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Ubiquitin-conjugating enzyme E2 D2

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro catalyzes 'Lys-48'-linked polyubiquitination. Mediates the selective degradation of short-lived and abnormal proteins. Functions in the E6/E6-AP-induced ubiquitination of p53/TP53. Mediates ubiquitination of PEX5 and SQSTM1 and autoubiquitination of STUB1 and TRAF6. Involved in the signal-induced conjugation and subsequent degradation of NFKBIA, FBXW2-mediated GCM1 ubiquitination and degradation, MDM2-dependent degradation of p53/TP53 and the activation of MAVS in the mitochondria by RIGI in response to viral infection. Essential for viral activation of IRF3.

AlphaFold DB , UniProt , Accession Q1RMX2, Species BOVIN (Bos taurus, Bovine), Gene UBE2D2, Length 147 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
1M85.3Confident95.2Very high205 Ų20580.2 Ų80.2100%1.0138%0.381SS*.  0-47.10-73.1-175.9-17400112.2L3 K4 R5M1-L3 PolarHBondContact O-N 2.92Å; M1-K4 PolarHBondContact O-N 3.26Å; M1-K4 VanDerWaalsContact O-N 3.1Å; M1-R5 PolarHBondContact O-N 3.37Å; M1-R5 VanDerWaalsContact O-N 3.13Å
2A93.3Very high95.2Very high8 Ų878.3 Ų78.37%0.06638%0.375CS..Hα-helixtrans-47.4-52176.600000113.4K4 R5 I6 F31 T58 Y60A2-K4 VanDerWaalsContact C-N 3.32Å; A2-K4 PolarHBondContact O-N 2.99Å; A2-R5 CarbonylContact O-C 3.6Å; A2-R5 WeakPolarHBondContact O-CA 3.41Å; A2-R5 WeakPolarHBondContact O-CB 3.46Å; A2-R5 PolarHBondContact O-N 3.19Å; A2-I6 WeakPolarHBondContact O-CG1 3.36Å; A2-I6 PolarHBondContact O-N 3.33Å; A2-F31 HydrophobicContact CB-CE1 3.92Å; A2-F31 HydrophobicContact CB-CZ 4.1Å; A2-T58 WeakPolarHBondContact CB-O 3.45Å; A2-Y60 VanDerWaalsContact CA-O 3.24Å; A2-Y60 WeakPolarHBondContact CA-O 3.4Å; A2-Y60 VanDerWaalsContact CB-O 3.25Å; A2-Y60 WeakPolarHBondContact CB-O 3.36Å
3L95.3Very high95.1Very high77 Ų7773.3 Ų73.340%0.40335%0.351SS..Hα-helixtrans-57.9-39.6180-17162.3000113.8M1 R5 I6 H7 M30 F31M1-L3 PolarHBondContact O-N 2.92Å; L3-R5 VanDerWaalsContact C-N 3.34Å; L3-I6 PolarHBondContact O-N 2.95Å; L3-H7 VanDerWaalsContact CD1-CE1 3.45Å; L3-H7 WeakPolarHBondContact CD1-CE1 3.5Å; L3-H7 WeakPolarHBondContact O-CB 3.27Å; L3-H7 PolarHBondContact O-N 3.23Å; L3-H7 PolarHBondContact O-ND1 3.07Å; L3-M30 HydrophobicContact CD1-CB 3.54Å; L3-M30 HydrophobicContact CD1-CG 4Å; L3-F31 HydrophobicContact CB-CE2 4.46Å; L3-F31 HydrophobicContact CB-CZ 4.43Å; L3-F31 HydrophobicContact CD1-CE2 4.04Å
4K96.3Very high94.9Very high177 Ų17773.9 Ų73.977%0.7737%0.374SS*.Hα-helixtrans-65.3-39.2176.3-175.3178.8-179.3178.40111.1M1 A2 K8M1-K4 PolarHBondContact O-N 3.26Å; M1-K4 VanDerWaalsContact O-N 3.1Å; A2-K4 VanDerWaalsContact C-N 3.32Å; A2-K4 PolarHBondContact O-N 2.99Å; K4-K8 WeakPolarHBondContact O-CB 3.42Å; K4-K8 PolarHBondContact O-N 2.73Å; K4-K8 VanDerWaalsContact O-N 3.11Å
5R96.8Very high94.8Very high57 Ų5782.1 Ų82.122%0.21540%0.398CS..Hα-helixtrans-65.7-46.6175.3172.862.9-173.5-95.1-16.2111.3M1 A2 L3 K8 E9 Y60 P61 P95 L97M1-R5 PolarHBondContact O-N 3.37Å; M1-R5 VanDerWaalsContact O-N 3.13Å; A2-R5 CarbonylContact O-C 3.6Å; A2-R5 WeakPolarHBondContact O-CA 3.41Å; A2-R5 WeakPolarHBondContact O-CB 3.46Å; A2-R5 PolarHBondContact O-N 3.19Å; L3-R5 VanDerWaalsContact C-N 3.34Å; R5-K8 WeakPolarHBondContact O-CB 3.36Å; R5-K8 PolarHBondContact O-N 3.37Å; R5-E9 IonicContact CZ-OE1 2.67Å; R5-E9 IonicContact NE-OE1 2.71Å; R5-E9 PolarHBondContact NE-OE1 3.09Å; R5-E9 IonicContact NH2-OE1 2.71Å; R5-E9 PolarHBondContact NH2-OE1 3.45Å; R5-E9 PolarHBondContact O-N 3.36Å; R5-Y60 HydrophobicContact CG-CD1 3.94Å; R5-Y60 HydrophobicContact CG-CE1 3.7Å; R5-P61 HydrophobicContact CG-CB 4.37Å; R5-P61 HydrophobicContact CG-CG 4.16Å; R5-P95 PolarHBondContact NH1-O 3.5Å; R5-P95 PolarHBondContact NH2-O 3.32Å; R5-L97 PolarHBondContact NH2-O 2.87Å
6I97.4Very high94.6Very high0 Ų084.3 Ų84.30%041%0.413CS..Hα-helixtrans-61.3-46.8178.6-67.5168000110.9A2 L3 K8 E9 L10 M30 F31 W33 F56 Y60A2-I6 WeakPolarHBondContact O-CG1 3.36Å; A2-I6 PolarHBondContact O-N 3.33Å; L3-I6 PolarHBondContact O-N 2.95Å; I6-K8 VanDerWaalsContact C-N 3.31Å; I6-K8 PolarHBondContact O-N 3.32Å; I6-E9 PolarHBondContact O-N 3.18Å; I6-L10 PolarHBondContact O-N 2.81Å; I6-M30 HydrophobicContact CG2-CE 3.91Å; I6-M30 WeakPolarHBondContact CG2-O 3.31Å; I6-F31 HydrophobicContact CD1-CD1 3.81Å; I6-F31 HydrophobicContact CD1-CE1 3.74Å; I6-F31 HydrophobicContact CD1-CG 4.27Å; I6-F31 HydrophobicContact CD1-CZ 4.17Å; I6-W33 HydrophobicContact CG2-CH2 4.39Å; I6-W33 HydrophobicContact CG2-CZ2 3.45Å; I6-W33 VanDerWaalsContact CG2-CZ2 3.45Å; I6-F56 HydrophobicContact CD1-CB 3.72Å; I6-F56 HydrophobicContact CD1-CD1 4.02Å; I6-F56 HydrophobicContact CD1-CD2 4.19Å; I6-F56 HydrophobicContact CD1-CG 3.72Å; I6-F56 HydrophobicContact CG1-CD1 3.89Å; I6-F56 HydrophobicContact CG1-CE1 4.17Å; I6-F56 HydrophobicContact CG1-CG 4.09Å; I6-Y60 HydrophobicContact CD1-CD1 4.47Å; I6-Y60 HydrophobicContact CG1-CD1 3.86Å; I6-Y60 HydrophobicContact CG1-CE1 4.24Å
7H96.5Very high94.2Very high81 Ų8184.1 Ų84.138%0.37542%0.419SS..Hα-helixtrans-59.9-41175.4-8485.2000112.6L3 E9 L10 N11L3-H7 VanDerWaalsContact CD1-CE1 3.45Å; L3-H7 WeakPolarHBondContact CD1-CE1 3.5Å; L3-H7 WeakPolarHBondContact O-CB 3.27Å; L3-H7 PolarHBondContact O-N 3.23Å; L3-H7 PolarHBondContact O-ND1 3.07Å; H7-E9 VanDerWaalsContact C-N 3.34Å; H7-L10 PolarHBondContact O-N 3.24Å; H7-N11 PolarHBondContact O-N 2.98Å; H7-N11 VanDerWaalsContact O-N 3.07Å; H7-N11 PolarHBondContact O-ND2 2.94Å
8K96.8Very high93.9Very high126 Ų12680 Ų8055%0.54840%0.4SS..Hα-helixtrans-60.1-47.6175.8-175.3-169.6169.8-165.50110.6K4 R5 I6 L10 N11 D12K4-K8 WeakPolarHBondContact O-CB 3.42Å; K4-K8 PolarHBondContact O-N 2.73Å; K4-K8 VanDerWaalsContact O-N 3.11Å; R5-K8 WeakPolarHBondContact O-CB 3.36Å; R5-K8 PolarHBondContact O-N 3.37Å; I6-K8 VanDerWaalsContact C-N 3.31Å; I6-K8 PolarHBondContact O-N 3.32Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.46Å; K8-N11 PolarHBondContact O-N 3.44Å; K8-D12 VanDerWaalsContact O-CG 3.27Å; K8-D12 PolarHBondContact O-N 3.35Å
9E96.9Very high93.6Very high6 Ų679.8 Ų79.83%0.02841%0.412CS..Hα-helixtrans-65.3-33.9178.9-72.6-167-133.900113.3R5 I6 H7 D12 L13 W33 Y60 T98 I99R5-E9 IonicContact CZ-OE1 2.67Å; R5-E9 IonicContact NE-OE1 2.71Å; R5-E9 PolarHBondContact NE-OE1 3.09Å; R5-E9 IonicContact NH2-OE1 2.71Å; R5-E9 PolarHBondContact NH2-OE1 3.45Å; R5-E9 PolarHBondContact O-N 3.36Å; I6-E9 PolarHBondContact O-N 3.18Å; H7-E9 VanDerWaalsContact C-N 3.34Å; E9-D12 PolarHBondContact O-N 3.37Å; E9-L13 WeakPolarHBondContact O-CB 3.4Å; E9-L13 WeakPolarHBondContact O-CG 3.36Å; E9-L13 PolarHBondContact O-N 2.87Å; E9-W33 HydrophobicContact CB-CH2 4.32Å; E9-Y60 PolarHBondContact OE1-OH 2.74Å; E9-T98 HydrophobicContact CG-CG2 4.5Å; E9-T98 WeakPolarHBondContact OE2-CA 3.44Å; E9-T98 VanDerWaalsContact OE2-CB 3.22Å; E9-T98 WeakPolarHBondContact OE2-CB 3.35Å; E9-I99 PolarHBondContact OE2-N 2.99Å
10L96.7Very high93.4Very high39 Ų3980.1 Ų80.120%0.20441%0.411CS..Hα-helixtrans-62.4-45.5173.9-176.860.1000111.1I6 H7 K8 D12 L13 A14 P25 M30 W33I6-L10 PolarHBondContact O-N 2.81Å; H7-L10 PolarHBondContact O-N 3.24Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.46Å; L10-D12 VanDerWaalsContact C-N 3.35Å; L10-L13 PolarHBondContact O-N 3.45Å; L10-A14 WeakPolarHBondContact O-CB 3.45Å; L10-A14 PolarHBondContact O-N 3.3Å; L10-P25 HydrophobicContact CD2-CG 4.19Å; L10-M30 HydrophobicContact CD2-CE 3.82Å; L10-M30 HydrophobicContact CD2-SD 4.45Å; L10-W33 HydrophobicContact CB-CH2 3.81Å; L10-W33 HydrophobicContact CB-CZ2 3.77Å; L10-W33 HydrophobicContact CD1-CH2 4.21Å; L10-W33 HydrophobicContact CD1-CZ2 4.17Å; L10-W33 HydrophobicContact CG-CZ2 4.42Å
11N96.2Very high93.5Very high106 Ų10676.7 Ų76.757%0.56740%0.395SS*.Hα-helixtrans-65.2-39.8176.6-68.2-20.1000111.8H7 K8 A14 R15H7-N11 PolarHBondContact O-N 2.98Å; H7-N11 VanDerWaalsContact O-N 3.07Å; H7-N11 PolarHBondContact O-ND2 2.94Å; K8-N11 PolarHBondContact O-N 3.44Å; N11-A14 PolarHBondContact O-N 2.92Å; N11-R15 WeakPolarHBondContact O-CB 3.34Å; N11-R15 PolarHBondContact O-N 2.86Å
12D95.1Very high93.9Very high58 Ų5869.9 Ų69.931%0.3137%0.367SS..Hα-helixtrans-63.8-42.7176.8-69.9-24.9000110.7K8 E9 L10 R15 D16K8-D12 VanDerWaalsContact O-CG 3.27Å; K8-D12 PolarHBondContact O-N 3.35Å; E9-D12 PolarHBondContact O-N 3.37Å; L10-D12 VanDerWaalsContact C-N 3.35Å; D12-R15 PolarHBondContact O-N 3.26Å; D12-D16 PolarHBondContact O-N 3.46Å
13L94.3Very high94.1Very high13 Ų1370.4 Ų70.47%0.06837%0.372CS..Hα-helixtrans-64.2-39.8174.4-79.4168.8000113.1E9 L10 R15 D16 P17 P18 A23 W33 I99E9-L13 WeakPolarHBondContact O-CB 3.4Å; E9-L13 WeakPolarHBondContact O-CG 3.36Å; E9-L13 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 3.45Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-D16 CarbonylContact O-C 3.56Å; L13-P17 VanDerWaalsContact O-CA 3.25Å; L13-P17 WeakPolarHBondContact O-CA 3.25Å; L13-P17 WeakPolarHBondContact O-CB 3.38Å; L13-P17 VanDerWaalsContact O-N 3.16Å; L13-P18 VanDerWaalsContact CD2-CD 3.47Å; L13-P18 HydrophobicContact CD2-CG 3.95Å; L13-A23 HydrophobicContact CD1-CB 4.16Å; L13-W33 HydrophobicContact CD1-CE3 4.36Å; L13-W33 HydrophobicContact CD1-CH2 4.1Å; L13-W33 HydrophobicContact CD1-CZ3 3.45Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.45Å; L13-I99 HydrophobicContact CD1-CB 4.42Å; L13-I99 HydrophobicContact CD1-CG2 4.21Å
14A92.4Very high94.2Very high81 Ų8167.6 Ų67.667%0.66936%0.361SS*.Hα-helixtrans-68.2-33.4177.700000111.9L10 N11L10-A14 WeakPolarHBondContact O-CB 3.45Å; L10-A14 PolarHBondContact O-N 3.3Å; N11-A14 PolarHBondContact O-N 2.92Å
15R93.1Very high94.2Very high197 Ų19761.3 Ų61.374%0.74334%0.338SS*.Hα-helixtrans-79.8-39.5179.3-169.9-176.971.7-177.90112.6N11 D12 L13N11-R15 WeakPolarHBondContact O-CB 3.34Å; N11-R15 PolarHBondContact O-N 2.86Å; D12-R15 PolarHBondContact O-N 3.26Å; L13-R15 VanDerWaalsContact C-N 3.3Å
16D91.4Very high94.2Very high118 Ų11861.5 Ų61.563%0.63135%0.346SS*.SBendtrans-139.576.1-174.7-171.926.6000109.9D12 L13D12-D16 PolarHBondContact O-N 3.46Å; L13-D16 CarbonylContact O-C 3.56Å
17P88.3Confident94Very high80 Ų8064.6 Ų64.652%0.51938%0.377SS..PPolyproline II helixtrans-68.7134-177.526.5-33.1000110.5L13 A19L13-P17 VanDerWaalsContact O-CA 3.25Å; L13-P17 WeakPolarHBondContact O-CA 3.25Å; L13-P17 WeakPolarHBondContact O-CB 3.38Å; L13-P17 VanDerWaalsContact O-N 3.16Å; P17-A19 PolarHBondContact O-N 3.03Å
18P88.4Confident93.9Very high11 Ų1168.8 Ų68.87%0.07140%0.403CS..PPolyproline II helixtrans-58140.4173.617.5-25.3000110.5L13 Q20 C21 L104L13-P18 VanDerWaalsContact CD2-CD 3.47Å; L13-P18 HydrophobicContact CD2-CG 3.95Å; P18-Q20 PolarHBondContact O-N 3.38Å; P18-C21 HydrophobicContact CB-CB 3.88Å; P18-C21 HydrophobicContact CG-CB 3.59Å; P18-C21 PolarHBondContact O-N 2.91Å; P18-L104 HydrophobicContact CB-CD1 4.31Å; P18-L104 HydrophobicContact CB-CD2 3.79Å; P18-L104 HydrophobicContact CB-CG 3.87Å
19A88.2Confident93.8Very high76 Ų7666.7 Ų66.763%0.62840%0.398SS*.THydrogen-bonded Turntrans-51.8134179.300000110.5P17 C21P17-A19 PolarHBondContact O-N 3.03Å; A19-C21 PolarHBondContact O-N 3.38Å
20Q89.3Confident93.8Very high86 Ų8667.9 Ų67.940%0.40240%0.404SS..THydrogen-bonded Turntrans60.812.3178.3-68.8-177.8-32.800115.3P18 M38P18-Q20 PolarHBondContact O-N 3.38Å; Q20-M38 HydrophobicContact CB-CB 3.94Å; Q20-M38 HydrophobicContact CB-CG 4.35Å; Q20-M38 HydrophobicContact CG-CB 4.26Å; Q20-M38 WeakPolarHBondContact O-CG 3.47Å; Q20-M38 PolarHBondContact O-N 2.9Å
