 HydrophobicContact CZ3-CB 4.22Å; W33-I99 HydrophobicContact CZ3-CG1 4.04Å; W33-I99 HydrophobicContact CZ3-CG2 4.14Å; I54-I99 HydrophobicContact CD1-CG2 3.82Å; I54-I99 HydrophobicContact CG2-CD1 4.03Å; F56-I99 HydrophobicContact CE1-CD1 3.63Å; F56-I99 HydrophobicContact CE1-CG1 3.7Å; F56-I99 HydrophobicContact CZ-CD1 3.86Å; F56-I99 HydrophobicContact CZ-CG1 3.72Å; P65-I99 HydrophobicContact CB-CD1 4.3Å; P65-I99 HydrophobicContact CG-CD1 3.76Å; I99-K101 PolarHBondContact O-N 3Å; I99-V102 PolarHBondContact O-N 3.05Å; I99-L103 HydrophobicContact CG2-CD1 3.88Å; I99-L103 HydrophobicContact CG2-CG 4.12Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.47Å; I99-L103 PolarHBondContact O-N 2.93Å
100S95.7Very high96.1Very high30 Ų3045.6 Ų45.621%0.2127%0.27CS..Hα-helixtrans-56.2-50.2174.9175.90000112.1T98 V102 L103 L104T98-S100 PolarHBondContact O-N 3.32Å; S100-V102 VanDerWaalsContact C-N 3.33Å; S100-V102 PolarHBondContact O-N 2.83Å; S100-L103 PolarHBondContact O-N 3.02Å; S100-L104 WeakPolarHBondContact O-CG 3.07Å; S100-L104 PolarHBondContact O-N 3.21Å
101K95.6Very high96.3Very high109 Ų10943 Ų4347%0.47427%0.268SS..Hα-helixtrans-62.2-40.2176.7-71.1178179.3177.10112.3L97 T98 I99 L104 S105L97-K101 HydrophobicContact CD2-CD 4.27Å; T98-K101 PolarHBondContact O-N 2.65Å; T98-K101 VanDerWaalsContact O-N 3.14Å; T98-K101 PolarHBondContact OG1-N 2.79Å; I99-K101 PolarHBondContact O-N 3Å; K101-L104 PolarHBondContact O-N 3.25Å; K101-S105 PolarHBondContact O-N 3.28Å; K101-S105 PolarHBondContact O-OG 3.33Å
102V97.1Very high96.4Very high0 Ų044.6 Ų44.60%026%0.259CS..Hα-helixtrans-63.7-44.3178.3173.70000111.4I67 I88 L89 W93 T98 I99 S100 S105 I106I67-V102 HydrophobicContact CD1-CB 4.49Å; I67-V102 HydrophobicContact CD1-CG1 3.39Å; I88-V102 HydrophobicContact CD1-CB 4.42Å; I88-V102 HydrophobicContact CD1-CG2 4.04Å; L89-V102 HydrophobicContact CD2-CG1 3.74Å; W93-V102 HydrophobicContact CZ3-CG2 3.81Å; T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.19Å; T98-V102 PolarHBondContact O-N 3.14Å; I99-V102 PolarHBondContact O-N 3.05Å; S100-V102 VanDerWaalsContact C-N 3.33Å; S100-V102 PolarHBondContact O-N 2.83Å; V102-S105 PolarHBondContact O-N 3.06Å; V102-I106 HydrophobicContact CG1-CD1 4.03Å; V102-I106 WeakPolarHBondContact O-CG1 3.47Å; V102-I106 PolarHBondContact O-N 3.36Å
103L97.2Very high96.4Very high0 Ų038.9 Ų38.90%023%0.232CC..Hα-helixtrans-63-42.7177.2-68.6174000111.3C21 A23 A35 I37 I99 S100 S105 I106 C107C21-L103 HydrophobicContact CB-CB 4.27Å; C21-L103 HydrophobicContact CB-CD1 4.34Å; A23-L103 HydrophobicContact CB-CD1 3.99Å; A35-L103 HydrophobicContact CB-CD1 4.19Å; A35-L103 HydrophobicContact CB-CD2 3.75Å; I37-L103 HydrophobicContact CD1-CD2 4.18Å; I37-L103 HydrophobicContact CG1-CD2 4.37Å; I99-L103 HydrophobicContact CG2-CD1 3.88Å; I99-L103 HydrophobicContact CG2-CG 4.12Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.47Å; I99-L103 PolarHBondContact O-N 2.93Å; S100-L103 PolarHBondContact O-N 3.02Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-S105 PolarHBondContact O-N 3.32Å; L103-I106 PolarHBondContact O-N 3.33Å; L103-I106 VanDerWaalsContact O-N 3.14Å; L103-C107 PolarHBondContact O-N 2.85Å; L103-C107 PolarHBondContact O-SG 3.48Å; L103-C107 VanDerWaalsContact O-SG 3.33Å
104L95.4Very high96.2Very high78 Ų7840.9 Ų40.941%0.40825%0.245SC..Hα-helixtrans-60.7-41.4174.2-69.1172.5000112.2P18 S100 K101 I106 C107 S108P18-L104 HydrophobicContact CB-CD1 4.37Å; P18-L104 HydrophobicContact CB-CD2 3.87Å; P18-L104 HydrophobicContact CB-CG 3.95Å; S100-L104 WeakPolarHBondContact O-CG 3.07Å; S100-L104 PolarHBondContact O-N 3.21Å; K101-L104 PolarHBondContact O-N 3.25Å; L104-I106 VanDerWaalsContact C-N 3.33Å; L104-I106 PolarHBondContact O-N 3.47Å; L104-C107 WeakPolarHBondContact O-CB 3.42Å; L104-C107 PolarHBondContact O-N 3.3Å; L104-S108 PolarHBondContact O-N 3.04Å
