A0A087X6K9_POEFO Loading...

Intraflagellar transport 52 homolog (Chlamydomonas)

AlphaFold DB , UniProt , Accession A0A087X6K9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 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
1M29.8Very low59.2Low246 Ų246105.8 Ų105.8100%1.21250%0.5SS*.  079.30-88.4-179.6150.600107.4K3M1-K3 PolarHBondContact O-N 3.39Å
2E31.2Very low61.8Low194 Ų19497.2 Ų97.291%0.90746%0.459SS*.  trans-74.9115.2173-73.8170.5153.200107E4E2-E4 PolarHBondContact O-N 3.11Å; E2-E4 VanDerWaalsContact O-N 3.09Å
3K33.4Very low63.8Low194 Ų19492.2 Ų92.284%0.84344%0.444SS*.  trans-62.3113.8169.1-79.6179174.9177.60106.3M1 Q5M1-K3 PolarHBondContact O-N 3.39Å; K3-Q5 VanDerWaalsContact C-N 3.34Å; K3-Q5 PolarHBondContact O-N 2.94Å
4E37.7Very low65.5Low172 Ų17287 Ų8780%0.80442%0.423SS*.  trans-46.7101.4163.9-72.3176.8151.800108.1E2 Q6E2-E4 PolarHBondContact O-N 3.11Å; E2-E4 VanDerWaalsContact O-N 3.09Å; E4-Q6 PolarHBondContact O-N 3.14Å
5Q45Very low67Low177 Ų17782.2 Ų82.283%0.82740%0.399SS*.  trans-6888.5170.4-89.1171-2700106.2K3 S7K3-Q5 VanDerWaalsContact C-N 3.34Å; K3-Q5 PolarHBondContact O-N 2.94Å; Q5-S7 VanDerWaalsContact C-N 3.31Å; Q5-S7 PolarHBondContact O-N 2.93Å; Q5-S7 PolarHBondContact O-OG 3.29Å
6Q48.9Very low68.3Low99 Ų9988.7 Ų88.746%0.46342%0.418SS..  trans-54101.7167.1-70.5-1748.100106.7E4 F8 K37E4-Q6 PolarHBondContact O-N 3.14Å; Q6-F8 HydrophobicContact CB-CE2 3.83Å; Q6-F8 HydrophobicContact CB-CZ 3.79Å; Q6-F8 WeakPolarHBondContact O-CD2 3.45Å; Q6-F8 WeakPolarHBondContact O-CE2 3.5Å; Q6-K37 VanDerWaalsContact CD-NZ 3.31Å
7S71.2Confident69.5Low33 Ų3384.9 Ų84.923%0.23140%0.4CS..  trans-88.3124.1-176.9-22.20000108.3Q5 W36Q5-S7 VanDerWaalsContact C-N 3.31Å; Q5-S7 PolarHBondContact O-N 2.93Å; Q5-S7 PolarHBondContact O-OG 3.29Å; S7-W36 VanDerWaalsContact OG-CZ3 3.31Å; S7-W36 WeakPolarHBondContact OG-CZ3 3.08Å
8F85.6Confident70.6Confident44 Ų4482 Ų8219%0.19339%0.387CS..EExtended strand (participates in β ladder)trans-98.7147.2-177.2-60.8-84.2000110.1Q6 K37 Q39 G52 K54Q6-F8 HydrophobicContact CB-CE2 3.83Å; Q6-F8 HydrophobicContact CB-CZ 3.79Å; Q6-F8 WeakPolarHBondContact O-CD2 3.45Å; Q6-F8 WeakPolarHBondContact O-CE2 3.5Å; F8-K37 WeakPolarHBondContact CA-O 3.11Å; F8-K37 HydrophobicContact CD1-CB 3.62Å; F8-K37 HydrophobicContact CD1-CD 4.4Å; F8-K37 HydrophobicContact CE1-CB 3.81Å; F8-K37 HydrophobicContact CE1-CD 3.71Å; F8-K37 HydrophobicContact CE1-CG 4.41Å; F8-K37 HydrophobicContact CZ-CD 4.44Å; F8-Q39 HydrophobicContact CD1-CG 4.26Å; F8-G52 PolarHBondContact N-O 2.72Å; F8-K54 PolarHBondContact O-N 2.87Å
9I88.6Confident71.5Confident0 Ų078.5 Ų78.50%037%0.37CS..EExtended strand (participates in β ladder)trans-108.5130.6166.5-59.6178.8000107.5F11 L32 W36 K37 I38 Q39 L55 I57 M241I9-F11 HydrophobicContact CG2-CD2 4.47Å; I9-F11 HydrophobicContact CG2-CE2 4.17Å; I9-L32 HydrophobicContact CD1-CB 4.18Å; I9-L32 HydrophobicContact CD1-CD1 4.03Å; I9-L32 HydrophobicContact CD1-CD2 3.6Å; I9-L32 HydrophobicContact CD1-CG 4.14Å; I9-L32 HydrophobicContact CG2-CD1 4.4Å; I9-W36 HydrophobicContact CD1-CB 3.62Å; I9-W36 HydrophobicContact CD1-CG 3.7Å; I9-W36 HydrophobicContact CG1-CB 3.9Å; I9-W36 HydrophobicContact CG1-CG 4.21Å; I9-K37 PolarHBondContact N-O 3.16Å; I9-I38 WeakPolarHBondContact O-CA 3.48Å; I9-Q39 PolarHBondContact O-N 3.48Å; I9-L55 WeakPolarHBondContact CA-O 3.29Å; I9-L55 HydrophobicContact CG1-CB 4.3Å; I9-L55 HydrophobicContact CG2-CB 4.27Å; I9-L55 HydrophobicContact CG2-CD2 4.3Å; I9-L55 HydrophobicContact CG2-CG 4.34Å; I9-I57 HydrophobicContact CG2-CD1 3.82Å; I9-I57 HydrophobicContact CG2-CG1 4.3Å; I9-M241 HydrophobicContact CD1-CE 3.91Å; I9-M241 HydrophobicContact CG1-CE 4.18Å
10I90.3Very high72.1Confident2 Ų275.2 Ų75.21%0.0136%0.358CS..EExtended strand (participates in β ladder)trans-110125.7-178.8-65.1-164.9000110.1Q39 I41 V53 L55 I57I10-Q39 WeakPolarHBondContact CA-O 3.38Å; I10-I41 HydrophobicContact CD1-CD1 3.48Å; I10-I41 VanDerWaalsContact CD1-CD1 3.48Å; I10-I41 HydrophobicContact CD1-CG1 3.97Å; I10-I41 HydrophobicContact CG2-CB 4.13Å; I10-I41 HydrophobicContact CG2-CD1 3.78Å; I10-I41 HydrophobicContact CG2-CG1 3.7Å; I10-V53 HydrophobicContact CB-CG1 4.08Å; I10-V53 HydrophobicContact CD1-CB 4.28Å; I10-V53 HydrophobicContact CD1-CG1 4Å; I10-V53 HydrophobicContact CD1-CG2 3.29Å; I10-V53 HydrophobicContact CG1-CB 4.42Å; I10-V53 HydrophobicContact CG1-CG1 3.69Å; I10-V53 HydrophobicContact CG1-CG2 3.81Å; I10-L55 PolarHBondContact N-O 3.13Å; I10-I57 PolarHBondContact O-N 2.9Å
11F90.1Very high72.5Confident3 Ų373 Ų731%0.01335%0.348CS..EExtended strand (participates in β ladder)trans-96.2120.5162.4-73.2-103.2000108.6I9 I21 Y25 M28 L32 I38 Q39 S40 I41 I57I9-F11 HydrophobicContact CG2-CD2 4.47Å; I9-F11 HydrophobicContact CG2-CE2 4.17Å; F11-I21 HydrophobicContact CB-CD1 3.71Å; F11-I21 HydrophobicContact CB-CG1 3.77Å; F11-I21 HydrophobicContact CD2-CD1 4.04Å; F11-I21 HydrophobicContact CD2-CG1 3.85Å; F11-I21 HydrophobicContact CG-CD1 4.15Å; F11-I21 HydrophobicContact CG-CG1 3.84Å; F11-Y25 HydrophobicContact CD1-CD2 4.43Å; F11-Y25 AromaticContact CE1-CD2 3.94Å; F11-Y25 HydrophobicContact CE1-CD2 3.94Å; F11-M28 HydrophobicContact CE1-SD 4.14Å; F11-M28 HydrophobicContact CZ-CE 4.45Å; F11-M28 HydrophobicContact CZ-SD 4.06Å; F11-L32 HydrophobicContact CE2-CD1 4.19Å; F11-L32 HydrophobicContact CZ-CD1 4.09Å; F11-I38 HydrophobicContact CD2-CG2 3.57Å; F11-I38 HydrophobicContact CE2-CD1 4.4Å; F11-I38 HydrophobicContact CE2-CG2 3.74Å; F11-Q39 PolarHBondContact N-O 3.48Å; F11-S40 WeakPolarHBondContact O-CA 3.44Å; F11-I41 PolarHBondContact O-N 3.07Å; F11-I57 HydrophobicContact CD1-CB 4.23Å; F11-I57 HydrophobicContact CD1-CG2 4.17Å; F11-I57 HydrophobicContact CE1-CB 4.39Å; F11-I57 HydrophobicContact CE1-CD1 3.98Å; F11-I57 HydrophobicContact CE1-CG2 4.11Å; F11-I57 HydrophobicContact CE2-CD1 3.99Å; F11-I57 HydrophobicContact CZ-CD1 3.69Å
12N89.9Confident74.9Confident2 Ų268 Ų681%0.01133%0.327CS..EExtended strand (participates in β ladder)trans-69.3133.9175.3-155.647.5000109.9S14 E17 W56 I57N12-S14 PolarHBondContact ND2-OG 2.98Å; N12-S14 PolarHBondContact OD1-OG 3.06Å; N12-S14 VanDerWaalsContact OD1-OG 3.07Å; N12-E17 VanDerWaalsContact C-CD 3.45Å; N12-E17 VanDerWaalsContact CB-OE1 3.25Å; N12-E17 WeakPolarHBondContact CB-OE1 3.25Å; N12-E17 VanDerWaalsContact CG-OE1 3.25Å; N12-E17 PolarHBondContact ND2-OE1 2.64Å; N12-E17 WeakPolarHBondContact O-CG 3.39Å; N12-W56 HydrophobicContact CB-CZ2 3.87Å; N12-I57 PolarHBondContact N-O 3.37Å
13A88.2Confident77.2Confident32 Ų3263.4 Ų63.426%0.26431%0.308SS..  trans-133.510.6175.200000110.9E17 S40 I41 K42A13-E17 WeakPolarHBondContact CA-OE2 3.5Å; A13-E17 PolarHBondContact N-OE2 3.12Å; A13-S40 WeakPolarHBondContact CB-OG 3.39Å; A13-I41 CarbonylContact C-O 3.59Å; A13-I41 VanDerWaalsContact CA-O 3.31Å; A13-I41 WeakPolarHBondContact CA-O 3.26Å; A13-I41 WeakPolarHBondContact CB-O 3.31Å; A13-I41 PolarHBondContact N-O 2.83Å; A13-K42 HydrophobicContact CB-CG 4.06Å
14S86.8Confident79.4Confident20 Ų2054.6 Ų54.614%0.1427%0.273CS..THydrogen-bonded Turntrans-81.2-22.3-176.263.50000112.9N12 E17 I41 E43N12-S14 PolarHBondContact ND2-OG 2.98Å; N12-S14 PolarHBondContact OD1-OG 3.06Å; N12-S14 VanDerWaalsContact OD1-OG 3.07Å; S14-E17 PolarHBondContact N-OE2 3.18Å; S14-I41 PolarHBondContact N-O 3.33Å; S14-E43 VanDerWaalsContact CB-O 3.3Å; S14-E43 WeakPolarHBondContact CB-O 3.46Å
15K88.8Confident81.7Confident15 Ų1546.4 Ų46.47%0.06523%0.234CC..THydrogen-bonded Turntrans-111.129.9-176.1-60.2-59-178.8178.50112.5E17 P61 R62 E63 K64 F65 E69K15-E17 VanDerWaalsContact C-N 3.3Å; K15-E17 PolarHBondContact N-OE2 3.25Å; K15-E17 PolarHBondContact O-N 3.33Å; K15-P61 HydrophobicContact CB-CB 3.96Å; K15-R62 PolarHBondContact O-N 3.27Å; K15-E63 HydrophobicContact CB-CB 4.06Å; K15-E63 HydrophobicContact CD-CB 4.03Å; K15-E63 HydrophobicContact CD-CG 4.31Å; K15-E63 PolarHBondContact O-N 3.4Å; K15-K64 WeakPolarHBondContact CE-O 3.39Å; K15-K64 PolarHBondContact NZ-O 2.78Å; K15-F65 HydrophobicContact CB-CZ 4.31Å; K15-F65 HydrophobicContact CD-CD1 4.44Å; K15-F65 HydrophobicContact CD-CE1 4.45Å; K15-F65 HydrophobicContact CG-CD1 4.1Å; K15-F65 HydrophobicContact CG-CE1 3.63Å; K15-F65 HydrophobicContact CG-CE2 4.16Å; K15-F65 HydrophobicContact CG-CZ 3.67Å; K15-E69 VanDerWaalsContact CE-OE1 3.32Å; K15-E69 WeakPolarHBondContact CE-OE1 3.17Å; K15-E69 WeakPolarHBondContact CE-OE2 3.35Å; K15-E69 VanDerWaalsContact NZ-CD 3.33Å; K15-E69 IonicContact NZ-OE1 2.68Å; K15-E69 PolarHBondContact NZ-OE1 3.24Å; K15-E69 IonicContact NZ-OE2 3.7Å; K15-E69 PolarHBondContact NZ-OE2 3.21Å
16R87.8Confident83.6Confident186 Ų18644.8 Ų44.870%0.70223%0.225SC*.  trans52.946.9179-57.3-179.5-178.9-165.2-1.9112.8R62 E63R16-R62 HydrophobicContact CB-CB 4.39Å; R16-R62 WeakPolarHBondContact O-CB 3.41Å; R16-E63 IonicContact NE-OE2 3.93Å
17E88.8Confident85.3Confident25 Ų2542.7 Ų42.712%0.11721%0.213CC..  trans-52140.1178.8-7579.2176.200112.2N12 A13 S14 K15 F19 T58 A59 G60N12-E17 VanDerWaalsContact C-CD 3.45Å; N12-E17 VanDerWaalsContact CB-OE1 3.25Å; N12-E17 WeakPolarHBondContact CB-OE1 3.25Å; N12-E17 VanDerWaalsContact CG-OE1 3.25Å; N12-E17 PolarHBondContact ND2-OE1 2.64Å; N12-E17 WeakPolarHBondContact O-CG 3.39Å; A13-E17 WeakPolarHBondContact CA-OE2 3.5Å; A13-E17 PolarHBondContact N-OE2 3.12Å; S14-E17 PolarHBondContact N-OE2 3.18Å; K15-E17 VanDerWaalsContact C-N 3.3Å; K15-E17 PolarHBondContact N-OE2 3.25Å; K15-E17 PolarHBondContact O-N 3.33Å; E17-F19 VanDerWaalsContact C-N 3.31Å; E17-F19 WeakPolarHBondContact CB-O 3.34Å; E17-F19 PolarHBondContact O-N 3.32Å; E17-T58 PolarHBondContact OE1-OG1 3.16Å; E17-A59 WeakPolarHBondContact CB-O 3.07Å; E17-G60 WeakPolarHBondContact CA-O 3.32Å
18L88.4Confident86Confident32 Ų3241.1 Ų41.117%0.16820%0.202CC..SBendtrans-62.4-41.6177.2174.361.3000111.6N23 A59 G60 Y95L18-N23 PolarHBondContact O-ND2 3.33Å; L18-A59 PolarHBondContact N-O 2.81Å; L18-A59 VanDerWaalsContact N-O 3.16Å; L18-G60 PolarHBondContact N-O 3.31Å; L18-Y95 HydrophobicContact CB-CE1 4.43Å; L18-Y95 HydrophobicContact CD2-CE1 4.36Å
19F88.7Confident86.1Confident15 Ų1539.5 Ų39.57%0.06620%0.195CC..SBendtrans-119.1144.2177.1-62.5-62.5000110.5E17 Y25 A59 C216 H217 C220E17-F19 VanDerWaalsContact C-N 3.31Å; E17-F19 WeakPolarHBondContact CB-O 3.34Å; E17-F19 PolarHBondContact O-N 3.32Å; F19-Y25 HydrophobicContact CB-CD2 3.78Å; F19-Y25 HydrophobicContact CB-CE1 4.3Å; F19-Y25 HydrophobicContact CB-CE2 3.32Å; F19-Y25 HydrophobicContact CB-CG 4.45Å; F19-Y25 HydrophobicContact CD2-CE1 4.46Å; F19-Y25 AromaticContact CD2-CZ 3.99Å; F19-Y25 HydrophobicContact CG-CE1 4.39Å; F19-Y25 HydrophobicContact CG-CE2 4.21Å; F19-Y25 AromaticContact CG-CZ 3.99Å; F19-A59 HydrophobicContact CB-CB 4.04Å; F19-A59 PolarHBondContact N-O 3.4Å; F19-C216 HydrophobicContact CD2-CB 3.92Å; F19-C216 HydrophobicContact CE2-CB 4.2Å; F19-H217 AromaticContact CE2-CE1 3.9Å; F19-H217 AromaticContact CE2-ND1 3.82Å; F19-H217 AromaticContact CZ-CE1 3.64Å; F19-H217 AromaticContact CZ-ND1 3.56Å; F19-C220 HydrophobicContact CE1-CB 4.42Å; F19-C220 HydrophobicContact CZ-CB 4.15Å
20G83.1Confident85.9Confident13 Ų1347.4 Ų47.413%0.13423%0.229CC..BIsolated β-bridgetrans-157.8-167.4-178.200000111.1N22 N23G20-N22 PolarHBondContact O-N 3.2Å; G20-N23 PolarHBondContact N-O 3.09Å; G20-N23 CarbonylContact O-C 3.57Å; G20-N23 PolarHBondContact O-N 3.2Å; G20-N23 VanDerWaalsContact O-N 3.12Å
21I79.9Confident85.6Confident28 Ų2852.8 Ų52.814%0.14425%0.249CC..THydrogen-bonded Turntrans-61.7-31.1-177.3-75.6156.2000112.5F11 Q29 I38 Q39 S40F11-I21 HydrophobicContact CB-CD1 3.71Å; F11-I21 HydrophobicContact CB-CG1 3.77Å; F11-I21 HydrophobicContact CD2-CD1 4.04Å; F11-I21 HydrophobicContact CD2-CG1 3.85Å; F11-I21 HydrophobicContact CG-CD1 4.15Å; F11-I21 HydrophobicContact CG-CG1 3.84Å; I21-Q29 VanDerWaalsContact C-NE2 3.32Å; I21-Q29 VanDerWaalsContact CA-NE2 3.29Å; I21-Q29 PolarHBondContact O-NE2 2.82Å; I21-Q29 PolarHBondContact O-OE1 2.88Å; I21-I38 HydrophobicContact CD1-CG2 3.7Å; I21-I38 HydrophobicContact CG1-CG2 3.96Å; I21-Q39 VanDerWaalsContact CD1-C 3.46Å; I21-Q39 WeakPolarHBondContact CD1-O 3.2Å; I21-S40 VanDerWaalsContact CD1-CB 3.42Å
22N80Confident85.3Confident142 Ų14253 Ų5376%0.75925%0.251SS*.THydrogen-bonded Turntrans-90.8-11.6-179.3-63.2-26.7000113.4G20G20-N22 PolarHBondContact O-N 3.2Å
23N80.8Confident85Confident98 Ų9860.3 Ų60.352%0.52428%0.278SS..BIsolated β-bridgetrans-141.6117.5-168-165.928.3000112.7L18 G20 Y25L18-N23 PolarHBondContact O-ND2 3.33Å; G20-N23 PolarHBondContact N-O 3.09Å; G20-N23 CarbonylContact O-C 3.57Å; G20-N23 PolarHBondContact O-N 3.2Å; G20-N23 VanDerWaalsContact O-N 3.12Å; N23-Y25 PolarHBondContact O-N 3.04Å
24G77.9Confident84.7Confident9 Ų962.7 Ų62.79%0.09330%0.298CS..BIsolated β-bridgetrans84.9-15.2166.600000118C220 D221G24-C220 CarbonylContact O-C 3.51Å; G24-C220 VanDerWaalsContact O-CA 3.31Å; G24-C220 WeakPolarHBondContact O-CA 3.3Å; G24-D221 PolarHBondContact O-N 3.22Å