21C94.8Very high93.8Very high9 Ų968.9 Ų68.96%0.06141%0.406CS..EExtended strand (participates in β ladder)trans-130.8144.9-176.1-68.60000111.4P18 A19 T36 L103 C107P18-C21 HydrophobicContact CB-CB 3.88Å; P18-C21 HydrophobicContact CG-CB 3.59Å; P18-C21 PolarHBondContact O-N 2.91Å; A19-C21 PolarHBondContact O-N 3.38Å; C21-T36 CarbonylContact C-O 3.52Å; C21-T36 VanDerWaalsContact CA-O 3.29Å; C21-T36 WeakPolarHBondContact CA-O 3.33Å; C21-L103 HydrophobicContact CB-CB 4.17Å; C21-L103 HydrophobicContact CB-CD1 4.26Å; C21-C107 PolarHBondContact SG-SG 2.96Å
22S95.5Very high93.9Very high61 Ų6166.1 Ų66.143%0.42739%0.39SS..EExtended strand (participates in β ladder)trans-142156168.565.80000110.4A35 T36S22-A35 CarbonylContact O-C 3.57Å; S22-A35 WeakPolarHBondContact O-CA 3.38Å; S22-A35 WeakPolarHBondContact O-CB 3.44Å; S22-T36 PolarHBondContact N-O 2.91Å; S22-T36 PolarHBondContact O-N 2.88Å; S22-T36 WeakPolarHBondContact OG-CB 3.34Å
23A97.2Very high94.1Very high20 Ų2063.4 Ų63.417%0.16538%0.375CS..EExtended strand (participates in β ladder)trans-155.3150.9172.400000111.5L13 W33 Q34 A35 I99 L103L13-A23 HydrophobicContact CD1-CB 4.16Å; A23-W33 HydrophobicContact CB-CE3 4.06Å; A23-Q34 CarbonylContact C-O 3.51Å; A23-Q34 VanDerWaalsContact CA-O 3.23Å; A23-Q34 WeakPolarHBondContact CA-O 3.13Å; A23-A35 HydrophobicContact CB-CB 3.71Å; A23-I99 HydrophobicContact CB-CG2 4.32Å; A23-L103 HydrophobicContact CB-CD1 3.99Å
24G96.5Very high94.3Very high18 Ų1867.5 Ų67.519%0.18639%0.394CS..EExtended strand (participates in β ladder)trans-167.6167.1176.500000112.7W33 Q34G24-W33 CarbonylContact O-C 3.56Å; G24-W33 WeakPolarHBondContact O-CA 3.2Å; G24-W33 WeakPolarHBondContact O-CB 3.39Å; G24-Q34 PolarHBondContact N-O 2.93Å; G24-Q34 PolarHBondContact O-N 2.79Å
25P97.4Very high94.6Very high44 Ų4463.6 Ų63.629%0.28636%0.362SS..EExtended strand (participates in β ladder)trans-64.6147.818028-35.1000112.6L10 M30 H32L10-P25 HydrophobicContact CD2-CG 4.19Å; P25-M30 HydrophobicContact CB-SD 3.93Å; P25-M30 HydrophobicContact CG-SD 3.92Å; P25-H32 WeakPolarHBondContact CA-O 3.41Å
26V96Very high94.8Very high62 Ų6255.4 Ų55.438%0.37633%0.334SS..EExtended strand (participates in β ladder)trans-93.1107.6173.8-177.90000108.5D28 D29 H32 Q34V26-D28 PolarHBondContact O-N 2.81Å; V26-D29 PolarHBondContact O-N 3.09Å; V26-H32 PolarHBondContact N-O 2.99Å; V26-Q34 HydrophobicContact CG2-CB 3.79Å
27G94.1Very high95.1Very high64 Ų6449.8 Ų49.866%0.6630%0.304SS*.THydrogen-bonded Turntrans62.4-134.6-174.200000111.3
28D92.8Very high95.5Very high169 Ų16949.6 Ų49.690%0.90430%0.297SS*.THydrogen-bonded Turntrans-91.1-6.1-177.3-60.5-39.4000113.6V26 M30V26-D28 PolarHBondContact O-N 2.81Å; D28-M30 PolarHBondContact O-N 2.84Å
29D95.6Very high96Very high83 Ų8349.3 Ų49.344%0.44430%0.296SS..EExtended strand (participates in β ladder)trans-83.399.1-179.2-174.47.4000111.7V26 F31 H32V26-D29 PolarHBondContact O-N 3.09Å; D29-F31 PolarHBondContact O-N 2.64Å; D29-F31 WeakPolarHBondContact OD1-CB 3.32Å; D29-F31 PolarHBondContact OD1-N 3.13Å; D29-H32 HydrophobicContact CB-CB 4.29Å; D29-H32 PolarHBondContact O-N 3.48Å; D29-H32 VanDerWaalsContact O-N 3.13Å; D29-H32 WeakPolarHBondContact OD2-CB 3.48Å
30M96.1Very high96.3Very high31 Ų3146 Ų4615%0.15327%0.267CS..EExtended strand (participates in β ladder)trans-63.9-17.4175.9-70.2-62.7-58.100114.1L3 I6 L10 P25 D28 W33L3-M30 HydrophobicContact CD1-CB 3.54Å; L3-M30 HydrophobicContact CD1-CG 4Å; I6-M30 HydrophobicContact CG2-CE 3.91Å; I6-M30 WeakPolarHBondContact CG2-O 3.31Å; L10-M30 HydrophobicContact CD2-CE 3.82Å; L10-M30 HydrophobicContact CD2-SD 4.45Å; P25-M30 HydrophobicContact CB-SD 3.93Å; P25-M30 HydrophobicContact CG-SD 3.92Å; D28-M30 PolarHBondContact O-N 2.84Å; M30-W33 PolarHBondContact O-NE1 2.78Å
31F97.8Very high96.6Very high60 Ų6046.7 Ų46.726%0.26327%0.274SS..EExtended strand (participates in β ladder)trans-90.4-1.6177.4-72.1-99.6000113.2A2 L3 I6 D29 H55 F56A2-F31 HydrophobicContact CB-CE1 3.92Å; A2-F31 HydrophobicContact CB-CZ 4.1Å; L3-F31 HydrophobicContact CB-CE2 4.46Å; L3-F31 HydrophobicContact CB-CZ 4.43Å; L3-F31 HydrophobicContact CD1-CE2 4.04Å; I6-F31 HydrophobicContact CD1-CD1 3.81Å; I6-F31 HydrophobicContact CD1-CE1 3.74Å; I6-F31 HydrophobicContact CD1-CG 4.27Å; I6-F31 HydrophobicContact CD1-CZ 4.17Å; D29-F31 PolarHBondContact O-N 2.64Å; D29-F31 WeakPolarHBondContact OD1-CB 3.32Å; D29-F31 PolarHBondContact OD1-N 3.13Å; F31-H55 WeakPolarHBondContact O-CA 3.3Å; F31-F56 HydrophobicContact CB-CB 4.45Å; F31-F56 HydrophobicContact CD1-CB 3.82Å; F31-F56 WeakPolarHBondContact O-CD2 3.45Å; F31-F56 PolarHBondContact O-N 2.86Å
32H98.4Very high96.5Very high48 Ų4854 Ų5422%0.22231%0.313CS..EExtended strand (participates in β ladder)trans-124.8112174.7-179.6-149.7000110.7P25 V26 D29 T53 H55P25-H32 WeakPolarHBondContact CA-O 3.41Å; V26-H32 PolarHBondContact N-O 2.99Å; D29-H32 HydrophobicContact CB-CB 4.29Å; D29-H32 PolarHBondContact O-N 3.48Å; D29-H32 VanDerWaalsContact O-N 3.13Å; D29-H32 WeakPolarHBondContact OD2-CB 3.48Å; H32-T53 PolarHBondContact CD2-OG1 3.18Å; H32-T53 PolarHBondContact NE2-OG1 2.89Å; H32-H55 AromaticContact CD2-CD2 3.68Å; H32-H55 AromaticContact CD2-CE1 3.54Å; H32-H55 AromaticContact CD2-NE2 3.3Å; H32-H55 PolarHBondContact CD2-NE2 3.25Å; H32-H55 VanDerWaalsContact CD2-NE2 3.3Å; H32-H55 AromaticContact CG-NE2 3.9Å; H32-H55 AromaticContact NE2-CE1 3.55Å; H32-H55 AromaticContact NE2-NE2 3.49Å; H32-H55 PolarHBondContact NE2-NE2 3.19Å
33W98.4Very high96.5Very high0 Ų051.7 Ų51.70%030%0.297CS..EExtended strand (participates in β ladder)trans-112.9151.6178.2-71.217.6000111.5I6 E9 L10 L13 A23 G24 M30 I54 F56 I99I6-W33 HydrophobicContact CG2-CH2 4.39Å; I6-W33 HydrophobicContact CG2-CZ2 3.45Å; I6-W33 VanDerWaalsContact CG2-CZ2 3.45Å; E9-W33 HydrophobicContact CB-CH2 4.32Å; L10-W33 HydrophobicContact CB-CH2 3.81Å; L10-W33 HydrophobicContact CB-CZ2 3.77Å; L10-W33 HydrophobicContact CD1-CH2 4.21Å; L10-W33 HydrophobicContact CD1-CZ2 4.17Å; L10-W33 HydrophobicContact CG-CZ2 4.42Å; L13-W33 HydrophobicContact CD1-CE3 4.36Å; L13-W33 HydrophobicContact CD1-CH2 4.1Å; L13-W33 HydrophobicContact CD1-CZ3 3.45Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.45Å; A23-W33 HydrophobicContact CB-CE3 4.06Å; G24-W33 CarbonylContact O-C 3.56Å; G24-W33 WeakPolarHBondContact O-CA 3.2Å; G24-W33 WeakPolarHBondContact O-CB 3.39Å; M30-W33 PolarHBondContact O-NE1 2.78Å; W33-I54 HydrophobicContact CB-CB 4.1Å; W33-I54 PolarHBondContact N-O 2.96Å; W33-I54 PolarHBondContact O-N 2.62Å; W33-F56 HydrophobicContact CB-CE2 4.09Å; W33-F56 AromaticContact CD1-CE2 3.62Å; W33-F56 AromaticContact CD2-CE2 3.53Å; W33-F56 HydrophobicContact CD2-CE2 3.53Å; W33-F56 AromaticContact CD2-CZ 3.68Å; W33-F56 HydrophobicContact CD2-CZ 3.68Å; W33-F56 AromaticContact CE2-CE2 3.71Å; W33-F56 AromaticContact CE2-CZ 3.88Å; W33-F56 HydrophobicContact CE3-CE2 4.07Å; W33-F56 AromaticContact CE3-CZ 3.75Å; W33-F56 HydrophobicContact CE3-CZ 3.75Å; W33-F56 AromaticContact CG-CE2 3.53Å; W33-F56 HydrophobicContact CG-CE2 3.53Å; W33-F56 HydrophobicContact CG-CZ 4.15Å; W33-F56 HydrophobicContact CH2-CZ 4.24Å; W33-F56 HydrophobicContact CZ2-CE2 4.41Å; W33-F56 HydrophobicContact CZ2-CZ 4.19Å; W33-F56 HydrophobicContact CZ3-CZ 4.01Å; W33-F56 AromaticContact NE1-CE2 3.73Å; W33-I99 HydrophobicContact CE3-CG2 4.35Å; W33-I99 HydrophobicContact CZ3-CB 4.29Å; W33-I99 HydrophobicContact CZ3-CG1 4.11Å; W33-I99 HydrophobicContact CZ3-CG2 4.19Å
34Q98.3Very high96.6Very high99 Ų9951.4 Ų51.446%0.46329%0.293SS..EExtended strand (participates in β ladder)trans-103.5138.1162.2-178.1176.57900108.3A23 G24 V26 F51 L52A23-Q34 CarbonylContact C-O 3.51Å; A23-Q34 VanDerWaalsContact CA-O 3.23Å; A23-Q34 WeakPolarHBondContact CA-O 3.13Å; G24-Q34 PolarHBondContact N-O 2.93Å; G24-Q34 PolarHBondContact O-N 2.79Å; V26-Q34 HydrophobicContact CG2-CB 3.79Å; Q34-F51 HydrophobicContact CG-CD1 4.5Å; Q34-L52 WeakPolarHBondContact CA-O 3.42Å
35A98.2Very high96.6Very high0 Ų050.6 Ų50.60%028%0.284CS..EExtended strand (participates in β ladder)trans-120.6153.1170.600000110.7S22 A23 F51 L52 I54 L103S22-A35 CarbonylContact O-C 3.57Å; S22-A35 WeakPolarHBondContact O-CA 3.38Å; S22-A35 WeakPolarHBondContact O-CB 3.44Å; A23-A35 HydrophobicContact CB-CB 3.71Å; A35-F51 CarbonylContact O-C 3.27Å; A35-F51 WeakPolarHBondContact O-CA 3.39Å; A35-L52 HydrophobicContact CB-CB 4.32Å; A35-L52 PolarHBondContact N-O 3.14Å; A35-L52 PolarHBondContact O-N 3.41Å; A35-I54 HydrophobicContact CB-CD1 3.78Å; A35-I54 HydrophobicContact CB-CG1 4.43Å; A35-L103 HydrophobicContact CB-CD1 4.28Å; A35-L103 HydrophobicContact CB-CD2 3.68Å
36T97.7Very high96.6Very high24 Ų2453.1 Ų53.115%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-122.7132174.4-53.30000108.6C21 S22 V49 F50 F51C21-T36 CarbonylContact C-O 3.52Å; C21-T36 VanDerWaalsContact CA-O 3.29Å; C21-T36 WeakPolarHBondContact CA-O 3.33Å; S22-T36 PolarHBondContact N-O 2.91Å; S22-T36 PolarHBondContact O-N 2.88Å; S22-T36 WeakPolarHBondContact OG-CB 3.34Å; T36-V49 HydrophobicContact CG2-CG1 3.41Å; T36-V49 VanDerWaalsContact CG2-CG1 3.41Å; T36-F50 CarbonylContact C-O 3.5Å; T36-F50 WeakPolarHBondContact CA-O 3.38Å; T36-F51 HydrophobicContact CG2-CD1 4.46Å; T36-F51 HydrophobicContact CG2-CE1 4.25Å
37I97.8Very high96.7Very high0 Ų052.3 Ų52.30%030%0.297CS..EExtended strand (participates in β ladder)trans-118.9123.3171.5-68.2178000107.5F50 L52 L103 I106 C107 L110I37-F50 PolarHBondContact N-O 3.25Å; I37-F50 PolarHBondContact O-N 3.02Å; I37-L52 HydrophobicContact CB-CD1 4.17Å; I37-L52 HydrophobicContact CD1-CD1 3.7Å; I37-L52 HydrophobicContact CD1-CD2 4.22Å; I37-L52 HydrophobicContact CG1-CD1 3.78Å; I37-L103 HydrophobicContact CD1-CD2 4.18Å; I37-L103 HydrophobicContact CG1-CD2 4.35Å; I37-I106 HydrophobicContact CD1-CB 3.92Å; I37-I106 HydrophobicContact CD1-CG2 3.51Å; I37-C107 WeakPolarHBondContact CG2-SG 3.46Å; I37-L110 HydrophobicContact CG2-CD1 4.01Å
38M97.8Very high96.9Very high77 Ų7749.3 Ų49.338%0.37927%0.265SS..EExtended strand (participates in β ladder)trans-75.7135.3168.7-53.5-61.2-62.300108.7Q20 P40 V49Q20-M38 HydrophobicContact CB-CB 3.94Å; Q20-M38 HydrophobicContact CB-CG 4.35Å; Q20-M38 HydrophobicContact CG-CB 4.26Å; Q20-M38 WeakPolarHBondContact O-CG 3.47Å; Q20-M38 PolarHBondContact O-N 2.9Å; M38-P40 WeakPolarHBondContact O-CD 3.27Å; M38-V49 HydrophobicContact CE-CG2 3.81Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 4.01Å
39G97.2Very high97.1Very high4 Ų443.4 Ų43.44%0.04124%0.235CC..PPolyproline II helixtrans-54.7121.2174.200000111.3Y45 G48G39-Y45 VanDerWaalsContact CA-O 3.27Å; G39-Y45 WeakPolarHBondContact CA-O 3.46Å; G39-G48 PolarHBondContact N-O 2.79Å
40P96Very high97.3Very high6 Ų639.4 Ų39.44%0.03921%0.214CC..PPolyproline II helixtrans-58.4148.3-176-26.334.8000112.6M38 S43 Q46 L110 C111M38-P40 WeakPolarHBondContact O-CD 3.27Å; P40-S43 WeakPolarHBondContact O-CB 3.26Å; P40-S43 PolarHBondContact O-N 3.15Å; P40-S43 PolarHBondContact O-OG 2.81Å; P40-Q46 WeakPolarHBondContact O-CA 3.38Å; P40-Q46 WeakPolarHBondContact O-CB 3.49Å; P40-L110 HydrophobicContact CG-CB 4.24Å; P40-C111 WeakPolarHBondContact CB-SG 3.48Å; P40-C111 VanDerWaalsContact CG-SG 3.58Å
41N94.3Very high97.4Very high102 Ų10241.7 Ų41.755%0.54522%0.223SC..THydrogen-bonded Turntrans-63.2151.8172.9-66-24.8000110.5S43N41-S43 PolarHBondContact O-N 2.82Å; N41-S43 VanDerWaalsContact O-N 3.09Å
42D93.6Very high97.4Very high163 Ų16338.9 Ų38.987%0.87221%0.211SC*.THydrogen-bonded Turntrans5920.3-179.6-54.7-52.2000113.9
43S96Very high97.4Very high12 Ų1237.9 Ų37.98%0.08421%0.208CC..SBendtrans-113.5160.3174.784.60000110.7P40 N41 Y45 Q46P40-S43 WeakPolarHBondContact O-CB 3.26Å; P40-S43 PolarHBondContact O-N 3.15Å; P40-S43 PolarHBondContact O-OG 2.81Å; N41-S43 PolarHBondContact O-N 2.82Å; N41-S43 VanDerWaalsContact O-N 3.09Å; S43-Y45 PolarHBondContact O-N 3.41Å; S43-Y45 VanDerWaalsContact O-N 3.09Å; S43-Y45 WeakPolarHBondContact OG-CB 3.43Å; S43-Y45 PolarHBondContact OG-N 3.47Å; S43-Y45 VanDerWaalsContact OG-N 3.13Å; S43-Q46 WeakPolarHBondContact O-CB 3.43Å; S43-Q46 PolarHBondContact O-N 2.95Å; S43-Q46 PolarHBondContact OG-N 3.09Å