105S96.1Very high96Very high42 Ų4239.4 Ų39.429%0.29424%0.235SC..Hα-helixtrans-64.6-35.8174.3-64.40000112.6I88 K101 V102 L103 S108 L109I88-S105 WeakPolarHBondContact CD1-OG 3.4Å; K101-S105 PolarHBondContact O-N 3.28Å; K101-S105 PolarHBondContact O-OG 3.33Å; V102-S105 PolarHBondContact O-N 3.06Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-S105 PolarHBondContact O-N 3.32Å; S105-S108 PolarHBondContact O-N 2.89Å; S105-L109 WeakPolarHBondContact O-CB 3.47Å; S105-L109 PolarHBondContact O-N 3.39Å
106I97.2Very high95.8Very high0 Ų043.1 Ų43.10%025%0.252CS..Hα-helixtrans-67.6-41.3173.7-65.5164.8000110.6I37 L52 I67 F69 I84 L86 V102 L103 L104 S108 L109 L110I37-I106 HydrophobicContact CD1-CB 3.91Å; I37-I106 HydrophobicContact CD1-CG2 3.5Å; I37-I106 VanDerWaalsContact CD1-CG2 3.5Å; L52-I106 HydrophobicContact CD2-CD1 4.01Å; L52-I106 HydrophobicContact CD2-CG2 4.3Å; I67-I106 HydrophobicContact CD1-CD1 4.39Å; I67-I106 HydrophobicContact CG2-CD1 4.05Å; F69-I106 HydrophobicContact CE2-CG2 3.85Å; F69-I106 HydrophobicContact CZ-CG2 3.81Å; I84-I106 HydrophobicContact CD1-CD1 3.86Å; I84-I106 HydrophobicContact CD1-CG1 4.27Å; L86-I106 HydrophobicContact CD2-CG1 3.83Å; V102-I106 HydrophobicContact CG1-CD1 4.03Å; V102-I106 WeakPolarHBondContact O-CG1 3.47Å; V102-I106 PolarHBondContact O-N 3.36Å; L103-I106 PolarHBondContact O-N 3.33Å; L103-I106 VanDerWaalsContact O-N 3.14Å; L104-I106 VanDerWaalsContact C-N 3.33Å; L104-I106 PolarHBondContact O-N 3.47Å; I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 3.37Å; I106-L109 WeakPolarHBondContact O-CB 3.49Å; I106-L109 PolarHBondContact O-N 2.97Å; I106-L109 VanDerWaalsContact O-N 3.14Å; I106-L110 WeakPolarHBondContact O-CG 3.35Å; I106-L110 PolarHBondContact O-N 2.85Å; I106-L110 VanDerWaalsContact O-N 3.09Å
107C96Very high95.6Very high15 Ų1544 Ų4410%0.10125%0.247CC..Hα-helixtrans-59.3-45173.9-67.40000112C21 I37 L103 L104 L109 L110 T111C21-C107 PolarHBondContact SG-SG 3.19Å; I37-C107 WeakPolarHBondContact CG2-SG 3.34Å; L103-C107 PolarHBondContact O-N 2.85Å; L103-C107 PolarHBondContact O-SG 3.48Å; L103-C107 VanDerWaalsContact O-SG 3.33Å; L104-C107 WeakPolarHBondContact O-CB 3.42Å; L104-C107 PolarHBondContact O-N 3.3Å; C107-L109 VanDerWaalsContact C-N 3.26Å; C107-L109 PolarHBondContact O-N 2.94Å; C107-L110 WeakPolarHBondContact O-CB 3.34Å; C107-L110 PolarHBondContact O-N 3.45Å; C107-L110 VanDerWaalsContact O-N 3.13Å; C107-T111 PolarHBondContact O-N 2.95Å
108S95.5Very high95.4Very high69 Ų6944.2 Ų44.248%0.48325%0.25SC..Hα-helixtrans-59.5-39.7174.9-170.60000111.6L104 S105 I106 L110 T111 D112L104-S108 PolarHBondContact O-N 3.04Å; S105-S108 PolarHBondContact O-N 2.89Å; I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 3.37Å; S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 PolarHBondContact O-N 3.35Å; S108-T111 PolarHBondContact O-N 3.14Å; S108-T111 PolarHBondContact O-OG1 2.95Å; S108-D112 PolarHBondContact O-N 3.49Å
109L96.5Very high95.4Very high14 Ų1445 Ų457%0.07325%0.253CS..Hα-helixtrans-62-36.2177.1-176.866.6000111.7H75 N77 I84 L86 S105 I106 C107 T111 D112H75-L109 PolarHBondContact NE2-O 3.46Å; N77-L109 HydrophobicContact CB-CD1 4.09Å; N77-L109 HydrophobicContact CB-CD2 4.04Å; N77-L109 HydrophobicContact CB-CG 4.38Å; I84-L109 HydrophobicContact CG2-CD2 3.73Å; L86-L109 HydrophobicContact CD1-CD2 4.41Å; S105-L109 WeakPolarHBondContact O-CB 3.47Å; S105-L109 PolarHBondContact O-N 3.39Å; I106-L109 WeakPolarHBondContact O-CB 3.49Å; I106-L109 PolarHBondContact O-N 2.97Å; I106-L109 VanDerWaalsContact O-N 3.14Å; C107-L109 VanDerWaalsContact C-N 3.26Å; C107-L109 PolarHBondContact O-N 2.94Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 3.46Å; L109-D112 CarbonylContact O-C 3.58Å; L109-D112 VanDerWaalsContact O-C 3.27Å; L109-D112 PolarHBondContact O-N 3.18Å