25Y86.8Confident84.3Confident0 Ų069.2 Ų69.20%033%0.326CS..  trans-119.537.8-176.2-67.5-34.9000114.5F11 F19 N23 Y27 M28 Q29 A59 M86 C216 F219F11-Y25 HydrophobicContact CD1-CD2 4.43Å; F11-Y25 AromaticContact CE1-CD2 3.94Å; F11-Y25 HydrophobicContact CE1-CD2 3.94Å; F19-Y25 HydrophobicContact CB-CD2 3.78Å; F19-Y25 HydrophobicContact CB-CE1 4.3Å; F19-Y25 HydrophobicContact CB-CE2 3.32Å; F19-Y25 HydrophobicContact CB-CG 4.45Å; F19-Y25 HydrophobicContact CD2-CE1 4.46Å; F19-Y25 AromaticContact CD2-CZ 3.99Å; F19-Y25 HydrophobicContact CG-CE1 4.39Å; F19-Y25 HydrophobicContact CG-CE2 4.21Å; F19-Y25 AromaticContact CG-CZ 3.99Å; N23-Y25 PolarHBondContact O-N 3.04Å; Y25-Y27 VanDerWaalsContact C-N 3.3Å; Y25-Y27 PolarHBondContact O-N 3.4Å; Y25-M28 HydrophobicContact CG-SD 4.41Å; Y25-Q29 WeakPolarHBondContact O-CB 3.4Å; Y25-Q29 WeakPolarHBondContact O-CG 3.31Å; Y25-Q29 PolarHBondContact O-N 2.8Å; Y25-Q29 PolarHBondContact O-NE2 2.88Å; Y25-Q29 VanDerWaalsContact O-NE2 3.13Å; Y25-A59 HydrophobicContact CE2-CB 3.47Å; Y25-A59 VanDerWaalsContact CE2-CB 3.47Å; Y25-M86 HydrophobicContact CE2-CE 3.87Å; Y25-M86 WeakPolarHBondContact OH-CE 3.47Å; Y25-C216 PolarHBondContact OH-O 2.96Å; Y25-F219 WeakPolarHBondContact CD1-O 3.48Å; Y25-F219 HydrophobicContact CE1-CB 3.98Å; Y25-F219 WeakPolarHBondContact CE1-O 3.25Å
26K85.4Confident84.1Confident143 Ų14370.8 Ų70.862%0.62233%0.332SS*.Hα-helixtrans-63.5-39.1179.7-66176.4-179173.50111.4K30 D221K26-K30 WeakPolarHBondContact O-CB 3.47Å; K26-K30 PolarHBondContact O-N 2.95Å; K26-D221 WeakPolarHBondContact CB-OD2 3.45Å; K26-D221 WeakPolarHBondContact CG-OD2 3.29Å; K26-D221 PolarHBondContact N-OD1 3.3Å; K26-D221 PolarHBondContact N-OD2 3.32Å; K26-D221 VanDerWaalsContact N-OD2 3.14Å
27Y85Confident84.1Confident55 Ų5567.2 Ų67.222%0.21632%0.321CS..Hα-helixtrans-66.9-50.2179.2-173.9-90.7000112Y25 Q29 K30 R31 D221 T224 M233Y25-Y27 VanDerWaalsContact C-N 3.3Å; Y25-Y27 PolarHBondContact O-N 3.4Å; Y27-Q29 VanDerWaalsContact C-N 3.27Å; Y27-Q29 PolarHBondContact O-N 3.41Å; Y27-K30 WeakPolarHBondContact O-CB 3.04Å; Y27-K30 PolarHBondContact O-N 2.87Å; Y27-K30 VanDerWaalsContact O-N 3.11Å; Y27-R31 HydrophobicContact CD1-CG 4.22Å; Y27-R31 HydrophobicContact CE1-CG 3.89Å; Y27-R31 PolarHBondContact O-N 2.87Å; Y27-R31 PolarHBondContact OH-NE 2.81Å; Y27-R31 PolarHBondContact OH-NH2 2.82Å; Y27-D221 PolarHBondContact N-OD1 3.45Å; Y27-T224 HydrophobicContact CD1-CG2 3.39Å; Y27-T224 HydrophobicContact CE1-CG2 3.66Å; Y27-T224 HydrophobicContact CG-CG2 4.09Å; Y27-M233 HydrophobicContact CD1-CE 3.74Å; Y27-M233 HydrophobicContact CD1-SD 4.43Å; Y27-M233 HydrophobicContact CE1-CE 3.59Å
28M85.5Confident84Confident0 Ų067.5 Ų67.50%032%0.323CS..Hα-helixtrans-57.2-42.1176.3-172.7-173.9-171.700111.1F11 Y25 R31 L32 I57 L84 M233 L237F11-M28 HydrophobicContact CE1-SD 4.14Å; F11-M28 HydrophobicContact CZ-CE 4.45Å; F11-M28 HydrophobicContact CZ-SD 4.06Å; Y25-M28 HydrophobicContact CG-SD 4.41Å; M28-R31 PolarHBondContact O-N 2.94Å; M28-L32 HydrophobicContact CE-CD1 4.23Å; M28-L32 HydrophobicContact CG-CD1 4.05Å; M28-L32 WeakPolarHBondContact O-CB 3.3Å; M28-L32 VanDerWaalsContact O-CG 3.31Å; M28-L32 WeakPolarHBondContact O-CG 3.39Å; M28-L32 PolarHBondContact O-N 2.98Å; M28-I57 HydrophobicContact CE-CD1 3.79Å; M28-L84 HydrophobicContact CE-CD2 3.98Å; M28-M233 HydrophobicContact CB-SD 3.87Å; M28-M233 HydrophobicContact CG-SD 3.89Å; M28-L237 HydrophobicContact CE-CD1 4.35Å; M28-L237 HydrophobicContact CE-CD2 3.81Å; M28-L237 HydrophobicContact CE-CG 4.46Å; M28-L237 HydrophobicContact CG-CD1 4.48Å
29Q86.3Confident83.9Confident10 Ų1070.6 Ų70.65%0.04734%0.337CS..Hα-helixtrans-64.1-43.3174.9-74.917053.200113.1I21 Y25 Y27 R31 L32 R33 I38I21-Q29 VanDerWaalsContact C-NE2 3.32Å; I21-Q29 VanDerWaalsContact CA-NE2 3.29Å; I21-Q29 PolarHBondContact O-NE2 2.82Å; I21-Q29 PolarHBondContact O-OE1 2.88Å; Y25-Q29 WeakPolarHBondContact O-CB 3.4Å; Y25-Q29 WeakPolarHBondContact O-CG 3.31Å; Y25-Q29 PolarHBondContact O-N 2.8Å; Y25-Q29 PolarHBondContact O-NE2 2.88Å; Y25-Q29 VanDerWaalsContact O-NE2 3.13Å; Y27-Q29 VanDerWaalsContact C-N 3.27Å; Y27-Q29 PolarHBondContact O-N 3.41Å; Q29-R31 VanDerWaalsContact C-N 3.27Å; Q29-R31 PolarHBondContact O-N 2.98Å; Q29-L32 PolarHBondContact O-N 2.92Å; Q29-R33 VanDerWaalsContact O-CB 3.29Å; Q29-R33 WeakPolarHBondContact O-CB 3.34Å; Q29-R33 VanDerWaalsContact O-CG 3.25Å; Q29-R33 WeakPolarHBondContact O-CG 3.42Å; Q29-R33 PolarHBondContact O-N 3.46Å; Q29-I38 HydrophobicContact CB-CD1 3.96Å; Q29-I38 HydrophobicContact CG-CD1 3.97Å
30K86.3Confident83.9Confident166 Ų16672.3 Ų72.372%0.72235%0.351SS*.Hα-helixtrans-59.3-42.2178.6-175.9-178.3177.4-176.10110.9K26 Y27K26-K30 WeakPolarHBondContact O-CB 3.47Å; K26-K30 PolarHBondContact O-N 2.95Å; Y27-K30 WeakPolarHBondContact O-CB 3.04Å; Y27-K30 PolarHBondContact O-N 2.87Å; Y27-K30 VanDerWaalsContact O-N 3.11Å
31R82Confident84Confident115 Ų11572.5 Ų72.543%0.43435%0.349SS..Hα-helixtrans-63.4-49.6175.1-73.3-83.9-179.2153.2-5.5111.7Y27 M28 Q29 A34 M233 D234Y27-R31 HydrophobicContact CD1-CG 4.22Å; Y27-R31 HydrophobicContact CE1-CG 3.89Å; Y27-R31 PolarHBondContact O-N 2.87Å; Y27-R31 PolarHBondContact OH-NE 2.81Å; Y27-R31 PolarHBondContact OH-NH2 2.82Å; M28-R31 PolarHBondContact O-N 2.94Å; Q29-R31 VanDerWaalsContact C-N 3.27Å; Q29-R31 PolarHBondContact O-N 2.98Å; R31-A34 WeakPolarHBondContact O-CB 3.31Å; R31-A34 PolarHBondContact O-N 2.99Å; R31-M233 HydrophobicContact CG-CE 4.24Å; R31-D234 IonicContact CZ-OD2 3.18Å; R31-D234 IonicContact NH1-OD1 3.16Å; R31-D234 IonicContact NH1-OD2 3.94Å; R31-D234 PolarHBondContact NH1-OD2 3.43Å; R31-D234 VanDerWaalsContact NH1-OD2 3.16Å
32L84.4Confident84.2Confident8 Ų878.6 Ų78.64%0.04237%0.374CS..Hα-helixtrans-67.9-35.9-178.6-71.9177000113.2I9 F11 M28 Q29 A34 Q35 W36 I38 I57 L237I9-L32 HydrophobicContact CD1-CB 4.18Å; I9-L32 HydrophobicContact CD1-CD1 4.03Å; I9-L32 HydrophobicContact CD1-CD2 3.6Å; I9-L32 HydrophobicContact CD1-CG 4.14Å; I9-L32 HydrophobicContact CG2-CD1 4.4Å; F11-L32 HydrophobicContact CE2-CD1 4.19Å; F11-L32 HydrophobicContact CZ-CD1 4.09Å; M28-L32 HydrophobicContact CE-CD1 4.23Å; M28-L32 HydrophobicContact CG-CD1 4.05Å; M28-L32 WeakPolarHBondContact O-CB 3.3Å; M28-L32 VanDerWaalsContact O-CG 3.31Å; M28-L32 WeakPolarHBondContact O-CG 3.39Å; M28-L32 PolarHBondContact O-N 2.98Å; Q29-L32 PolarHBondContact O-N 2.92Å; L32-A34 PolarHBondContact O-N 2.92Å; L32-Q35 PolarHBondContact O-N 3.41Å; L32-W36 PolarHBondContact O-N 3.33Å; L32-I38 HydrophobicContact CB-CD1 3.74Å; L32-I38 HydrophobicContact CB-CG1 4.34Å; L32-I57 HydrophobicContact CD1-CD1 4.42Å; L32-L237 HydrophobicContact CD2-CD1 3.89Å; L32-L237 HydrophobicContact CD2-CD2 4.12Å; L32-L237 HydrophobicContact CG-CD1 4.27Å
33R84.4Confident84.3Confident154 Ų15478 Ų7858%0.58137%0.367SS*.Hα-helixtrans-64.4-18.3177.1-77.9-177.4-169.81746.9113.8Q29 Q35 W36 I38Q29-R33 VanDerWaalsContact O-CB 3.29Å; Q29-R33 WeakPolarHBondContact O-CB 3.34Å; Q29-R33 VanDerWaalsContact O-CG 3.25Å; Q29-R33 WeakPolarHBondContact O-CG 3.42Å; Q29-R33 PolarHBondContact O-N 3.46Å; R33-Q35 PolarHBondContact O-N 2.82Å; R33-W36 WeakPolarHBondContact CA-O 3.42Å; R33-I38 HydrophobicContact CG-CD1 3.63Å; R33-I38 HydrophobicContact CG-CG1 4.04Å
34A81.6Confident84.1Confident83 Ų8380.4 Ų80.469%0.68638%0.375SS*.THydrogen-bonded Turntrans-65.4-28.4176.300000112.3R31 L32R31-A34 WeakPolarHBondContact O-CB 3.31Å; R31-A34 PolarHBondContact O-N 2.99Å; L32-A34 PolarHBondContact O-N 2.92Å
35Q79.3Confident84.4Confident156 Ų15680.5 Ų80.573%0.72937%0.373SS*.THydrogen-bonded Turntrans-125.8-21.9-174.4-66.7179.4-5.100113.6L32 R33L32-Q35 PolarHBondContact O-N 3.41Å; R33-Q35 PolarHBondContact O-N 2.82Å
36W84.3Confident84.2Confident49 Ų4982.5 Ų82.519%0.18639%0.387CS..SBendtrans-135.4152.8-169.5-50.595.9000112.5S7 I9 L32 R33 K54 M241S7-W36 VanDerWaalsContact OG-CZ3 3.31Å; S7-W36 WeakPolarHBondContact OG-CZ3 3.08Å; I9-W36 HydrophobicContact CD1-CB 3.62Å; I9-W36 HydrophobicContact CD1-CG 3.7Å; I9-W36 HydrophobicContact CG1-CB 3.9Å; I9-W36 HydrophobicContact CG1-CG 4.21Å; L32-W36 PolarHBondContact O-N 3.33Å; R33-W36 WeakPolarHBondContact CA-O 3.42Å; W36-K54 HydrophobicContact CE3-CD 4.5Å; W36-K54 HydrophobicContact CH2-CD 3.64Å; W36-K54 VanDerWaalsContact CH2-NZ 3.29Å; W36-K54 HydrophobicContact CZ2-CD 4.26Å; W36-K54 HydrophobicContact CZ3-CD 3.79Å; W36-M241 HydrophobicContact CD2-CE 3.46Å; W36-M241 VanDerWaalsContact CD2-CE 3.46Å; W36-M241 HydrophobicContact CE3-CE 4.02Å; W36-M241 HydrophobicContact CG-CE 3.93Å; W36-M241 HydrophobicContact CH2-CE 4.06Å; W36-M241 HydrophobicContact CZ2-CE 3.48Å; W36-M241 VanDerWaalsContact CZ2-CE 3.48Å; W36-M241 HydrophobicContact CZ3-CE 4.31Å
37K86.5Confident84Confident111 Ų11179.3 Ų79.348%0.48338%0.38SS..EExtended strand (participates in β ladder)trans-86.4128.3171.5-70.5-177.3-175.8177.30109.8Q6 F8 I9Q6-K37 VanDerWaalsContact CD-NZ 3.31Å; F8-K37 WeakPolarHBondContact CA-O 3.11Å; F8-K37 HydrophobicContact CD1-CB 3.62Å; F8-K37 HydrophobicContact CD1-CD 4.4Å; F8-K37 HydrophobicContact CE1-CB 3.81Å; F8-K37 HydrophobicContact CE1-CD 3.71Å; F8-K37 HydrophobicContact CE1-CG 4.41Å; F8-K37 HydrophobicContact CZ-CD 4.44Å; I9-K37 PolarHBondContact N-O 3.16Å
38I87.2Confident83.8Confident31 Ų3184 Ų8416%0.15940%0.403CS..EExtended strand (participates in β ladder)trans-100.4131.5-178.7-55.6-178.4000110I9 F11 I21 Q29 L32 R33I9-I38 WeakPolarHBondContact O-CA 3.48Å; F11-I38 HydrophobicContact CD2-CG2 3.57Å; F11-I38 HydrophobicContact CE2-CD1 4.4Å; F11-I38 HydrophobicContact CE2-CG2 3.74Å; I21-I38 HydrophobicContact CD1-CG2 3.7Å; I21-I38 HydrophobicContact CG1-CG2 3.96Å; Q29-I38 HydrophobicContact CB-CD1 3.96Å; Q29-I38 HydrophobicContact CG-CD1 3.97Å; L32-I38 HydrophobicContact CB-CD1 3.74Å; L32-I38 HydrophobicContact CB-CG1 4.34Å; R33-I38 HydrophobicContact CG-CD1 3.63Å; R33-I38 HydrophobicContact CG-CG1 4.04Å
39Q87.4Confident83.5Confident96 Ų9687.5 Ų87.545%0.44942%0.418SS..EExtended strand (participates in β ladder)trans-127.5153.4173.6-67.5-173200111.6F8 I9 I10 F11 I21F8-Q39 HydrophobicContact CD1-CG 4.26Å; I9-Q39 PolarHBondContact O-N 3.48Å; I10-Q39 WeakPolarHBondContact CA-O 3.38Å; F11-Q39 PolarHBondContact N-O 3.48Å; I21-Q39 VanDerWaalsContact CD1-C 3.46Å; I21-Q39 WeakPolarHBondContact CD1-O 3.2Å
40S87.4Confident83.3Confident52 Ų5287.4 Ų87.436%0.36442%0.418SS..EExtended strand (participates in β ladder)trans-109.9129.6174.3-1600000109.6F11 A13 I21F11-S40 WeakPolarHBondContact O-CA 3.44Å; A13-S40 WeakPolarHBondContact CB-OG 3.39Å; I21-S40 VanDerWaalsContact CD1-CB 3.42Å
41I86.1Confident83Confident16 Ų1686.6 Ų86.68%0.08242%0.415CS..EExtended strand (participates in β ladder)trans-100.6119.3170.4-70-174.1000108.8I10 F11 A13 S14 E43 K49I10-I41 HydrophobicContact CD1-CD1 3.48Å; I10-I41 VanDerWaalsContact CD1-CD1 3.48Å; I10-I41 HydrophobicContact CD1-CG1 3.97Å; I10-I41 HydrophobicContact CG2-CB 4.13Å; I10-I41 HydrophobicContact CG2-CD1 3.78Å; I10-I41 HydrophobicContact CG2-CG1 3.7Å; F11-I41 PolarHBondContact O-N 3.07Å; A13-I41 CarbonylContact C-O 3.59Å; A13-I41 VanDerWaalsContact CA-O 3.31Å; A13-I41 WeakPolarHBondContact CA-O 3.26Å; A13-I41 WeakPolarHBondContact CB-O 3.31Å; A13-I41 PolarHBondContact N-O 2.83Å; S14-I41 PolarHBondContact N-O 3.33Å; I41-E43 WeakPolarHBondContact CG2-O 3.42Å; I41-K49 HydrophobicContact CD1-CB 3.97Å; I41-K49 HydrophobicContact CD1-CD 4.37Å
42K83.4Confident82.9Confident157 Ų15783.9 Ų83.968%0.68342%0.422SS*.  trans-102.3-17173.3-66.2-177178.8-178.60113.6A13A13-K42 HydrophobicContact CB-CG 4.06Å
43E81.7Confident83Confident130 Ų13084.1 Ų84.161%0.60742%0.424SS*.SBendtrans-92.7171.8-177.7-67.6172.4-166.200110.5S14 I41 K49S14-E43 VanDerWaalsContact CB-O 3.3Å; S14-E43 WeakPolarHBondContact CB-O 3.46Å; I41-E43 WeakPolarHBondContact CG2-O 3.42Å; E43-K49 IonicContact OE2-NZ 2.64Å; E43-K49 PolarHBondContact OE2-NZ 3.06Å
44E77.8Confident83.2Confident147 Ų14779.8 Ų79.869%0.68741%0.41SS*.PPolyproline II helixtrans-56.8145.2176.2-68.1-179.3172.400112.2
45L84Confident83.6Confident12 Ų1275.9 Ų75.96%0.06338%0.377CS..PPolyproline II helixtrans-71.8127.1-179.5-74154.2000109.8L50 W56 F65 E69 L73L45-L50 HydrophobicContact CD2-CD1 4.46Å; L45-L50 HydrophobicContact CD2-CD2 4.34Å; L45-W56 HydrophobicContact CD1-CZ2 4.15Å; L45-F65 HydrophobicContact CD1-CD1 4.33Å; L45-F65 HydrophobicContact CD1-CE1 4.06Å; L45-E69 HydrophobicContact CB-CG 4.19Å; L45-E69 HydrophobicContact CD1-CB 4.49Å; L45-L73 HydrophobicContact CD1-CD1 4.44Å; L45-L73 HydrophobicContact CD1-CD2 4.42Å
46S81.9Confident84.3Confident41 Ų4168.4 Ų68.429%0.28734%0.342SS..  trans-132.9151.8174.371.20000110.7E48 K49 L50S46-E48 PolarHBondContact O-N 3.27Å; S46-K49 PolarHBondContact O-N 3.44Å; S46-K49 VanDerWaalsContact O-N 3.12Å; S46-L50 PolarHBondContact O-N 2.8Å
47V80.8Confident84.7Confident77 Ų7766.1 Ų66.147%0.46733%0.334SS..Hα-helixtrans-55.3-37.7-180-174.90000111.2K49 L50 K51 V72V47-K49 PolarHBondContact O-N 3.19Å; V47-L50 PolarHBondContact O-N 3.07Å; V47-K51 WeakPolarHBondContact O-CG 3.43Å; V47-K51 PolarHBondContact O-N 2.66Å; V47-V72 HydrophobicContact CG2-CB 4.46Å; V47-V72 HydrophobicContact CG2-CG1 4.1Å; V47-V72 HydrophobicContact CG2-CG2 3.8Å
48E80.6Confident85Confident152 Ų15260.8 Ų60.871%0.7131%0.311SS*.Hα-helixtrans-64.8-37.1-178.6-61.3-174.616700113.1S46 L50 K51S46-E48 PolarHBondContact O-N 3.27Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-K51 PolarHBondContact O-N 3.12Å
49K80.9Confident85.3Confident74 Ų7459.4 Ų59.432%0.32230%0.304SS..Hα-helixtrans-74.5-24.4178.3-71.7177.5178.7168.80112.8I41 E43 S46 V47 V53I41-K49 HydrophobicContact CD1-CB 3.97Å; I41-K49 HydrophobicContact CD1-CD 4.37Å; E43-K49 IonicContact OE2-NZ 2.64Å; E43-K49 PolarHBondContact OE2-NZ 3.06Å; S46-K49 PolarHBondContact O-N 3.44Å; S46-K49 VanDerWaalsContact O-N 3.12Å; V47-K49 PolarHBondContact O-N 3.19Å; K49-V53 WeakPolarHBondContact O-CG2 3.17Å