44P97.9Very high97.4Very high14 Ų1437.9 Ų37.99%0.09121%0.208CC..THydrogen-bonded Turntrans-66.7-6.9172.130.6-36.3000113.4Y134 N135 A138 R139 T142P44-Y134 HydrophobicContact CG-CE1 4.17Å; P44-N135 HydrophobicContact CB-CB 4.45Å; P44-A138 HydrophobicContact CB-CB 3.57Å; P44-A138 HydrophobicContact CG-CB 3.77Å; P44-R139 HydrophobicContact CB-CG 3.83Å; P44-R139 WeakPolarHBondContact O-CA 3.4Å; P44-R139 WeakPolarHBondContact O-CG 3.42Å; P44-T142 PolarHBondContact O-OG1 3.17Å
45Y98.2Very high97.4Very high0 Ų037 Ų370%020%0.204CC..THydrogen-bonded Turntrans-93.7-8.4177.8-52.3-64.3000113.1G39 S43 G47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142G39-Y45 VanDerWaalsContact CA-O 3.27Å; G39-Y45 WeakPolarHBondContact CA-O 3.46Å; S43-Y45 PolarHBondContact O-N 3.41Å; S43-Y45 VanDerWaalsContact O-N 3.09Å; S43-Y45 WeakPolarHBondContact OG-CB 3.43Å; S43-Y45 PolarHBondContact OG-N 3.47Å; S43-Y45 VanDerWaalsContact OG-N 3.13Å; Y45-G47 PolarHBondContact O-N 3.48Å; Y45-G48 PolarHBondContact O-N 2.94Å; Y45-F50 AromaticContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CG-CZ 4.3Å; Y45-I73 HydrophobicContact CD1-CD1 3.89Å; Y45-I73 HydrophobicContact CD1-CG1 4.03Å; Y45-I73 HydrophobicContact CE1-CD1 3.68Å; Y45-I73 HydrophobicContact CE1-CG1 3.55Å; Y45-Y74 PolarHBondContact OH-O 3.26Å; Y45-H75 AromaticContact CZ-CD2 3.86Å; Y45-H75 WeakPolarHBondContact OH-CB 3.17Å; Y45-H75 PolarHBondContact OH-CD2 3.06Å; Y45-L110 HydrophobicContact CD2-CB 3.96Å; Y45-L110 HydrophobicContact CD2-CD2 4.49Å; Y45-L110 HydrophobicContact CE2-CB 4.2Å; Y45-L110 HydrophobicContact CE2-CD2 4.31Å; Y45-L110 VanDerWaalsContact CE2-O 3.26Å; Y45-L110 WeakPolarHBondContact CE2-O 3.45Å; Y45-Y134 PolarHBondContact OH-OH 3.45Å; Y45-A138 HydrophobicContact CE1-CB 4.14Å; Y45-T142 WeakPolarHBondContact O-CG2 3.33Å
46Q97.5Very high97.4Very high98 Ų9837.6 Ų37.646%0.45821%0.207SC..THydrogen-bonded Turntrans-50.2132.6-177-177.7173.7-27.100112.2P40 S43 G48P40-Q46 WeakPolarHBondContact O-CA 3.38Å; P40-Q46 WeakPolarHBondContact O-CB 3.49Å; S43-Q46 WeakPolarHBondContact O-CB 3.43Å; S43-Q46 PolarHBondContact O-N 2.95Å; S43-Q46 PolarHBondContact OG-N 3.09Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 3.29Å
47G96.7Very high97.4Very high45 Ų4538.1 Ų38.146%0.46421%0.21SC..THydrogen-bonded Turntrans85-10.9-178.500000114.7Y45Y45-G47 PolarHBondContact O-N 3.48Å
48G98.1Very high97.3Very high0 Ų044.2 Ų44.20%025%0.247CC..  trans-79.1154.4173.200000113.7G39 Y45 Q46 A146G39-G48 PolarHBondContact N-O 2.79Å; Y45-G48 PolarHBondContact O-N 2.94Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 3.29Å; G48-A146 CarbonylContact C-O 3.53Å; G48-A146 WeakPolarHBondContact CA-O 3.4Å
49V98.3Very high97.3Very high45 Ų4543 Ų4327%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-118.2112.9172.1-174.40000108.1T36 M38 F51 A146T36-V49 HydrophobicContact CG2-CG1 3.41Å; T36-V49 VanDerWaalsContact CG2-CG1 3.41Å; M38-V49 HydrophobicContact CE-CG2 3.81Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 4.01Å; V49-F51 HydrophobicContact CG1-CE1 4.28Å; V49-F51 HydrophobicContact CG1-CE2 4.25Å; V49-F51 HydrophobicContact CG1-CZ 3.9Å; V49-A146 PolarHBondContact N-O 3.47Å
50F98.6Very high97.3Very high0 Ų042.9 Ų42.90%024%0.241CC..EExtended strand (participates in β ladder)trans-107.3121.3-176.5-59.9-88.5000110.6T36 I37 Y45 L52 F69 T71 I73 T142 A146T36-F50 CarbonylContact C-O 3.5Å; T36-F50 WeakPolarHBondContact CA-O 3.38Å; I37-F50 PolarHBondContact N-O 3.25Å; I37-F50 PolarHBondContact O-N 3.02Å; Y45-F50 AromaticContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CG-CZ 4.3Å; F50-L52 WeakPolarHBondContact O-CD1 3.43Å; F50-F69 HydrophobicContact CB-CD1 4.14Å; F50-F69 HydrophobicContact CB-CE1 3.77Å; F50-F69 HydrophobicContact CD1-CD1 4.45Å; F50-F69 HydrophobicContact CD1-CE1 4.27Å; F50-F69 HydrophobicContact CG-CE1 4.19Å; F50-T71 HydrophobicContact CD1-CG2 3.75Å; F50-T71 HydrophobicContact CE1-CG2 4.32Å; F50-I73 HydrophobicContact CD1-CB 4.29Å; F50-I73 HydrophobicContact CD1-CD1 3.96Å; F50-I73 HydrophobicContact CD1-CG1 4.34Å; F50-I73 HydrophobicContact CE1-CB 4.08Å; F50-I73 HydrophobicContact CE1-CD1 3.72Å; F50-I73 HydrophobicContact CE1-CG1 3.83Å; F50-I73 HydrophobicContact CZ-CD1 4.21Å; F50-T142 HydrophobicContact CZ-CG2 4.03Å; F50-A146 HydrophobicContact CD1-CB 4.01Å; F50-A146 HydrophobicContact CE1-CB 3.61Å; F50-A146 HydrophobicContact CE2-CB 4.26Å; F50-A146 HydrophobicContact CG-CB 4.5Å; F50-A146 HydrophobicContact CZ-CB 3.75Å
51F98.4Very high97.4Very high79 Ų7943.4 Ų43.435%0.34624%0.244SC..EExtended strand (participates in β ladder)trans-92.1136.3175.8-61.3-72.8000110.5Q34 A35 T36 V49 T70 T71Q34-F51 HydrophobicContact CG-CD1 4.5Å; A35-F51 CarbonylContact O-C 3.27Å; A35-F51 WeakPolarHBondContact O-CA 3.39Å; T36-F51 HydrophobicContact CG2-CD1 4.46Å; T36-F51 HydrophobicContact CG2-CE1 4.25Å; V49-F51 HydrophobicContact CG1-CE1 4.28Å; V49-F51 HydrophobicContact CG1-CE2 4.25Å; V49-F51 HydrophobicContact CG1-CZ 3.9Å; F51-T70 WeakPolarHBondContact CB-OG1 3.5Å; F51-T70 PolarHBondContact O-N 3.03Å; F51-T70 PolarHBondContact O-OG1 3.2Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.48Å; F51-T71 PolarHBondContact N-OG1 3.28Å; F51-T71 PolarHBondContact O-N 3.24Å; F51-T71 VanDerWaalsContact O-N 3.15Å
52L98.6Very high97.5Very high1 Ų145.9 Ų45.91%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-124.5152175.4-60.988.2000109.8Q34 A35 I37 F50 V67 A68 F69 I84 I106Q34-L52 WeakPolarHBondContact CA-O 3.42Å; A35-L52 HydrophobicContact CB-CB 4.32Å; A35-L52 PolarHBondContact N-O 3.14Å; A35-L52 PolarHBondContact O-N 3.41Å; I37-L52 HydrophobicContact CB-CD1 4.17Å; I37-L52 HydrophobicContact CD1-CD1 3.7Å; I37-L52 HydrophobicContact CD1-CD2 4.22Å; I37-L52 HydrophobicContact CG1-CD1 3.78Å; F50-L52 WeakPolarHBondContact O-CD1 3.43Å; L52-V67 HydrophobicContact CD2-CG1 3.87Å; L52-A68 CarbonylContact C-O 3.56Å; L52-A68 WeakPolarHBondContact CA-O 3.45Å; L52-A68 WeakPolarHBondContact CB-O 3.29Å; L52-F69 HydrophobicContact CD1-CD1 4.38Å; L52-F69 HydrophobicContact CD1-CE1 4.14Å; L52-F69 HydrophobicContact CD1-CZ 4.37Å; L52-F69 HydrophobicContact CD2-CD1 4.48Å; L52-F69 HydrophobicContact CD2-CD2 3.84Å; L52-F69 HydrophobicContact CD2-CE1 4.34Å; L52-F69 HydrophobicContact CD2-CE2 3.66Å; L52-F69 HydrophobicContact CD2-CG 4.25Å; L52-F69 HydrophobicContact CD2-CZ 3.93Å; L52-F69 HydrophobicContact CG-CD1 4.12Å; L52-F69 HydrophobicContact CG-CD2 4.23Å; L52-F69 HydrophobicContact CG-CE1 4.22Å; L52-F69 HydrophobicContact CG-CE2 4.32Å; L52-F69 HydrophobicContact CG-CG 4.12Å; L52-F69 HydrophobicContact CG-CZ 4.32Å; L52-I84 HydrophobicContact CD2-CD1 4.12Å; L52-I106 HydrophobicContact CD2-CD1 3.98Å; L52-I106 HydrophobicContact CD2-CG2 4.38Å
53T98.5Very high97.6Very high26 Ų2643.7 Ų43.716%0.1623%0.233CC..EExtended strand (participates in β ladder)trans-107.1139.6168.3-173.10000110.2H32 H55 V67 A68 T70H32-T53 PolarHBondContact CD2-OG1 3.18Å; H32-T53 PolarHBondContact NE2-OG1 2.89Å; T53-H55 PolarHBondContact OG1-CE1 3.22Å; T53-H55 PolarHBondContact OG1-ND1 3.2Å; T53-V67 WeakPolarHBondContact O-CA 3.45Å; T53-A68 HydrophobicContact CG2-CB 4.2Å; T53-A68 PolarHBondContact N-O 3.24Å; T53-A68 PolarHBondContact O-N 2.86Å; T53-T70 HydrophobicContact CG2-CG2 3.93Å
54I98.6Very high97.7Very high0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-125.7121.6179.7-56.4175.7000107.3W33 A35 F56 P65 K66 V67 I99W33-I54 HydrophobicContact CB-CB 4.1Å; W33-I54 PolarHBondContact N-O 2.96Å; W33-I54 PolarHBondContact O-N 2.62Å; A35-I54 HydrophobicContact CB-CD1 3.78Å; A35-I54 HydrophobicContact CB-CG1 4.43Å; I54-F56 HydrophobicContact CG2-CD2 4.4Å; I54-F56 HydrophobicContact CG2-CE1 4.39Å; I54-F56 HydrophobicContact CG2-CE2 3.88Å; I54-F56 HydrophobicContact CG2-CZ 3.89Å; I54-P65 HydrophobicContact CG2-CB 3.86Å; I54-K66 CarbonylContact C-O 3.57Å; I54-K66 WeakPolarHBondContact CA-O 3.15Å; I54-V67 HydrophobicContact CG1-CG1 4.2Å; I54-V67 HydrophobicContact CG1-CG2 4.16Å; I54-V67 HydrophobicContact CG2-CG2 4.29Å; I54-I99 HydrophobicContact CD1-CG2 3.79Å; I54-I99 HydrophobicContact CG2-CD1 3.95Å
55H98.4Very high97.7Very high81 Ų8144.5 Ų44.538%0.37524%0.238SC..EExtended strand (participates in β ladder)trans-115.2121.4173.8-64.781000110F31 H32 T53 P65 K66F31-H55 WeakPolarHBondContact O-CA 3.3Å; H32-H55 AromaticContact CD2-CD2 3.68Å; H32-H55 AromaticContact CD2-CE1 3.54Å; H32-H55 AromaticContact CD2-NE2 3.3Å; H32-H55 PolarHBondContact CD2-NE2 3.25Å; H32-H55 VanDerWaalsContact CD2-NE2 3.3Å; H32-H55 AromaticContact CG-NE2 3.9Å; H32-H55 AromaticContact NE2-CE1 3.55Å; H32-H55 AromaticContact NE2-NE2 3.49Å; H32-H55 PolarHBondContact NE2-NE2 3.19Å; T53-H55 PolarHBondContact OG1-CE1 3.22Å; T53-H55 PolarHBondContact OG1-ND1 3.2Å; H55-P65 CarbonylContact O-C 3.54Å; H55-P65 VanDerWaalsContact O-CA 3.31Å; H55-P65 WeakPolarHBondContact O-CA 3.21Å; H55-K66 HydrophobicContact CB-CB 4.34Å; H55-K66 PolarHBondContact N-O 2.88Å; H55-K66 PolarHBondContact O-N 3.22Å
56F98.3Very high97.7Very high13 Ų1352.5 Ų52.56%0.05727%0.273CS..  trans-85.1132177.9-60.2-92.9000110I6 F31 W33 I54 Y60 P65 I99I6-F56 HydrophobicContact CD1-CB 3.72Å; I6-F56 HydrophobicContact CD1-CD1 4.02Å; I6-F56 HydrophobicContact CD1-CD2 4.19Å; I6-F56 HydrophobicContact CD1-CG 3.72Å; I6-F56 HydrophobicContact CG1-CD1 3.89Å; I6-F56 HydrophobicContact CG1-CE1 4.17Å; I6-F56 HydrophobicContact CG1-CG 4.09Å; F31-F56 HydrophobicContact CB-CB 4.45Å; F31-F56 HydrophobicContact CD1-CB 3.82Å; F31-F56 WeakPolarHBondContact O-CD2 3.45Å; F31-F56 PolarHBondContact O-N 2.86Å; W33-F56 HydrophobicContact CB-CE2 4.09Å; W33-F56 AromaticContact CD1-CE2 3.62Å; W33-F56 AromaticContact CD2-CE2 3.53Å; W33-F56 HydrophobicContact CD2-CE2 3.53Å; W33-F56 AromaticContact CD2-CZ 3.68Å; W33-F56 HydrophobicContact CD2-CZ 3.68Å; W33-F56 AromaticContact CE2-CE2 3.71Å; W33-F56 AromaticContact CE2-CZ 3.88Å; W33-F56 HydrophobicContact CE3-CE2 4.07Å; W33-F56 AromaticContact CE3-CZ 3.75Å; W33-F56 HydrophobicContact CE3-CZ 3.75Å; W33-F56 AromaticContact CG-CE2 3.53Å; W33-F56 HydrophobicContact CG-CE2 3.53Å; W33-F56 HydrophobicContact CG-CZ 4.15Å; W33-F56 HydrophobicContact CH2-CZ 4.24Å; W33-F56 HydrophobicContact CZ2-CE2 4.41Å; W33-F56 HydrophobicContact CZ2-CZ 4.19Å; W33-F56 HydrophobicContact CZ3-CZ 4.01Å; W33-F56 AromaticContact NE1-CE2 3.73Å; I54-F56 HydrophobicContact CG2-CD2 4.4Å; I54-F56 HydrophobicContact CG2-CE1 4.39Å; I54-F56 HydrophobicContact CG2-CE2 3.88Å; I54-F56 HydrophobicContact CG2-CZ 3.89Å; F56-Y60 AromaticContact CD1-CD1 3.88Å; F56-Y60 HydrophobicContact CD1-CD1 3.88Å; F56-Y60 AromaticContact CD1-CD2 3.82Å; F56-Y60 HydrophobicContact CD1-CD2 3.82Å; F56-Y60 AromaticContact CD1-CE1 3.91Å; F56-Y60 HydrophobicContact CD1-CE1 3.91Å; F56-Y60 AromaticContact CD1-CE2 3.86Å; F56-Y60 HydrophobicContact CD1-CE2 3.86Å; F56-Y60 AromaticContact CD1-CG 3.84Å; F56-Y60 HydrophobicContact CD1-CG 3.84Å; F56-Y60 AromaticContact CD1-CZ 3.9Å; F56-Y60 HydrophobicContact CE1-CD1 4.44Å; F56-Y60 HydrophobicContact CE1-CE1 4.02Å; F56-Y60 HydrophobicContact CE1-CE2 4.19Å; F56-Y60 AromaticContact CE1-CZ 3.89Å; F56-P65 HydrophobicContact CD1-CB 4.28Å; F56-I99 HydrophobicContact CE1-CD1 3.62Å; F56-I99 HydrophobicContact CE1-CG1 3.69Å; F56-I99 HydrophobicContact CZ-CD1 3.87Å; F56-I99 HydrophobicContact CZ-CG1 3.74Å
57P97.3Very high97.8Very high34 Ų3448.5 Ų48.522%0.22126%0.255CS..  trans-72.2159.8169.733.4-37.1000110.6D59 Y60 K63 P64P57-D59 WeakPolarHBondContact CB-OD1 3.48Å; P57-D59 PolarHBondContact O-N 2.81Å; P57-Y60 VanDerWaalsContact O-CB 3.27Å; P57-Y60 WeakPolarHBondContact O-CB 3.37Å; P57-Y60 PolarHBondContact O-N 3.03Å; P57-K63 HydrophobicContact CB-CB 4.36Å; P57-K63 HydrophobicContact CG-CB 3.74Å; P57-P64 WeakPolarHBondContact CD-O 3.38Å; P57-P64 WeakPolarHBondContact CG-O 3.45Å