110L96.9Very high95.4Very high3 Ų346 Ų462%0.01626%0.259CS..Hα-helixtrans-63.5-37.1176.5-62.6-173.6000112.4I37 P40 Y45 F69 I73 I78 I106 C107 S108I37-L110 HydrophobicContact CG2-CD1 4Å; P40-L110 HydrophobicContact CG-CB 4.38Å; Y45-L110 HydrophobicContact CD2-CB 3.9Å; Y45-L110 HydrophobicContact CE2-CB 4.16Å; Y45-L110 WeakPolarHBondContact CE2-O 3.45Å; F69-L110 HydrophobicContact CZ-CD2 4.19Å; I73-L110 HydrophobicContact CD1-CD2 3.52Å; I78-L110 HydrophobicContact CD1-CD2 3.84Å; I106-L110 WeakPolarHBondContact O-CG 3.35Å; I106-L110 PolarHBondContact O-N 2.85Å; I106-L110 VanDerWaalsContact O-N 3.09Å; C107-L110 WeakPolarHBondContact O-CB 3.34Å; C107-L110 PolarHBondContact O-N 3.45Å; C107-L110 VanDerWaalsContact O-N 3.13Å; S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 PolarHBondContact O-N 3.35Å
111T94.8Very high95.4Very high68 Ų6848.8 Ų48.842%0.41728%0.277SS..Hα-helixtrans-84.1-30.8178.146.30000113.4P40 C107 S108 L109 P113P40-T111 HydrophobicContact CB-CG2 3.49Å; P40-T111 VanDerWaalsContact CB-CG2 3.49Å; P40-T111 HydrophobicContact CG-CG2 3.85Å; C107-T111 PolarHBondContact O-N 2.95Å; S108-T111 PolarHBondContact O-N 3.14Å; S108-T111 PolarHBondContact O-OG1 2.95Å; L109-T111 VanDerWaalsContact C-N 3.32Å; L109-T111 PolarHBondContact O-N 3.46Å; T111-P113 VanDerWaalsContact C-CD 3.49Å; T111-P113 WeakPolarHBondContact O-CD 3.26Å
112D95.3Very high95.4Very high111 Ų11148.7 Ų48.759%0.59428%0.281SS*.SBendtrans-126.876.5-178.9-167.822.3000111S108 L109S108-D112 PolarHBondContact O-N 3.49Å; L109-D112 CarbonylContact O-C 3.58Å; L109-D112 VanDerWaalsContact O-C 3.27Å; L109-D112 PolarHBondContact O-N 3.18Å
113P95.9Very high95.5Very high6 Ų649.3 Ų49.34%0.03929%0.285CS..  trans-58.5146.2174.9-22.630.4000111.9H75 P76 T111 P115 Y127H75-P113 WeakPolarHBondContact NE2-CG 3.36Å; P76-P113 HydrophobicContact CB-CB 4.43Å; P76-P113 HydrophobicContact CG-CB 3.84Å; T111-P113 VanDerWaalsContact C-CD 3.49Å; T111-P113 WeakPolarHBondContact O-CD 3.26Å; P113-P115 WeakPolarHBondContact O-CD 3.44Å; P113-Y127 HydrophobicContact CB-CE1 4.39Å; P113-Y127 HydrophobicContact CB-CE2 4.19Å; P113-Y127 WeakPolarHBondContact CD-OH 3.14Å; P113-Y127 HydrophobicContact CG-CD2 4.31Å; P113-Y127 HydrophobicContact CG-CE2 3.66Å
114N94.2Very high95.5Very high73 Ų7349.5 Ų49.539%0.3929%0.286SS..  trans-98.989.7170.6179.1-0.5000110.7N77 D116 D117N77-N114 PolarHBondContact ND2-O 2.68Å; N77-N114 PolarHBondContact OD1-N 2.92Å; N77-N114 PolarHBondContact OD1-O 3.45Å; N114-D116 PolarHBondContact O-N 3.08Å; N114-D116 VanDerWaalsContact O-N 3.17Å; N114-D116 WeakPolarHBondContact OD1-CB 3.43Å; N114-D116 PolarHBondContact OD1-N 3.26Å; N114-D117 PolarHBondContact O-N 2.98Å; N114-D117 PolarHBondContact OD1-N 3.41Å
115P93.2Very high95.6Very high21 Ų2153.1 Ų53.114%0.13630%0.295CS..THydrogen-bonded Turntrans-73.90.4-179.834.8-41.6000114.3P113 A124 Y127 K128P113-P115 WeakPolarHBondContact O-CD 3.44Å; P115-A124 HydrophobicContact CB-CB 4.03Å; P115-Y127 HydrophobicContact CB-CD1 3.86Å; P115-Y127 HydrophobicContact CB-CE1 4.39Å; P115-Y127 HydrophobicContact CG-CD1 3.87Å; P115-Y127 HydrophobicContact CG-CE1 3.94Å; P115-K128 HydrophobicContact CB-CD 3.92Å; P115-K128 VanDerWaalsContact CB-CE 3.49Å; P115-K128 HydrophobicContact CB-CG 3.91Å; P115-K128 HydrophobicContact CG-CD 4.26Å; P115-K128 VanDerWaalsContact CG-CE 3.49Å; P115-K128 HydrophobicContact CG-CG 4.08Å; P115-K128 PolarHBondContact O-NZ 3Å
116D92.7Very high95.7Very high130 Ų13052.9 Ų52.970%0.69529%0.289SS*.THydrogen-bonded Turntrans-90.8-21177-63.9-35.7000112.9N114 P118 K128N114-D116 PolarHBondContact O-N 3.08Å; N114-D116 VanDerWaalsContact O-N 3.17Å; N114-D116 WeakPolarHBondContact OD1-CB 3.43Å; N114-D116 PolarHBondContact OD1-N 3.26Å; D116-P118 VanDerWaalsContact C-CD 3.42Å; D116-K128 WeakPolarHBondContact OD1-CE 3.32Å; D116-K128 IonicContact OD1-NZ 2.67Å; D116-K128 PolarHBondContact OD1-NZ 3.4Å
117D91.6Very high95.7Very high87 Ų8754.4 Ų54.447%0.46530%0.295SS..SBendtrans-127.463.2170-170.717.6000112.2N77 C85 N114N77-D117 PolarHBondContact ND2-O 3.13Å; C85-D117 PolarHBondContact SG-O 3.45Å; C85-D117 PolarHBondContact SG-OD2 3.41Å; N114-D117 PolarHBondContact O-N 2.98Å; N114-D117 PolarHBondContact OD1-N 3.41Å