50L81.5Confident85.5Confident8 Ų854.9 Ų54.94%0.04228%0.282CS..Hα-helixtrans-87.1-8.7176.7-66174.8000112.9L45 S46 V47 E48 G52 V53 W56 V72 L73 Y76L45-L50 HydrophobicContact CD2-CD1 4.46Å; L45-L50 HydrophobicContact CD2-CD2 4.34Å; S46-L50 PolarHBondContact O-N 2.8Å; V47-L50 PolarHBondContact O-N 3.07Å; E48-L50 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 3.32Å; L50-V53 WeakPolarHBondContact O-CB 3.38Å; L50-V53 PolarHBondContact O-N 3.33Å; L50-W56 HydrophobicContact CD2-CG 4.5Å; L50-V72 HydrophobicContact CD1-CG1 3.62Å; L50-L73 HydrophobicContact CD1-CD2 4.27Å; L50-Y76 HydrophobicContact CB-CD2 3.82Å; L50-Y76 HydrophobicContact CB-CE2 4.25Å; L50-Y76 HydrophobicContact CB-CG 4.41Å; L50-Y76 HydrophobicContact CD1-CD2 4.4Å; L50-Y76 HydrophobicContact CD1-CG 4.16Å
51K80.6Confident85.8Confident149 Ų14952.4 Ų52.465%0.64827%0.265SS*.THydrogen-bonded Turntrans-65.5125.2174.9-77.7177.4-177.2175.30111V47 E48 V53V47-K51 WeakPolarHBondContact O-CG 3.43Å; V47-K51 PolarHBondContact O-N 2.66Å; E48-K51 PolarHBondContact O-N 3.12Å; K51-V53 VanDerWaalsContact C-N 3.28Å
52G78.8Confident86.1Confident58 Ų5857.5 Ų57.560%0.59828%0.283SS*.THydrogen-bonded Turntrans80.16.7-179.500000114.5F8 L50F8-G52 PolarHBondContact N-O 2.72Å; L50-G52 PolarHBondContact O-N 3.32Å
53V86.6Confident86.5Confident13 Ų1353.9 Ų53.98%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-87.4125.4174.3-179.50000108.9I10 K49 L50 K51 L55 Y76I10-V53 HydrophobicContact CB-CG1 4.08Å; I10-V53 HydrophobicContact CD1-CB 4.28Å; I10-V53 HydrophobicContact CD1-CG1 4Å; I10-V53 HydrophobicContact CD1-CG2 3.29Å; I10-V53 HydrophobicContact CG1-CB 4.42Å; I10-V53 HydrophobicContact CG1-CG1 3.69Å; I10-V53 HydrophobicContact CG1-CG2 3.81Å; K49-V53 WeakPolarHBondContact O-CG2 3.17Å; L50-V53 WeakPolarHBondContact O-CB 3.38Å; L50-V53 PolarHBondContact O-N 3.33Å; K51-V53 VanDerWaalsContact C-N 3.28Å; V53-L55 WeakPolarHBondContact CG1-O 3.5Å; V53-Y76 HydrophobicContact CB-CE2 4.29Å; V53-Y76 WeakPolarHBondContact O-CE2 3.25Å; V53-Y76 PolarHBondContact O-OH 2.97Å
54K88Confident87Confident64 Ų6453 Ų5328%0.27826%0.263SS..EExtended strand (participates in β ladder)trans-86.9-32.5-179.7-173.2166.9176.3-179.90112.8F8 W36 N82 M241F8-K54 PolarHBondContact O-N 2.87Å; W36-K54 HydrophobicContact CE3-CD 4.5Å; W36-K54 HydrophobicContact CH2-CD 3.64Å; W36-K54 VanDerWaalsContact CH2-NZ 3.29Å; W36-K54 HydrophobicContact CZ2-CD 4.26Å; W36-K54 HydrophobicContact CZ3-CD 3.79Å; K54-N82 VanDerWaalsContact O-CB 3.32Å; K54-N82 WeakPolarHBondContact O-CB 3.35Å; K54-N82 PolarHBondContact O-N 2.68Å; K54-N82 PolarHBondContact O-ND2 3.47Å; K54-M241 HydrophobicContact CB-CE 4.31Å; K54-M241 HydrophobicContact CD-CE 3.67Å; K54-M241 HydrophobicContact CD-SD 4.24Å; K54-M241 VanDerWaalsContact CE-O 3.3Å; K54-M241 WeakPolarHBondContact CE-O 3.36Å; K54-M241 HydrophobicContact CG-CE 3.93Å; K54-M241 HydrophobicContact CG-SD 4.04Å; K54-M241 PolarHBondContact NZ-O 2.98Å
55L91.1Very high87.8Confident0 Ų046.2 Ų46.20%023%0.231CC..EExtended strand (participates in β ladder)trans-142.6126.9-179.7176.162.4000110.7I9 I10 V53 I57 N82 L84 L237 L240 M241I9-L55 WeakPolarHBondContact CA-O 3.29Å; I9-L55 HydrophobicContact CG1-CB 4.3Å; I9-L55 HydrophobicContact CG2-CB 4.27Å; I9-L55 HydrophobicContact CG2-CD2 4.3Å; I9-L55 HydrophobicContact CG2-CG 4.34Å; I10-L55 PolarHBondContact N-O 3.13Å; V53-L55 WeakPolarHBondContact CG1-O 3.5Å; L55-I57 HydrophobicContact CD1-CG1 4.34Å; L55-I57 HydrophobicContact CD2-CD1 3.79Å; L55-I57 HydrophobicContact CD2-CG1 3.96Å; L55-I57 HydrophobicContact CG-CD1 4.15Å; L55-I57 HydrophobicContact CG-CG1 3.77Å; L55-N82 CarbonylContact C-O 3.36Å; L55-N82 WeakPolarHBondContact CA-O 3.41Å; L55-N82 HydrophobicContact CD1-CB 4.02Å; L55-L84 HydrophobicContact CD1-CB 4.21Å; L55-L237 HydrophobicContact CD2-CD2 4.11Å; L55-L240 HydrophobicContact CD1-CB 4.39Å; L55-L240 HydrophobicContact CD1-CD1 3.89Å; L55-L240 HydrophobicContact CD1-CD2 4.48Å; L55-L240 HydrophobicContact CD1-CG 4.49Å; L55-L240 HydrophobicContact CD2-CD1 4.42Å; L55-M241 HydrophobicContact CB-SD 3.74Å; L55-M241 HydrophobicContact CD2-SD 4Å; L55-M241 HydrophobicContact CG-SD 4.46Å
56W93.2Very high88.2Confident0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-104.8131.3169.4179.485.3000110.2N12 L45 L50 T58 F65 L73 Y76 N82 M83 L84 V85N12-W56 HydrophobicContact CB-CZ2 3.87Å; L45-W56 HydrophobicContact CD1-CZ2 4.15Å; L50-W56 HydrophobicContact CD2-CG 4.5Å; W56-T58 HydrophobicContact CH2-CG2 3.46Å; W56-T58 VanDerWaalsContact CH2-CG2 3.46Å; W56-T58 HydrophobicContact CZ2-CG2 4.32Å; W56-T58 HydrophobicContact CZ3-CG2 3.57Å; W56-F65 HydrophobicContact CH2-CE1 4.42Å; W56-F65 HydrophobicContact CH2-CZ 4.43Å; W56-F65 HydrophobicContact CZ2-CE1 4.43Å; W56-L73 HydrophobicContact CD2-CD2 4.05Å; W56-L73 HydrophobicContact CE3-CD2 4.22Å; W56-L73 HydrophobicContact CH2-CD1 3.84Å; W56-L73 HydrophobicContact CH2-CD2 4.22Å; W56-L73 HydrophobicContact CZ2-CD1 4.23Å; W56-L73 HydrophobicContact CZ2-CD2 4.1Å; W56-L73 HydrophobicContact CZ3-CD1 4.25Å; W56-L73 HydrophobicContact CZ3-CD2 4.29Å; W56-Y76 HydrophobicContact CB-CE1 3.97Å; W56-N82 PolarHBondContact N-O 3.18Å; W56-M83 HydrophobicContact CB-CG 4.46Å; W56-M83 HydrophobicContact CE3-CB 4.35Å; W56-M83 HydrophobicContact CE3-CE 3.48Å; W56-M83 VanDerWaalsContact CE3-CE 3.48Å; W56-M83 HydrophobicContact CE3-CG 4.13Å; W56-M83 HydrophobicContact CH2-CE 4.39Å; W56-M83 HydrophobicContact CZ3-CE 3.4Å; W56-M83 CarbonylContact O-C 3.4Å; W56-M83 WeakPolarHBondContact O-CA 3.14Å; W56-L84 PolarHBondContact O-N 2.86Å; W56-V85 HydrophobicContact CZ3-CG2 4.08Å
57I93.6Very high88.6Confident0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-124.9127.8-175.8-51.3179.9000109.2I9 I10 F11 N12 M28 L32 L55 L84 M86I9-I57 HydrophobicContact CG2-CD1 3.82Å; I9-I57 HydrophobicContact CG2-CG1 4.3Å; I10-I57 PolarHBondContact O-N 2.9Å; F11-I57 HydrophobicContact CD1-CB 4.23Å; F11-I57 HydrophobicContact CD1-CG2 4.17Å; F11-I57 HydrophobicContact CE1-CB 4.39Å; F11-I57 HydrophobicContact CE1-CD1 3.98Å; F11-I57 HydrophobicContact CE1-CG2 4.11Å; F11-I57 HydrophobicContact CE2-CD1 3.99Å; F11-I57 HydrophobicContact CZ-CD1 3.69Å; N12-I57 PolarHBondContact N-O 3.37Å; M28-I57 HydrophobicContact CE-CD1 3.79Å; L32-I57 HydrophobicContact CD1-CD1 4.42Å; L55-I57 HydrophobicContact CD1-CG1 4.34Å; L55-I57 HydrophobicContact CD2-CD1 3.79Å; L55-I57 HydrophobicContact CD2-CG1 3.96Å; L55-I57 HydrophobicContact CG-CD1 4.15Å; L55-I57 HydrophobicContact CG-CG1 3.77Å; I57-L84 WeakPolarHBondContact CA-O 3.46Å; I57-L84 HydrophobicContact CG1-CB 4.22Å; I57-L84 HydrophobicContact CG2-CB 4.35Å; I57-L84 HydrophobicContact CG2-CD2 4.15Å; I57-L84 HydrophobicContact CG2-CG 4.35Å; I57-M86 HydrophobicContact CG2-CE 3.8Å
58T93.1Very high89.1Confident0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-121.8135166.8-173.60000110.1E17 W56 L84 V85 M86E17-T58 PolarHBondContact OE1-OG1 3.16Å; W56-T58 HydrophobicContact CH2-CG2 3.46Å; W56-T58 VanDerWaalsContact CH2-CG2 3.46Å; W56-T58 HydrophobicContact CZ2-CG2 4.32Å; W56-T58 HydrophobicContact CZ3-CG2 3.57Å; T58-L84 PolarHBondContact N-O 3.07Å; T58-V85 HydrophobicContact CG2-CB 4.18Å; T58-V85 HydrophobicContact CG2-CG1 3.91Å; T58-V85 HydrophobicContact CG2-CG2 4.01Å; T58-M86 PolarHBondContact O-N 3.23Å
59A93.1Very high89.6Confident2 Ų242.7 Ų42.72%0.01723%0.229CC..EExtended strand (participates in β ladder)trans-128.790.6-170.900000111.9E17 L18 F19 Y25 M86E17-A59 WeakPolarHBondContact CB-O 3.07Å; L18-A59 PolarHBondContact N-O 2.81Å; L18-A59 VanDerWaalsContact N-O 3.16Å; F19-A59 HydrophobicContact CB-CB 4.04Å; F19-A59 PolarHBondContact N-O 3.4Å; Y25-A59 HydrophobicContact CE2-CB 3.47Å; Y25-A59 VanDerWaalsContact CE2-CB 3.47Å; A59-M86 HydrophobicContact CB-CE 3.7Å
60G91.6Very high90.1Very high0 Ų040.2 Ų40.20%022%0.219CC..SBendtrans63.262.6-175.800000111.6E17 L18 M86E17-G60 WeakPolarHBondContact CA-O 3.32Å; L18-G60 PolarHBondContact N-O 3.31Å; G60-M86 WeakPolarHBondContact CA-O 3.49Å; G60-M86 PolarHBondContact N-O 3.44Å
61P93.4Very high90.5Very high0 Ų045.6 Ų45.60%024%0.244CC..  trans-59137.5173.727-33.4000109.7K15 F65 T97K15-P61 HydrophobicContact CB-CB 3.96Å; P61-F65 HydrophobicContact CB-CE2 3.86Å; P61-F65 HydrophobicContact CB-CZ 4.02Å; P61-F65 HydrophobicContact CG-CE2 4.04Å; P61-F65 HydrophobicContact CG-CZ 4.38Å; P61-T97 HydrophobicContact CG-CG2 4.34Å
62R92.3Very high91.1Very high123 Ų12339.5 Ų39.546%0.46422%0.22SC..  trans-11818.2-175.3-68.2178.6171.3-178.4-6.6114.1K15 R16 Y95K15-R62 PolarHBondContact O-N 3.27Å; R16-R62 HydrophobicContact CB-CB 4.39Å; R16-R62 WeakPolarHBondContact O-CB 3.41Å; R62-Y95 CarbonylContact C-O 2.85Å; R62-Y95 WeakPolarHBondContact CA-O 3.49Å; R62-Y95 HydrophobicContact CG-CD1 3.82Å
63E92.6Very high91.7Very high82 Ų8236.8 Ų36.838%0.38319%0.191SC..SBendtrans-144.4156.7-178.2-168.3165.6-177.400108.4K15 R16 T97K15-E63 HydrophobicContact CB-CB 4.06Å; K15-E63 HydrophobicContact CD-CB 4.03Å; K15-E63 HydrophobicContact CD-CG 4.31Å; K15-E63 PolarHBondContact O-N 3.4Å; R16-E63 IonicContact NE-OE2 3.93Å; E63-T97 PolarHBondContact O-OG1 3.24Å
64K92.4Very high91.9Very high110 Ų11039.7 Ų39.748%0.47820%0.203SC..PPolyproline II helixtrans-78.7138.4-177.6-64.5175.6-176.4161.20110.4K15 D96 N98K15-K64 WeakPolarHBondContact CE-O 3.39Å; K15-K64 PolarHBondContact NZ-O 2.78Å; K64-D96 WeakPolarHBondContact CE-OD1 3.2Å; K64-D96 IonicContact NZ-OD1 3.81Å; K64-D96 PolarHBondContact NZ-OD1 3.12Å; K64-N98 VanDerWaalsContact CA-OD1 3.26Å; K64-N98 WeakPolarHBondContact CA-OD1 3.26Å; K64-N98 HydrophobicContact CG-CB 4.38Å
65F92.8Very high92Very high6 Ų642.8 Ų42.83%0.02622%0.218CC..PPolyproline II helixtrans-79.6140.3167.8-65-92.3000109.6K15 L45 W56 P61 E69 L70 N98 I99K15-F65 HydrophobicContact CB-CZ 4.31Å; K15-F65 HydrophobicContact CD-CD1 4.44Å; K15-F65 HydrophobicContact CD-CE1 4.45Å; K15-F65 HydrophobicContact CG-CD1 4.1Å; K15-F65 HydrophobicContact CG-CE1 3.63Å; K15-F65 HydrophobicContact CG-CE2 4.16Å; K15-F65 HydrophobicContact CG-CZ 3.67Å; L45-F65 HydrophobicContact CD1-CD1 4.33Å; L45-F65 HydrophobicContact CD1-CE1 4.06Å; W56-F65 HydrophobicContact CH2-CE1 4.42Å; W56-F65 HydrophobicContact CH2-CZ 4.43Å; W56-F65 HydrophobicContact CZ2-CE1 4.43Å; P61-F65 HydrophobicContact CB-CE2 3.86Å; P61-F65 HydrophobicContact CB-CZ 4.02Å; P61-F65 HydrophobicContact CG-CE2 4.04Å; P61-F65 HydrophobicContact CG-CZ 4.38Å; F65-E69 VanDerWaalsContact CA-OE2 3.32Å; F65-E69 WeakPolarHBondContact CA-OE2 3.31Å; F65-E69 HydrophobicContact CD1-CB 4.38Å; F65-L70 HydrophobicContact CB-CD2 3.49Å; F65-L70 VanDerWaalsContact CB-CD2 3.49Å; F65-L70 HydrophobicContact CB-CG 3.9Å; F65-L70 HydrophobicContact CD1-CD2 4.45Å; F65-L70 HydrophobicContact CG-CD2 3.94Å; F65-N98 PolarHBondContact N-OD1 2.88Å; F65-N98 PolarHBondContact O-ND2 2.99Å; F65-I99 HydrophobicContact CD2-CD1 4.16Å; F65-I99 HydrophobicContact CE2-CB 4.34Å; F65-I99 HydrophobicContact CE2-CD1 3.89Å; F65-I99 HydrophobicContact CZ-CD1 4.28Å
66T92.4Very high92Very high62 Ų6243.9 Ų43.938%0.3822%0.222SC..PPolyproline II helixtrans-78.4157.3171.363.10000109.9S68 E69 L70T66-S68 PolarHBondContact O-N 3.29Å; T66-S68 PolarHBondContact OG1-OG 2.98Å; T66-E69 PolarHBondContact N-OE2 3.4Å; T66-E69 PolarHBondContact O-N 3.46Å; T66-E69 VanDerWaalsContact OG1-CG 3.27Å; T66-E69 WeakPolarHBondContact OG1-CG 3.43Å; T66-E69 PolarHBondContact OG1-N 3.13Å; T66-E69 PolarHBondContact OG1-OE2 2.73Å; T66-L70 PolarHBondContact O-N 3.17Å; T66-L70 VanDerWaalsContact O-N 3.12Å
67A91.1Very high91.8Very high71 Ų7143.9 Ų43.959%0.58722%0.222SC*.Hα-helixtrans-55.4-39.6178.300000112.1E69 L70 E71A67-E69 VanDerWaalsContact C-N 3.35Å; A67-E69 PolarHBondContact O-N 2.92Å; A67-L70 PolarHBondContact O-N 2.85Å; A67-E71 WeakPolarHBondContact O-CG 3.26Å; A67-E71 PolarHBondContact O-N 3.04Å
68S90.8Very high91.6Very high70 Ų7047.5 Ų47.549%0.4924%0.242SC..Hα-helixtrans-63.4-37.3176.554.70000113T66 V72T66-S68 PolarHBondContact O-N 3.29Å; T66-S68 PolarHBondContact OG1-OG 2.98Å; S68-V72 WeakPolarHBondContact O-CG2 3.32Å; S68-V72 PolarHBondContact O-N 3.23Å
69E90.9Very high91.2Very high4 Ų450.8 Ų50.82%0.01928%0.276CS..Hα-helixtrans-68.2-40.2176.7-70.2173.2134.900111.3K15 L45 F65 T66 A67 V72 L73K15-E69 VanDerWaalsContact CE-OE1 3.32Å; K15-E69 WeakPolarHBondContact CE-OE1 3.17Å; K15-E69 WeakPolarHBondContact CE-OE2 3.35Å; K15-E69 VanDerWaalsContact NZ-CD 3.33Å; K15-E69 IonicContact NZ-OE1 2.68Å; K15-E69 PolarHBondContact NZ-OE1 3.24Å; K15-E69 IonicContact NZ-OE2 3.7Å; K15-E69 PolarHBondContact NZ-OE2 3.21Å; L45-E69 HydrophobicContact CB-CG 4.19Å; L45-E69 HydrophobicContact CD1-CB 4.49Å; F65-E69 VanDerWaalsContact CA-OE2 3.32Å; F65-E69 WeakPolarHBondContact CA-OE2 3.31Å; F65-E69 HydrophobicContact CD1-CB 4.38Å; T66-E69 PolarHBondContact N-OE2 3.4Å; T66-E69 PolarHBondContact O-N 3.46Å; T66-E69 VanDerWaalsContact OG1-CG 3.27Å; T66-E69 WeakPolarHBondContact OG1-CG 3.43Å; T66-E69 PolarHBondContact OG1-N 3.13Å; T66-E69 PolarHBondContact OG1-OE2 2.73Å; A67-E69 VanDerWaalsContact C-N 3.35Å; A67-E69 PolarHBondContact O-N 2.92Å; E69-V72 PolarHBondContact O-N 2.74Å; E69-L73 WeakPolarHBondContact O-CG 3.36Å; E69-L73 PolarHBondContact O-N 3.23Å