58T96.1Very high97.8Very high128 Ų12847.5 Ų47.579%0.78524%0.243SC*.THydrogen-bonded Turntrans-64.7-22.8-178.751.60000113.5A2A2-T58 WeakPolarHBondContact CB-O 3.45Å
59D96.4Very high97.9Very high51 Ų5148 Ų4827%0.27325%0.245SC..THydrogen-bonded Turntrans-98.415.8175.959-4.5000113.4P57 F62 K63P57-D59 WeakPolarHBondContact CB-OD1 3.48Å; P57-D59 PolarHBondContact O-N 2.81Å; D59-F62 WeakPolarHBondContact O-CB 3.29Å; D59-F62 WeakPolarHBondContact O-CD2 3.46Å; D59-F62 PolarHBondContact O-N 3Å; D59-K63 WeakPolarHBondContact OD1-CB 3.48Å; D59-K63 WeakPolarHBondContact OD1-CD 3.23Å; D59-K63 WeakPolarHBondContact OD2-CD 3.44Å; D59-K63 WeakPolarHBondContact OD2-CE 3.35Å; D59-K63 WeakPolarHBondContact OD2-CG 3.49Å; D59-K63 IonicContact OD2-NZ 3.57Å; D59-K63 PolarHBondContact OD2-NZ 3.27Å
60Y98Very high97.9Very high2 Ų249.8 Ų49.81%0.00826%0.256CS..THydrogen-bonded Turntrans-54.9135.9171-171.8-99.5000111.1A2 R5 I6 E9 F56 P57 K63 P65 W93A2-Y60 VanDerWaalsContact CA-O 3.24Å; A2-Y60 WeakPolarHBondContact CA-O 3.4Å; A2-Y60 VanDerWaalsContact CB-O 3.25Å; A2-Y60 WeakPolarHBondContact CB-O 3.36Å; R5-Y60 HydrophobicContact CG-CD1 3.94Å; R5-Y60 HydrophobicContact CG-CE1 3.7Å; I6-Y60 HydrophobicContact CD1-CD1 4.47Å; I6-Y60 HydrophobicContact CG1-CD1 3.86Å; I6-Y60 HydrophobicContact CG1-CE1 4.24Å; E9-Y60 PolarHBondContact OE1-OH 2.74Å; F56-Y60 AromaticContact CD1-CD1 3.88Å; F56-Y60 HydrophobicContact CD1-CD1 3.88Å; F56-Y60 AromaticContact CD1-CD2 3.82Å; F56-Y60 HydrophobicContact CD1-CD2 3.82Å; F56-Y60 AromaticContact CD1-CE1 3.91Å; F56-Y60 HydrophobicContact CD1-CE1 3.91Å; F56-Y60 AromaticContact CD1-CE2 3.86Å; F56-Y60 HydrophobicContact CD1-CE2 3.86Å; F56-Y60 AromaticContact CD1-CG 3.84Å; F56-Y60 HydrophobicContact CD1-CG 3.84Å; F56-Y60 AromaticContact CD1-CZ 3.9Å; F56-Y60 HydrophobicContact CE1-CD1 4.44Å; F56-Y60 HydrophobicContact CE1-CE1 4.02Å; F56-Y60 HydrophobicContact CE1-CE2 4.19Å; F56-Y60 AromaticContact CE1-CZ 3.89Å; P57-Y60 VanDerWaalsContact O-CB 3.27Å; P57-Y60 WeakPolarHBondContact O-CB 3.37Å; P57-Y60 PolarHBondContact O-N 3.03Å; Y60-K63 WeakPolarHBondContact CD2-O 3.15Å; Y60-P65 HydrophobicContact CE2-CB 4.46Å; Y60-P65 HydrophobicContact CE2-CG 4.27Å; 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 3.5Å; Y60-W93 HydrophobicContact CE2-CZ2 3.5Å; Y60-W93 VanDerWaalsContact CE2-CZ2 3.5Å
61P96.9Very high97.9Very high17 Ų1750.5 Ų50.511%0.1126%0.26CS..THydrogen-bonded Turncis-95.413.88.639.4-37.1000114.7R5 K63 W93 P95R5-P61 HydrophobicContact CG-CB 4.37Å; R5-P61 HydrophobicContact CG-CG 4.16Å; P61-K63 VanDerWaalsContact C-N 3.3Å; P61-K63 PolarHBondContact O-N 2.94Å; P61-W93 HydrophobicContact CB-CZ2 4.46Å; P61-W93 PolarHBondContact O-NE1 3.15Å; P61-P95 HydrophobicContact CB-CB 4.31Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.32Å
62F96.9Very high97.8Very high154 Ų15454 Ų5468%0.67527%0.271SS*.SBendtrans-70.1-28.4-179.7-61-72.6000112.8D59 P95D59-F62 WeakPolarHBondContact O-CB 3.29Å; D59-F62 WeakPolarHBondContact O-CD2 3.46Å; D59-F62 PolarHBondContact O-N 3Å; F62-P95 HydrophobicContact CD1-CG 4.19Å
63K97.2Very high97.8Very high118 Ų11854.6 Ų54.651%0.51327%0.274SS..SBendtrans-110.9149.1166.1-70.6-170.2-175.6128.30111.5P57 D59 Y60 P61P57-K63 HydrophobicContact CB-CB 4.36Å; P57-K63 HydrophobicContact CG-CB 3.74Å; D59-K63 WeakPolarHBondContact OD1-CB 3.48Å; D59-K63 WeakPolarHBondContact OD1-CD 3.23Å; D59-K63 WeakPolarHBondContact OD2-CD 3.44Å; D59-K63 WeakPolarHBondContact OD2-CE 3.35Å; D59-K63 WeakPolarHBondContact OD2-CG 3.49Å; D59-K63 IonicContact OD2-NZ 3.57Å; D59-K63 PolarHBondContact OD2-NZ 3.27Å; Y60-K63 WeakPolarHBondContact CD2-O 3.15Å; P61-K63 VanDerWaalsContact C-N 3.3Å; P61-K63 PolarHBondContact O-N 2.94Å
64P97.5Very high97.8Very high39 Ų3954.5 Ų54.525%0.25327%0.271SS..PPolyproline II helixtrans-64.9153.1177.425-32.5000112.1P57 W93P57-P64 WeakPolarHBondContact CD-O 3.38Å; P57-P64 WeakPolarHBondContact CG-O 3.45Å; P64-W93 HydrophobicContact CB-CB 3.95Å; P64-W93 HydrophobicContact CB-CD2 3.54Å; P64-W93 HydrophobicContact CB-CE3 3.86Å; P64-W93 HydrophobicContact CB-CG 3.55Å; P64-W93 HydrophobicContact CG-CB 4.19Å; P64-W93 HydrophobicContact CG-CG 4.08Å
65P97.9Very high97.8Very high4 Ų454.5 Ų54.53%0.02627%0.271CS..PPolyproline II helixtrans-71.1149.116733.2-30.1000109.5I54 H55 F56 Y60 V67 W93 I99I54-P65 HydrophobicContact CG2-CB 3.86Å; H55-P65 CarbonylContact O-C 3.54Å; H55-P65 VanDerWaalsContact O-CA 3.31Å; H55-P65 WeakPolarHBondContact O-CA 3.21Å; F56-P65 HydrophobicContact CD1-CB 4.28Å; Y60-P65 HydrophobicContact CE2-CB 4.46Å; Y60-P65 HydrophobicContact CE2-CG 4.27Å; P65-V67 HydrophobicContact CB-CG2 4.42Å; P65-V67 HydrophobicContact CG-CG2 4.15Å; P65-V67 PolarHBondContact O-N 2.87Å; P65-W93 VanDerWaalsContact CD-CH2 3.48Å; P65-W93 HydrophobicContact CG-CH2 4.23Å; P65-W93 HydrophobicContact CG-CZ3 4.27Å; P65-I99 HydrophobicContact CB-CD1 4.32Å; P65-I99 HydrophobicContact CG-CD1 3.81Å
66K98.1Very high97.8Very high167 Ų16750.6 Ų50.673%0.72625%0.253SS*.EExtended strand (participates in β ladder)trans-82.7116.3169-65.5-178.7-179.9178.10108.3I54 H55I54-K66 CarbonylContact C-O 3.57Å; I54-K66 WeakPolarHBondContact CA-O 3.15Å; H55-K66 HydrophobicContact CB-CB 4.34Å; H55-K66 PolarHBondContact N-O 2.88Å; H55-K66 PolarHBondContact O-N 3.22Å
67V98.6Very high97.8Very high15 Ų1550 Ų509%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-115.4131.7178.9-172.60000109.6L52 T53 I54 P65 I84 L89 V102 I106L52-V67 HydrophobicContact CD2-CG1 3.87Å; T53-V67 WeakPolarHBondContact O-CA 3.45Å; I54-V67 HydrophobicContact CG1-CG1 4.2Å; I54-V67 HydrophobicContact CG1-CG2 4.16Å; I54-V67 HydrophobicContact CG2-CG2 4.29Å; P65-V67 HydrophobicContact CB-CG2 4.42Å; P65-V67 HydrophobicContact CG-CG2 4.15Å; P65-V67 PolarHBondContact O-N 2.87Å; V67-I84 HydrophobicContact CG1-CD1 4.03Å; V67-L89 HydrophobicContact CB-CD1 4.09Å; V67-L89 HydrophobicContact CB-CD2 4.3Å; V67-L89 HydrophobicContact CG2-CD2 3.84Å; V67-V102 HydrophobicContact CG2-CG1 4.19Å; V67-I106 HydrophobicContact CG1-CD1 3.89Å
68A98.4Very high97.9Very high24 Ų2448.5 Ų48.520%0.19824%0.241CC..EExtended strand (participates in β ladder)trans-144.9146.6176.100000111.3L52 T53 G82L52-A68 CarbonylContact C-O 3.56Å; L52-A68 WeakPolarHBondContact CA-O 3.45Å; L52-A68 WeakPolarHBondContact CB-O 3.29Å; T53-A68 HydrophobicContact CG2-CB 4.2Å; T53-A68 PolarHBondContact N-O 3.24Å; T53-A68 PolarHBondContact O-N 2.86Å; A68-G82 CarbonylContact C-O 3.54Å; A68-G82 WeakPolarHBondContact CA-O 3.43Å; A68-G82 WeakPolarHBondContact CB-O 3.49Å
69F98.6Very high97.9Very high10 Ų1044.4 Ų44.44%0.04421%0.214CC..EExtended strand (participates in β ladder)trans-68.7134168.8-81.2-102.4000110.5F50 L52 I73 I78 G82 I84 I106 L110F50-F69 HydrophobicContact CB-CD1 4.14Å; F50-F69 HydrophobicContact CB-CE1 3.77Å; F50-F69 HydrophobicContact CD1-CD1 4.45Å; F50-F69 HydrophobicContact CD1-CE1 4.27Å; F50-F69 HydrophobicContact CG-CE1 4.19Å; L52-F69 HydrophobicContact CD1-CD1 4.38Å; L52-F69 HydrophobicContact CD1-CE1 4.14Å; L52-F69 HydrophobicContact CD1-CZ 4.37Å; L52-F69 HydrophobicContact CD2-CD1 4.48Å; L52-F69 HydrophobicContact CD2-CD2 3.84Å; L52-F69 HydrophobicContact CD2-CE1 4.34Å; L52-F69 HydrophobicContact CD2-CE2 3.66Å; L52-F69 HydrophobicContact CD2-CG 4.25Å; L52-F69 HydrophobicContact CD2-CZ 3.93Å; L52-F69 HydrophobicContact CG-CD1 4.12Å; L52-F69 HydrophobicContact CG-CD2 4.23Å; L52-F69 HydrophobicContact CG-CE1 4.22Å; L52-F69 HydrophobicContact CG-CE2 4.32Å; L52-F69 HydrophobicContact CG-CG 4.12Å; L52-F69 HydrophobicContact CG-CZ 4.32Å; F69-I73 HydrophobicContact CD1-CG2 4.06Å; F69-I73 HydrophobicContact CE1-CD1 4.08Å; F69-I73 HydrophobicContact CE1-CG2 4.44Å; F69-I73 HydrophobicContact CG-CG2 4.2Å; F69-I73 HydrophobicContact CZ-CD1 4.49Å; F69-I78 HydrophobicContact CB-CG2 4.37Å; F69-I78 HydrophobicContact CD2-CD1 3.83Å; F69-I78 HydrophobicContact CD2-CG1 4.33Å; F69-I78 HydrophobicContact CD2-CG2 3.9Å; F69-I78 HydrophobicContact CE1-CD1 4.45Å; F69-I78 HydrophobicContact CE2-CD1 3.36Å; F69-I78 HydrophobicContact CE2-CG1 4.17Å; F69-I78 HydrophobicContact CG-CG2 4.28Å; F69-I78 HydrophobicContact CZ-CD1 3.72Å; F69-G82 PolarHBondContact N-O 2.81Å; F69-G82 WeakPolarHBondContact O-CA 3.22Å; F69-I84 HydrophobicContact CD2-CD1 3.71Å; F69-I84 HydrophobicContact CD2-CG1 3.81Å; F69-I84 HydrophobicContact CE2-CD1 3.63Å; F69-I84 HydrophobicContact CE2-CG1 3.99Å; F69-I106 HydrophobicContact CE2-CG2 3.82Å; F69-I106 HydrophobicContact CZ-CG2 3.75Å; F69-L110 HydrophobicContact CZ-CD2 4.26Å
70T98.2Very high97.8Very high82 Ų8247.4 Ų47.450%0.50324%0.239SC..SBendtrans-99.1-33.1168.659.70000110.6F51 T53F51-T70 WeakPolarHBondContact CB-OG1 3.5Å; F51-T70 PolarHBondContact O-N 3.03Å; F51-T70 PolarHBondContact O-OG1 3.2Å; T53-T70 HydrophobicContact CG2-CG2 3.93Å
71T98.4Very high97.8Very high15 Ų1553.5 Ų53.59%0.09227%0.271CS..SBendtrans-72.7132.5166.6-590000110.3F50 F51 Y145 A146F50-T71 HydrophobicContact CD1-CG2 3.75Å; F50-T71 HydrophobicContact CE1-CG2 4.32Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.48Å; F51-T71 PolarHBondContact N-OG1 3.28Å; F51-T71 PolarHBondContact O-N 3.24Å; F51-T71 VanDerWaalsContact O-N 3.15Å; T71-Y145 VanDerWaalsContact CG2-O 3.31Å; T71-Y145 WeakPolarHBondContact CG2-O 3.49Å; T71-A146 HydrophobicContact CG2-CB 3.85Å
72R98.1Very high97.8Very high154 Ų15453 Ų5358%0.58127%0.269SS*.  trans-66.9136.7175.6-63.9-177.8-177.1-165.50.7110.3W141 Y145R72-W141 HydrophobicContact CB-CE3 4.35Å; R72-W141 HydrophobicContact CB-CZ3 4.11Å; R72-Y145 HydrophobicContact CB-CD1 4.33Å; R72-Y145 HydrophobicContact CB-CD2 3.97Å; R72-Y145 HydrophobicContact CB-CE2 4.48Å; R72-Y145 HydrophobicContact CB-CG 3.88Å
73I98.5Very high97.8Very high13 Ų1347.9 Ų47.97%0.06725%0.253CS..  trans-142.2142.8-178.4-170.8170.6000110.7Y45 F50 F69 H75 I78 L110Y45-I73 HydrophobicContact CD1-CD1 3.89Å; Y45-I73 HydrophobicContact CD1-CG1 4.03Å; Y45-I73 HydrophobicContact CE1-CD1 3.68Å; Y45-I73 HydrophobicContact CE1-CG1 3.55Å; F50-I73 HydrophobicContact CD1-CB 4.29Å; F50-I73 HydrophobicContact CD1-CD1 3.96Å; F50-I73 HydrophobicContact CD1-CG1 4.34Å; F50-I73 HydrophobicContact CE1-CB 4.08Å; F50-I73 HydrophobicContact CE1-CD1 3.72Å; F50-I73 HydrophobicContact CE1-CG1 3.83Å; F50-I73 HydrophobicContact CZ-CD1 4.21Å; F69-I73 HydrophobicContact CD1-CG2 4.06Å; F69-I73 HydrophobicContact CE1-CD1 4.08Å; F69-I73 HydrophobicContact CE1-CG2 4.44Å; F69-I73 HydrophobicContact CG-CG2 4.2Å; F69-I73 HydrophobicContact CZ-CD1 4.49Å; I73-H75 HydrophobicContact CG1-CB 4.33Å; I73-I78 HydrophobicContact CD1-CD1 4.19Å; I73-I78 HydrophobicContact CG2-CB 4Å; I73-I78 HydrophobicContact CG2-CD1 3.84Å; I73-I78 HydrophobicContact CG2-CG2 3.64Å; I73-L110 HydrophobicContact CD1-CD2 3.5Å; I73-L110 VanDerWaalsContact CD1-CD2 3.5Å
74Y98.3Very high97.9Very high23 Ų2342.6 Ų42.69%0.0923%0.23CC..  trans-96.499.1174.6-172.3-97.8000109.4Y45 I123 I126 Y134 I137 A138 W141Y45-Y74 PolarHBondContact OH-O 3.26Å; Y74-I123 HydrophobicContact CD1-CD1 4.45Å; Y74-I123 HydrophobicContact CD1-CG2 4.15Å; Y74-I123 HydrophobicContact CD2-CD1 3.59Å; Y74-I123 HydrophobicContact CD2-CG1 4.19Å; Y74-I123 HydrophobicContact CE1-CD1 4.4Å; Y74-I123 HydrophobicContact CE1-CG1 4.23Å; Y74-I123 HydrophobicContact CE1-CG2 3.72Å; Y74-I123 HydrophobicContact CE2-CD1 3.51Å; Y74-I123 HydrophobicContact CE2-CG1 3.57Å; Y74-I123 HydrophobicContact CG-CD1 4.08Å; Y74-I126 WeakPolarHBondContact OH-CD1 3.43Å; Y74-Y134 HydrophobicContact CD1-CD2 4.16Å; Y74-Y134 HydrophobicContact CD1-CE2 4.12Å; Y74-Y134 AromaticContact CE1-CD2 3.8Å; Y74-Y134 HydrophobicContact CE1-CD2 3.8Å; Y74-Y134 HydrophobicContact CE1-CE2 4.19Å; Y74-I137 HydrophobicContact CD1-CB 4.26Å; Y74-I137 HydrophobicContact CD1-CG2 3.81Å; Y74-I137 HydrophobicContact CD2-CG2 3.84Å; Y74-I137 HydrophobicContact CE1-CB 3.99Å; Y74-I137 HydrophobicContact CE1-CG2 3.7Å; Y74-I137 HydrophobicContact CE2-CG2 3.75Å; Y74-I137 HydrophobicContact CG-CG2 3.87Å; Y74-A138 HydrophobicContact CD1-CB 4.14Å; Y74-W141 HydrophobicContact CD2-CD2 4.37Å; Y74-W141 HydrophobicContact CD2-CZ2 4.32Å; Y74-W141 HydrophobicContact CG-CG 4.47Å