118P93.9Very high95.8Very high35 Ų3559.1 Ų59.123%0.22731%0.314CS..  trans-82.8146.4-174.934.3-35.7000113P76 D116 A124P76-P118 HydrophobicContact CB-CB 4.46Å; P76-P118 WeakPolarHBondContact O-CA 3.39Å; P76-P118 WeakPolarHBondContact O-CB 3.37Å; D116-P118 VanDerWaalsContact C-CD 3.42Å; P118-A124 HydrophobicContact CB-CB 3.46Å; P118-A124 VanDerWaalsContact CB-CB 3.46Å; P118-A124 HydrophobicContact CG-CB 3.68Å
119L95.5Very high95.9Very high55 Ų5561.1 Ų61.129%0.28832%0.323SS..SBendtrans-82.6-21.2162.3-64179.9000112.3P76 N77 N79 S83 C85 P121P76-L119 PolarHBondContact O-N 2.92Å; N77-L119 WeakPolarHBondContact O-CD1 3.18Å; N79-L119 HydrophobicContact CB-CB 3.99Å; N79-L119 HydrophobicContact CB-CD1 4.24Å; S83-L119 WeakPolarHBondContact O-CD1 3.5Å; C85-L119 HydrophobicContact CB-CD1 4.01Å; C85-L119 HydrophobicContact CB-CD2 4.02Å; C85-L119 HydrophobicContact CB-CG 3.66Å; L119-P121 WeakPolarHBondContact O-CD 3.38Å
120C96.2Very high95.9Very high20 Ų2064.1 Ų64.114%0.13534%0.339CS..  trans-121.385.1-179.7-65.30000109.4P76 I78 D122 V123 A124P76-C120 PolarHBondContact O-N 2.73Å; I78-C120 PolarHBondContact O-SG 3.14Å; C120-D122 VanDerWaalsContact C-N 3.26Å; C120-D122 PolarHBondContact O-N 3.39Å; C120-V123 HydrophobicContact CB-CB 3.79Å; C120-V123 HydrophobicContact CB-CG2 3.6Å; C120-V123 PolarHBondContact O-N 3.48Å; C120-V123 VanDerWaalsContact O-N 3.07Å; C120-A124 PolarHBondContact O-N 2.84Å
121P96.8Very high95.9Very high88 Ų8868.9 Ų68.957%0.57136%0.357SS*.Hα-helixtrans-56.6-35.9-175.8-28.135.9000114.1L119 A124 R125L119-P121 WeakPolarHBondContact O-CD 3.38Å; P121-A124 PolarHBondContact O-N 2.91Å; P121-R125 WeakPolarHBondContact O-CB 3.34Å; P121-R125 PolarHBondContact O-N 3.46Å
122D96.6Very high96.1Very high108 Ų10872.7 Ų72.758%0.57837%0.368SS*.Hα-helixtrans-65.9-41.1176.8-72.8-45.2000112.7C120 R125 Q126C120-D122 VanDerWaalsContact C-N 3.26Å; C120-D122 PolarHBondContact O-N 3.39Å; D122-R125 PolarHBondContact O-N 3.22Å; D122-R125 IonicContact OD1-CZ 2.68Å; D122-R125 IonicContact OD1-NE 3.56Å; D122-R125 IonicContact OD1-NH2 2.73Å; D122-R125 PolarHBondContact OD1-NH2 2.9Å; D122-Q126 PolarHBondContact O-N 3.35Å
123V97.5Very high96.2Very high13 Ų1370.9 Ų70.98%0.07936%0.355CS..Hα-helixtrans-67.8-41.8177.2-1750000109.9Y74 P76 C120 Q126 Y127 Y134Y74-V123 HydrophobicContact CD1-CG1 4.04Å; Y74-V123 HydrophobicContact CD2-CG2 4.31Å; Y74-V123 HydrophobicContact CE1-CG1 3.67Å; Y74-V123 HydrophobicContact CE1-CG2 4.35Å; Y74-V123 HydrophobicContact CE2-CG1 4.39Å; Y74-V123 HydrophobicContact CE2-CG2 3.65Å; P76-V123 HydrophobicContact CG-CG1 4.04Å; C120-V123 HydrophobicContact CB-CB 3.79Å; C120-V123 HydrophobicContact CB-CG2 3.6Å; C120-V123 PolarHBondContact O-N 3.48Å; C120-V123 VanDerWaalsContact O-N 3.07Å; V123-Q126 PolarHBondContact O-N 2.82Å; V123-Y127 VanDerWaalsContact O-CB 3.31Å; V123-Y127 WeakPolarHBondContact O-CB 3.22Å; V123-Y127 PolarHBondContact O-N 3.28Å; V123-Y134 HydrophobicContact CG1-CD2 4.03Å; V123-Y134 HydrophobicContact CG1-CE2 3.67Å
124A97.6Very high96.3Very high3 Ų370.7 Ų70.73%0.02535%0.353CS..Hα-helixtrans-62.1-42.4173.300000113P76 P115 P118 C120 P121 Y127 K128P76-A124 HydrophobicContact CB-CB 4.03Å; P115-A124 HydrophobicContact CB-CB 4.03Å; P118-A124 HydrophobicContact CB-CB 3.46Å; P118-A124 VanDerWaalsContact CB-CB 3.46Å; P118-A124 HydrophobicContact CG-CB 3.68Å; C120-A124 PolarHBondContact O-N 2.84Å; P121-A124 PolarHBondContact O-N 2.91Å; A124-Y127 WeakPolarHBondContact O-CB 3.49Å; A124-Y127 PolarHBondContact O-N 3.22Å; A124-K128 WeakPolarHBondContact O-CG 3.2Å; A124-K128 PolarHBondContact O-N 2.98Å
125R97.8Very high96.5Very high155 Ų15568.4 Ų68.459%0.58534%0.341SS*.Hα-helixtrans-60.2-49.8175.1177.4176.156.5163.2-5.5110.2P121 D122 Y127 K128 T129P121-R125 WeakPolarHBondContact O-CB 3.34Å; P121-R125 PolarHBondContact O-N 3.46Å; D122-R125 PolarHBondContact O-N 3.22Å; D122-R125 IonicContact OD1-CZ 2.68Å; D122-R125 IonicContact OD1-NE 3.56Å; D122-R125 IonicContact OD1-NH2 2.73Å; D122-R125 PolarHBondContact OD1-NH2 2.9Å; R125-Y127 VanDerWaalsContact C-N 3.35Å; R125-Y127 PolarHBondContact O-N 3.49Å; R125-K128 PolarHBondContact O-N 2.73Å; R125-K128 VanDerWaalsContact O-N 3.15Å; R125-T129 HydrophobicContact CG-CG2 4.32Å; R125-T129 WeakPolarHBondContact O-CG2 3.5Å; R125-T129 PolarHBondContact O-N 3.39Å; R125-T129 PolarHBondContact O-OG1 3.31Å