70L91.8Very high90.9Very high23 Ų2352.7 Ų52.712%0.1230%0.295CS..Hα-helixtrans-64.8-41.7176.8-62.3-175.7000111.6F65 T66 A67 V72 L73 K74 F101 L102F65-L70 HydrophobicContact CB-CD2 3.49Å; F65-L70 VanDerWaalsContact CB-CD2 3.49Å; F65-L70 HydrophobicContact CB-CG 3.9Å; F65-L70 HydrophobicContact CD1-CD2 4.45Å; F65-L70 HydrophobicContact CG-CD2 3.94Å; T66-L70 PolarHBondContact O-N 3.17Å; T66-L70 VanDerWaalsContact O-N 3.12Å; A67-L70 PolarHBondContact O-N 2.85Å; L70-V72 VanDerWaalsContact C-N 3.34Å; L70-V72 PolarHBondContact O-N 3.25Å; L70-L73 PolarHBondContact O-N 3.38Å; L70-K74 PolarHBondContact O-N 2.84Å; L70-F101 HydrophobicContact CD1-CB 4.08Å; L70-L102 HydrophobicContact CD2-CB 4.03Å; L70-L102 HydrophobicContact CD2-CD2 4.4Å
71E91.3Very high90.8Very high121 Ų12153 Ų5357%0.56530%0.298SS*.Hα-helixtrans-60.9-41.7173.6-74172.9-173.200111.9A67 L73 K74 H75A67-E71 WeakPolarHBondContact O-CG 3.26Å; A67-E71 PolarHBondContact O-N 3.04Å; E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 PolarHBondContact O-N 3.13Å; E71-K74 PolarHBondContact O-N 2.88Å; E71-H75 PolarHBondContact O-CD2 3.21Å; E71-H75 PolarHBondContact O-N 3.33Å
72V91.9Very high90.8Very high21 Ų2153.8 Ų53.813%0.12730%0.303CS..Hα-helixtrans-62.2-41.9175.9167.10000111.4V47 L50 S68 E69 L70 Y76V47-V72 HydrophobicContact CG2-CB 4.46Å; V47-V72 HydrophobicContact CG2-CG1 4.1Å; V47-V72 HydrophobicContact CG2-CG2 3.8Å; L50-V72 HydrophobicContact CD1-CG1 3.62Å; S68-V72 WeakPolarHBondContact O-CG2 3.32Å; S68-V72 PolarHBondContact O-N 3.23Å; E69-V72 PolarHBondContact O-N 2.74Å; L70-V72 VanDerWaalsContact C-N 3.34Å; L70-V72 PolarHBondContact O-N 3.25Å; V72-Y76 WeakPolarHBondContact O-CB 3.45Å; V72-Y76 PolarHBondContact O-N 2.88Å
73L91.3Very high90.8Very high0 Ų048 Ų480%028%0.281CS..Hα-helixtrans-66.8-38.7177-69.9175.9000112L45 L50 W56 E69 L70 E71 Y76 L77 M83 L102L45-L73 HydrophobicContact CD1-CD1 4.44Å; L45-L73 HydrophobicContact CD1-CD2 4.42Å; L50-L73 HydrophobicContact CD1-CD2 4.27Å; W56-L73 HydrophobicContact CD2-CD2 4.05Å; W56-L73 HydrophobicContact CE3-CD2 4.22Å; W56-L73 HydrophobicContact CH2-CD1 3.84Å; W56-L73 HydrophobicContact CH2-CD2 4.22Å; W56-L73 HydrophobicContact CZ2-CD1 4.23Å; W56-L73 HydrophobicContact CZ2-CD2 4.1Å; W56-L73 HydrophobicContact CZ3-CD1 4.25Å; W56-L73 HydrophobicContact CZ3-CD2 4.29Å; E69-L73 WeakPolarHBondContact O-CG 3.36Å; E69-L73 PolarHBondContact O-N 3.23Å; L70-L73 PolarHBondContact O-N 3.38Å; E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 PolarHBondContact O-N 3.13Å; L73-Y76 WeakPolarHBondContact O-CB 3.4Å; L73-Y76 PolarHBondContact O-N 2.72Å; L73-L77 PolarHBondContact O-N 2.62Å; L73-M83 HydrophobicContact CB-CE 3.97Å; L73-M83 HydrophobicContact CB-SD 4.38Å; L73-M83 HydrophobicContact CD1-CE 4.1Å; L73-M83 HydrophobicContact CD2-CE 3.91Å; L73-M83 HydrophobicContact CG-CE 4.21Å; L73-L102 HydrophobicContact CB-CD2 3.94Å; L73-L102 HydrophobicContact CD1-CD2 3.89Å
74K90.8Very high91Very high75 Ų7544.2 Ų44.233%0.32626%0.263SS..Hα-helixtrans-61.7-50.5174.3-174.6176.2-173.8162.70111.4L70 E71 Y76 L77 D78 L102 E105 F106L70-K74 PolarHBondContact O-N 2.84Å; E71-K74 PolarHBondContact O-N 2.88Å; K74-Y76 PolarHBondContact O-N 2.97Å; K74-L77 PolarHBondContact O-N 3.32Å; K74-L77 VanDerWaalsContact O-N 3.16Å; K74-D78 PolarHBondContact O-N 2.74Å; K74-L102 HydrophobicContact CB-CD1 4.29Å; K74-E105 WeakPolarHBondContact CD-OE2 3.29Å; K74-E105 WeakPolarHBondContact CE-OE2 3.38Å; K74-E105 VanDerWaalsContact NZ-CD 3.34Å; K74-E105 IonicContact NZ-OE1 3.47Å; K74-E105 PolarHBondContact NZ-OE1 3.48Å; K74-E105 IonicContact NZ-OE2 2.91Å; K74-E105 PolarHBondContact NZ-OE2 3.48Å; K74-F106 HydrophobicContact CG-CZ 4.43Å
75H90.3Very high91.1Very high128 Ų12839 Ų3959%0.59324%0.24SC*.Hα-helixtrans-60.4-33174.7-76.6-56.2000113E71 G79E71-H75 PolarHBondContact O-CD2 3.21Å; E71-H75 PolarHBondContact O-N 3.33Å; H75-G79 PolarHBondContact O-N 2.74Å
76Y90.9Very high91.2Very high23 Ų2338.7 Ų38.79%0.0924%0.239CC..Hα-helixtrans-67.2-44.5174.9172.5-106.8000112.1L50 V53 W56 V72 L73 K74 G79 G81 N82 M83L50-Y76 HydrophobicContact CB-CD2 3.82Å; L50-Y76 HydrophobicContact CB-CE2 4.25Å; L50-Y76 HydrophobicContact CB-CG 4.41Å; L50-Y76 HydrophobicContact CD1-CD2 4.4Å; L50-Y76 HydrophobicContact CD1-CG 4.16Å; V53-Y76 HydrophobicContact CB-CE2 4.29Å; V53-Y76 WeakPolarHBondContact O-CE2 3.25Å; V53-Y76 PolarHBondContact O-OH 2.97Å; W56-Y76 HydrophobicContact CB-CE1 3.97Å; V72-Y76 WeakPolarHBondContact O-CB 3.45Å; V72-Y76 PolarHBondContact O-N 2.88Å; L73-Y76 WeakPolarHBondContact O-CB 3.4Å; L73-Y76 PolarHBondContact O-N 2.72Å; K74-Y76 PolarHBondContact O-N 2.97Å; Y76-G79 PolarHBondContact O-N 3.17Å; Y76-G81 VanDerWaalsContact CZ-CA 3.41Å; Y76-G81 WeakPolarHBondContact O-CA 3.41Å; Y76-G81 PolarHBondContact O-N 2.65Å; Y76-N82 WeakPolarHBondContact CE1-O 3.35Å; Y76-N82 PolarHBondContact OH-N 3.09Å; Y76-M83 HydrophobicContact CD1-CG 3.9Å; Y76-M83 HydrophobicContact CD1-SD 4.09Å; Y76-M83 HydrophobicContact CE1-CG 3.83Å
77L90.3Very high91.3Very high0 Ų035.7 Ų35.70%022%0.221CC..Hα-helixtrans-66.3-45.8176.5-169.269.6000110.9L73 K74 G79 G80 G81 M83 F106 Y202 G208 L210L73-L77 PolarHBondContact O-N 2.62Å; K74-L77 PolarHBondContact O-N 3.32Å; K74-L77 VanDerWaalsContact O-N 3.16Å; L77-G79 PolarHBondContact O-N 3Å; L77-G80 PolarHBondContact O-N 3.28Å; L77-G81 WeakPolarHBondContact CD1-O 3.46Å; L77-M83 HydrophobicContact CB-SD 4.14Å; L77-M83 HydrophobicContact CD1-CG 4.38Å; L77-M83 HydrophobicContact CD1-SD 4.34Å; L77-F106 HydrophobicContact CD2-CD1 3.94Å; L77-F106 HydrophobicContact CD2-CD2 4.3Å; L77-F106 HydrophobicContact CD2-CE1 3.45Å; L77-F106 VanDerWaalsContact CD2-CE1 3.45Å; L77-F106 HydrophobicContact CD2-CE2 3.84Å; L77-F106 HydrophobicContact CD2-CG 4.35Å; L77-F106 HydrophobicContact CD2-CZ 3.4Å; L77-Y202 HydrophobicContact CD2-CD1 4.15Å; L77-Y202 HydrophobicContact CD2-CE1 3.98Å; L77-G208 WeakPolarHBondContact O-CA 3.38Å; L77-G208 PolarHBondContact O-N 3.35Å; L77-L210 HydrophobicContact CD1-CB 4.04Å; L77-L210 HydrophobicContact CD2-CB 4.11Å; L77-L210 HydrophobicContact CD2-CD2 4.45Å
78D88.6Confident91.4Very high77 Ų7732.3 Ų32.341%0.41219%0.193SC..Hα-helixtrans-62.4-30175.9-68.9-21.1000112.2K74 G80K74-D78 PolarHBondContact O-N 2.74Å; D78-G80 PolarHBondContact O-N 2.93Å
79G85.4Confident91.5Very high69 Ų6929.9 Ų29.971%0.71117%0.174SC*.THydrogen-bonded Turntrans-76.16.717400000115.2H75 Y76 L77H75-G79 PolarHBondContact O-N 2.74Å; Y76-G79 PolarHBondContact O-N 3.17Å; L77-G79 PolarHBondContact O-N 3Å
80G86.6Confident91.4Very high41 Ų4130.4 Ų30.442%0.42318%0.18SC..THydrogen-bonded Turntrans87.19.1179.400000114.9L77 D78L77-G80 PolarHBondContact O-N 3.28Å; D78-G80 PolarHBondContact O-N 2.93Å
81G88.9Confident91.4Very high7 Ų729.3 Ų29.37%0.07217%0.174CC..  trans-72.1148.9173.800000112Y76 L77 G208Y76-G81 VanDerWaalsContact CZ-CA 3.41Å; Y76-G81 WeakPolarHBondContact O-CA 3.41Å; Y76-G81 PolarHBondContact O-N 2.65Å; L77-G81 WeakPolarHBondContact CD1-O 3.46Å; G81-G208 WeakPolarHBondContact O-CA 3.32Å
82N92.9Very high91.3Very high17 Ų1724.8 Ų24.89%0.09115%0.153CC..EExtended strand (participates in β ladder)trans-103.1146178.8-52.3-65.1000111.3K54 L55 W56 Y76 K209 L240K54-N82 VanDerWaalsContact O-CB 3.32Å; K54-N82 WeakPolarHBondContact O-CB 3.35Å; K54-N82 PolarHBondContact O-N 2.68Å; K54-N82 PolarHBondContact O-ND2 3.47Å; L55-N82 CarbonylContact C-O 3.36Å; L55-N82 WeakPolarHBondContact CA-O 3.41Å; L55-N82 HydrophobicContact CD1-CB 4.02Å; W56-N82 PolarHBondContact N-O 3.18Å; Y76-N82 WeakPolarHBondContact CE1-O 3.35Å; Y76-N82 PolarHBondContact OH-N 3.09Å; N82-K209 CarbonylContact C-O 3.36Å; N82-K209 VanDerWaalsContact CA-O 3.24Å; N82-K209 WeakPolarHBondContact CA-O 3.36Å; N82-K209 VanDerWaalsContact OD1-CB 3.3Å; N82-K209 WeakPolarHBondContact OD1-CB 3.14Å; N82-K209 PolarHBondContact OD1-N 2.6Å; N82-L240 HydrophobicContact CB-CB 4.5Å; N82-L240 HydrophobicContact CB-CD2 4.16Å; N82-L240 VanDerWaalsContact CG-O 3.27Å; N82-L240 PolarHBondContact ND2-O 2.96Å; N82-L240 VanDerWaalsContact ND2-O 3.13Å
83M93.9Very high91.1Very high2 Ų231.5 Ų31.51%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-131.5135.9-176.7-67.6178.363.800111.6W56 L73 Y76 L77 L102 K209 L210 A211W56-M83 HydrophobicContact CB-CG 4.46Å; W56-M83 HydrophobicContact CE3-CB 4.35Å; W56-M83 HydrophobicContact CE3-CE 3.48Å; W56-M83 VanDerWaalsContact CE3-CE 3.48Å; W56-M83 HydrophobicContact CE3-CG 4.13Å; W56-M83 HydrophobicContact CH2-CE 4.39Å; W56-M83 HydrophobicContact CZ3-CE 3.4Å; W56-M83 CarbonylContact O-C 3.4Å; W56-M83 WeakPolarHBondContact O-CA 3.14Å; L73-M83 HydrophobicContact CB-CE 3.97Å; L73-M83 HydrophobicContact CB-SD 4.38Å; L73-M83 HydrophobicContact CD1-CE 4.1Å; L73-M83 HydrophobicContact CD2-CE 3.91Å; L73-M83 HydrophobicContact CG-CE 4.21Å; Y76-M83 HydrophobicContact CD1-CG 3.9Å; Y76-M83 HydrophobicContact CD1-SD 4.09Å; Y76-M83 HydrophobicContact CE1-CG 3.83Å; L77-M83 HydrophobicContact CB-SD 4.14Å; L77-M83 HydrophobicContact CD1-CG 4.38Å; L77-M83 HydrophobicContact CD1-SD 4.34Å; M83-L102 HydrophobicContact CE-CD2 4Å; M83-K209 PolarHBondContact N-O 3Å; M83-L210 HydrophobicContact CB-CD1 3.68Å; M83-L210 WeakPolarHBondContact O-CA 3.41Å; M83-A211 PolarHBondContact O-N 3.31Å
84L94.9Very high91Very high1 Ų137.5 Ų37.51%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-120.7112.1169.9177.862.2000109.1M28 L55 W56 I57 T58 M86 A211 V236 L240M28-L84 HydrophobicContact CE-CD2 3.98Å; L55-L84 HydrophobicContact CD1-CB 4.21Å; W56-L84 PolarHBondContact O-N 2.86Å; I57-L84 WeakPolarHBondContact CA-O 3.46Å; I57-L84 HydrophobicContact CG1-CB 4.22Å; I57-L84 HydrophobicContact CG2-CB 4.35Å; I57-L84 HydrophobicContact CG2-CD2 4.15Å; I57-L84 HydrophobicContact CG2-CG 4.35Å; T58-L84 PolarHBondContact N-O 3.07Å; L84-M86 HydrophobicContact CD1-CG 4.21Å; L84-M86 HydrophobicContact CD2-CE 4.28Å; L84-M86 HydrophobicContact CD2-SD 4.17Å; L84-M86 HydrophobicContact CG-CG 4.08Å; L84-M86 HydrophobicContact CG-SD 4.35Å; L84-A211 WeakPolarHBondContact CA-O 3.16Å; L84-A211 HydrophobicContact CD1-CB 3.81Å; L84-V236 HydrophobicContact CD1-CG1 4.13Å; L84-L240 HydrophobicContact CB-CD1 3.97Å; L84-L240 HydrophobicContact CD1-CD1 4.38Å
85V95.6Very high91Very high0 Ų034.8 Ų34.80%020%0.199CC..EExtended strand (participates in β ladder)trans-108.1121.8178.7-179.30000108.5W56 T58 L87 I99 L103 L210 A211 V212 L213W56-V85 HydrophobicContact CZ3-CG2 4.08Å; T58-V85 HydrophobicContact CG2-CB 4.18Å; T58-V85 HydrophobicContact CG2-CG1 3.91Å; T58-V85 HydrophobicContact CG2-CG2 4.01Å; V85-L87 HydrophobicContact CG1-CD1 3.68Å; V85-I99 HydrophobicContact CG1-CG1 3.95Å; V85-L103 HydrophobicContact CB-CD2 4.44Å; V85-L103 HydrophobicContact CG1-CD1 4.25Å; V85-L103 HydrophobicContact CG1-CD2 4.5Å; V85-L103 HydrophobicContact CG2-CD2 4.22Å; V85-L210 HydrophobicContact CG2-CD1 4.03Å; V85-A211 PolarHBondContact N-O 3.11Å; V85-V212 HydrophobicContact CB-CG2 4.45Å; V85-V212 CarbonylContact O-C 3.57Å; V85-V212 VanDerWaalsContact O-CA 3.32Å; V85-V212 WeakPolarHBondContact O-CA 3.39Å; V85-L213 PolarHBondContact O-N 3.38Å
86M95.1Very high91Very high0 Ų033.2 Ų33.20%020%0.195CC..EExtended strand (participates in β ladder)trans-121.1129.7177.2-54.5-179-75.700109.9Y25 I57 T58 A59 G60 L84 L213 C216 F219Y25-M86 HydrophobicContact CE2-CE 3.87Å; Y25-M86 WeakPolarHBondContact OH-CE 3.47Å; I57-M86 HydrophobicContact CG2-CE 3.8Å; T58-M86 PolarHBondContact O-N 3.23Å; A59-M86 HydrophobicContact CB-CE 3.7Å; G60-M86 WeakPolarHBondContact CA-O 3.49Å; G60-M86 PolarHBondContact N-O 3.44Å; L84-M86 HydrophobicContact CD1-CG 4.21Å; L84-M86 HydrophobicContact CD2-CE 4.28Å; L84-M86 HydrophobicContact CD2-SD 4.17Å; L84-M86 HydrophobicContact CG-CG 4.08Å; L84-M86 HydrophobicContact CG-SD 4.35Å; M86-L213 VanDerWaalsContact CA-O 3.28Å; M86-L213 WeakPolarHBondContact CA-O 3.19Å; M86-L213 HydrophobicContact CG-CB 4.14Å; M86-C216 HydrophobicContact CB-CB 4.07Å; M86-F219 HydrophobicContact SD-CD2 3.73Å; M86-F219 HydrophobicContact SD-CE2 4.26Å
87L94.1Very high91Very high0 Ų032.6 Ų32.60%019%0.193CC..  trans-118.8-179.3170.4-78.698.7000110.2V85 E92 T97 I99 V110 L213 G214 S215 C216V85-L87 HydrophobicContact CG1-CD1 3.68Å; L87-E92 HydrophobicContact CD2-CG 4.4Å; L87-T97 HydrophobicContact CD2-CG2 3.95Å; L87-I99 HydrophobicContact CD1-CG2 3.69Å; L87-I99 HydrophobicContact CD2-CG2 3.96Å; L87-I99 HydrophobicContact CG-CG2 4.41Å; L87-V110 HydrophobicContact CB-CG1 4.13Å; L87-V110 HydrophobicContact CB-CG2 4.43Å; L87-V110 HydrophobicContact CD1-CG2 3.8Å; L87-L213 PolarHBondContact N-O 3.08Å; L87-G214 CarbonylContact C-O 3.58Å; L87-G214 CarbonylContact O-C 3.57Å; L87-S215 CarbonylContact O-C 3.57Å; L87-S215 WeakPolarHBondContact O-CA 3.23Å; L87-S215 PolarHBondContact O-N 3.44Å; L87-C216 PolarHBondContact O-N 3.28Å
88G92.5Very high91.2Very high0 Ų034 Ų340%020%0.201CC..  trans-126.4-16917500000111.7G91 A173 G214G88-G91 PolarHBondContact O-N 2.79Å; G88-G91 VanDerWaalsContact O-N 3.15Å; G88-A173 WeakPolarHBondContact O-CB 3.36Å; G88-G214 WeakPolarHBondContact CA-O 3.27Å