75H98.5Very high97.8Very high0 Ų041.4 Ų41.40%022%0.223CC..BIsolated β-bridgetrans-151.7140.2-174.1-172.5-82000110.6Y45 I73 N77 I78 L109 P113Y45-H75 AromaticContact CZ-CD2 3.86Å; Y45-H75 WeakPolarHBondContact OH-CB 3.17Å; Y45-H75 PolarHBondContact OH-CD2 3.06Å; I73-H75 HydrophobicContact CG1-CB 4.33Å; H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.04Å; H75-N77 VanDerWaalsContact CE1-OD1 3.24Å; H75-N77 PolarHBondContact ND1-N 2.88Å; H75-N77 PolarHBondContact O-N 3.24Å; H75-I78 HydrophobicContact CB-CB 4.12Å; H75-I78 HydrophobicContact CB-CD1 3.92Å; H75-I78 HydrophobicContact CB-CG1 4.18Å; H75-I78 PolarHBondContact O-N 3.3Å; H75-L109 PolarHBondContact NE2-O 3.4Å; H75-P113 WeakPolarHBondContact NE2-CG 3.4Å
76P98Very high97.7Very high0 Ų042.1 Ų42.10%023%0.226CC..THydrogen-bonded Turntrans-66.9-30-17526.6-35.3000113.9P113 P118 L119 V120 I123 A124P76-P113 HydrophobicContact CG-CB 3.44Å; P76-P113 VanDerWaalsContact CG-CB 3.44Å; P76-P113 HydrophobicContact CG-CG 4.38Å; P76-P118 HydrophobicContact CB-CB 4.32Å; P76-P118 CarbonylContact O-C 3.58Å; P76-P118 WeakPolarHBondContact O-CA 3.49Å; P76-L119 PolarHBondContact O-N 3.34Å; P76-V120 PolarHBondContact O-N 3.48Å; P76-I123 HydrophobicContact CB-CB 4.33Å; P76-I123 HydrophobicContact CB-CG2 4.03Å; P76-I123 HydrophobicContact CG-CG2 4.47Å; P76-A124 HydrophobicContact CB-CB 3.82Å
77N98.4Very high97.5Very high1 Ų138.1 Ų38.11%0.00521%0.212CC..THydrogen-bonded Turntrans-95.27.2178.6-50.696.4000114.3H75 C85 L109 N114 D117 L119H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.04Å; H75-N77 VanDerWaalsContact CE1-OD1 3.24Å; H75-N77 PolarHBondContact ND1-N 2.88Å; H75-N77 PolarHBondContact O-N 3.24Å; N77-C85 HydrophobicContact CB-CB 4.39Å; N77-C85 PolarHBondContact O-N 2.89Å; N77-L109 HydrophobicContact CB-CD1 4.14Å; N77-L109 HydrophobicContact CB-CD2 4.02Å; N77-L109 HydrophobicContact CB-CG 4.38Å; N77-N114 PolarHBondContact ND2-O 3.22Å; N77-N114 PolarHBondContact OD1-N 2.85Å; N77-N114 PolarHBondContact OD1-O 3.18Å; N77-D117 PolarHBondContact ND2-O 3.01Å; N77-L119 WeakPolarHBondContact O-CD1 3.2Å
78I98.4Very high97.4Very high2 Ų238.4 Ų38.41%0.0121%0.213CC..BIsolated β-bridgetrans-129.1121.6178.4-52.9163.6000108.7F69 I73 H75 S83 I84 L110 V120F69-I78 HydrophobicContact CB-CG2 4.37Å; F69-I78 HydrophobicContact CD2-CD1 3.83Å; F69-I78 HydrophobicContact CD2-CG1 4.33Å; F69-I78 HydrophobicContact CD2-CG2 3.9Å; F69-I78 HydrophobicContact CE1-CD1 4.45Å; F69-I78 HydrophobicContact CE2-CD1 3.36Å; F69-I78 HydrophobicContact CE2-CG1 4.17Å; F69-I78 HydrophobicContact CG-CG2 4.28Å; F69-I78 HydrophobicContact CZ-CD1 3.72Å; I73-I78 HydrophobicContact CD1-CD1 4.19Å; I73-I78 HydrophobicContact CG2-CB 4Å; I73-I78 HydrophobicContact CG2-CD1 3.84Å; I73-I78 HydrophobicContact CG2-CG2 3.64Å; H75-I78 HydrophobicContact CB-CB 4.12Å; H75-I78 HydrophobicContact CB-CD1 3.92Å; H75-I78 HydrophobicContact CB-CG1 4.18Å; H75-I78 PolarHBondContact O-N 3.3Å; I78-S83 VanDerWaalsContact CA-O 3.29Å; I78-S83 WeakPolarHBondContact CA-O 3.48Å; I78-I84 HydrophobicContact CG1-CG1 4.44Å; I78-I84 HydrophobicContact CG1-CG2 4.45Å; I78-L110 HydrophobicContact CD1-CD2 3.91Å; I78-V120 WeakPolarHBondContact O-CG2 3.47Å
79N96.8Very high97.2Very high41 Ų4138.2 Ų38.222%0.21921%0.209CC..  trans-87176-179.372.313.6000112.7N81 G82 S83 L119 V120N79-N81 PolarHBondContact O-N 3.48Å; N79-N81 VanDerWaalsContact O-N 3.15Å; N79-N81 WeakPolarHBondContact OD1-CA 3.29Å; N79-N81 PolarHBondContact OD1-N 3.1Å; N79-N81 VanDerWaalsContact OD1-N 3.08Å; N79-G82 WeakPolarHBondContact O-CA 3.45Å; N79-G82 PolarHBondContact O-N 3.49Å; N79-G82 PolarHBondContact OD1-N 3.49Å; N79-S83 PolarHBondContact N-O 3.38Å; N79-S83 VanDerWaalsContact N-O 3.12Å; N79-S83 WeakPolarHBondContact OD1-CB 3.35Å; N79-S83 PolarHBondContact OD1-N 2.85Å; N79-L119 HydrophobicContact CB-CB 4.19Å; N79-L119 HydrophobicContact CB-CD1 4.36Å; N79-V120 HydrophobicContact CB-CG2 4.16Å
80S95.4Very high97Very high115 Ų11544.6 Ų44.680%0.80423%0.233SC*.THydrogen-bonded Turntrans-62.4-20.4-179.753.80000114.7G82S80-G82 VanDerWaalsContact C-N 3.27Å
81N96.3Very high96.8Very high129 Ų12945.5 Ų45.569%0.6924%0.242SC*.THydrogen-bonded Turntrans-88.84.6174.6-62.2-21000112.2N79 S83N79-N81 PolarHBondContact O-N 3.48Å; N79-N81 VanDerWaalsContact O-N 3.15Å; N79-N81 WeakPolarHBondContact OD1-CA 3.29Å; N79-N81 PolarHBondContact OD1-N 3.1Å; N79-N81 VanDerWaalsContact OD1-N 3.08Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 3.49Å
82G97.3Very high96.8Very high6 Ų650.5 Ų50.56%0.06226%0.264CS..  trans75.56.8-178.900000115A68 F69 N79 S80A68-G82 CarbonylContact C-O 3.54Å; A68-G82 WeakPolarHBondContact CA-O 3.43Å; A68-G82 WeakPolarHBondContact CB-O 3.49Å; F69-G82 PolarHBondContact N-O 2.81Å; F69-G82 WeakPolarHBondContact O-CA 3.22Å; N79-G82 WeakPolarHBondContact O-CA 3.45Å; N79-G82 PolarHBondContact O-N 3.49Å; N79-G82 PolarHBondContact OD1-N 3.49Å; S80-G82 VanDerWaalsContact C-N 3.27Å
83S97.7Very high96.8Very high47 Ų4744.5 Ų44.533%0.32924%0.242SC..BIsolated β-bridgetrans-66.1141.6175.7-54.80000110I78 N79 N81 L119I78-S83 VanDerWaalsContact CA-O 3.29Å; I78-S83 WeakPolarHBondContact CA-O 3.48Å; N79-S83 PolarHBondContact N-O 3.38Å; N79-S83 VanDerWaalsContact N-O 3.12Å; N79-S83 WeakPolarHBondContact OD1-CB 3.35Å; N79-S83 PolarHBondContact OD1-N 2.85Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 3.49Å; S83-L119 WeakPolarHBondContact O-CD1 3.25Å
84I97.8Very high96.7Very high8 Ų846.4 Ų46.44%0.04126%0.256CS..BIsolated β-bridgetrans-111.1132.3-176-49.4171.8000108.8L52 V67 F69 I78 L86 L89 I106 L109L52-I84 HydrophobicContact CD2-CD1 4.12Å; V67-I84 HydrophobicContact CG1-CD1 4.03Å; F69-I84 HydrophobicContact CD2-CD1 3.71Å; F69-I84 HydrophobicContact CD2-CG1 3.81Å; F69-I84 HydrophobicContact CE2-CD1 3.63Å; F69-I84 HydrophobicContact CE2-CG1 3.99Å; I78-I84 HydrophobicContact CG1-CG1 4.44Å; I78-I84 HydrophobicContact CG1-CG2 4.45Å; I84-L86 HydrophobicContact CG2-CB 3.87Å; I84-L89 HydrophobicContact CB-CD1 4.22Å; I84-L89 HydrophobicContact CD1-CD1 4.35Å; I84-L89 HydrophobicContact CG2-CD1 4.47Å; I84-I106 HydrophobicContact CD1-CD1 3.78Å; I84-I106 HydrophobicContact CD1-CG1 4.2Å; I84-L109 HydrophobicContact CG2-CD2 3.75Å
85C95.9Very high96.6Very high14 Ų1447.8 Ų47.810%0.09527%0.268CS..  trans-91.299.2162.5-166.40000108.6N77 D117 L119N77-C85 HydrophobicContact CB-CB 4.39Å; N77-C85 PolarHBondContact O-N 2.89Å; C85-D117 PolarHBondContact SG-OD2 3.47Å; C85-L119 HydrophobicContact CB-CD1 4.06Å; C85-L119 HydrophobicContact CB-CD2 3.84Å; C85-L119 HydrophobicContact CB-CG 3.6Å
86L95.3Very high96.6Very high18 Ų1851.1 Ų51.19%0.09430%0.296CS..  trans-143.3124.9175.5-175.964.7000106.9I84 I88 L89 I106 L109I84-L86 HydrophobicContact CG2-CB 3.87Å; L86-I88 VanDerWaalsContact C-N 3.33Å; L86-I88 HydrophobicContact CD1-CG1 4.45Å; L86-I88 HydrophobicContact CD2-CD1 4Å; L86-I88 HydrophobicContact CD2-CG1 3.64Å; L86-I88 HydrophobicContact CG-CG1 3.67Å; L86-I88 PolarHBondContact O-N 3.09Å; L86-L89 HydrophobicContact CB-CD1 4.18Å; L86-L89 HydrophobicContact CB-CG 4.36Å; L86-L89 HydrophobicContact CD2-CD1 4.31Å; L86-L89 HydrophobicContact CD2-CG 4.31Å; L86-L89 WeakPolarHBondContact O-CB 3.35Å; L86-L89 PolarHBondContact O-N 3.38Å; L86-I106 HydrophobicContact CD2-CG1 3.82Å; L86-L109 HydrophobicContact CD1-CD2 4.48Å
87D94.7Very high96.5Very high83 Ų8352.6 Ų52.644%0.44430%0.303SS..G310 helixtrans-60.8-38-172.661.1-16.8000113.2L89 R90 S91 Q92D87-L89 PolarHBondContact O-N 2.83Å; D87-R90 CarbonylContact O-C 3.29Å; D87-R90 VanDerWaalsContact O-C 3.29Å; D87-R90 WeakPolarHBondContact O-CA 3.45Å; D87-R90 PolarHBondContact O-N 2.85Å; D87-S91 PolarHBondContact O-N 3.34Å; D87-S91 VanDerWaalsContact O-N 3.17Å; D87-Q92 HydrophobicContact CB-CB 4.23Å; D87-Q92 HydrophobicContact CB-CG 3.89Å; D87-Q92 PolarHBondContact O-N 2.93Å
88I95.9Very high96.4Very high22 Ų2254.3 Ų54.311%0.11331%0.314CS..G310 helixtrans-65.4-19.7176.863.9153.5000112.7L86 Q92 W93 L97 V102 S105L86-I88 VanDerWaalsContact C-N 3.33Å; L86-I88 HydrophobicContact CD1-CG1 4.45Å; L86-I88 HydrophobicContact CD2-CD1 4Å; L86-I88 HydrophobicContact CD2-CG1 3.64Å; L86-I88 HydrophobicContact CG-CG1 3.67Å; L86-I88 PolarHBondContact O-N 3.09Å; I88-Q92 HydrophobicContact CG2-CB 4.32Å; I88-W93 VanDerWaalsContact O-CA 3.31Å; I88-W93 WeakPolarHBondContact O-CA 3.39Å; I88-W93 VanDerWaalsContact O-CB 3.31Å; I88-W93 WeakPolarHBondContact O-CB 3.34Å; I88-W93 VanDerWaalsContact O-CE3 3.27Å; I88-L97 HydrophobicContact CB-CD1 3.89Å; I88-L97 HydrophobicContact CG2-CD1 4.18Å; I88-V102 HydrophobicContact CD1-CB 4.44Å; I88-V102 HydrophobicContact CD1-CG2 4.05Å; I88-S105 WeakPolarHBondContact CD1-OG 3.35Å
89L95.9Very high96.4Very high20 Ų2054.2 Ų54.211%0.10531%0.314CS..G310 helixtrans-85.71.7172-65177.1000112.4V67 I84 L86 D87 V102V67-L89 HydrophobicContact CB-CD1 4.09Å; V67-L89 HydrophobicContact CB-CD2 4.3Å; V67-L89 HydrophobicContact CG2-CD2 3.84Å; I84-L89 HydrophobicContact CB-CD1 4.22Å; I84-L89 HydrophobicContact CD1-CD1 4.35Å; I84-L89 HydrophobicContact CG2-CD1 4.47Å; L86-L89 HydrophobicContact CB-CD1 4.18Å; L86-L89 HydrophobicContact CB-CG 4.36Å; L86-L89 HydrophobicContact CD2-CD1 4.31Å; L86-L89 HydrophobicContact CD2-CG 4.31Å; L86-L89 WeakPolarHBondContact O-CB 3.35Å; L86-L89 PolarHBondContact O-N 3.38Å; D87-L89 PolarHBondContact O-N 2.83Å; L89-V102 HydrophobicContact CD2-CG1 3.76Å; L89-V102 HydrophobicContact CD2-CG2 4.26Å
90R93.7Very high96.4Very high144 Ų14453.6 Ų53.654%0.54331%0.313SS..THydrogen-bonded Turntrans-138.1-108-173.1-60.1-175.8-178-145.62.6111.1D87 W93D87-R90 CarbonylContact O-C 3.29Å; D87-R90 VanDerWaalsContact O-C 3.29Å; D87-R90 WeakPolarHBondContact O-CA 3.45Å; D87-R90 PolarHBondContact O-N 2.85Å; R90-W93 PolarHBondContact O-N 3.23Å
91S94.3Very high96.4Very high101 Ų10153.1 Ų53.171%0.70630%0.296SS*.THydrogen-bonded Turntrans-71.7-28.3-171.648.30000113.3D87D87-S91 PolarHBondContact O-N 3.34Å; D87-S91 VanDerWaalsContact O-N 3.17Å
92Q96.9Very high96.5Very high119 Ų11947 Ų4756%0.55626%0.263SS*.THydrogen-bonded Turntrans-98.111.7179.9-59.4-67900112.8D87 I88 S94D87-Q92 HydrophobicContact CB-CB 4.23Å; D87-Q92 HydrophobicContact CB-CG 3.89Å; D87-Q92 PolarHBondContact O-N 2.93Å; I88-Q92 HydrophobicContact CG2-CB 4.32Å; Q92-S94 PolarHBondContact O-N 2.89Å
93W98Very high96.5Very high28 Ų2846.7 Ų46.711%0.10626%0.26CS..  trans-63.4132.5172.4178.7-100000110.3Y60 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 3.5Å; Y60-W93 HydrophobicContact CE2-CZ2 3.5Å; Y60-W93 VanDerWaalsContact CE2-CZ2 3.5Å; P61-W93 HydrophobicContact CB-CZ2 4.46Å; P61-W93 PolarHBondContact O-NE1 3.15Å; P64-W93 HydrophobicContact CB-CB 3.95Å; P64-W93 HydrophobicContact CB-CD2 3.54Å; P64-W93 HydrophobicContact CB-CE3 3.86Å; P64-W93 HydrophobicContact CB-CG 3.55Å; P64-W93 HydrophobicContact CG-CB 4.19Å; P64-W93 HydrophobicContact CG-CG 4.08Å; P65-W93 VanDerWaalsContact CD-CH2 3.48Å; P65-W93 HydrophobicContact CG-CH2 4.23Å; P65-W93 HydrophobicContact CG-CZ3 4.27Å; I88-W93 VanDerWaalsContact O-CA 3.31Å; I88-W93 WeakPolarHBondContact O-CA 3.39Å; I88-W93 VanDerWaalsContact O-CB 3.31Å; I88-W93 WeakPolarHBondContact O-CB 3.34Å; I88-W93 VanDerWaalsContact O-CE3 3.27Å; R90-W93 PolarHBondContact O-N 3.23Å; W93-L97 HydrophobicContact CE3-CB 4.2Å; W93-L97 HydrophobicContact CE3-CD1 3.94Å; W93-L97 HydrophobicContact CH2-CB 4.13Å; W93-L97 HydrophobicContact CZ3-CB 3.85Å; W93-L97 HydrophobicContact CZ3-CD1 4.34Å; W93-V102 HydrophobicContact CZ3-CG2 3.8Å