126Q97.7Very high96.8Very high37 Ų3770.7 Ų70.717%0.17335%0.35CS..Hα-helixtrans-61.6-42.6177.7-170.6179.345.800112.1Y74 D122 V123 K128 T129 D130Y74-Q126 PolarHBondContact OH-OE1 2.78Å; D122-Q126 PolarHBondContact O-N 3.35Å; V123-Q126 PolarHBondContact O-N 2.82Å; Q126-K128 PolarHBondContact O-N 3.42Å; Q126-T129 PolarHBondContact O-N 3.37Å; Q126-D130 CarbonylContact O-C 3.15Å; Q126-D130 WeakPolarHBondContact O-CA 3.27Å; Q126-D130 PolarHBondContact O-N 2.88Å; Q126-D130 VanDerWaalsContact O-O 3.14Å
127Y97.6Very high97Very high31 Ų3166.1 Ų66.112%0.12233%0.325CS..Hα-helixtrans-54.7-41.1174.4178.6-97.3000112.3P76 P113 P115 V123 A124 R125 R131 Y134P76-Y127 HydrophobicContact CG-CD2 4.48Å; P76-Y127 HydrophobicContact CG-CG 4.23Å; P113-Y127 HydrophobicContact CB-CE1 4.39Å; P113-Y127 HydrophobicContact CB-CE2 4.19Å; P113-Y127 WeakPolarHBondContact CD-OH 3.14Å; P113-Y127 HydrophobicContact CG-CD2 4.31Å; P113-Y127 HydrophobicContact CG-CE2 3.66Å; P115-Y127 HydrophobicContact CB-CD1 3.86Å; P115-Y127 HydrophobicContact CB-CE1 4.39Å; P115-Y127 HydrophobicContact CG-CD1 3.87Å; P115-Y127 HydrophobicContact CG-CE1 3.94Å; V123-Y127 VanDerWaalsContact O-CB 3.31Å; V123-Y127 WeakPolarHBondContact O-CB 3.22Å; V123-Y127 PolarHBondContact O-N 3.28Å; A124-Y127 WeakPolarHBondContact O-CB 3.49Å; A124-Y127 PolarHBondContact O-N 3.22Å; R125-Y127 VanDerWaalsContact C-N 3.35Å; R125-Y127 PolarHBondContact O-N 3.49Å; Y127-R131 PolarHBondContact OH-NH1 2.95Å; Y127-Y134 AromaticContact CD2-CD1 3.63Å; Y127-Y134 HydrophobicContact CD2-CD1 3.63Å; Y127-Y134 HydrophobicContact CD2-CD2 4.22Å; Y127-Y134 AromaticContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE2 4.11Å; Y127-Y134 AromaticContact CD2-CG 3.98Å; Y127-Y134 HydrophobicContact CD2-CG 3.98Å; Y127-Y134 AromaticContact CD2-CZ 3.74Å; Y127-Y134 HydrophobicContact CE2-CD1 4.3Å; Y127-Y134 AromaticContact CE2-CE1 3.95Å; Y127-Y134 HydrophobicContact CE2-CE1 3.95Å
128K97.2Very high97.3Very high115 Ų11562 Ų6250%0.530%0.303SS..Hα-helixtrans-76-38.3178.2-76.5171.8159.41610113.7P115 D116 A124 R125 Q126P115-K128 HydrophobicContact CB-CD 3.92Å; P115-K128 VanDerWaalsContact CB-CE 3.49Å; P115-K128 HydrophobicContact CB-CG 3.91Å; P115-K128 HydrophobicContact CG-CD 4.26Å; P115-K128 VanDerWaalsContact CG-CE 3.49Å; P115-K128 HydrophobicContact CG-CG 4.08Å; P115-K128 PolarHBondContact O-NZ 3Å; D116-K128 WeakPolarHBondContact OD1-CE 3.32Å; D116-K128 IonicContact OD1-NZ 2.67Å; D116-K128 PolarHBondContact OD1-NZ 3.4Å; A124-K128 WeakPolarHBondContact O-CG 3.2Å; A124-K128 PolarHBondContact O-N 2.98Å; R125-K128 PolarHBondContact O-N 2.73Å; R125-K128 VanDerWaalsContact O-N 3.15Å; Q126-K128 PolarHBondContact O-N 3.42Å
129T97.7Very high97.5Very high111 Ų11165.5 Ų65.568%0.68131%0.312SS*.Hα-helixtrans-99.8-26.6-169.861.70000114.5R125 Q126R125-T129 HydrophobicContact CG-CG2 4.32Å; R125-T129 WeakPolarHBondContact O-CG2 3.5Å; R125-T129 PolarHBondContact O-N 3.39Å; R125-T129 PolarHBondContact O-OG1 3.31Å; Q126-T129 PolarHBondContact O-N 3.37Å
130D97.5Very high97.7Very high76 Ų7667.8 Ų67.841%0.40632%0.321SS..  trans-148.574.1-178-170.9-12.4000110.1Q126 K132 K133 Y134Q126-D130 CarbonylContact O-C 3.15Å; Q126-D130 WeakPolarHBondContact O-CA 3.27Å; Q126-D130 PolarHBondContact O-N 2.88Å; Q126-D130 VanDerWaalsContact O-O 3.14Å; D130-K132 PolarHBondContact O-N 2.91Å; D130-K133 HydrophobicContact CB-CB 4.2Å; D130-K133 PolarHBondContact O-N 3.27Å; D130-K133 WeakPolarHBondContact OD1-CB 3.41Å; D130-K133 PolarHBondContact OD1-N 3.41Å; D130-K133 WeakPolarHBondContact OD2-CB 3.5Å; D130-Y134 PolarHBondContact O-N 3.48Å