89E93.1Very high91.4Very high19 Ų1930.3 Ų30.39%0.08918%0.181CC..THydrogen-bonded Turntrans-51.8146.717659.6167.2-155.700113.5G91 K94 A115 K128 F171E89-G91 PolarHBondContact O-N 3.36Å; E89-K94 HydrophobicContact CG-CD 4.36Å; E89-K94 WeakPolarHBondContact O-CD 3.37Å; E89-K94 IonicContact OE1-NZ 3.65Å; E89-K94 PolarHBondContact OE1-NZ 3.32Å; E89-A115 HydrophobicContact CB-CB 3.93Å; E89-K128 IonicContact OE1-NZ 2.65Å; E89-K128 PolarHBondContact OE1-NZ 3.33Å; E89-K128 WeakPolarHBondContact OE2-CD 3.39Å; E89-K128 VanDerWaalsContact OE2-CE 3.29Å; E89-K128 WeakPolarHBondContact OE2-CE 3.45Å; E89-K128 IonicContact OE2-NZ 3.61Å; E89-K128 PolarHBondContact OE2-NZ 2.9Å; E89-F171 HydrophobicContact CG-CB 4.24Å; E89-F171 PolarHBondContact N-O 2.91Å
90G89.4Confident91.8Very high14 Ų1427.1 Ų27.114%0.14415%0.148CC..THydrogen-bonded Turntrans69.27.1-175.700000114E92 M93 K94 S112 D114G90-E92 PolarHBondContact O-N 3.3Å; G90-M93 PolarHBondContact O-N 3.37Å; G90-K94 PolarHBondContact O-N 3.32Å; G90-K94 VanDerWaalsContact O-N 3.07Å; G90-S112 CarbonylContact O-C 3.6Å; G90-D114 PolarHBondContact N-O 2.8Å
91G90.8Very high92.1Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans43.8-132.2172.500000113.3G88 E89 Y95G88-G91 PolarHBondContact O-N 2.79Å; G88-G91 VanDerWaalsContact O-N 3.15Å; E89-G91 PolarHBondContact O-N 3.36Å; G91-Y95 VanDerWaalsContact O-CD2 3.26Å; G91-Y95 WeakPolarHBondContact O-CD2 3.37Å; G91-Y95 PolarHBondContact O-N 3.44Å
92E89.5Confident92.3Very high27 Ų2731.7 Ų31.713%0.12616%0.155CC..Hα-helixtrans-70.5-34.1-175.7-62.9-165.7125.100114.3L87 G90 K94 Y95 D96 T97 N98 I99 N100 S112L87-E92 HydrophobicContact CD2-CG 4.4Å; G90-E92 PolarHBondContact O-N 3.3Å; E92-K94 VanDerWaalsContact C-N 3.33Å; E92-K94 PolarHBondContact O-N 2.86Å; E92-Y95 CarbonylContact O-C 3.44Å; E92-Y95 PolarHBondContact O-N 3.03Å; E92-D96 WeakPolarHBondContact O-CA 3.46Å; E92-D96 PolarHBondContact O-N 3.02Å; E92-T97 HydrophobicContact CB-CG2 4.38Å; E92-T97 HydrophobicContact CG-CG2 4.19Å; E92-T97 PolarHBondContact O-N 2.72Å; E92-N98 VanDerWaalsContact OE1-CA 3.26Å; E92-N98 WeakPolarHBondContact OE1-CA 3.4Å; E92-I99 HydrophobicContact CG-CG2 4.45Å; E92-I99 PolarHBondContact OE1-N 2.76Å; E92-N100 HydrophobicContact CG-CB 4.43Å; E92-N100 WeakPolarHBondContact CG-ND2 3.29Å; E92-N100 VanDerWaalsContact OE1-CB 3.25Å; E92-N100 WeakPolarHBondContact OE1-CB 2.84Å; E92-N100 PolarHBondContact OE1-N 3.33Å; E92-N100 VanDerWaalsContact OE2-CB 3.31Å; E92-N100 WeakPolarHBondContact OE2-CB 3.26Å; E92-N100 PolarHBondContact OE2-ND2 2.91Å; E92-S112 PolarHBondContact N-OG 2.92Å
93M88.2Confident92.3Very high161 Ų16130.9 Ų30.979%0.79315%0.15SC*.Hα-helixtrans-66.5-38.1-176.3-71.6-72.5-71.600111.2G90 S112G90-M93 PolarHBondContact O-N 3.37Å; M93-S112 WeakPolarHBondContact CB-O 3.19Å
94K90.3Very high92.3Very high127 Ų12735.5 Ų35.555%0.55217%0.172SC*.Hα-helixtrans-76.4-33.3177-173.6173.9-178.4171.50112.6E89 G90 E92E89-K94 HydrophobicContact CG-CD 4.36Å; E89-K94 WeakPolarHBondContact O-CD 3.37Å; E89-K94 IonicContact OE1-NZ 3.65Å; E89-K94 PolarHBondContact OE1-NZ 3.32Å; G90-K94 PolarHBondContact O-N 3.32Å; G90-K94 VanDerWaalsContact O-N 3.07Å; E92-K94 VanDerWaalsContact C-N 3.33Å; E92-K94 PolarHBondContact O-N 2.86Å
95Y89Confident92.1Very high18 Ų1840.6 Ų40.67%0.07120%0.196CC..Hα-helixtrans-89.3-7.8-178.8-77.7-107.5000113.1L18 R62 G91 E92 T97L18-Y95 HydrophobicContact CB-CE1 4.43Å; L18-Y95 HydrophobicContact CD2-CE1 4.36Å; R62-Y95 CarbonylContact C-O 2.85Å; R62-Y95 WeakPolarHBondContact CA-O 3.49Å; R62-Y95 HydrophobicContact CG-CD1 3.82Å; G91-Y95 VanDerWaalsContact O-CD2 3.26Å; G91-Y95 WeakPolarHBondContact O-CD2 3.37Å; G91-Y95 PolarHBondContact O-N 3.44Å; E92-Y95 CarbonylContact O-C 3.44Å; E92-Y95 PolarHBondContact O-N 3.03Å; Y95-T97 VanDerWaalsContact C-N 3.28Å; Y95-T97 PolarHBondContact O-N 3.43Å
96D90.9Very high91.9Very high95 Ų9541 Ų4151%0.50820%0.198SC..THydrogen-bonded Turntrans50.445.5-176-166.529.9000113K64 E92K64-D96 WeakPolarHBondContact CE-OD1 3.2Å; K64-D96 IonicContact NZ-OD1 3.81Å; K64-D96 PolarHBondContact NZ-OD1 3.12Å; E92-D96 WeakPolarHBondContact O-CA 3.46Å; E92-D96 PolarHBondContact O-N 3.02Å
97T91.8Very high91.7Very high9 Ų941.2 Ų41.26%0.05520%0.199CC..  trans-118.6173.7176.5-164.20000110.8P61 E63 L87 E92 Y95 I99P61-T97 HydrophobicContact CG-CG2 4.34Å; E63-T97 PolarHBondContact O-OG1 3.24Å; L87-T97 HydrophobicContact CD2-CG2 3.95Å; E92-T97 HydrophobicContact CB-CG2 4.38Å; E92-T97 HydrophobicContact CG-CG2 4.19Å; E92-T97 PolarHBondContact O-N 2.72Å; Y95-T97 VanDerWaalsContact C-N 3.28Å; Y95-T97 PolarHBondContact O-N 3.43Å; T97-I99 HydrophobicContact CG2-CG2 4.03Å
98N93.4Very high91.7Very high29 Ų2941.2 Ų41.216%0.15520%0.2CC..  trans-138.835.5-174.668.5-30.2000110.9K64 F65 E92 N100 F101K64-N98 VanDerWaalsContact CA-OD1 3.26Å; K64-N98 WeakPolarHBondContact CA-OD1 3.26Å; K64-N98 HydrophobicContact CG-CB 4.38Å; F65-N98 PolarHBondContact N-OD1 2.88Å; F65-N98 PolarHBondContact O-ND2 2.99Å; E92-N98 VanDerWaalsContact OE1-CA 3.26Å; E92-N98 WeakPolarHBondContact OE1-CA 3.4Å; N98-N100 VanDerWaalsContact C-N 3.34Å; N98-F101 HydrophobicContact CB-CD2 3.83Å; N98-F101 HydrophobicContact CB-CE2 4.14Å
99I92.5Very high91.8Very high0 Ų044.3 Ų44.30%022%0.215CC..THydrogen-bonded Turntrans-72.1-25.2-177.5-167.959.8000112.9F65 V85 L87 E92 T97 F101 L102 L103F65-I99 HydrophobicContact CD2-CD1 4.16Å; F65-I99 HydrophobicContact CE2-CB 4.34Å; F65-I99 HydrophobicContact CE2-CD1 3.89Å; F65-I99 HydrophobicContact CZ-CD1 4.28Å; V85-I99 HydrophobicContact CG1-CG1 3.95Å; L87-I99 HydrophobicContact CD1-CG2 3.69Å; L87-I99 HydrophobicContact CD2-CG2 3.96Å; L87-I99 HydrophobicContact CG-CG2 4.41Å; E92-I99 HydrophobicContact CG-CG2 4.45Å; E92-I99 PolarHBondContact OE1-N 2.76Å; T97-I99 HydrophobicContact CG2-CG2 4.03Å; I99-F101 PolarHBondContact O-N 3.47Å; I99-L102 HydrophobicContact CD1-CD2 4.13Å; I99-L102 WeakPolarHBondContact O-CB 3.32Å; I99-L102 PolarHBondContact O-N 2.7Å; I99-L103 HydrophobicContact CG1-CD1 4.39Å; I99-L103 HydrophobicContact CG1-CG 4.34Å; I99-L103 HydrophobicContact CG2-CD1 4.39Å; I99-L103 WeakPolarHBondContact O-CG 3.27Å; I99-L103 PolarHBondContact O-N 3.19Å; I99-L103 VanDerWaalsContact O-N 3.13Å
100N93.9Very high91.8Very high3 Ų343.4 Ų43.42%0.01621%0.211CC..Hα-helixtrans-59.9-31175.9-77.5-19.7000111.5E92 N98 L102 L103 E104 M109 V110E92-N100 HydrophobicContact CG-CB 4.43Å; E92-N100 WeakPolarHBondContact CG-ND2 3.29Å; E92-N100 VanDerWaalsContact OE1-CB 3.25Å; E92-N100 WeakPolarHBondContact OE1-CB 2.84Å; E92-N100 PolarHBondContact OE1-N 3.33Å; E92-N100 VanDerWaalsContact OE2-CB 3.31Å; E92-N100 WeakPolarHBondContact OE2-CB 3.26Å; E92-N100 PolarHBondContact OE2-ND2 2.91Å; N98-N100 VanDerWaalsContact C-N 3.34Å; N100-L102 PolarHBondContact O-N 3.28Å; N100-L102 VanDerWaalsContact O-N 3.11Å; N100-L103 PolarHBondContact O-N 2.98Å; N100-L103 VanDerWaalsContact O-N 3.08Å; N100-E104 VanDerWaalsContact O-CB 3.27Å; N100-E104 WeakPolarHBondContact O-CB 3.01Å; N100-E104 WeakPolarHBondContact O-CG 3.14Å; N100-E104 PolarHBondContact O-N 3.2Å; N100-M109 HydrophobicContact CB-CG 4.35Å; N100-V110 PolarHBondContact ND2-O 3.48Å; N100-V110 PolarHBondContact OD1-N 2.97Å
101F93.2Very high92Very high138 Ų13843.6 Ų43.661%0.60521%0.208SC*.Hα-helixtrans-55-32.3172.5-79-79000112.7L70 N98 I99L70-F101 HydrophobicContact CD1-CB 4.08Å; N98-F101 HydrophobicContact CB-CD2 3.83Å; N98-F101 HydrophobicContact CB-CE2 4.14Å; I99-F101 PolarHBondContact O-N 3.47Å
102L92.9Very high91.5Very high5 Ų545.2 Ų45.23%0.02622%0.22CC..Hα-helixtrans-82.9-44.9173.5178.669.5000111.6L70 L73 K74 M83 I99 N100 E104 E105 F106L70-L102 HydrophobicContact CD2-CB 4.03Å; L70-L102 HydrophobicContact CD2-CD2 4.4Å; L73-L102 HydrophobicContact CB-CD2 3.94Å; L73-L102 HydrophobicContact CD1-CD2 3.89Å; K74-L102 HydrophobicContact CB-CD1 4.29Å; M83-L102 HydrophobicContact CE-CD2 4Å; I99-L102 HydrophobicContact CD1-CD2 4.13Å; I99-L102 WeakPolarHBondContact O-CB 3.32Å; I99-L102 PolarHBondContact O-N 2.7Å; N100-L102 PolarHBondContact O-N 3.28Å; N100-L102 VanDerWaalsContact O-N 3.11Å; L102-E104 VanDerWaalsContact C-N 3.34Å; L102-E104 PolarHBondContact O-N 2.98Å; L102-E105 PolarHBondContact O-N 3.39Å; L102-F106 HydrophobicContact CD1-CE2 3.8Å; L102-F106 HydrophobicContact CG-CE2 4.05Å; L102-F106 WeakPolarHBondContact O-CD2 3.26Å; L102-F106 WeakPolarHBondContact O-CE2 3.41Å
103L93.6Very high91Very high0 Ų048.6 Ų48.60%025%0.252CS..Hα-helixtrans-67.6-34.1-174-58.3179.4000112.5V85 I99 N100 E105 F106 G107 I108 V110 L210 V212V85-L103 HydrophobicContact CB-CD2 4.44Å; V85-L103 HydrophobicContact CG1-CD1 4.25Å; V85-L103 HydrophobicContact CG1-CD2 4.5Å; V85-L103 HydrophobicContact CG2-CD2 4.22Å; I99-L103 HydrophobicContact CG1-CD1 4.39Å; I99-L103 HydrophobicContact CG1-CG 4.34Å; I99-L103 HydrophobicContact CG2-CD1 4.39Å; I99-L103 WeakPolarHBondContact O-CG 3.27Å; I99-L103 PolarHBondContact O-N 3.19Å; I99-L103 VanDerWaalsContact O-N 3.13Å; N100-L103 PolarHBondContact O-N 2.98Å; N100-L103 VanDerWaalsContact O-N 3.08Å; L103-E105 VanDerWaalsContact C-N 3.26Å; L103-E105 PolarHBondContact O-N 2.91Å; L103-F106 CarbonylContact O-C 3.5Å; L103-F106 WeakPolarHBondContact O-CA 3.35Å; L103-F106 PolarHBondContact O-N 2.89Å; L103-G107 PolarHBondContact O-N 3.22Å; L103-I108 CarbonylContact C-O 3.41Å; L103-I108 WeakPolarHBondContact CA-O 3.33Å; L103-I108 HydrophobicContact CB-CB 4.35Å; L103-I108 WeakPolarHBondContact CB-O 3.47Å; L103-I108 PolarHBondContact O-N 3.46Å; L103-V110 HydrophobicContact CD1-CG2 4.05Å; L103-L210 HydrophobicContact CD2-CD1 4.35Å; L103-L210 HydrophobicContact CD2-CD2 4.06Å; L103-V212 HydrophobicContact CD1-CG1 3.98Å; L103-V212 HydrophobicContact CD1-CG2 4.25Å; L103-V212 HydrophobicContact CD2-CG2 3.69Å
104E93Very high91Very high100 Ų10041.3 Ų41.347%0.46722%0.216SC..G310 helixtrans-61.3-34.8180-78.5174-164.400111.7N100 L102 F106 G107 I108 M109N100-E104 VanDerWaalsContact O-CB 3.27Å; N100-E104 WeakPolarHBondContact O-CB 3.01Å; N100-E104 WeakPolarHBondContact O-CG 3.14Å; N100-E104 PolarHBondContact O-N 3.2Å; L102-E104 VanDerWaalsContact C-N 3.34Å; L102-E104 PolarHBondContact O-N 2.98Å; E104-F106 PolarHBondContact O-N 3.29Å; E104-G107 PolarHBondContact O-N 2.99Å; E104-I108 PolarHBondContact N-O 3.41Å; E104-I108 VanDerWaalsContact N-O 3.1Å; E104-M109 HydrophobicContact CG-CB 4.21Å; E104-M109 HydrophobicContact CG-CG 4.31Å
105E90.6Very high91.1Very high107 Ų10736.6 Ų36.650%0.520%0.201SC..G310 helixtrans-62.2-27.1174.9-61.1-167.4157.600112.5K74 L102 L103K74-E105 WeakPolarHBondContact CD-OE2 3.29Å; K74-E105 WeakPolarHBondContact CE-OE2 3.38Å; K74-E105 VanDerWaalsContact NZ-CD 3.34Å; K74-E105 IonicContact NZ-OE1 3.47Å; K74-E105 PolarHBondContact NZ-OE1 3.48Å; K74-E105 IonicContact NZ-OE2 2.91Å; K74-E105 PolarHBondContact NZ-OE2 3.48Å; L102-E105 PolarHBondContact O-N 3.39Å; L103-E105 VanDerWaalsContact C-N 3.26Å; L103-E105 PolarHBondContact O-N 2.91Å
106F91.6Very high91.3Very high9 Ų935.8 Ų35.84%0.03920%0.198CC..G310 helixtrans-95.33.4176.2-55.7-67000112.8K74 L77 L102 L103 E104 A181 Y202 L210K74-F106 HydrophobicContact CG-CZ 4.43Å; L77-F106 HydrophobicContact CD2-CD1 3.94Å; L77-F106 HydrophobicContact CD2-CD2 4.3Å; L77-F106 HydrophobicContact CD2-CE1 3.45Å; L77-F106 VanDerWaalsContact CD2-CE1 3.45Å; L77-F106 HydrophobicContact CD2-CE2 3.84Å; L77-F106 HydrophobicContact CD2-CG 4.35Å; L77-F106 HydrophobicContact CD2-CZ 3.4Å; L102-F106 HydrophobicContact CD1-CE2 3.8Å; L102-F106 HydrophobicContact CG-CE2 4.05Å; L102-F106 WeakPolarHBondContact O-CD2 3.26Å; L102-F106 WeakPolarHBondContact O-CE2 3.41Å; L103-F106 CarbonylContact O-C 3.5Å; L103-F106 WeakPolarHBondContact O-CA 3.35Å; L103-F106 PolarHBondContact O-N 2.89Å; E104-F106 PolarHBondContact O-N 3.29Å; F106-A181 WeakPolarHBondContact O-CB 3.37Å; F106-Y202 HydrophobicContact CB-CD2 4.03Å; F106-Y202 HydrophobicContact CB-CE2 4.38Å; F106-Y202 HydrophobicContact CB-CG 4.09Å; F106-Y202 HydrophobicContact CD1-CD1 4.02Å; F106-Y202 HydrophobicContact CD1-CD2 4.3Å; F106-Y202 AromaticContact CD1-CE1 3.63Å; F106-Y202 HydrophobicContact CD1-CE1 3.63Å; F106-Y202 AromaticContact CD1-CE2 3.93Å; F106-Y202 HydrophobicContact CD1-CE2 3.93Å; F106-Y202 HydrophobicContact CD1-CG 4.33Å; F106-Y202 AromaticContact CD1-CZ 3.58Å; F106-Y202 HydrophobicContact CE1-CE1 4.1Å; F106-Y202 HydrophobicContact CG-CD1 4.44Å; F106-Y202 HydrophobicContact CG-CE1 4.47Å; F106-Y202 HydrophobicContact CG-CG 4.5Å; F106-L210 HydrophobicContact CB-CD2 3.95Å; F106-L210 HydrophobicContact CD2-CD2 3.69Å; F106-L210 HydrophobicContact CE2-CD2 4.48Å; F106-L210 HydrophobicContact CG-CD2 3.9Å
107G91.1Very high91.3Very high4 Ų433.3 Ų33.34%0.04119%0.186CC..THydrogen-bonded Turntrans79.324179.800000114.2L103 E104 V177 M178L103-G107 PolarHBondContact O-N 3.22Å; E104-G107 PolarHBondContact O-N 2.99Å; G107-V177 CarbonylContact O-C 3.57Å; G107-V177 WeakPolarHBondContact O-CA 3.47Å; G107-M178 VanDerWaalsContact CA-CG 3.45Å; G107-M178 WeakPolarHBondContact O-CG 3.11Å; G107-M178 PolarHBondContact O-N 3.06Å
108I95Very high91.2Very high1 Ų134.1 Ų34.11%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-123.2134.7177-53.6169.7000109.1L103 E104 S176 A181 A200 L210 V212L103-I108 CarbonylContact C-O 3.41Å; L103-I108 WeakPolarHBondContact CA-O 3.33Å; L103-I108 HydrophobicContact CB-CB 4.35Å; L103-I108 WeakPolarHBondContact CB-O 3.47Å; L103-I108 PolarHBondContact O-N 3.46Å; E104-I108 PolarHBondContact N-O 3.41Å; E104-I108 VanDerWaalsContact N-O 3.1Å; I108-S176 CarbonylContact C-O 3.45Å; I108-S176 WeakPolarHBondContact CA-O 3.22Å; I108-A181 HydrophobicContact CD1-CB 3.73Å; I108-A181 HydrophobicContact CG1-CB 3.33Å; I108-A200 HydrophobicContact CD1-CB 3.82Å; I108-A200 HydrophobicContact CG1-CB 4.05Å; I108-A200 HydrophobicContact CG2-CB 4.15Å; I108-L210 HydrophobicContact CD1-CD2 4.43Å; I108-V212 HydrophobicContact CB-CG2 4.34Å; I108-V212 HydrophobicContact CD1-CB 4.25Å; I108-V212 HydrophobicContact CD1-CG2 3.66Å; I108-V212 HydrophobicContact CG2-CB 3.86Å; I108-V212 HydrophobicContact CG2-CG1 3.92Å; I108-V212 HydrophobicContact CG2-CG2 3.9Å