94S97.5Very high96.4Very high53 Ų5348.2 Ų48.237%0.37126%0.264SS..  trans-130.6143172170.40000109.4Q92 A96 L97Q92-S94 PolarHBondContact O-N 2.89Å; S94-A96 PolarHBondContact O-N 3.12Å; S94-A96 PolarHBondContact OG-N 3.14Å; S94-L97 WeakPolarHBondContact O-CB 3.32Å; S94-L97 PolarHBondContact O-N 2.94Å
95P97Very high96.3Very high53 Ų5349.8 Ų49.834%0.34428%0.276SS..THydrogen-bonded Turntrans-54.5-17172.4-27.736000114.9R5 P61 F62R5-P95 PolarHBondContact NH1-O 3.5Å; R5-P95 PolarHBondContact NH2-O 3.32Å; P61-P95 HydrophobicContact CB-CB 4.31Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.32Å; F62-P95 HydrophobicContact CD1-CG 4.19Å
96A96.8Very high96.4Very high70 Ų7049.1 Ų49.158%0.57927%0.272SS*.THydrogen-bonded Turntrans-80.2-12.9175.200000114.1S94S94-A96 PolarHBondContact O-N 3.12Å; S94-A96 PolarHBondContact OG-N 3.14Å
97L97.5Very high96.4Very high30 Ų3049 Ų4916%0.15727%0.272CS..  trans-75.8151.5172.6-64.2175.2000110.5R5 I88 W93 S94 K101R5-L97 PolarHBondContact NH2-O 2.87Å; I88-L97 HydrophobicContact CB-CD1 3.89Å; I88-L97 HydrophobicContact CG2-CD1 4.18Å; W93-L97 HydrophobicContact CE3-CB 4.2Å; W93-L97 HydrophobicContact CE3-CD1 3.94Å; W93-L97 HydrophobicContact CH2-CB 4.13Å; W93-L97 HydrophobicContact CZ3-CB 3.85Å; W93-L97 HydrophobicContact CZ3-CD1 4.34Å; S94-L97 WeakPolarHBondContact O-CB 3.32Å; S94-L97 PolarHBondContact O-N 2.94Å; L97-K101 HydrophobicContact CD2-CB 4.46Å; L97-K101 HydrophobicContact CD2-CD 3.95Å
98T96.5Very high96.5Very high37 Ų3748.2 Ų48.223%0.22727%0.273CS..  trans-125.6163.7-179.660.80000109.8E9 S100 K101 V102E9-T98 HydrophobicContact CG-CG2 4.5Å; E9-T98 WeakPolarHBondContact OE2-CA 3.44Å; E9-T98 VanDerWaalsContact OE2-CB 3.22Å; E9-T98 WeakPolarHBondContact OE2-CB 3.35Å; T98-S100 PolarHBondContact O-N 3.35Å; T98-K101 PolarHBondContact O-N 3.37Å; T98-K101 VanDerWaalsContact O-N 3.14Å; T98-K101 PolarHBondContact OG1-N 3.43Å; T98-V102 WeakPolarHBondContact O-CG2 3.47Å; T98-V102 PolarHBondContact O-N 3.08Å
99I97.3Very high96.5Very high0 Ų047.8 Ų47.80%027%0.271CS..Hα-helixtrans-57.7-38.8173.2-63-54.2000111.2E9 L13 A23 W33 I54 F56 P65 K101 V102 L103E9-I99 PolarHBondContact OE2-N 2.99Å; L13-I99 HydrophobicContact CD1-CB 4.42Å; L13-I99 HydrophobicContact CD1-CG2 4.21Å; A23-I99 HydrophobicContact CB-CG2 4.32Å; W33-I99 HydrophobicContact CE3-CG2 4.35Å; W33-I99 HydrophobicContact CZ3-CB 4.29Å; W33-I99 HydrophobicContact CZ3-CG1 4.11Å; W33-I99 HydrophobicContact CZ3-CG2 4.19Å; I54-I99 HydrophobicContact CD1-CG2 3.79Å; I54-I99 HydrophobicContact CG2-CD1 3.95Å; F56-I99 HydrophobicContact CE1-CD1 3.62Å; F56-I99 HydrophobicContact CE1-CG1 3.69Å; F56-I99 HydrophobicContact CZ-CD1 3.87Å; F56-I99 HydrophobicContact CZ-CG1 3.74Å; P65-I99 HydrophobicContact CB-CD1 4.32Å; P65-I99 HydrophobicContact CG-CD1 3.81Å; I99-K101 PolarHBondContact O-N 3.31Å; I99-V102 WeakPolarHBondContact O-CB 3.02Å; I99-V102 PolarHBondContact O-N 2.99Å; I99-V102 VanDerWaalsContact O-N 3.17Å; I99-L103 HydrophobicContact CG2-CD1 3.95Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 VanDerWaalsContact O-CG 3.32Å; I99-L103 WeakPolarHBondContact O-CG 3.39Å; I99-L103 PolarHBondContact O-N 3.29Å
100S96.3Very high96.6Very high29 Ų2946.9 Ų46.920%0.20327%0.266CS..Hα-helixtrans-56.7-48.4174.3178.10000111.9T98 V102 L103 L104T98-S100 PolarHBondContact O-N 3.35Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 2.87Å; S100-L103 PolarHBondContact O-N 2.93Å; S100-L104 WeakPolarHBondContact O-CG 3.45Å; S100-L104 PolarHBondContact O-N 3.38Å
101K96.1Very high96.6Very high105 Ų10542.9 Ų42.946%0.45726%0.259SS..Hα-helixtrans-62.9-39.9175.8-70.6179.7179.5178.10112.3L97 T98 I99 L104 S105L97-K101 HydrophobicContact CD2-CB 4.46Å; L97-K101 HydrophobicContact CD2-CD 3.95Å; T98-K101 PolarHBondContact O-N 3.37Å; T98-K101 VanDerWaalsContact O-N 3.14Å; T98-K101 PolarHBondContact OG1-N 3.43Å; I99-K101 PolarHBondContact O-N 3.31Å; K101-L104 PolarHBondContact O-N 3.47Å; K101-S105 WeakPolarHBondContact O-CB 3.47Å; K101-S105 PolarHBondContact O-N 3.48Å; K101-S105 PolarHBondContact O-OG 3.01Å; K101-S105 VanDerWaalsContact O-OG 3.12Å
102V97.5Very high96.7Very high0 Ų043.4 Ų43.40%025%0.254CS..Hα-helixtrans-59.7-47.9176.1169.20000111.2V67 I88 L89 W93 T98 I99 S100 S105 I106V67-V102 HydrophobicContact CG2-CG1 4.19Å; I88-V102 HydrophobicContact CD1-CB 4.44Å; I88-V102 HydrophobicContact CD1-CG2 4.05Å; L89-V102 HydrophobicContact CD2-CG1 3.76Å; L89-V102 HydrophobicContact CD2-CG2 4.26Å; W93-V102 HydrophobicContact CZ3-CG2 3.8Å; T98-V102 WeakPolarHBondContact O-CG2 3.47Å; T98-V102 PolarHBondContact O-N 3.08Å; I99-V102 WeakPolarHBondContact O-CB 3.02Å; I99-V102 PolarHBondContact O-N 2.99Å; I99-V102 VanDerWaalsContact O-N 3.17Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 2.87Å; V102-S105 PolarHBondContact O-N 3.39Å; V102-I106 HydrophobicContact CG1-CD1 3.88Å; V102-I106 WeakPolarHBondContact O-CG1 3.1Å; V102-I106 PolarHBondContact O-N 2.93Å
103L97.5Very high96.6Very high0 Ų038.3 Ų38.30%023%0.231CC..Hα-helixtrans-64.6-41.2179.9-65.9173.6000111.8C21 A23 A35 I37 I99 S100 I106 C107C21-L103 HydrophobicContact CB-CB 4.17Å; C21-L103 HydrophobicContact CB-CD1 4.26Å; A23-L103 HydrophobicContact CB-CD1 3.99Å; A35-L103 HydrophobicContact CB-CD1 4.28Å; A35-L103 HydrophobicContact CB-CD2 3.68Å; I37-L103 HydrophobicContact CD1-CD2 4.18Å; I37-L103 HydrophobicContact CG1-CD2 4.35Å; I99-L103 HydrophobicContact CG2-CD1 3.95Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 VanDerWaalsContact O-CG 3.32Å; I99-L103 WeakPolarHBondContact O-CG 3.39Å; I99-L103 PolarHBondContact O-N 3.29Å; S100-L103 PolarHBondContact O-N 2.93Å; L103-I106 PolarHBondContact O-N 3.43Å; L103-C107 PolarHBondContact O-N 2.93Å; L103-C107 PolarHBondContact O-SG 2.85Å
104L95.9Very high96.5Very high79 Ų7940.2 Ų40.241%0.41424%0.244SC..Hα-helixtrans-62.2-42.3174.4-70.1172.5000112.1P18 S100 K101 I106 C107 S108P18-L104 HydrophobicContact CB-CD1 4.31Å; P18-L104 HydrophobicContact CB-CD2 3.79Å; P18-L104 HydrophobicContact CB-CG 3.87Å; S100-L104 WeakPolarHBondContact O-CG 3.45Å; S100-L104 PolarHBondContact O-N 3.38Å; K101-L104 PolarHBondContact O-N 3.47Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.46Å; L104-C107 WeakPolarHBondContact O-CB 3.37Å; L104-C107 PolarHBondContact O-N 3.26Å; L104-S108 PolarHBondContact O-N 2.68Å
105S96.4Very high96.3Very high41 Ų4138.7 Ų38.729%0.28723%0.232SC..Hα-helixtrans-65.2-35.9175.4-65.60000112.6I88 K101 V102 S108 L109I88-S105 WeakPolarHBondContact CD1-OG 3.35Å; K101-S105 WeakPolarHBondContact O-CB 3.47Å; K101-S105 PolarHBondContact O-N 3.48Å; K101-S105 PolarHBondContact O-OG 3.01Å; K101-S105 VanDerWaalsContact O-OG 3.12Å; V102-S105 PolarHBondContact O-N 3.39Å; S105-S108 PolarHBondContact O-N 2.98Å; S105-L109 WeakPolarHBondContact O-CB 3.5Å; S105-L109 PolarHBondContact O-N 2.91Å
106I97.3Very high96.2Very high0 Ų042.3 Ų42.30%025%0.249CC..Hα-helixtrans-67.2-41173.3-65.6165000110.6I37 L52 V67 F69 I84 L86 V102 L103 L104 S108 L109 L110I37-I106 HydrophobicContact CD1-CB 3.92Å; I37-I106 HydrophobicContact CD1-CG2 3.51Å; L52-I106 HydrophobicContact CD2-CD1 3.98Å; L52-I106 HydrophobicContact CD2-CG2 4.38Å; V67-I106 HydrophobicContact CG1-CD1 3.89Å; F69-I106 HydrophobicContact CE2-CG2 3.82Å; F69-I106 HydrophobicContact CZ-CG2 3.75Å; I84-I106 HydrophobicContact CD1-CD1 3.78Å; I84-I106 HydrophobicContact CD1-CG1 4.2Å; L86-I106 HydrophobicContact CD2-CG1 3.82Å; V102-I106 HydrophobicContact CG1-CD1 3.88Å; V102-I106 WeakPolarHBondContact O-CG1 3.1Å; V102-I106 PolarHBondContact O-N 2.93Å; L103-I106 PolarHBondContact O-N 3.43Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.46Å; I106-S108 VanDerWaalsContact C-N 3.34Å; I106-S108 PolarHBondContact O-N 2.87Å; I106-L109 WeakPolarHBondContact O-CB 3.35Å; I106-L109 PolarHBondContact O-N 3.25Å; I106-L109 VanDerWaalsContact O-N 3.15Å; I106-L110 WeakPolarHBondContact O-CG 3.18Å; I106-L110 PolarHBondContact O-N 2.74Å
107C96.2Very high95.9Very high14 Ų1443.4 Ų43.410%0.09525%0.245CC..Hα-helixtrans-60.5-44.4174.5-680000112C21 I37 L103 L104 L109 L110 C111C21-C107 PolarHBondContact SG-SG 2.96Å; I37-C107 WeakPolarHBondContact CG2-SG 3.46Å; L103-C107 PolarHBondContact O-N 2.93Å; L103-C107 PolarHBondContact O-SG 2.85Å; L104-C107 WeakPolarHBondContact O-CB 3.37Å; L104-C107 PolarHBondContact O-N 3.26Å; C107-L109 VanDerWaalsContact C-N 3.27Å; C107-L109 PolarHBondContact O-N 2.88Å; C107-L110 WeakPolarHBondContact O-CB 3.49Å; C107-L110 PolarHBondContact O-N 2.96Å; C107-L110 VanDerWaalsContact O-N 3.14Å; C107-C111 PolarHBondContact O-N 3.15Å
108S95.6Very high95.8Very high67 Ų6743.6 Ų43.647%0.46925%0.248SC..Hα-helixtrans-59.5-40.7174.2-173.70000111.4L104 S105 I106 L110 C111 D112L104-S108 PolarHBondContact O-N 2.68Å; S105-S108 PolarHBondContact O-N 2.98Å; I106-S108 VanDerWaalsContact C-N 3.34Å; I106-S108 PolarHBondContact O-N 2.87Å; S108-L110 VanDerWaalsContact C-N 3.29Å; S108-L110 PolarHBondContact O-N 2.87Å; S108-C111 PolarHBondContact O-N 3.49Å; S108-D112 PolarHBondContact O-N 3.23Å
109L96.5Very high95.8Very high14 Ų1444.4 Ų44.47%0.07325%0.251CS..Hα-helixtrans-62-35.9176.4-17567.1000112.2H75 N77 I84 L86 S105 I106 C107 C111 D112 P113H75-L109 PolarHBondContact NE2-O 3.4Å; N77-L109 HydrophobicContact CB-CD1 4.14Å; N77-L109 HydrophobicContact CB-CD2 4.02Å; N77-L109 HydrophobicContact CB-CG 4.38Å; I84-L109 HydrophobicContact CG2-CD2 3.75Å; L86-L109 HydrophobicContact CD1-CD2 4.48Å; S105-L109 WeakPolarHBondContact O-CB 3.5Å; S105-L109 PolarHBondContact O-N 2.91Å; I106-L109 WeakPolarHBondContact O-CB 3.35Å; I106-L109 PolarHBondContact O-N 3.25Å; I106-L109 VanDerWaalsContact O-N 3.15Å; C107-L109 VanDerWaalsContact C-N 3.27Å; C107-L109 PolarHBondContact O-N 2.88Å; L109-C111 VanDerWaalsContact C-N 3.34Å; L109-D112 CarbonylContact O-C 3.21Å; L109-D112 VanDerWaalsContact O-C 3.27Å; L109-P113 WeakPolarHBondContact O-CA 3.46Å
110L96.9Very high95.8Very high1 Ų146.1 Ų46.11%0.00526%0.261CS..Hα-helixtrans-66.7-33.7175.7-64-174.6000112.8I37 P40 Y45 F69 I73 I78 I106 C107 S108I37-L110 HydrophobicContact CG2-CD1 4.01Å; P40-L110 HydrophobicContact CG-CB 4.24Å; Y45-L110 HydrophobicContact CD2-CB 3.96Å; Y45-L110 HydrophobicContact CD2-CD2 4.49Å; Y45-L110 HydrophobicContact CE2-CB 4.2Å; Y45-L110 HydrophobicContact CE2-CD2 4.31Å; Y45-L110 VanDerWaalsContact CE2-O 3.26Å; Y45-L110 WeakPolarHBondContact CE2-O 3.45Å; F69-L110 HydrophobicContact CZ-CD2 4.26Å; I73-L110 HydrophobicContact CD1-CD2 3.5Å; I73-L110 VanDerWaalsContact CD1-CD2 3.5Å; I78-L110 HydrophobicContact CD1-CD2 3.91Å; I106-L110 WeakPolarHBondContact O-CG 3.18Å; I106-L110 PolarHBondContact O-N 2.74Å; C107-L110 WeakPolarHBondContact O-CB 3.49Å; C107-L110 PolarHBondContact O-N 2.96Å; C107-L110 VanDerWaalsContact O-N 3.14Å; S108-L110 VanDerWaalsContact C-N 3.29Å; S108-L110 PolarHBondContact O-N 2.87Å
111C95.1Very high95.9Very high59 Ų5949 Ų4940%0.39928%0.279SS..Hα-helixtrans-76.5-43.3174.8-64.70000111.9P40 C107 S108 L109 P113P40-C111 WeakPolarHBondContact CB-SG 3.48Å; P40-C111 VanDerWaalsContact CG-SG 3.58Å; C107-C111 PolarHBondContact O-N 3.15Å; S108-C111 PolarHBondContact O-N 3.49Å; L109-C111 VanDerWaalsContact C-N 3.34Å; C111-P113 VanDerWaalsContact C-CD 3.45Å; C111-P113 VanDerWaalsContact O-CD 3.29Å; C111-P113 WeakPolarHBondContact O-CD 3.47Å
112D95.2Very high95.9Very high113 Ų11350.2 Ų50.260%0.60429%0.287SS*.SBendtrans-12377.4-173.7-61.1-63.5000110.8S108 L109S108-D112 PolarHBondContact O-N 3.23Å; L109-D112 CarbonylContact O-C 3.21Å; L109-D112 VanDerWaalsContact O-C 3.27Å