131R97.4Very high97.7Very high104 Ų10470.4 Ų70.439%0.39233%0.328SS..Hα-helixtrans-58-36.4-178.8-179.656.7-177.4-103.66.5112.4Y127 Y134 D135Y127-R131 PolarHBondContact OH-NH1 2.95Å; R131-Y134 WeakPolarHBondContact O-CB 3.5Å; R131-Y134 PolarHBondContact O-N 3.23Å; R131-D135 IonicContact CZ-OD1 3.89Å; R131-D135 IonicContact NE-OD1 2.74Å; R131-D135 PolarHBondContact NE-OD1 2.84Å; R131-D135 IonicContact NE-OD2 3.73Å; R131-D135 PolarHBondContact NE-OD2 3.07Å; R131-D135 IonicContact NH2-OD1 3.61Å; R131-D135 VanDerWaalsContact O-CG 3.28Å; R131-D135 PolarHBondContact O-N 3.43Å
132K98Very high97.8Very high148 Ų14866.3 Ų66.364%0.64330%0.302SS*.Hα-helixtrans-62.8-49.3178.5-177.7-179.8174.9-175.20110.8D130 Y134 D135 E136D130-K132 PolarHBondContact O-N 2.91Å; K132-Y134 VanDerWaalsContact C-N 3.33Å; K132-Y134 PolarHBondContact O-N 3.28Å; K132-D135 PolarHBondContact O-N 2.97Å; K132-E136 WeakPolarHBondContact CE-OE1 3.49Å; K132-E136 WeakPolarHBondContact O-CG 3.31Å; K132-E136 PolarHBondContact O-N 2.84Å
133K98Very high97.9Very high72 Ų7267.1 Ų67.131%0.31330%0.302SS..Hα-helixtrans-66.7-36.8179.3-172.965.9-169.5162.20112.3D130 E136 L137D130-K133 HydrophobicContact CB-CB 4.2Å; D130-K133 PolarHBondContact O-N 3.27Å; D130-K133 WeakPolarHBondContact OD1-CB 3.41Å; D130-K133 PolarHBondContact OD1-N 3.41Å; D130-K133 WeakPolarHBondContact OD2-CB 3.5Å; K133-E136 IonicContact NZ-OE2 2.88Å; K133-E136 PolarHBondContact O-N 3Å; K133-L137 HydrophobicContact CG-CD1 4.28Å; K133-L137 WeakPolarHBondContact O-CG 3.33Å; K133-L137 PolarHBondContact O-N 3.45Å
134Y98.3Very high97.8Very high2 Ų273.5 Ų73.51%0.00833%0.328CS..Hα-helixtrans-57-52.2171.3167.6-92.2000111.2P44 Y45 Y74 P76 V123 Y127 D130 R131 K132 E136 L137 A138P44-Y134 HydrophobicContact CG-CE1 4.4Å; Y45-Y134 PolarHBondContact OH-OH 3.21Å; Y74-Y134 HydrophobicContact CD1-CD2 4.13Å; Y74-Y134 HydrophobicContact CD1-CE2 4.07Å; Y74-Y134 AromaticContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CD2 3.85Å; Y74-Y134 HydrophobicContact CE1-CE2 4.18Å; P76-Y134 WeakPolarHBondContact CD-OH 3.47Å; P76-Y134 HydrophobicContact CG-CE2 4.19Å; V123-Y134 HydrophobicContact CG1-CD2 4.03Å; V123-Y134 HydrophobicContact CG1-CE2 3.67Å; Y127-Y134 AromaticContact CD2-CD1 3.63Å; Y127-Y134 HydrophobicContact CD2-CD1 3.63Å; Y127-Y134 HydrophobicContact CD2-CD2 4.22Å; Y127-Y134 AromaticContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE2 4.11Å; Y127-Y134 AromaticContact CD2-CG 3.98Å; Y127-Y134 HydrophobicContact CD2-CG 3.98Å; Y127-Y134 AromaticContact CD2-CZ 3.74Å; Y127-Y134 HydrophobicContact CE2-CD1 4.3Å; Y127-Y134 AromaticContact CE2-CE1 3.95Å; Y127-Y134 HydrophobicContact CE2-CE1 3.95Å; D130-Y134 PolarHBondContact O-N 3.48Å; R131-Y134 WeakPolarHBondContact O-CB 3.5Å; R131-Y134 PolarHBondContact O-N 3.23Å; K132-Y134 VanDerWaalsContact C-N 3.33Å; K132-Y134 PolarHBondContact O-N 3.28Å; Y134-E136 VanDerWaalsContact C-N 3.32Å; Y134-E136 PolarHBondContact O-N 2.95Å; Y134-L137 PolarHBondContact O-N 3.39Å; Y134-A138 HydrophobicContact CE1-CB 4.48Å; Y134-A138 WeakPolarHBondContact O-CB 3.35Å; Y134-A138 PolarHBondContact O-N 3.37Å
135D98.2Very high97.8Very high25 Ų2577.1 Ų77.113%0.13434%0.342CS..Hα-helixtrans-65-36-177.5-68.4-23.9000111.5P44 R131 K132 R139P44-D135 HydrophobicContact CB-CB 4.37Å; R131-D135 IonicContact CZ-OD1 3.89Å; R131-D135 IonicContact NE-OD1 2.74Å; R131-D135 PolarHBondContact NE-OD1 2.84Å; R131-D135 IonicContact NE-OD2 3.73Å; R131-D135 PolarHBondContact NE-OD2 3.07Å; R131-D135 IonicContact NH2-OD1 3.61Å; R131-D135 VanDerWaalsContact O-CG 3.28Å; R131-D135 PolarHBondContact O-N 3.43Å; K132-D135 PolarHBondContact O-N 2.97Å; D135-R139 WeakPolarHBondContact O-CB 3.49Å; D135-R139 VanDerWaalsContact O-CG 3.26Å; D135-R139 WeakPolarHBondContact O-CG 3.48Å; D135-R139 PolarHBondContact O-N 3.39Å; D135-R139 PolarHBondContact O-NH1 3.22Å