109M94.4Very high90.8Very high64 Ų6437 Ų3732%0.31520%0.204SC..EExtended strand (participates in β ladder)trans-136.7131.5173.7-176.9-174.867.500109.5N100 E104 L175 S176N100-M109 HydrophobicContact CB-CG 4.35Å; E104-M109 HydrophobicContact CG-CB 4.21Å; E104-M109 HydrophobicContact CG-CG 4.31Å; M109-L175 CarbonylContact O-C 3.56Å; M109-L175 WeakPolarHBondContact O-CA 3.3Å; M109-S176 PolarHBondContact N-O 2.82Å; M109-S176 PolarHBondContact O-N 3.49Å
110V93.6Very high90.4Very high0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-82126.1171.9-172.30000108.7L87 N100 L103 S112 A173 L175 V212L87-V110 HydrophobicContact CB-CG1 4.13Å; L87-V110 HydrophobicContact CB-CG2 4.43Å; L87-V110 HydrophobicContact CD1-CG2 3.8Å; N100-V110 PolarHBondContact ND2-O 3.48Å; N100-V110 PolarHBondContact OD1-N 2.97Å; L103-V110 HydrophobicContact CD1-CG2 4.05Å; V110-S112 PolarHBondContact O-N 2.84Å; V110-S112 PolarHBondContact O-OG 3.37Å; V110-A173 HydrophobicContact CG1-CB 3.88Å; V110-L175 HydrophobicContact CB-CD2 4.13Å; V110-L175 HydrophobicContact CG1-CD2 4.17Å; V110-L175 HydrophobicContact CG2-CD2 3.67Å; V110-V212 HydrophobicContact CG2-CG1 4.12Å
111N91.9Very high90.1Very high19 Ų1948.9 Ų48.910%0.10226%0.26CS..  trans-70.1125.3-178.9-67-36.5000110.5A113 D114 T174 S176N111-A113 PolarHBondContact O-N 3.49Å; N111-D114 WeakPolarHBondContact CB-OD2 3.36Å; N111-T174 WeakPolarHBondContact CB-O 3.31Å; N111-T174 PolarHBondContact N-O 3.49Å; N111-T174 PolarHBondContact ND2-O 2.79Å; N111-T174 PolarHBondContact ND2-OG1 2.79Å; N111-S176 PolarHBondContact ND2-OG 3.49Å; N111-S176 PolarHBondContact OD1-OG 2.93Å
112S82.1Confident89.5Confident34 Ų3448.4 Ų48.424%0.23826%0.255CS..THydrogen-bonded Turntrans-91.85.8-167.7-56.20000114.9G90 E92 M93 V110G90-S112 CarbonylContact O-C 3.6Å; E92-S112 PolarHBondContact N-OG 2.92Å; M93-S112 WeakPolarHBondContact CB-O 3.19Å; V110-S112 PolarHBondContact O-N 2.84Å; V110-S112 PolarHBondContact O-OG 3.37Å
113A78.4Confident89.1Confident97 Ų9753.6 Ų53.680%0.80228%0.278SS*.THydrogen-bonded Turntrans-136.112.1-177.300000113.4N111N111-A113 PolarHBondContact O-N 3.49Å
114D88.4Confident88.8Confident8 Ų855 Ų554%0.04328%0.283CS..  trans-118.5161.3-175.178.4-1.2000113.3G90 N111 A173 T174 Y260G90-D114 PolarHBondContact N-O 2.8Å; N111-D114 WeakPolarHBondContact CB-OD2 3.36Å; D114-A173 VanDerWaalsContact OD1-CA 3.28Å; D114-A173 WeakPolarHBondContact OD1-CA 3.4Å; D114-A173 VanDerWaalsContact OD1-CB 3.25Å; D114-A173 WeakPolarHBondContact OD1-CB 2.94Å; D114-T174 PolarHBondContact OD1-N 2.84Å; D114-T174 WeakPolarHBondContact OD2-CB 3.27Å; D114-T174 PolarHBondContact OD2-N 3.38Å; D114-T174 PolarHBondContact OD2-OG1 2.89Å; D114-Y260 HydrophobicContact CB-CE2 4.41Å; D114-Y260 WeakPolarHBondContact CB-OH 3.3Å
115A91.7Very high88.4Confident29 Ų2958.9 Ų58.924%0.2430%0.299CS..  trans-148.3129.4172.300000107.2E89 V117 K128E89-A115 HydrophobicContact CB-CB 3.93Å; A115-V117 PolarHBondContact O-N 3.34Å; A115-K128 HydrophobicContact CB-CD 4.28Å
116V92.6Very high88.5Confident1 Ų157.3 Ų57.31%0.00629%0.291CS..  trans-72125.3177.3-178.30000108.8A130 Y169 G172 T174 T187 C191 F192V116-A130 HydrophobicContact CG1-CB 3.89Å; V116-Y169 HydrophobicContact CB-CD1 3.91Å; V116-Y169 HydrophobicContact CB-CE1 4.01Å; V116-Y169 HydrophobicContact CG1-CD1 4.15Å; V116-Y169 HydrophobicContact CG2-CD1 4.01Å; V116-Y169 HydrophobicContact CG2-CE1 3.64Å; V116-G172 PolarHBondContact N-O 3.46Å; V116-T174 HydrophobicContact CG2-CG2 3.47Å; V116-T174 VanDerWaalsContact CG2-CG2 3.47Å; V116-T187 HydrophobicContact CB-CG2 4.36Å; V116-T187 HydrophobicContact CG1-CG2 3.78Å; V116-T187 HydrophobicContact CG2-CG2 3.57Å; V116-C191 HydrophobicContact CG1-CB 3.79Å; V116-F192 WeakPolarHBondContact CA-O 3.3Å
117V92.1Very high88.4Confident43 Ų4360.3 Ų60.326%0.26131%0.312SS..EExtended strand (participates in β ladder)trans-120.5150.4175.4-66.80000109.3A115 K128 C191 F192A115-V117 PolarHBondContact O-N 3.34Å; V117-K128 HydrophobicContact CG1-CG 3.93Å; V117-C191 CarbonylContact O-C 3.53Å; V117-C191 WeakPolarHBondContact O-CA 3.37Å; V117-F192 HydrophobicContact CG2-CB 3.99Å; V117-F192 HydrophobicContact CG2-CD1 4.45Å; V117-F192 PolarHBondContact N-O 3.42Å; V117-F192 PolarHBondContact O-N 2.8Å
118R89.1Confident88.5Confident26 Ų2662.9 Ų62.910%0.09832%0.322CS..EExtended strand (participates in β ladder)trans-74.4149.7168.573.2-171.373.5-156.414.2110.8V120 Y122 Y124 H126 P127 E129R118-V120 WeakPolarHBondContact CD-O 3.33Å; R118-V120 WeakPolarHBondContact CG-O 3.16Å; R118-Y122 PolarHBondContact NH1-O 2.98Å; R118-Y124 PolarHBondContact NH1-O 2.7Å; R118-H126 PolarHBondContact NH2-O 2.91Å; R118-P127 WeakPolarHBondContact CG-O 3.24Å; R118-P127 PolarHBondContact N-O 3.11Å; R118-P127 PolarHBondContact NE-O 2.85Å; R118-P127 VanDerWaalsContact NE-O 3.13Å; R118-E129 VanDerWaalsContact CZ-O 3.24Å; R118-E129 VanDerWaalsContact NH2-C 3.26Å; R118-E129 VanDerWaalsContact NH2-CB 3.31Å; R118-E129 PolarHBondContact NH2-O 3.03Å
119N86.1Confident88.4Confident90 Ų9064.1 Ų64.148%0.48133%0.328SS..SBendtrans-84.4-31.9170.7-71.6-16000112.8V190 F192N119-V190 WeakPolarHBondContact CB-O 3.39Å; N119-V190 PolarHBondContact N-O 2.76Å; N119-F192 VanDerWaalsContact OD1-CB 3.31Å; N119-F192 WeakPolarHBondContact OD1-CB 3.32Å
120V83.4Confident88.2Confident98 Ų9861 Ų6159%0.59431%0.313SS*.SBendtrans-124.1138.9-176.2-174.20000109.6R118 Y122R118-V120 WeakPolarHBondContact CD-O 3.33Å; R118-V120 WeakPolarHBondContact CG-O 3.16Å; V120-Y122 PolarHBondContact O-N 3.13Å
121Y86.6Confident88.2Confident154 Ų15461.8 Ų61.860%0.60432%0.317SS*.  trans-63.2129173.7173.2-96.3000110.8Y124Y121-Y124 WeakPolarHBondContact CE2-O 3.13Å
122Y80.6Confident88.2Confident127 Ų12760.9 Ų60.950%0.49831%0.312SS..  trans-161.3121.5178.9-168.7-99.2000112.4R118 V120 Y124 L131R118-Y122 PolarHBondContact NH1-O 2.98Å; V120-Y122 PolarHBondContact O-N 3.13Å; Y122-Y124 PolarHBondContact O-N 3.41Å; Y122-L131 HydrophobicContact CD1-CD2 3.35Å; Y122-L131 HydrophobicContact CE1-CD2 3.38Å
123K84.4Confident88.5Confident114 Ų11461.5 Ų61.550%0.49632%0.316SS..SBendtrans57.9-40.9178.3-70.4-176.4-176.4-178.60118.4E227K123-E227 WeakPolarHBondContact CD-OE1 3.45Å; K123-E227 IonicContact NZ-OE1 2.88Å; K123-E227 PolarHBondContact NZ-OE1 3.19Å; K123-E227 IonicContact NZ-OE2 2.6Å; K123-E227 PolarHBondContact NZ-OE2 2.71Å
124Y87.8Confident88.9Confident29 Ų2958.2 Ų58.211%0.11429%0.285CS..  trans-110.9144-169-67.7-82.8000110.8R118 Y121 Y122 E129 L131 V168R118-Y124 PolarHBondContact NH1-O 2.7Å; Y121-Y124 WeakPolarHBondContact CE2-O 3.13Å; Y122-Y124 PolarHBondContact O-N 3.41Å; Y124-E129 WeakPolarHBondContact CB-OE2 3.49Å; Y124-E129 HydrophobicContact CD1-CB 4.41Å; Y124-E129 HydrophobicContact CG-CB 4.24Å; Y124-L131 HydrophobicContact CE2-CD1 4.41Å; Y124-V168 HydrophobicContact CE1-CG2 4.39Å; Y124-V168 HydrophobicContact CE2-CG1 4.38Å; Y124-V168 HydrophobicContact CE2-CG2 3.7Å; Y124-V168 VanDerWaalsContact OH-CG2 3.26Å; Y124-V168 WeakPolarHBondContact OH-CG2 3.39Å
125F85.5Confident88.8Confident182 Ų18257.9 Ų57.980%0.79828%0.283SS*.SBendtrans-78.6-40.6-171-77.2-87.3000112.8
126H91.1Very high88.8Confident74 Ų7456.5 Ų56.534%0.34327%0.272SS..SBendtrans-87.2128.2-173.3-168.4-83.1000110.6R118 K128 E129 F171R118-H126 PolarHBondContact NH2-O 2.91Å; H126-K128 VanDerWaalsContact CE1-CG 3.46Å; H126-K128 WeakPolarHBondContact CE1-CG 3.43Å; H126-K128 WeakPolarHBondContact ND1-CB 3.44Å; H126-K128 PolarHBondContact ND1-N 2.75Å; H126-K128 VanDerWaalsContact ND1-N 3.17Å; H126-K128 PolarHBondContact O-N 2.67Å; H126-E129 HydrophobicContact CB-CG 3.99Å; H126-E129 PolarHBondContact N-OE2 2.85Å; H126-E129 WeakPolarHBondContact O-CB 3.35Å; H126-E129 PolarHBondContact O-N 3.35Å; H126-F171 HydrophobicContact CB-CZ 4.37Å; H126-F171 AromaticContact CE1-CE1 3.37Å; H126-F171 WeakPolarHBondContact CE1-CE1 2.84Å; H126-F171 AromaticContact CE1-CZ 3.95Å; H126-F171 AromaticContact CG-CZ 3.82Å; H126-F171 AromaticContact ND1-CE1 3.47Å; H126-F171 WeakPolarHBondContact ND1-CE1 3.38Å; H126-F171 AromaticContact ND1-CZ 3.64Å; H126-F171 AromaticContact NE2-CE1 3.86Å
127P90.4Very high88.6Confident73 Ų7356.9 Ų56.947%0.47427%0.273SS..THydrogen-bonded Turntrans-53.2-31.8-176.5-29.535.7000114.5R118 E129R118-P127 WeakPolarHBondContact CG-O 3.24Å; R118-P127 PolarHBondContact N-O 3.11Å; R118-P127 PolarHBondContact NE-O 2.85Å; R118-P127 VanDerWaalsContact NE-O 3.13Å; P127-E129 VanDerWaalsContact C-N 3.34Å; P127-E129 PolarHBondContact O-N 2.87Å
128K93.3Very high88.4Confident58 Ų5854.8 Ų54.825%0.25226%0.261SS..THydrogen-bonded Turntrans-80.3-2.4178.5-52-174.7-172.9176.70115.7E89 A115 V117 H126 A130 P170 F171E89-K128 IonicContact OE1-NZ 2.65Å; E89-K128 PolarHBondContact OE1-NZ 3.33Å; E89-K128 WeakPolarHBondContact OE2-CD 3.39Å; E89-K128 VanDerWaalsContact OE2-CE 3.29Å; E89-K128 WeakPolarHBondContact OE2-CE 3.45Å; E89-K128 IonicContact OE2-NZ 3.61Å; E89-K128 PolarHBondContact OE2-NZ 2.9Å; A115-K128 HydrophobicContact CB-CD 4.28Å; V117-K128 HydrophobicContact CG1-CG 3.93Å; H126-K128 VanDerWaalsContact CE1-CG 3.46Å; H126-K128 WeakPolarHBondContact CE1-CG 3.43Å; H126-K128 WeakPolarHBondContact ND1-CB 3.44Å; H126-K128 PolarHBondContact ND1-N 2.75Å; H126-K128 VanDerWaalsContact ND1-N 3.17Å; H126-K128 PolarHBondContact O-N 2.67Å; K128-A130 PolarHBondContact O-N 2.94Å; K128-A130 VanDerWaalsContact O-N 3.11Å; K128-P170 CarbonylContact O-C 3.37Å; K128-P170 WeakPolarHBondContact O-CA 3.31Å; K128-F171 HydrophobicContact CB-CD1 3.97Å; K128-F171 HydrophobicContact CB-CE1 4.21Å; K128-F171 HydrophobicContact CD-CD1 4.06Å; K128-F171 HydrophobicContact CD-CE1 4.41Å; K128-F171 PolarHBondContact O-N 3.3Å
129E92.5Very high88.2Confident26 Ų2656.5 Ų56.512%0.12127%0.267CS..EExtended strand (participates in β ladder)trans-83.459.3168.6-67166.7162.800109.6R118 Y124 H126 P127 L131 P170 F171 Y223R118-E129 VanDerWaalsContact CZ-O 3.24Å; R118-E129 VanDerWaalsContact NH2-C 3.26Å; R118-E129 VanDerWaalsContact NH2-CB 3.31Å; R118-E129 PolarHBondContact NH2-O 3.03Å; Y124-E129 WeakPolarHBondContact CB-OE2 3.49Å; Y124-E129 HydrophobicContact CD1-CB 4.41Å; Y124-E129 HydrophobicContact CG-CB 4.24Å; H126-E129 HydrophobicContact CB-CG 3.99Å; H126-E129 PolarHBondContact N-OE2 2.85Å; H126-E129 WeakPolarHBondContact O-CB 3.35Å; H126-E129 PolarHBondContact O-N 3.35Å; P127-E129 VanDerWaalsContact C-N 3.34Å; P127-E129 PolarHBondContact O-N 2.87Å; E129-L131 PolarHBondContact O-N 3.47Å; E129-P170 HydrophobicContact CG-CB 4.3Å; E129-F171 HydrophobicContact CG-CE2 4.12Å; E129-Y223 HydrophobicContact CG-CE1 4.16Å; E129-Y223 PolarHBondContact OE1-OH 3.17Å
130A91.5Very high88.1Confident0 Ų053.7 Ų53.70%025%0.251CS..EExtended strand (participates in β ladder)trans-66.6125-167.500000111.5V116 K128 V168 Y169 C191V116-A130 HydrophobicContact CG1-CB 3.89Å; K128-A130 PolarHBondContact O-N 2.94Å; K128-A130 VanDerWaalsContact O-N 3.11Å; A130-V168 CarbonylContact O-C 3.54Å; A130-Y169 PolarHBondContact N-O 3.33Å; A130-Y169 PolarHBondContact O-N 3.13Å; A130-C191 HydrophobicContact CB-CB 4.47Å
131L92.7Very high88.2Confident16 Ų1649.2 Ų49.28%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-90119.2173.5-17771.9000109Y122 Y124 E129 T166 V168 E227Y122-L131 HydrophobicContact CD1-CD2 3.35Å; Y122-L131 HydrophobicContact CE1-CD2 3.38Å; Y124-L131 HydrophobicContact CE2-CD1 4.41Å; E129-L131 PolarHBondContact O-N 3.47Å; L131-T166 HydrophobicContact CD1-CG2 3.73Å; L131-T166 HydrophobicContact CD2-CG2 4.36Å; L131-T166 HydrophobicContact CG-CG2 4.1Å; L131-V168 HydrophobicContact CD1-CG2 3.92Å; L131-E227 HydrophobicContact CD1-CG 3.73Å
132V91.8Very high88.2Confident0 Ų042.3 Ų42.30%020%0.198CC..EExtended strand (participates in β ladder)trans-108.4113.5-179.6-174.20000109T166 F167V132-T166 WeakPolarHBondContact O-CA 3.26Å; V132-F167 HydrophobicContact CB-CD1 4.37Å; V132-F167 HydrophobicContact CB-CD2 4.23Å; V132-F167 HydrophobicContact CB-CE1 3.98Å; V132-F167 HydrophobicContact CB-CE2 3.82Å; V132-F167 HydrophobicContact CB-CG 4.5Å; V132-F167 HydrophobicContact CB-CZ 3.69Å; V132-F167 HydrophobicContact CG1-CE1 3.89Å; V132-F167 HydrophobicContact CG1-CE2 4.31Å; V132-F167 HydrophobicContact CG1-CZ 3.69Å; V132-F167 HydrophobicContact CG2-CE2 3.97Å; V132-F167 HydrophobicContact CG2-CZ 4.17Å; V132-F167 PolarHBondContact N-O 2.88Å; V132-F167 PolarHBondContact O-N 3.23Å
133S87.8Confident88.3Confident47 Ų4743.9 Ų43.933%0.32920%0.203SC..SBendtrans-99.5-21.7179.4-54.50000113.7Q163S133-Q163 WeakPolarHBondContact O-CA 3.49Å
134N87.8Confident88.1Confident28 Ų2839.8 Ų39.815%0.1519%0.191CC..SBendtrans-128.447.1-176.666.7-36.5000112.3T162 Q163 G188 S189N134-T162 CarbonylContact C-O 3.21Å; N134-T162 VanDerWaalsContact CA-O 3.22Å; N134-T162 WeakPolarHBondContact CA-O 3.38Å; N134-Q163 HydrophobicContact CB-CG 3.89Å; N134-G188 WeakPolarHBondContact OD1-CA 3.4Å; N134-S189 WeakPolarHBondContact ND2-CB 3.38Å; N134-S189 PolarHBondContact ND2-N 2.99Å; N134-S189 PolarHBondContact ND2-OG 2.83Å; N134-S189 PolarHBondContact OD1-N 3.31Å