113P96.4Very high96Very high11 Ų1150.9 Ų50.97%0.07129%0.29CS..  trans-57.4145.2175.4-20.826.9000111.8H75 P76 L109 C111 P115 Y127H75-P113 WeakPolarHBondContact NE2-CG 3.4Å; P76-P113 HydrophobicContact CG-CB 3.44Å; P76-P113 VanDerWaalsContact CG-CB 3.44Å; P76-P113 HydrophobicContact CG-CG 4.38Å; L109-P113 WeakPolarHBondContact O-CA 3.46Å; C111-P113 VanDerWaalsContact C-CD 3.45Å; C111-P113 VanDerWaalsContact O-CD 3.29Å; C111-P113 WeakPolarHBondContact O-CD 3.47Å; P113-P115 WeakPolarHBondContact O-CD 3.42Å; P113-Y127 HydrophobicContact CB-CE1 4.33Å; P113-Y127 HydrophobicContact CB-CE2 4.17Å; P113-Y127 HydrophobicContact CG-CD2 4.3Å; P113-Y127 HydrophobicContact CG-CE2 3.68Å
114N95Very high96Very high68 Ų6851.1 Ų51.136%0.36429%0.292SS..  trans-98.891.8174.1179.30.9000110.7N77 D116 D117N77-N114 PolarHBondContact ND2-O 3.22Å; N77-N114 PolarHBondContact OD1-N 2.85Å; N77-N114 PolarHBondContact OD1-O 3.18Å; N114-D116 PolarHBondContact O-N 3.13Å; N114-D116 WeakPolarHBondContact OD1-CB 3.49Å; N114-D116 PolarHBondContact OD1-N 2.84Å; N114-D117 PolarHBondContact O-N 2.82Å; N114-D117 PolarHBondContact OD1-N 3.3Å
115P93.9Very high96.1Very high21 Ų2154.1 Ų54.114%0.13630%0.298CS..THydrogen-bonded Turntrans-75.9-0.9-179.235.5-41.6000114.3P113 A124 Y127 K128P113-P115 WeakPolarHBondContact O-CD 3.42Å; P115-A124 HydrophobicContact CB-CB 4.15Å; P115-Y127 HydrophobicContact CB-CD1 3.81Å; P115-Y127 HydrophobicContact CB-CE1 4.31Å; P115-Y127 HydrophobicContact CG-CD1 3.87Å; P115-Y127 HydrophobicContact CG-CE1 3.9Å; P115-K128 HydrophobicContact CB-CD 3.86Å; P115-K128 VanDerWaalsContact CB-CE 3.49Å; P115-K128 HydrophobicContact CB-CG 3.83Å; P115-K128 HydrophobicContact CG-CD 4.25Å; P115-K128 HydrophobicContact CG-CG 4.04Å; P115-K128 PolarHBondContact O-NZ 3.35Å
116D93.3Very high96.2Very high129 Ų12952.5 Ų52.569%0.6929%0.286SS*.THydrogen-bonded Turntrans-90.1-20.9177.4-62.7-36.8000112.7N114 P118 K128N114-D116 PolarHBondContact O-N 3.13Å; N114-D116 WeakPolarHBondContact OD1-CB 3.49Å; N114-D116 PolarHBondContact OD1-N 2.84Å; D116-P118 VanDerWaalsContact C-CD 3.42Å; D116-K128 WeakPolarHBondContact OD1-CE 3.45Å; D116-K128 IonicContact OD1-NZ 3.12Å; D116-K128 PolarHBondContact OD1-NZ 2.85Å
117D92.3Very high96.2Very high93 Ų9353.5 Ų53.550%0.49729%0.29SS..SBendtrans-127.563.3170.3-170.717.2000112.3N77 C85 N114N77-D117 PolarHBondContact ND2-O 3.01Å; C85-D117 PolarHBondContact SG-OD2 3.47Å; N114-D117 PolarHBondContact O-N 2.82Å; N114-D117 PolarHBondContact OD1-N 3.3Å
118P94.6Very high96.2Very high35 Ų3558.2 Ų58.223%0.22731%0.309CS..  trans-84142.7-174.735.2-35.7000112.7P76 D116 V120 A124P76-P118 HydrophobicContact CB-CB 4.32Å; P76-P118 CarbonylContact O-C 3.58Å; P76-P118 WeakPolarHBondContact O-CA 3.49Å; D116-P118 VanDerWaalsContact C-CD 3.42Å; P118-V120 VanDerWaalsContact C-N 3.33Å; P118-A124 HydrophobicContact CB-CB 3.44Å; P118-A124 VanDerWaalsContact CB-CB 3.44Å; P118-A124 HydrophobicContact CG-CB 3.7Å
119L96.2Very high96.4Very high53 Ų5359.7 Ų59.728%0.27732%0.315SS..SBendtrans-78-23.7163.4-67.1-176.2000112.3P76 N77 N79 S83 C85P76-L119 PolarHBondContact O-N 3.34Å; N77-L119 WeakPolarHBondContact O-CD1 3.2Å; N79-L119 HydrophobicContact CB-CB 4.19Å; N79-L119 HydrophobicContact CB-CD1 4.36Å; S83-L119 WeakPolarHBondContact O-CD1 3.25Å; C85-L119 HydrophobicContact CB-CD1 4.06Å; C85-L119 HydrophobicContact CB-CD2 3.84Å; C85-L119 HydrophobicContact CB-CG 3.6Å
120V97.7Very high96.4Very high36 Ų3662.1 Ų62.122%0.21833%0.328CS..SBendtrans-124.987.1-179.6-164.50000109P76 I78 N79 P118 E122 I123 A124P76-V120 PolarHBondContact O-N 3.48Å; I78-V120 WeakPolarHBondContact O-CG2 3.47Å; N79-V120 HydrophobicContact CB-CG2 4.16Å; P118-V120 VanDerWaalsContact C-N 3.33Å; V120-E122 PolarHBondContact O-N 3.46Å; V120-E122 VanDerWaalsContact O-N 3.14Å; V120-I123 HydrophobicContact CB-CB 4.21Å; V120-I123 HydrophobicContact CB-CD1 3.95Å; V120-I123 HydrophobicContact CB-CG1 4.04Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.7Å; V120-I123 HydrophobicContact CG1-CG1 3.58Å; V120-I123 HydrophobicContact CG2-CD1 4.32Å; V120-I123 PolarHBondContact O-N 2.9Å; V120-I123 VanDerWaalsContact O-N 3.09Å; V120-A124 PolarHBondContact O-N 3.25Å; V120-A124 VanDerWaalsContact O-N 3.1Å
121P97.5Very high96.4Very high90 Ų9068 Ų6858%0.58435%0.35SS*.Hα-helixtrans-56-32.4-175.8-28.435.7000114.1A124 R125P121-A124 PolarHBondContact O-N 3.07Å; P121-R125 WeakPolarHBondContact O-CB 3.36Å; P121-R125 PolarHBondContact O-N 2.87Å
122E97.5Very high96.6Very high130 Ų13073 Ų7361%0.60737%0.368SS*.Hα-helixtrans-63.7-46.8176.9-173.7-175.6174.100112.2V120 A124 R125 I126V120-E122 PolarHBondContact O-N 3.46Å; V120-E122 VanDerWaalsContact O-N 3.14Å; E122-A124 VanDerWaalsContact C-N 3.3Å; E122-A124 PolarHBondContact O-N 3.44Å; E122-R125 WeakPolarHBondContact O-CB 3.41Å; E122-R125 PolarHBondContact O-N 3.31Å; E122-I126 HydrophobicContact CG-CD1 4.42Å; E122-I126 WeakPolarHBondContact O-CG1 3.46Å; E122-I126 PolarHBondContact O-N 3.43Å
123I98.1Very high96.7Very high15 Ų1571.6 Ų71.68%0.07736%0.356CS..Hα-helixtrans-64.4-40.9177.3-59.9-178.7000109.6Y74 P76 V120 R125 I126 Y127 Y134Y74-I123 HydrophobicContact CD1-CD1 4.45Å; Y74-I123 HydrophobicContact CD1-CG2 4.15Å; Y74-I123 HydrophobicContact CD2-CD1 3.59Å; Y74-I123 HydrophobicContact CD2-CG1 4.19Å; Y74-I123 HydrophobicContact CE1-CD1 4.4Å; Y74-I123 HydrophobicContact CE1-CG1 4.23Å; Y74-I123 HydrophobicContact CE1-CG2 3.72Å; Y74-I123 HydrophobicContact CE2-CD1 3.51Å; Y74-I123 HydrophobicContact CE2-CG1 3.57Å; Y74-I123 HydrophobicContact CG-CD1 4.08Å; P76-I123 HydrophobicContact CB-CB 4.33Å; P76-I123 HydrophobicContact CB-CG2 4.03Å; P76-I123 HydrophobicContact CG-CG2 4.47Å; V120-I123 HydrophobicContact CB-CB 4.21Å; V120-I123 HydrophobicContact CB-CD1 3.95Å; V120-I123 HydrophobicContact CB-CG1 4.04Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.7Å; V120-I123 HydrophobicContact CG1-CG1 3.58Å; V120-I123 HydrophobicContact CG2-CD1 4.32Å; V120-I123 PolarHBondContact O-N 2.9Å; V120-I123 VanDerWaalsContact O-N 3.09Å; I123-R125 VanDerWaalsContact C-N 3.33Å; I123-R125 PolarHBondContact O-N 3.36Å; I123-I126 PolarHBondContact O-N 3.14Å; I123-Y127 WeakPolarHBondContact O-CB 3.46Å; I123-Y127 PolarHBondContact O-N 3.12Å; I123-Y134 HydrophobicContact CG2-CD2 4Å; I123-Y134 HydrophobicContact CG2-CE2 3.86Å
124A97.9Very high96.8Very high4 Ų471.2 Ų71.23%0.03335%0.354CS..Hα-helixtrans-62.9-39.4177.600000112.4P76 P115 P118 V120 P121 E122 Y127 K128P76-A124 HydrophobicContact CB-CB 3.82Å; P115-A124 HydrophobicContact CB-CB 4.15Å; P118-A124 HydrophobicContact CB-CB 3.44Å; P118-A124 VanDerWaalsContact CB-CB 3.44Å; P118-A124 HydrophobicContact CG-CB 3.7Å; V120-A124 PolarHBondContact O-N 3.25Å; V120-A124 VanDerWaalsContact O-N 3.1Å; P121-A124 PolarHBondContact O-N 3.07Å; E122-A124 VanDerWaalsContact C-N 3.3Å; E122-A124 PolarHBondContact O-N 3.44Å; A124-Y127 PolarHBondContact O-N 3.35Å; A124-K128 WeakPolarHBondContact O-CB 3.44Å; A124-K128 WeakPolarHBondContact O-CG 3.31Å; A124-K128 PolarHBondContact O-N 2.93Å
125R98.1Very high97Very high142 Ų14269.8 Ų69.854%0.53635%0.346SS..Hα-helixtrans-61.1-49.5173.7-170.4-17268.178.3-1.6110.6P121 E122 I123 Y127 K128 T129P121-R125 WeakPolarHBondContact O-CB 3.36Å; P121-R125 PolarHBondContact O-N 2.87Å; E122-R125 WeakPolarHBondContact O-CB 3.41Å; E122-R125 PolarHBondContact O-N 3.31Å; I123-R125 VanDerWaalsContact C-N 3.33Å; I123-R125 PolarHBondContact O-N 3.36Å; R125-Y127 VanDerWaalsContact C-N 3.35Å; R125-Y127 PolarHBondContact O-N 2.92Å; R125-K128 PolarHBondContact O-N 3.39Å; R125-T129 HydrophobicContact CG-CG2 4.34Å; R125-T129 WeakPolarHBondContact O-CB 3.22Å; R125-T129 WeakPolarHBondContact O-CG2 3.45Å; R125-T129 PolarHBondContact O-N 3.17Å; R125-T129 PolarHBondContact O-OG1 3.39Å
126I98.1Very high97.2Very high8 Ų874.5 Ų74.54%0.04136%0.361CS..Hα-helixtrans-61.6-44.3178-62.7167.2000110.4Y74 E122 I123 K128 T129 D130 K133Y74-I126 WeakPolarHBondContact OH-CD1 3.43Å; E122-I126 HydrophobicContact CG-CD1 4.42Å; E122-I126 WeakPolarHBondContact O-CG1 3.46Å; E122-I126 PolarHBondContact O-N 3.43Å; I123-I126 PolarHBondContact O-N 3.14Å; I126-K128 VanDerWaalsContact C-N 3.26Å; I126-K128 PolarHBondContact O-N 2.74Å; I126-T129 PolarHBondContact O-N 2.95Å; I126-D130 CarbonylContact O-C 3.46Å; I126-D130 WeakPolarHBondContact O-CA 3.48Å; I126-D130 PolarHBondContact O-N 3.02Å; I126-D130 VanDerWaalsContact O-O 3.05Å; I126-K133 HydrophobicContact CG2-CB 4.31Å; I126-K133 HydrophobicContact CG2-CD 4.23Å; I126-K133 HydrophobicContact CG2-CG 4.13Å
127Y97.9Very high97.4Very high20 Ų2069.6 Ų69.68%0.07833%0.334CS..Hα-helixtrans-56.6-37.7176.6178.7-98.8000113.4P113 P115 I123 A124 R125 R131 Y134P113-Y127 HydrophobicContact CB-CE1 4.33Å; P113-Y127 HydrophobicContact CB-CE2 4.17Å; P113-Y127 HydrophobicContact CG-CD2 4.3Å; P113-Y127 HydrophobicContact CG-CE2 3.68Å; P115-Y127 HydrophobicContact CB-CD1 3.81Å; P115-Y127 HydrophobicContact CB-CE1 4.31Å; P115-Y127 HydrophobicContact CG-CD1 3.87Å; P115-Y127 HydrophobicContact CG-CE1 3.9Å; I123-Y127 WeakPolarHBondContact O-CB 3.46Å; I123-Y127 PolarHBondContact O-N 3.12Å; A124-Y127 PolarHBondContact O-N 3.35Å; R125-Y127 VanDerWaalsContact C-N 3.35Å; R125-Y127 PolarHBondContact O-N 2.92Å; Y127-R131 VanDerWaalsContact CE2-NE 3.31Å; Y127-R131 PolarHBondContact O-NE 2.86Å; Y127-R131 VanDerWaalsContact OH-CZ 3.31Å; Y127-R131 PolarHBondContact OH-NH1 3.19Å; Y127-R131 PolarHBondContact OH-NH2 3.02Å; Y127-Y134 AromaticContact CD2-CD1 3.57Å; Y127-Y134 HydrophobicContact CD2-CD1 3.57Å; Y127-Y134 HydrophobicContact CD2-CD2 4.09Å; Y127-Y134 AromaticContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE2 4.08Å; Y127-Y134 AromaticContact CD2-CG 3.83Å; Y127-Y134 HydrophobicContact CD2-CG 3.83Å; Y127-Y134 AromaticContact CD2-CZ 3.78Å; Y127-Y134 HydrophobicContact CE2-CD1 4.16Å; Y127-Y134 AromaticContact CE2-CE1 3.85Å; Y127-Y134 HydrophobicContact CE2-CE1 3.85Å
128K97.3Very high97.7Very high113 Ų11365.1 Ų65.149%0.49131%0.31SS..Hα-helixtrans-77.6-39.5177.1-78.9172.3158.3161.30113.2P115 D116 A124 R125 I126P115-K128 HydrophobicContact CB-CD 3.86Å; P115-K128 VanDerWaalsContact CB-CE 3.49Å; P115-K128 HydrophobicContact CB-CG 3.83Å; P115-K128 HydrophobicContact CG-CD 4.25Å; P115-K128 HydrophobicContact CG-CG 4.04Å; P115-K128 PolarHBondContact O-NZ 3.35Å; D116-K128 WeakPolarHBondContact OD1-CE 3.45Å; D116-K128 IonicContact OD1-NZ 3.12Å; D116-K128 PolarHBondContact OD1-NZ 2.85Å; A124-K128 WeakPolarHBondContact O-CB 3.44Å; A124-K128 WeakPolarHBondContact O-CG 3.31Å; A124-K128 PolarHBondContact O-N 2.93Å; R125-K128 PolarHBondContact O-N 3.39Å; I126-K128 VanDerWaalsContact C-N 3.26Å; I126-K128 PolarHBondContact O-N 2.74Å
129T97.7Very high97.9Very high98 Ų9869.5 Ų69.560%0.60132%0.322SS*.Hα-helixtrans-96.3-26.2-171.261.80000114.6R125 I126R125-T129 HydrophobicContact CG-CG2 4.34Å; R125-T129 WeakPolarHBondContact O-CB 3.22Å; R125-T129 WeakPolarHBondContact O-CG2 3.45Å; R125-T129 PolarHBondContact O-N 3.17Å; R125-T129 PolarHBondContact O-OG1 3.39Å; I126-T129 PolarHBondContact O-N 2.95Å
130D97.7Very high98Very high66 Ų6671.2 Ų71.235%0.35333%0.329SS..  trans-152.480.6-173-173.5-14.7000109.8I126 E132 K133 Y134I126-D130 CarbonylContact O-C 3.46Å; I126-D130 WeakPolarHBondContact O-CA 3.48Å; I126-D130 PolarHBondContact O-N 3.02Å; I126-D130 VanDerWaalsContact O-O 3.05Å; D130-E132 VanDerWaalsContact C-N 3.28Å; D130-E132 PolarHBondContact O-N 3.06Å; D130-K133 HydrophobicContact CB-CB 4.05Å; D130-K133 PolarHBondContact O-N 3.22Å; D130-K133 WeakPolarHBondContact OD1-CB 3.45Å; D130-K133 PolarHBondContact OD1-N 3.38Å; D130-K133 WeakPolarHBondContact OD2-CB 3.34Å; D130-K133 WeakPolarHBondContact OD2-CD 3.32Å; D130-Y134 PolarHBondContact O-N 3.18Å