136E98.3Very high97.8Very high69 Ų6970 Ų7032%0.32232%0.316SS..Hα-helixtrans-59.1-52.9172.2-75172.5-17200111.6K132 K133 Y134 A138 R139 E140K132-E136 WeakPolarHBondContact CE-OE1 3.49Å; K132-E136 WeakPolarHBondContact O-CG 3.31Å; K132-E136 PolarHBondContact O-N 2.84Å; K133-E136 IonicContact NZ-OE2 2.88Å; K133-E136 PolarHBondContact O-N 3Å; Y134-E136 VanDerWaalsContact C-N 3.32Å; Y134-E136 PolarHBondContact O-N 2.95Å; E136-A138 PolarHBondContact O-N 2.95Å; E136-R139 PolarHBondContact O-N 2.79Å; E136-E140 WeakPolarHBondContact O-CG 3.42Å; E136-E140 PolarHBondContact O-N 3.27Å
137L98Very high97.7Very high35 Ų3572 Ų7218%0.18333%0.327CS..Hα-helixtrans-65.8-38.9-179.3-70.5174.1000112.4Y74 K133 Y134 E140 W141Y74-L137 HydrophobicContact CD1-CB 4.17Å; Y74-L137 HydrophobicContact CE1-CB 4.06Å; Y74-L137 HydrophobicContact CE1-CD1 4.37Å; K133-L137 HydrophobicContact CG-CD1 4.28Å; K133-L137 WeakPolarHBondContact O-CG 3.33Å; K133-L137 PolarHBondContact O-N 3.45Å; Y134-L137 PolarHBondContact O-N 3.39Å; L137-E140 PolarHBondContact O-N 3.29Å; L137-W141 PolarHBondContact O-N 2.74Å
138A98.4Very high96.6Very high0 Ų077.6 Ų77.60%036%0.359CS..Hα-helixtrans-62.9-42.5175.500000111.3P44 Y45 Y74 Y134 E136 W141 T142P44-A138 HydrophobicContact CB-CB 3.58Å; P44-A138 HydrophobicContact CG-CB 3.79Å; Y45-A138 HydrophobicContact CE1-CB 4.13Å; Y74-A138 HydrophobicContact CD1-CB 4.28Å; Y134-A138 HydrophobicContact CE1-CB 4.48Å; Y134-A138 WeakPolarHBondContact O-CB 3.35Å; Y134-A138 PolarHBondContact O-N 3.37Å; E136-A138 PolarHBondContact O-N 2.95Å; A138-W141 PolarHBondContact O-N 3.4Å; A138-T142 PolarHBondContact O-N 2.86Å; A138-T142 PolarHBondContact O-OG1 3.17Å
139R98.2Very high94.4Very high109 Ų10981.5 Ų81.541%0.41140%0.396SS..Hα-helixtrans-62.5-43.3173-73.8-179.3-160.1102.4-0112.5P44 D135 E136 W141 T142 Q143P44-R139 HydrophobicContact CB-CG 3.72Å; P44-R139 WeakPolarHBondContact O-CA 3.41Å; P44-R139 WeakPolarHBondContact O-CG 3.33Å; D135-R139 WeakPolarHBondContact O-CB 3.49Å; D135-R139 VanDerWaalsContact O-CG 3.26Å; D135-R139 WeakPolarHBondContact O-CG 3.48Å; D135-R139 PolarHBondContact O-N 3.39Å; D135-R139 PolarHBondContact O-NH1 3.22Å; E136-R139 PolarHBondContact O-N 2.79Å; R139-W141 VanDerWaalsContact C-N 3.28Å; R139-W141 PolarHBondContact O-N 2.98Å; R139-T142 WeakPolarHBondContact O-CB 3.37Å; R139-T142 PolarHBondContact O-N 3.38Å; R139-Q143 WeakPolarHBondContact O-CG 2.99Å; R139-Q143 PolarHBondContact O-N 2.86Å
140E97.9Very high94.3Very high103 Ų10380 Ų8048%0.48138%0.381SS..Hα-helixtrans-58.6-41.6175.8-74174.7-163.900111.6E136 L137 K144E136-E140 WeakPolarHBondContact O-CG 3.42Å; E136-E140 PolarHBondContact O-N 3.27Å; L137-E140 PolarHBondContact O-N 3.29Å; E140-K144 VanDerWaalsContact O-CB 3.23Å; E140-K144 WeakPolarHBondContact O-CB 3.45Å; E140-K144 PolarHBondContact O-N 3.15Å
141W97.9Very high94.1Very high74 Ų7480.2 Ų80.228%0.2838%0.38SS..Hα-helixtrans-68.2-41.9176.3-84.957000112.6K72 Y74 L137 A138 R139 K144 Y145K72-W141 HydrophobicContact CB-CE3 4.22Å; K72-W141 HydrophobicContact CB-CZ3 4.06Å; Y74-W141 HydrophobicContact CD2-CD2 4.35Å; Y74-W141 HydrophobicContact CD2-CZ2 4.19Å; L137-W141 PolarHBondContact O-N 2.74Å; A138-W141 PolarHBondContact O-N 3.4Å; R139-W141 VanDerWaalsContact C-N 3.28Å; R139-W141 PolarHBondContact O-N 2.98Å; W141-K144 PolarHBondContact O-N 3.02Å; W141-Y145 HydrophobicContact CB-CD2 4.22Å; W141-Y145 HydrophobicContact CD2-CD2 4.07Å; W141-Y145 AromaticContact CD2-CE2 3.75Å; W141-Y145 HydrophobicContact CD2-CE2 3.75Å; W141-Y145 AromaticContact CE3-CD2 3.86Å; W141-Y145 HydrophobicContact CE3-CD2 3.86Å; W141-Y145 AromaticContact CE3-CE2 3.75Å; W141-Y145 HydrophobicContact CE3-CE2 3.75Å; W141-Y145 HydrophobicContact CG-CD2 4.25Å; W141-Y145 HydrophobicContact CG-CE2 4.11Å; W141-Y145 HydrophobicContact CZ3-CE2 4.28Å; W141-Y145 WeakPolarHBondContact O-CB 3.45Å; W141-Y145 WeakPolarHBondContact O-CD2 3.2Å; W141-Y145 PolarHBondContact O-N 2.96Å