135G86.8Confident87.7Confident0 Ų039.1 Ų39.10%019%0.192CC..  trans-102.77-171.900000115L185 S186G135-L185 CarbonylContact O-C 3.49Å; G135-L185 WeakPolarHBondContact O-CA 3.44Å; G135-S186 PolarHBondContact O-N 3.22Å
136V90.3Very high87.2Confident0 Ų033.4 Ų33.40%018%0.184CC..BIsolated β-bridgetrans-90.4112-175-174.40000110.9N138 I141 N160 T162 L165 L185V136-N138 VanDerWaalsContact CG1-O 3.29Å; V136-N138 WeakPolarHBondContact CG1-O 3.06Å; V136-I141 HydrophobicContact CG1-CB 4.12Å; V136-I141 HydrophobicContact CG1-CG2 4.4Å; V136-N160 PolarHBondContact O-ND2 2.96Å; V136-N160 VanDerWaalsContact O-ND2 3.15Å; V136-T162 PolarHBondContact N-O 2.82Å; V136-L165 HydrophobicContact CG2-CB 3.78Å; V136-L165 HydrophobicContact CG2-CD1 4.04Å; V136-L165 HydrophobicContact CG2-CG 4.32Å; V136-L185 HydrophobicContact CG2-CD2 4.15Å
137L88.5Confident86.1Confident9 Ų933.1 Ų33.15%0.04718%0.181CC..  trans-87.2-31.7-179.5-62.1176.4000113N160 A183 V184 P255 E256 I257L137-N160 PolarHBondContact O-ND2 3.27Å; L137-A183 HydrophobicContact CD1-CB 3.68Å; L137-V184 WeakPolarHBondContact CB-O 3.39Å; L137-V184 PolarHBondContact N-O 2.97Å; L137-P255 HydrophobicContact CD1-CB 4.39Å; L137-E256 HydrophobicContact CD2-CB 4.32Å; L137-E256 WeakPolarHBondContact CD2-O 3.41Å; L137-I257 HydrophobicContact CD1-CG1 4.06Å
138N87.6Confident84.4Confident0 Ų034.1 Ų34.10%019%0.186CC..SBendtrans-114.2124.3178.8-161.1-65.8000111.2V136 E140 I141 V184 N248 D251V136-N138 VanDerWaalsContact CG1-O 3.29Å; V136-N138 WeakPolarHBondContact CG1-O 3.06Å; N138-E140 PolarHBondContact O-N 3.05Å; N138-E140 VanDerWaalsContact O-N 3.12Å; N138-E140 WeakPolarHBondContact OD1-CB 3.13Å; N138-E140 PolarHBondContact OD1-N 3.16Å; N138-E140 VanDerWaalsContact OD1-N 3.13Å; N138-I141 PolarHBondContact O-N 3.25Å; N138-I141 VanDerWaalsContact O-N 3.11Å; N138-V184 HydrophobicContact CB-CG1 3.51Å; N138-N248 PolarHBondContact ND2-N 2.87Å; N138-N248 PolarHBondContact ND2-O 3.19Å; N138-N248 PolarHBondContact OD1-N 2.87Å; N138-D251 HydrophobicContact CB-CB 4.44Å
139R85.6Confident82.4Confident61 Ų6135.7 Ų35.723%0.2320%0.2CC..Hα-helixtrans-61.9-23.3-176.572.7-172.571.7-161.63.2114I141 S142 R143 I158 N160 N248 D251R139-I141 PolarHBondContact O-N 2.93Å; R139-S142 WeakPolarHBondContact O-CB 3.04Å; R139-S142 PolarHBondContact O-N 3.28Å; R139-R143 PolarHBondContact O-N 2.87Å; R139-I158 PolarHBondContact NH1-O 3.04Å; R139-I158 PolarHBondContact NH2-O 2.91Å; R139-N160 WeakPolarHBondContact CA-OD1 3.25Å; R139-N160 HydrophobicContact CB-CB 4.45Å; R139-N160 WeakPolarHBondContact CB-OD1 3.35Å; R139-N248 HydrophobicContact CG-CB 4.18Å; R139-D251 VanDerWaalsContact CG-OD2 3.29Å; R139-D251 WeakPolarHBondContact CG-OD2 3.36Å; R139-D251 IonicContact CZ-OD1 2.65Å; R139-D251 IonicContact CZ-OD2 3.58Å; R139-D251 PolarHBondContact N-OD2 3.4Å; R139-D251 IonicContact NE-OD1 3.33Å; R139-D251 PolarHBondContact NE-OD1 2.99Å; R139-D251 IonicContact NE-OD2 3.42Å; R139-D251 PolarHBondContact NE-OD2 3.17Å; R139-D251 IonicContact NH2-OD1 2.67Å; R139-D251 PolarHBondContact NH2-OD1 2.93Å; R139-D251 IonicContact NH2-OD2 2.86Å
140E84.3Confident79.7Confident31 Ų3140.9 Ų40.915%0.14523%0.234CC..Hα-helixtrans-66.8-27.4179.1-167.561.8-153.600111.9N138 S142 R143 A144 I245 Q246N138-E140 PolarHBondContact O-N 3.05Å; N138-E140 VanDerWaalsContact O-N 3.12Å; N138-E140 WeakPolarHBondContact OD1-CB 3.13Å; N138-E140 PolarHBondContact OD1-N 3.16Å; N138-E140 VanDerWaalsContact OD1-N 3.13Å; E140-S142 VanDerWaalsContact C-N 3.33Å; E140-S142 PolarHBondContact O-N 2.89Å; E140-R143 PolarHBondContact O-N 3.24Å; E140-R143 IonicContact OE2-NE 2.7Å; E140-R143 IonicContact OE2-NH1 2.82Å; E140-A144 VanDerWaalsContact O-CB 3.3Å; E140-A144 WeakPolarHBondContact O-CB 3.28Å; E140-A144 PolarHBondContact O-N 3.13Å; E140-I245 HydrophobicContact CG-CG2 3.84Å; E140-Q246 WeakPolarHBondContact CG-O 3.48Å
141I86.4Confident77.3Confident4 Ų444.4 Ų44.42%0.02127%0.27CS..Hα-helixtrans-61.3-44.7172.9-69-166.2000110.5V136 N138 R139 R143 A144 A145 L165 V184 L185 V235V136-I141 HydrophobicContact CG1-CB 4.12Å; V136-I141 HydrophobicContact CG1-CG2 4.4Å; N138-I141 PolarHBondContact O-N 3.25Å; N138-I141 VanDerWaalsContact O-N 3.11Å; R139-I141 PolarHBondContact O-N 2.93Å; I141-R143 VanDerWaalsContact C-N 3.31Å; I141-R143 PolarHBondContact O-N 3.15Å; I141-A144 PolarHBondContact O-N 2.98Å; I141-A145 VanDerWaalsContact O-CB 3.31Å; I141-A145 WeakPolarHBondContact O-CB 3.32Å; I141-A145 PolarHBondContact O-N 3.28Å; I141-L165 HydrophobicContact CG2-CD1 3.67Å; I141-V184 HydrophobicContact CD1-CB 3.6Å; I141-V184 HydrophobicContact CD1-CG1 3.15Å; I141-V184 HydrophobicContact CG1-CG1 3.65Å; I141-L185 HydrophobicContact CD1-CD2 4.14Å; I141-L185 HydrophobicContact CD1-CG 4.26Å; I141-V235 HydrophobicContact CG1-CG1 4.33Å; I141-V235 HydrophobicContact CG2-CG1 4.25Å
142S85Confident74.9Confident9 Ų947.6 Ų47.66%0.06329%0.29CS..Hα-helixtrans-63.2-40.3179.4-56.30000111.5R139 E140 A145 K147 A164R139-S142 WeakPolarHBondContact O-CB 3.04Å; R139-S142 PolarHBondContact O-N 3.28Å; E140-S142 VanDerWaalsContact C-N 3.33Å; E140-S142 PolarHBondContact O-N 2.89Å; S142-A145 PolarHBondContact O-N 2.93Å; S142-K147 PolarHBondContact O-N 3.14Å; S142-A164 VanDerWaalsContact OG-CB 3.3Å; S142-A164 WeakPolarHBondContact OG-CB 3.37Å
143R82.9Confident72.3Confident160 Ų16054 Ų5460%0.60432%0.323SS*.Hα-helixtrans-65.5-48.3175.9-174.8-179.8-73.9-178.1-6.4111.6R139 E140 I141 A145 G146R139-R143 PolarHBondContact O-N 2.87Å; E140-R143 PolarHBondContact O-N 3.24Å; E140-R143 IonicContact OE2-NE 2.7Å; E140-R143 IonicContact OE2-NH1 2.82Å; I141-R143 VanDerWaalsContact C-N 3.31Å; I141-R143 PolarHBondContact O-N 3.15Å; R143-A145 VanDerWaalsContact C-N 3.26Å; R143-A145 PolarHBondContact O-N 3.3Å; R143-G146 PolarHBondContact O-N 3.25Å
144A81.1Confident70.2Confident28 Ų2860.3 Ų60.323%0.23135%0.347CS..Hα-helixtrans-63.4-31.8178.200000112.4E140 I141 G146 V235 I245E140-A144 VanDerWaalsContact O-CB 3.3Å; E140-A144 WeakPolarHBondContact O-CB 3.28Å; E140-A144 PolarHBondContact O-N 3.13Å; I141-A144 PolarHBondContact O-N 2.98Å; A144-G146 PolarHBondContact O-N 3.48Å; A144-V235 HydrophobicContact CB-CB 4.47Å; A144-V235 HydrophobicContact CB-CG1 3.93Å; A144-V235 HydrophobicContact CB-CG2 3.79Å; A144-I245 HydrophobicContact CB-CD1 3.8Å; A144-I245 HydrophobicContact CB-CG1 4.35Å
145A79.1Confident67.9Low16 Ų1665.8 Ų65.813%0.13238%0.376CS..THydrogen-bonded Turntrans-73.6-0.4173.300000114I141 S142 R143 K147 L165 K231 V235I141-A145 VanDerWaalsContact O-CB 3.31Å; I141-A145 WeakPolarHBondContact O-CB 3.32Å; I141-A145 PolarHBondContact O-N 3.28Å; S142-A145 PolarHBondContact O-N 2.93Å; R143-A145 VanDerWaalsContact C-N 3.26Å; R143-A145 PolarHBondContact O-N 3.3Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 2.92Å; A145-L165 HydrophobicContact CB-CD1 3.95Å; A145-L165 HydrophobicContact CB-CD2 3.84Å; A145-L165 HydrophobicContact CB-CG 4.46Å; A145-K231 HydrophobicContact CB-CB 4.26Å; A145-V235 HydrophobicContact CB-CG2 3.94Å
146G74.1Confident65.8Low61 Ų6173.3 Ų73.363%0.62941%0.412SS*.THydrogen-bonded Turntrans7614.2179.400000114.1R143 A144 V148R143-G146 PolarHBondContact O-N 3.25Å; A144-G146 PolarHBondContact O-N 3.48Å; G146-V148 PolarHBondContact O-N 3.47Å
147K69.4Low63.6Low68 Ų6876.7 Ų76.730%0.29644%0.44SS..  trans-93.271.9174.8-74.8-161.9165.4-178.30110.4S142 A145 A164 L165 E228S142-K147 PolarHBondContact O-N 3.14Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 2.92Å; K147-A164 WeakPolarHBondContact CD-O 3.42Å; K147-A164 WeakPolarHBondContact CE-O 3.35Å; K147-A164 PolarHBondContact NZ-O 3.04Å; K147-L165 HydrophobicContact CD-CD2 3.78Å; K147-L165 HydrophobicContact CD-CG 4.36Å; K147-L165 HydrophobicContact CG-CD2 4.38Å; K147-E228 VanDerWaalsContact CE-CD 3.49Å; K147-E228 WeakPolarHBondContact CE-OE1 3.04Å; K147-E228 WeakPolarHBondContact CE-OE2 3.38Å; K147-E228 IonicContact NZ-OE1 3.8Å; K147-E228 PolarHBondContact NZ-OE1 2.78Å; K147-E228 IonicContact NZ-OE2 2.76Å; K147-E228 PolarHBondContact NZ-OE2 3.34Å
148V54.9Low61.7Low95 Ų9583.1 Ų83.158%0.57647%0.473SS*.  trans-84.4114.8165.3-173.30000106.7G146 T150G146-V148 PolarHBondContact O-N 3.47Å; V148-T150 VanDerWaalsContact C-N 3.26Å; V148-T150 PolarHBondContact O-N 3.45Å
149V49.8Very low60Low90 Ų9085.8 Ų85.855%0.54550%0.501SS..  trans-6892.5171.3-177.60000107.1G151 V152V149-G151 PolarHBondContact O-N 3.48Å; V149-V152 HydrophobicContact CG1-CG2 3.91Å
150T37.2Very low58.8Low136 Ų13684.1 Ų84.183%0.83450%0.496SS*.THydrogen-bonded Turntrans-77.3100.9170.232.70000107V148V148-T150 VanDerWaalsContact C-N 3.26Å; V148-T150 PolarHBondContact O-N 3.45Å
151G41.2Very low57.9Low74 Ų7486.3 Ų86.376%0.76351%0.509SS*.THydrogen-bonded Turntrans146.8-3.1172.100000118.1V149V149-G151 PolarHBondContact O-N 3.48Å
152V41.3Very low57Low82 Ų8287.6 Ų87.650%0.49752%0.517SS..SBendtrans-97125.4169.7-172.90000108V149 E156V149-V152 HydrophobicContact CG1-CG2 3.91Å; V152-E156 HydrophobicContact CG1-CB 3.91Å
153I38.3Very low56.5Low135 Ų13593.8 Ų93.869%0.69255%0.545SS*.  trans-47.8137.4176.6-61.3164.9000108.8D155 E156I153-D155 PolarHBondContact O-N 2.68Å; I153-E156 PolarHBondContact O-N 2.77Å
154E42.1Very low56Low179 Ų17986.8 Ų86.884%0.83652%0.521SS*.THydrogen-bonded Turntrans-56.2-9.6-171.1-68.1178.9149.900114.9
155D40.7Very low56.1Low143 Ų14385.5 Ų85.577%0.76551%0.51SS*.THydrogen-bonded Turntrans-84.9-14.3-179.1-69.2-30.2000115.1I153I153-D155 PolarHBondContact O-N 2.68Å
156E42.3Very low56.6Low158 Ų15886.4 Ų86.474%0.73852%0.515SS*.SBendtrans-100.70.5173-72.3-170.9166.300113.6V152 I153 I158V152-E156 HydrophobicContact CG1-CB 3.91Å; I153-E156 PolarHBondContact O-N 2.77Å; E156-I158 PolarHBondContact O-N 2.83Å
157A44.5Very low57.5Low71 Ų7183.5 Ų83.559%0.58749%0.485SS*.THydrogen-bonded Turntrans-77.620.9-173.900000115.3
158I48.5Very low58.7Low144 Ų14480.3 Ų80.374%0.73847%0.471SS*.THydrogen-bonded Turntrans-87.6-28.7179.8-57.3173000110.7R139 E156R139-I158 PolarHBondContact NH1-O 3.04Å; R139-I158 PolarHBondContact NH2-O 2.91Å; E156-I158 PolarHBondContact O-N 2.83Å
159G51.5Low60.6Low57 Ų5775.8 Ų75.859%0.58844%0.443SS*.SBendtrans-82.9141.8179.800000114.5N161G159-N161 PolarHBondContact O-N 3.46Å
160N59.8Low62.8Low26 Ų2671.5 Ų71.514%0.13942%0.417CS..  trans-68.9125.9167.9178.419.5000109.3V136 L137 R139 T162V136-N160 PolarHBondContact O-ND2 2.96Å; V136-N160 VanDerWaalsContact O-ND2 3.15Å; L137-N160 PolarHBondContact O-ND2 3.27Å; R139-N160 WeakPolarHBondContact CA-OD1 3.25Å; R139-N160 HydrophobicContact CB-CB 4.45Å; R139-N160 WeakPolarHBondContact CB-OD1 3.35Å; N160-T162 VanDerWaalsContact C-N 3.34Å; N160-T162 PolarHBondContact O-N 3.29Å
161N66.1Low65.5Low76 Ų7667 Ų6741%0.40639%0.386SS..  trans-82.183.5175.1-168.7-4.4000109.8G159 Q163 A164G159-N161 PolarHBondContact O-N 3.46Å; N161-Q163 PolarHBondContact O-N 2.72Å; N161-Q163 VanDerWaalsContact O-N 3.1Å; N161-Q163 PolarHBondContact OD1-N 2.65Å; N161-A164 HydrophobicContact CB-CB 4.45Å; N161-A164 VanDerWaalsContact O-CB 3.25Å; N161-A164 WeakPolarHBondContact O-CB 3.35Å; N161-A164 PolarHBondContact O-N 3.45Å
162T66.6Low68Low32 Ų3263.4 Ų63.420%0.19635%0.35CS..THydrogen-bonded Turntrans-57.6-23.7-179.256.30000113N134 V136 N160N134-T162 CarbonylContact C-O 3.21Å; N134-T162 VanDerWaalsContact CA-O 3.22Å; N134-T162 WeakPolarHBondContact CA-O 3.38Å; V136-T162 PolarHBondContact N-O 2.82Å; N160-T162 VanDerWaalsContact C-N 3.34Å; N160-T162 PolarHBondContact O-N 3.29Å
163Q74.8Confident70.5Confident138 Ų13859.5 Ų59.565%0.64533%0.326SS*.THydrogen-bonded Turntrans-87.53.7179.2-66.1-175.5-2.300114.8S133 N134 N161 L165S133-Q163 WeakPolarHBondContact O-CA 3.49Å; N134-Q163 HydrophobicContact CB-CG 3.89Å; N161-Q163 PolarHBondContact O-N 2.72Å; N161-Q163 VanDerWaalsContact O-N 3.1Å; N161-Q163 PolarHBondContact OD1-N 2.65Å; Q163-L165 VanDerWaalsContact C-N 3.3Å; Q163-L165 PolarHBondContact O-N 3.06Å
164A72.9Confident73.2Confident14 Ų1453.1 Ų53.112%0.11629%0.293CS..SBendtrans-61.8-36.1-173.300000113.2S142 K147 N161S142-A164 VanDerWaalsContact OG-CB 3.3Å; S142-A164 WeakPolarHBondContact OG-CB 3.37Å; K147-A164 WeakPolarHBondContact CD-O 3.42Å; K147-A164 WeakPolarHBondContact CE-O 3.35Å; K147-A164 PolarHBondContact NZ-O 3.04Å; N161-A164 HydrophobicContact CB-CB 4.45Å; N161-A164 VanDerWaalsContact O-CB 3.25Å; N161-A164 WeakPolarHBondContact O-CB 3.35Å; N161-A164 PolarHBondContact O-N 3.45Å
165L83.8Confident75.7Confident0 Ų044.6 Ų44.60%025%0.253CS..  trans-121.9134.5-176.1-69.2162.8000111.2V136 I141 A145 K147 Q163 E228 K231V136-L165 HydrophobicContact CG2-CB 3.78Å; V136-L165 HydrophobicContact CG2-CD1 4.04Å; V136-L165 HydrophobicContact CG2-CG 4.32Å; I141-L165 HydrophobicContact CG2-CD1 3.67Å; A145-L165 HydrophobicContact CB-CD1 3.95Å; A145-L165 HydrophobicContact CB-CD2 3.84Å; A145-L165 HydrophobicContact CB-CG 4.46Å; K147-L165 HydrophobicContact CD-CD2 3.78Å; K147-L165 HydrophobicContact CD-CG 4.36Å; K147-L165 HydrophobicContact CG-CD2 4.38Å; Q163-L165 VanDerWaalsContact C-N 3.3Å; Q163-L165 PolarHBondContact O-N 3.06Å; L165-E228 WeakPolarHBondContact CA-OE2 3.31Å; L165-E228 HydrophobicContact CD2-CB 4.49Å; L165-E228 WeakPolarHBondContact CD2-OE2 3.4Å; L165-K231 HydrophobicContact CD2-CD 4.43Å