131R97.5Very high98Very high123 Ų12373.6 Ų73.646%0.46433%0.334SS..Hα-helixtrans-62.9-34.7-176.8-175.862.26793.95.9112.3Y127 Y134 N135Y127-R131 VanDerWaalsContact CE2-NE 3.31Å; Y127-R131 PolarHBondContact O-NE 2.86Å; Y127-R131 VanDerWaalsContact OH-CZ 3.31Å; Y127-R131 PolarHBondContact OH-NH1 3.19Å; Y127-R131 PolarHBondContact OH-NH2 3.02Å; R131-Y134 PolarHBondContact O-N 2.85Å; R131-N135 WeakPolarHBondContact O-CB 3.36Å; R131-N135 VanDerWaalsContact O-CG 3.26Å; R131-N135 PolarHBondContact O-N 3.25Å; R131-N135 PolarHBondContact O-ND2 2.67Å
132E98Very high98.1Very high164 Ų16469.5 Ų69.577%0.76631%0.308SS*.Hα-helixtrans-66.9-45.5179.1-66.2-170.5160.200111.4D130 N135 R136D130-E132 VanDerWaalsContact C-N 3.28Å; D130-E132 PolarHBondContact O-N 3.06Å; E132-N135 PolarHBondContact O-N 3.11Å; E132-R136 WeakPolarHBondContact O-CB 3.24Å; E132-R136 PolarHBondContact O-N 2.87Å
133K98.3Very high98.1Very high85 Ų8569.6 Ų69.637%0.3731%0.308SS..Hα-helixtrans-62.5-43.4174.4-179.9176.6-180176.40112I126 D130 R136 I137I126-K133 HydrophobicContact CG2-CB 4.31Å; I126-K133 HydrophobicContact CG2-CD 4.23Å; I126-K133 HydrophobicContact CG2-CG 4.13Å; D130-K133 HydrophobicContact CB-CB 4.05Å; D130-K133 PolarHBondContact O-N 3.22Å; D130-K133 WeakPolarHBondContact OD1-CB 3.45Å; D130-K133 PolarHBondContact OD1-N 3.38Å; D130-K133 WeakPolarHBondContact OD2-CB 3.34Å; D130-K133 WeakPolarHBondContact OD2-CD 3.32Å; K133-R136 PolarHBondContact O-N 2.71Å; K133-I137 HydrophobicContact CG-CD1 3.81Å; K133-I137 HydrophobicContact CG-CG1 4.48Å; K133-I137 VanDerWaalsContact O-CG1 3.3Å; K133-I137 WeakPolarHBondContact O-CG1 3.31Å; K133-I137 PolarHBondContact O-N 3.37Å
134Y98.4Very high98.1Very high3 Ų376 Ų761%0.01234%0.335CS..Hα-helixtrans-55.8-52.7173.6165.3-95.5000110.8P44 Y45 Y74 I123 Y127 D130 R131 R136 I137 A138P44-Y134 HydrophobicContact CG-CE1 4.17Å; Y45-Y134 PolarHBondContact OH-OH 3.45Å; Y74-Y134 HydrophobicContact CD1-CD2 4.16Å; Y74-Y134 HydrophobicContact CD1-CE2 4.12Å; Y74-Y134 AromaticContact CE1-CD2 3.8Å; Y74-Y134 HydrophobicContact CE1-CD2 3.8Å; Y74-Y134 HydrophobicContact CE1-CE2 4.19Å; I123-Y134 HydrophobicContact CG2-CD2 4Å; I123-Y134 HydrophobicContact CG2-CE2 3.86Å; Y127-Y134 AromaticContact CD2-CD1 3.57Å; Y127-Y134 HydrophobicContact CD2-CD1 3.57Å; Y127-Y134 HydrophobicContact CD2-CD2 4.09Å; Y127-Y134 AromaticContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE1 3.52Å; Y127-Y134 HydrophobicContact CD2-CE2 4.08Å; Y127-Y134 AromaticContact CD2-CG 3.83Å; Y127-Y134 HydrophobicContact CD2-CG 3.83Å; Y127-Y134 AromaticContact CD2-CZ 3.78Å; Y127-Y134 HydrophobicContact CE2-CD1 4.16Å; Y127-Y134 AromaticContact CE2-CE1 3.85Å; Y127-Y134 HydrophobicContact CE2-CE1 3.85Å; D130-Y134 PolarHBondContact O-N 3.18Å; R131-Y134 PolarHBondContact O-N 2.85Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 2.72Å; Y134-I137 PolarHBondContact O-N 2.92Å; Y134-A138 WeakPolarHBondContact O-CB 3.31Å; Y134-A138 PolarHBondContact O-N 2.84Å
135N98.3Very high98.1Very high37 Ų3779.3 Ų79.320%0.19835%0.348CS..Hα-helixtrans-60.5-40.3-178.8-76.4-17000111.8P44 R131 E132 R139P44-N135 HydrophobicContact CB-CB 4.45Å; R131-N135 WeakPolarHBondContact O-CB 3.36Å; R131-N135 VanDerWaalsContact O-CG 3.26Å; R131-N135 PolarHBondContact O-N 3.25Å; R131-N135 PolarHBondContact O-ND2 2.67Å; E132-N135 PolarHBondContact O-N 3.11Å; N135-R139 WeakPolarHBondContact O-CB 3.44Å; N135-R139 VanDerWaalsContact O-CG 3.25Å; N135-R139 WeakPolarHBondContact O-CG 3.45Å; N135-R139 PolarHBondContact O-N 3Å
136R98.5Very high98.1Very high121 Ų12173 Ų7346%0.45733%0.326SS..Hα-helixtrans-62.3-50.2176.5-174.6179.456.270.8-0.5111.7E132 K133 Y134 A138 R139 E140E132-R136 WeakPolarHBondContact O-CB 3.24Å; E132-R136 PolarHBondContact O-N 2.87Å; K133-R136 PolarHBondContact O-N 2.71Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 2.72Å; R136-A138 PolarHBondContact O-N 2.88Å; R136-R139 PolarHBondContact O-N 3.35Å; R136-E140 WeakPolarHBondContact CG-OE1 3.48Å; R136-E140 IonicContact CZ-OE1 2.68Å; R136-E140 IonicContact NH1-OE1 3.85Å; R136-E140 PolarHBondContact NH1-OE1 3.43Å; R136-E140 IonicContact NH1-OE2 2.73Å; R136-E140 WeakPolarHBondContact O-CG 3.27Å; R136-E140 PolarHBondContact O-N 3.31Å
137I98.4Very high97.9Very high25 Ų2580.6 Ų80.613%0.12836%0.363CS..Hα-helixtrans-64.8-42.2179.8-63.1167.2000110.9Y74 K133 Y134 R139 E140 W141Y74-I137 HydrophobicContact CD1-CB 4.26Å; Y74-I137 HydrophobicContact CD1-CG2 3.81Å; Y74-I137 HydrophobicContact CD2-CG2 3.84Å; Y74-I137 HydrophobicContact CE1-CB 3.99Å; Y74-I137 HydrophobicContact CE1-CG2 3.7Å; Y74-I137 HydrophobicContact CE2-CG2 3.75Å; Y74-I137 HydrophobicContact CG-CG2 3.87Å; K133-I137 HydrophobicContact CG-CD1 3.81Å; K133-I137 HydrophobicContact CG-CG1 4.48Å; K133-I137 VanDerWaalsContact O-CG1 3.3Å; K133-I137 WeakPolarHBondContact O-CG1 3.31Å; K133-I137 PolarHBondContact O-N 3.37Å; Y134-I137 PolarHBondContact O-N 2.92Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 3.13Å; I137-E140 WeakPolarHBondContact O-CB 3.36Å; I137-E140 PolarHBondContact O-N 2.86Å; I137-W141 VanDerWaalsContact O-CD1 3.26Å; I137-W141 PolarHBondContact O-N 2.94Å
138A98.5Very high97.9Very high0 Ų083.7 Ų83.70%038%0.377CS..Hα-helixtrans-62.6-38.5177.500000112.3P44 Y45 Y74 Y134 R136 W141 T142P44-A138 HydrophobicContact CB-CB 3.57Å; P44-A138 HydrophobicContact CG-CB 3.77Å; Y45-A138 HydrophobicContact CE1-CB 4.14Å; Y74-A138 HydrophobicContact CD1-CB 4.14Å; Y134-A138 WeakPolarHBondContact O-CB 3.31Å; Y134-A138 PolarHBondContact O-N 2.84Å; R136-A138 PolarHBondContact O-N 2.88Å; A138-W141 PolarHBondContact O-N 3.42Å; A138-T142 WeakPolarHBondContact O-CB 3.25Å; A138-T142 PolarHBondContact O-N 2.85Å; A138-T142 PolarHBondContact O-OG1 2.88Å
139R98.4Very high97.9Very high126 Ų12682.1 Ų82.148%0.47537%0.371SS..Hα-helixtrans-65.1-44.8172.1-73.7178-164.2123.7-2.2112.5P44 N135 R136 I137 W141 T142 Q143P44-R139 HydrophobicContact CB-CG 3.83Å; P44-R139 WeakPolarHBondContact O-CA 3.4Å; P44-R139 WeakPolarHBondContact O-CG 3.42Å; N135-R139 WeakPolarHBondContact O-CB 3.44Å; N135-R139 VanDerWaalsContact O-CG 3.25Å; N135-R139 WeakPolarHBondContact O-CG 3.45Å; N135-R139 PolarHBondContact O-N 3Å; R136-R139 PolarHBondContact O-N 3.35Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 3.13Å; R139-W141 VanDerWaalsContact C-N 3.28Å; R139-W141 PolarHBondContact O-N 3.25Å; R139-T142 PolarHBondContact O-N 3.1Å; R139-Q143 WeakPolarHBondContact O-CG 3.39Å; R139-Q143 PolarHBondContact O-N 3.05Å
140E98.4Very high97.9Very high90 Ų9081.2 Ų81.242%0.42136%0.358SS..Hα-helixtrans-58.2-41.4176.1-73166.9-168.300111.4R136 I137 K144R136-E140 WeakPolarHBondContact CG-OE1 3.48Å; R136-E140 IonicContact CZ-OE1 2.68Å; R136-E140 IonicContact NH1-OE1 3.85Å; R136-E140 PolarHBondContact NH1-OE1 3.43Å; R136-E140 IonicContact NH1-OE2 2.73Å; R136-E140 WeakPolarHBondContact O-CG 3.27Å; R136-E140 PolarHBondContact O-N 3.31Å; I137-E140 WeakPolarHBondContact O-CB 3.36Å; I137-E140 PolarHBondContact O-N 2.86Å; E140-K144 VanDerWaalsContact O-CB 3.27Å; E140-K144 WeakPolarHBondContact O-CB 3.44Å; E140-K144 PolarHBondContact O-N 3.2Å; E140-K144 VanDerWaalsContact O-N 3.07Å
141W98.4Very high97.9Very high85 Ų8582.1 Ų82.132%0.32236%0.359SS..Hα-helixtrans-67.8-41.4175.6-86.160.1000112.8R72 Y74 I137 A138 R139 K144 Y145R72-W141 HydrophobicContact CB-CE3 4.35Å; R72-W141 HydrophobicContact CB-CZ3 4.11Å; Y74-W141 HydrophobicContact CD2-CD2 4.37Å; Y74-W141 HydrophobicContact CD2-CZ2 4.32Å; Y74-W141 HydrophobicContact CG-CG 4.47Å; I137-W141 VanDerWaalsContact O-CD1 3.26Å; I137-W141 PolarHBondContact O-N 2.94Å; A138-W141 PolarHBondContact O-N 3.42Å; R139-W141 VanDerWaalsContact C-N 3.28Å; R139-W141 PolarHBondContact O-N 3.25Å; W141-K144 PolarHBondContact O-N 2.75Å; W141-Y145 HydrophobicContact CB-CD2 4.27Å; W141-Y145 HydrophobicContact CD2-CD2 4.04Å; W141-Y145 AromaticContact CD2-CE2 3.71Å; W141-Y145 HydrophobicContact CD2-CE2 3.71Å; W141-Y145 AromaticContact CE3-CD2 3.75Å; W141-Y145 HydrophobicContact CE3-CD2 3.75Å; W141-Y145 AromaticContact CE3-CE2 3.64Å; W141-Y145 HydrophobicContact CE3-CE2 3.64Å; W141-Y145 HydrophobicContact CG-CD2 4.29Å; W141-Y145 HydrophobicContact CG-CE2 4.15Å; W141-Y145 HydrophobicContact CZ3-CD2 4.46Å; W141-Y145 HydrophobicContact CZ3-CE2 4.12Å; W141-Y145 WeakPolarHBondContact O-CD2 3.48Å; W141-Y145 PolarHBondContact O-N 2.94Å
142T98.6Very high98Very high5 Ų579.6 Ų79.63%0.03135%0.352CS..Hα-helixtrans-59.6-49.4176.8-60.70000110.5P44 Y45 F50 A138 R139 K144 A146 M147P44-T142 PolarHBondContact O-OG1 3.17Å; Y45-T142 WeakPolarHBondContact O-CG2 3.33Å; F50-T142 HydrophobicContact CZ-CG2 4.03Å; A138-T142 WeakPolarHBondContact O-CB 3.25Å; A138-T142 PolarHBondContact O-N 2.85Å; A138-T142 PolarHBondContact O-OG1 2.88Å; R139-T142 PolarHBondContact O-N 3.1Å; T142-K144 VanDerWaalsContact C-N 3.27Å; T142-K144 PolarHBondContact O-N 3.33Å; T142-A146 HydrophobicContact CG2-CB 4.38Å; T142-A146 CarbonylContact O-C 3.58Å; T142-A146 WeakPolarHBondContact O-CA 3.15Å; T142-A146 WeakPolarHBondContact O-CB 3.18Å; T142-A146 PolarHBondContact O-N 2.87Å; T142-M147 HydrophobicContact CG2-CG 4.48Å; T142-M147 PolarHBondContact O-N 2.71Å
143Q98.2Very high98Very high132 Ų13273.9 Ų73.962%0.61733%0.325SS*.Hα-helixtrans-60-36.8176.2-71.4175.4100112.9R139 M147R139-Q143 WeakPolarHBondContact O-CG 3.39Å; R139-Q143 PolarHBondContact O-N 3.05Å; Q143-M147 HydrophobicContact CB-SD 4.32Å; Q143-M147 HydrophobicContact CG-SD 3.8Å
144K98.2Very high97.9Very high149 Ų14973.1 Ų73.165%0.64832%0.321SS*.Hα-helixtrans-79.7-33.6-175.2-174.8173.6179.1-175.90114E140 W141 T142E140-K144 VanDerWaalsContact O-CB 3.27Å; E140-K144 WeakPolarHBondContact O-CB 3.44Å; E140-K144 PolarHBondContact O-N 3.2Å; E140-K144 VanDerWaalsContact O-N 3.07Å; W141-K144 PolarHBondContact O-N 2.75Å; T142-K144 VanDerWaalsContact C-N 3.27Å; T142-K144 PolarHBondContact O-N 3.33Å
145Y98.1Very high97.9Very high74 Ų7478.5 Ų78.529%0.2935%0.345SS..Hα-helixtrans-121.8-14.7-167.6-58.8-62.5000114.5T71 R72 W141T71-Y145 VanDerWaalsContact CG2-O 3.31Å; T71-Y145 WeakPolarHBondContact CG2-O 3.49Å; R72-Y145 HydrophobicContact CB-CD1 4.33Å; R72-Y145 HydrophobicContact CB-CD2 3.97Å; R72-Y145 HydrophobicContact CB-CE2 4.48Å; R72-Y145 HydrophobicContact CB-CG 3.88Å; W141-Y145 HydrophobicContact CB-CD2 4.27Å; W141-Y145 HydrophobicContact CD2-CD2 4.04Å; W141-Y145 AromaticContact CD2-CE2 3.71Å; W141-Y145 HydrophobicContact CD2-CE2 3.71Å; W141-Y145 AromaticContact CE3-CD2 3.75Å; W141-Y145 HydrophobicContact CE3-CD2 3.75Å; W141-Y145 AromaticContact CE3-CE2 3.64Å; W141-Y145 HydrophobicContact CE3-CE2 3.64Å; W141-Y145 HydrophobicContact CG-CD2 4.29Å; W141-Y145 HydrophobicContact CG-CE2 4.15Å; W141-Y145 HydrophobicContact CZ3-CD2 4.46Å; W141-Y145 HydrophobicContact CZ3-CE2 4.12Å; W141-Y145 WeakPolarHBondContact O-CD2 3.48Å; W141-Y145 PolarHBondContact O-N 2.94Å
146A97.6Very high97.9Very high9 Ų982 Ų827%0.07436%0.358CS..  trans-127.40.5-171.900000113.9G48 V49 F50 T71 T142G48-A146 CarbonylContact C-O 3.53Å; G48-A146 WeakPolarHBondContact CA-O 3.4Å; V49-A146 PolarHBondContact N-O 3.47Å; F50-A146 HydrophobicContact CD1-CB 4.01Å; F50-A146 HydrophobicContact CE1-CB 3.61Å; F50-A146 HydrophobicContact CE2-CB 4.26Å; F50-A146 HydrophobicContact CG-CB 4.5Å; F50-A146 HydrophobicContact CZ-CB 3.75Å; T71-A146 HydrophobicContact CG2-CB 3.85Å; T142-A146 HydrophobicContact CG2-CB 4.38Å; T142-A146 CarbonylContact O-C 3.58Å; T142-A146 WeakPolarHBondContact O-CA 3.15Å; T142-A146 WeakPolarHBondContact O-CB 3.18Å; T142-A146 PolarHBondContact O-N 2.87Å
147M93.4Very high97.8Very high168 Ų16878.5 Ų78.583%0.82835%0.349SS*.  trans-113.10177.8-65.2-17375.300112T142 Q143T142-M147 HydrophobicContact CG2-CG 4.48Å; T142-M147 PolarHBondContact O-N 2.71Å; Q143-M147 HydrophobicContact CB-SD 4.32Å; Q143-M147 HydrophobicContact CG-SD 3.8Å

Retrieved 147 of 147 residues in 224.4 ms (Link to these results)

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