142T98.3Very high93.9Very high3 Ų378.9 Ų78.92%0.01838%0.379CS..Hα-helixtrans-56.9-51.3174.6-59.50000110.4P44 Y45 F50 A138 R139 K144 Y145 A146 M147P44-T142 PolarHBondContact O-OG1 2.97Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.39Å; Y45-T142 VanDerWaalsContact O-CG2 3.32Å; Y45-T142 WeakPolarHBondContact O-CG2 3.48Å; F50-T142 HydrophobicContact CZ-CG2 4.14Å; A138-T142 PolarHBondContact O-N 2.86Å; A138-T142 PolarHBondContact O-OG1 3.17Å; R139-T142 WeakPolarHBondContact O-CB 3.37Å; R139-T142 PolarHBondContact O-N 3.38Å; T142-K144 VanDerWaalsContact C-N 3.3Å; T142-K144 PolarHBondContact O-N 3.45Å; T142-Y145 PolarHBondContact O-N 3.02Å; T142-A146 HydrophobicContact CG2-CB 4.31Å; T142-A146 CarbonylContact O-C 3.54Å; T142-A146 WeakPolarHBondContact O-CA 3.43Å; T142-A146 WeakPolarHBondContact O-CB 3.5Å; T142-A146 PolarHBondContact O-N 2.87Å; T142-M147 HydrophobicContact CG2-CG 4.34Å; T142-M147 PolarHBondContact O-N 2.67Å
143Q97.4Very high93.7Very high125 Ų12574.8 Ų74.858%0.58436%0.364SS*.Hα-helixtrans-59.6-40.2177.6-71.2172.32100112.5R139 M147R139-Q143 WeakPolarHBondContact O-CG 2.99Å; R139-Q143 PolarHBondContact O-N 2.86Å; Q143-M147 HydrophobicContact CB-SD 4.19Å; Q143-M147 HydrophobicContact CG-SD 3.66Å
144K97.1Very high93.4Very high146 Ų14675 Ų7564%0.63537%0.367SS*.Hα-helixtrans-76.9-33.8-175.2-174.7173.8179.6-178.50114.3E140 W141 T142E140-K144 VanDerWaalsContact O-CB 3.23Å; E140-K144 WeakPolarHBondContact O-CB 3.45Å; E140-K144 PolarHBondContact O-N 3.15Å; W141-K144 PolarHBondContact O-N 3.02Å; T142-K144 VanDerWaalsContact C-N 3.3Å; T142-K144 PolarHBondContact O-N 3.45Å
145Y97.4Very high93.1Very high80 Ų8079.9 Ų79.931%0.31439%0.391SS..Hα-helixtrans-122.6-20.5-167.7-58.6-61.8000114.6T71 K72 W141 T142T71-Y145 VanDerWaalsContact CG2-O 3.32Å; T71-Y145 WeakPolarHBondContact CG2-O 3.3Å; K72-Y145 HydrophobicContact CB-CD1 4.37Å; K72-Y145 HydrophobicContact CB-CD2 3.88Å; K72-Y145 HydrophobicContact CB-CE2 4.38Å; K72-Y145 HydrophobicContact CB-CG 3.87Å; K72-Y145 HydrophobicContact CD-CD1 4.09Å; K72-Y145 HydrophobicContact CD-CE1 3.94Å; K72-Y145 HydrophobicContact CD-CE2 4.38Å; K72-Y145 HydrophobicContact CD-CG 4.38Å; W141-Y145 HydrophobicContact CB-CD2 4.22Å; W141-Y145 HydrophobicContact CD2-CD2 4.07Å; W141-Y145 AromaticContact CD2-CE2 3.75Å; W141-Y145 HydrophobicContact CD2-CE2 3.75Å; W141-Y145 AromaticContact CE3-CD2 3.86Å; W141-Y145 HydrophobicContact CE3-CD2 3.86Å; W141-Y145 AromaticContact CE3-CE2 3.75Å; W141-Y145 HydrophobicContact CE3-CE2 3.75Å; W141-Y145 HydrophobicContact CG-CD2 4.25Å; W141-Y145 HydrophobicContact CG-CE2 4.11Å; W141-Y145 HydrophobicContact CZ3-CE2 4.28Å; W141-Y145 WeakPolarHBondContact O-CB 3.45Å; W141-Y145 WeakPolarHBondContact O-CD2 3.2Å; W141-Y145 PolarHBondContact O-N 2.96Å; T142-Y145 PolarHBondContact O-N 3.02Å
146A97.4Very high92.7Very high5 Ų583.8 Ų83.84%0.04141%0.409CS..THydrogen-bonded Turntrans-118.2-16.2-172.500000113.4V49 F50 T71 T142V49-A146 PolarHBondContact N-O 2.82Å; F50-A146 HydrophobicContact CD1-CB 3.96Å; F50-A146 HydrophobicContact CE1-CB 3.51Å; F50-A146 HydrophobicContact CE2-CB 4.18Å; F50-A146 HydrophobicContact CG-CB 4.47Å; F50-A146 HydrophobicContact CZ-CB 3.64Å; T71-A146 HydrophobicContact CG2-CB 3.74Å; T142-A146 HydrophobicContact CG2-CB 4.31Å; T142-A146 CarbonylContact O-C 3.54Å; T142-A146 WeakPolarHBondContact O-CA 3.43Å; T142-A146 WeakPolarHBondContact O-CB 3.5Å; T142-A146 PolarHBondContact O-N 2.87Å
147M94.5Very high92.3Very high79 Ų7984.9 Ų84.939%0.38942%0.416SS..SBendtrans-90.7131171.3-60.1-178.299.400108.1T142 Q143T142-M147 HydrophobicContact CG2-CG 4.34Å; T142-M147 PolarHBondContact O-N 2.67Å; Q143-M147 HydrophobicContact CB-SD 4.19Å; Q143-M147 HydrophobicContact CG-SD 3.66Å
148D74.7Confident91.8Very high149 Ų14989.1 Ų89.180%0.79744%0.435SS*.  trans-55.9140173.8-91.6-25.1000109.4
149P52.6Low91.2Very high196 Ų19697.2 Ų97.2100%1.27348%0.475SS*.  trans-62.80176.425.8-33.4000113.8

Retrieved 149 of 149 residues in 33.3 ms (Link to these results)

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