166T89.8Confident78.2Confident36 Ų3639.4 Ų39.422%0.22123%0.228CC..  trans-113.3125.6174.1-61.30000109.7L131 V132 E228L131-T166 HydrophobicContact CD1-CG2 3.73Å; L131-T166 HydrophobicContact CD2-CG2 4.36Å; L131-T166 HydrophobicContact CG-CG2 4.1Å; V132-T166 WeakPolarHBondContact O-CA 3.26Å; T166-E228 PolarHBondContact N-OE2 2.94Å; T166-E228 WeakPolarHBondContact O-CB 3.47Å; T166-E228 PolarHBondContact O-N 3.45Å
167F93.1Very high80.6Confident0 Ų033.6 Ų33.60%020%0.203CC..EExtended strand (participates in β ladder)trans-141.4155.3-175.264.5-90.3000112.4V132 L185 V198 M218 N229 I232V132-F167 HydrophobicContact CB-CD1 4.37Å; V132-F167 HydrophobicContact CB-CD2 4.23Å; V132-F167 HydrophobicContact CB-CE1 3.98Å; V132-F167 HydrophobicContact CB-CE2 3.82Å; V132-F167 HydrophobicContact CB-CG 4.5Å; V132-F167 HydrophobicContact CB-CZ 3.69Å; V132-F167 HydrophobicContact CG1-CE1 3.89Å; V132-F167 HydrophobicContact CG1-CE2 4.31Å; V132-F167 HydrophobicContact CG1-CZ 3.69Å; V132-F167 HydrophobicContact CG2-CE2 3.97Å; V132-F167 HydrophobicContact CG2-CZ 4.17Å; V132-F167 PolarHBondContact N-O 2.88Å; V132-F167 PolarHBondContact O-N 3.23Å; F167-L185 HydrophobicContact CE1-CD1 4.43Å; F167-L185 HydrophobicContact CE1-CD2 4.1Å; F167-L185 HydrophobicContact CZ-CB 4.29Å; F167-L185 HydrophobicContact CZ-CD1 4.2Å; F167-L185 HydrophobicContact CZ-CD2 4.39Å; F167-V198 HydrophobicContact CZ-CG2 4.5Å; F167-M218 HydrophobicContact CB-CE 4.1Å; F167-M218 HydrophobicContact CD2-CE 3.49Å; F167-M218 VanDerWaalsContact CD2-CE 3.49Å; F167-M218 HydrophobicContact CD2-SD 4.46Å; F167-M218 HydrophobicContact CE2-CE 4.13Å; F167-M218 HydrophobicContact CG-CE 3.98Å; F167-N229 WeakPolarHBondContact CA-OD1 3.08Å; F167-N229 VanDerWaalsContact CB-OD1 3.27Å; F167-N229 WeakPolarHBondContact CB-OD1 3.38Å; F167-I232 HydrophobicContact CB-CD1 3.34Å; F167-I232 HydrophobicContact CD1-CD1 3.4Å; F167-I232 VanDerWaalsContact CD1-CD1 3.4Å; F167-I232 HydrophobicContact CD2-CD1 4.05Å; F167-I232 HydrophobicContact CE1-CD1 4.15Å; F167-I232 HydrophobicContact CG-CD1 3.33Å
168V94.2Very high82.8Confident0 Ų036.3 Ų36.30%021%0.206CC..EExtended strand (participates in β ladder)trans-95.5127.5175.1-169.70000108.6Y124 A130 L131 P170 Y223 R226 E227 N229Y124-V168 HydrophobicContact CE1-CG2 4.39Å; Y124-V168 HydrophobicContact CE2-CG1 4.38Å; Y124-V168 HydrophobicContact CE2-CG2 3.7Å; Y124-V168 VanDerWaalsContact OH-CG2 3.26Å; Y124-V168 WeakPolarHBondContact OH-CG2 3.39Å; A130-V168 CarbonylContact O-C 3.54Å; L131-V168 HydrophobicContact CD1-CG2 3.92Å; V168-P170 VanDerWaalsContact C-CD 3.44Å; V168-P170 WeakPolarHBondContact O-CD 3.25Å; V168-Y223 HydrophobicContact CG1-CD1 4.2Å; V168-R226 HydrophobicContact CG2-CB 4.26Å; V168-E227 HydrophobicContact CG2-CB 4.3Å; V168-E227 HydrophobicContact CG2-CG 3.62Å; V168-N229 PolarHBondContact N-OD1 3.19Å; V168-N229 PolarHBondContact O-ND2 3.48Å
169Y95.2Very high84.8Confident0 Ų036 Ų360%020%0.199CC..EExtended strand (participates in β ladder)trans-111.981.6175.8-169-107.5000110.7V116 A130 G172 A173 V198 L213 G214 S215 M218V116-Y169 HydrophobicContact CB-CD1 3.91Å; V116-Y169 HydrophobicContact CB-CE1 4.01Å; V116-Y169 HydrophobicContact CG1-CD1 4.15Å; V116-Y169 HydrophobicContact CG2-CD1 4.01Å; V116-Y169 HydrophobicContact CG2-CE1 3.64Å; A130-Y169 PolarHBondContact N-O 3.33Å; A130-Y169 PolarHBondContact O-N 3.13Å; Y169-G172 VanDerWaalsContact CE1-CA 3.46Å; Y169-A173 PolarHBondContact OH-O 3.21Å; Y169-V198 HydrophobicContact CD1-CG1 4.28Å; Y169-V198 HydrophobicContact CD2-CB 4.32Å; Y169-V198 HydrophobicContact CD2-CG2 4.47Å; Y169-V198 HydrophobicContact CE1-CB 4.26Å; Y169-V198 HydrophobicContact CE1-CG1 3.83Å; Y169-V198 HydrophobicContact CE2-CB 3.73Å; Y169-V198 HydrophobicContact CE2-CG1 4.19Å; Y169-V198 HydrophobicContact CE2-CG2 4.26Å; Y169-L213 HydrophobicContact CE2-CD2 3.99Å; Y169-G214 WeakPolarHBondContact OH-CA 3.22Å; Y169-G214 PolarHBondContact OH-O 2.97Å; Y169-S215 PolarHBondContact OH-N 2.66Å; Y169-M218 HydrophobicContact CD2-SD 4.06Å
170P94.4Very high86.5Confident0 Ų037.1 Ų37.10%020%0.196CC..EExtended strand (participates in β ladder)trans-83.4135.7-174.433.2-35.2000112.3K128 E129 V168 G172 S215 H217 Y223K128-P170 CarbonylContact O-C 3.37Å; K128-P170 WeakPolarHBondContact O-CA 3.31Å; E129-P170 HydrophobicContact CG-CB 4.3Å; V168-P170 VanDerWaalsContact C-CD 3.44Å; V168-P170 WeakPolarHBondContact O-CD 3.25Å; P170-G172 PolarHBondContact O-N 2.97Å; P170-G172 VanDerWaalsContact O-N 3.09Å; P170-S215 PolarHBondContact O-OG 3.36Å; P170-H217 HydrophobicContact CB-CB 4.24Å; P170-H217 HydrophobicContact CG-CB 3.69Å; P170-Y223 HydrophobicContact CB-CD1 4.18Å; P170-Y223 HydrophobicContact CB-CD2 4.3Å; P170-Y223 HydrophobicContact CB-CE1 3.86Å; P170-Y223 HydrophobicContact CB-CE2 4Å; P170-Y223 HydrophobicContact CB-CG 4.38Å; P170-Y223 HydrophobicContact CG-CD1 3.96Å; P170-Y223 HydrophobicContact CG-CD2 3.75Å; P170-Y223 HydrophobicContact CG-CE1 4.14Å; P170-Y223 HydrophobicContact CG-CE2 3.95Å; P170-Y223 HydrophobicContact CG-CG 3.76Å
171F94.4Very high88.1Confident41 Ų4136.1 Ų36.118%0.1819%0.191CC..THydrogen-bonded Turntrans4743.7170.5-56.4-82.2000113.5E89 H126 K128 E129E89-F171 HydrophobicContact CG-CB 4.24Å; E89-F171 PolarHBondContact N-O 2.91Å; H126-F171 HydrophobicContact CB-CZ 4.37Å; H126-F171 AromaticContact CE1-CE1 3.37Å; H126-F171 WeakPolarHBondContact CE1-CE1 2.84Å; H126-F171 AromaticContact CE1-CZ 3.95Å; H126-F171 AromaticContact CG-CZ 3.82Å; H126-F171 AromaticContact ND1-CE1 3.47Å; H126-F171 WeakPolarHBondContact ND1-CE1 3.38Å; H126-F171 AromaticContact ND1-CZ 3.64Å; H126-F171 AromaticContact NE2-CE1 3.86Å; K128-F171 HydrophobicContact CB-CD1 3.97Å; K128-F171 HydrophobicContact CB-CE1 4.21Å; K128-F171 HydrophobicContact CD-CD1 4.06Å; K128-F171 HydrophobicContact CD-CE1 4.41Å; K128-F171 PolarHBondContact O-N 3.3Å; E129-F171 HydrophobicContact CG-CE2 4.12Å
172G94Very high89.3Confident0 Ų033.8 Ų33.80%018%0.179CC..  trans-107.2154.5-17800000113.6V116 Y169 P170 G214V116-G172 PolarHBondContact N-O 3.46Å; Y169-G172 VanDerWaalsContact CE1-CA 3.46Å; P170-G172 PolarHBondContact O-N 2.97Å; P170-G172 VanDerWaalsContact O-N 3.09Å; G172-G214 CarbonylContact C-O 3.56Å; G172-G214 WeakPolarHBondContact CA-O 3.5Å
173A94.4Very high90.6Very high0 Ų032.3 Ų32.30%017%0.171CC..  trans-91166.6168.400000110.5G88 V110 D114 Y169 G214G88-A173 WeakPolarHBondContact O-CB 3.36Å; V110-A173 HydrophobicContact CG1-CB 3.88Å; D114-A173 VanDerWaalsContact OD1-CA 3.28Å; D114-A173 WeakPolarHBondContact OD1-CA 3.4Å; D114-A173 VanDerWaalsContact OD1-CB 3.25Å; D114-A173 WeakPolarHBondContact OD1-CB 2.94Å; Y169-A173 PolarHBondContact OH-O 3.21Å; A173-G214 PolarHBondContact N-O 3.03Å
174T94.8Very high91.4Very high0 Ų025.7 Ų25.70%014%0.14CC..  trans-94.1164.5168.473.90000111.7N111 D114 V116 T187 P193 R196 P197N111-T174 WeakPolarHBondContact CB-O 3.31Å; N111-T174 PolarHBondContact N-O 3.49Å; N111-T174 PolarHBondContact ND2-O 2.79Å; N111-T174 PolarHBondContact ND2-OG1 2.79Å; D114-T174 PolarHBondContact OD1-N 2.84Å; D114-T174 WeakPolarHBondContact OD2-CB 3.27Å; D114-T174 PolarHBondContact OD2-N 3.38Å; D114-T174 PolarHBondContact OD2-OG1 2.89Å; V116-T174 HydrophobicContact CG2-CG2 3.47Å; V116-T174 VanDerWaalsContact CG2-CG2 3.47Å; T174-T187 HydrophobicContact CG2-CG2 3.85Å; T174-P193 HydrophobicContact CG2-CG 3.68Å; T174-R196 HydrophobicContact CG2-CB 3.77Å; T174-P197 CarbonylContact C-O 3.59Å; T174-P197 WeakPolarHBondContact CA-O 3.43Å
175L94.5Very high92.4Very high0 Ų025.1 Ų25.10%014%0.135CC..EExtended strand (participates in β ladder)trans-110.5143.2179-51.6179.2000109.9M109 V110 V177 P197 V198 A200 V212M109-L175 CarbonylContact O-C 3.56Å; M109-L175 WeakPolarHBondContact O-CA 3.3Å; V110-L175 HydrophobicContact CB-CD2 4.13Å; V110-L175 HydrophobicContact CG1-CD2 4.17Å; V110-L175 HydrophobicContact CG2-CD2 3.67Å; L175-V177 HydrophobicContact CB-CG2 4Å; L175-P197 HydrophobicContact CB-CB 4.19Å; L175-P197 PolarHBondContact N-O 3.25Å; L175-P197 WeakPolarHBondContact O-CD 3.33Å; L175-V198 WeakPolarHBondContact CD1-O 3.4Å; L175-A200 HydrophobicContact CD1-CB 3.95Å; L175-V212 HydrophobicContact CD1-CB 4.38Å; L175-V212 HydrophobicContact CD1-CG1 4.17Å; L175-V212 VanDerWaalsContact CD1-O 3.32Å; L175-V212 WeakPolarHBondContact CD1-O 3.34Å; L175-V212 HydrophobicContact CD2-CG1 4.07Å
176S93.2Very high92.9Very high34 Ų3425.2 Ų25.224%0.23814%0.135CC..EExtended strand (participates in β ladder)trans-99.7119.3164.4-65.20000107.4I108 M109 N111 R196I108-S176 CarbonylContact C-O 3.45Å; I108-S176 WeakPolarHBondContact CA-O 3.22Å; M109-S176 PolarHBondContact N-O 2.82Å; M109-S176 PolarHBondContact O-N 3.49Å; N111-S176 PolarHBondContact ND2-OG 3.49Å; N111-S176 PolarHBondContact OD1-OG 2.93Å; S176-R196 PolarHBondContact OG-NH2 2.95Å
177V92.8Very high93Very high36 Ų3623.5 Ų23.522%0.21813%0.125CC..EExtended strand (participates in β ladder)trans-123.1130.2-171.8-172.80000108.8G107 L175 A181 A183 P197 A200G107-V177 CarbonylContact O-C 3.57Å; G107-V177 WeakPolarHBondContact O-CA 3.47Å; L175-V177 HydrophobicContact CB-CG2 4Å; V177-A181 HydrophobicContact CG1-CB 3.77Å; V177-A183 HydrophobicContact CB-CB 4.33Å; V177-A183 HydrophobicContact CG1-CB 4.38Å; V177-A183 HydrophobicContact CG2-CB 4.25Å; V177-P197 HydrophobicContact CG2-CB 3.8Å; V177-P197 HydrophobicContact CG2-CG 4.15Å; V177-A200 HydrophobicContact CG1-CB 4.16Å; V177-A200 HydrophobicContact CG2-CB 3.6Å
178M91.2Very high92.8Very high129 Ų12923.5 Ų23.564%0.63513%0.125SC*.  trans-133.8157.6175.461.2-179.5-68.100109.8G107 A181G107-M178 VanDerWaalsContact CA-CG 3.45Å; G107-M178 WeakPolarHBondContact O-CG 3.11Å; G107-M178 PolarHBondContact O-N 3.06Å; M178-A181 PolarHBondContact O-N 3.34Å
179K88.5Confident92.5Very high138 Ų13826.4 Ų26.460%0.615%0.145SC*.THydrogen-bonded Turntrans-57.6133.7174.9-66.6-170.5179.5-177.60108.9
180P89Confident92.1Very high79 Ų7929.4 Ų29.451%0.51316%0.163SC..THydrogen-bonded Turncis-87.9-4.420.534-37.5000117.2Y202P180-Y202 HydrophobicContact CB-CD2 4.22Å; P180-Y202 HydrophobicContact CB-CE2 3.95Å; P180-Y202 HydrophobicContact CG-CD2 3.86Å; P180-Y202 HydrophobicContact CG-CE2 3.52Å
181A91.9Very high91.8Very high6 Ų629.4 Ų29.45%0.0516%0.163CC..SBendtrans-77.8157.5177.900000112.8F106 I108 V177 M178 F201F106-A181 WeakPolarHBondContact O-CB 3.37Å; I108-A181 HydrophobicContact CD1-CB 3.73Å; I108-A181 HydrophobicContact CG1-CB 3.33Å; V177-A181 HydrophobicContact CG1-CB 3.77Å; M178-A181 PolarHBondContact O-N 3.34Å; A181-F201 WeakPolarHBondContact CA-O 3.28Å
182V92.2Very high91.6Very high26 Ų2629.6 Ų29.616%0.15816%0.164CC..EExtended strand (participates in β ladder)trans-124.3127.7-177.7178.60000109.2A200 F201 L247 A252V182-A200 CarbonylContact O-C 3.58Å; V182-A200 WeakPolarHBondContact O-CA 3.42Å; V182-F201 PolarHBondContact N-O 2.81Å; V182-F201 PolarHBondContact O-N 3.1Å; V182-L247 HydrophobicContact CB-CD1 4.37Å; V182-L247 HydrophobicContact CG1-CD1 4.32Å; V182-A252 HydrophobicContact CB-CB 4.41Å; V182-A252 HydrophobicContact CG1-CB 3.58Å; V182-A252 HydrophobicContact CG2-CB 3.89Å
183A93.1Very high91.5Very high1 Ų129.8 Ų29.81%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-78.6137.7172.800000110.3L137 V177 P197 I257L137-A183 HydrophobicContact CD1-CB 3.68Å; V177-A183 HydrophobicContact CB-CB 4.33Å; V177-A183 HydrophobicContact CG1-CB 4.38Å; V177-A183 HydrophobicContact CG2-CB 4.25Å; A183-P197 HydrophobicContact CB-CB 3.89Å; A183-P197 HydrophobicContact CB-CG 3.94Å; A183-I257 HydrophobicContact CB-CD1 3.69Å
184V92.2Very high91.2Very high0 Ų033.3 Ų33.30%018%0.184CC..EExtended strand (participates in β ladder)trans-125.5-30.6-171.8-134.90000113.3L137 N138 I141 L199 F201 L247L137-V184 WeakPolarHBondContact CB-O 3.39Å; L137-V184 PolarHBondContact N-O 2.97Å; N138-V184 HydrophobicContact CB-CG1 3.51Å; I141-V184 HydrophobicContact CD1-CB 3.6Å; I141-V184 HydrophobicContact CD1-CG1 3.15Å; I141-V184 HydrophobicContact CG1-CG1 3.65Å; V184-L199 PolarHBondContact N-O 2.5Å; V184-F201 HydrophobicContact CB-CD2 4.46Å; V184-F201 HydrophobicContact CG1-CD2 4.33Å; V184-F201 HydrophobicContact CG1-CE2 4.34Å; V184-F201 HydrophobicContact CG2-CB 3.88Å; V184-F201 HydrophobicContact CG2-CD1 4.12Å; V184-F201 HydrophobicContact CG2-CD2 3.54Å; V184-F201 HydrophobicContact CG2-CE2 4Å; V184-F201 HydrophobicContact CG2-CG 3.57Å; V184-F201 HydrophobicContact CG2-CZ 4.48Å; V184-L247 HydrophobicContact CG1-CD2 4.14Å
185L93.3Very high91Very high2 Ų235.9 Ų35.91%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-124.6149.6168-61174.4000110.5G135 V136 I141 F167 P197 V198 L199 I232G135-L185 CarbonylContact O-C 3.49Å; G135-L185 WeakPolarHBondContact O-CA 3.44Å; V136-L185 HydrophobicContact CG2-CD2 4.15Å; I141-L185 HydrophobicContact CD1-CD2 4.14Å; I141-L185 HydrophobicContact CD1-CG 4.26Å; F167-L185 HydrophobicContact CE1-CD1 4.43Å; F167-L185 HydrophobicContact CE1-CD2 4.1Å; F167-L185 HydrophobicContact CZ-CB 4.29Å; F167-L185 HydrophobicContact CZ-CD1 4.2Å; F167-L185 HydrophobicContact CZ-CD2 4.39Å; L185-P197 CarbonylContact O-C 3.55Å; L185-P197 WeakPolarHBondContact O-CA 3.33Å; L185-V198 HydrophobicContact CB-CG2 3.55Å; L185-V198 PolarHBondContact O-N 3.45Å; L185-L199 HydrophobicContact CB-CB 3.83Å; L185-L199 HydrophobicContact CD1-CB 3.99Å; L185-L199 HydrophobicContact CD1-CD2 3.69Å; L185-L199 HydrophobicContact CG-CB 4.04Å; L185-L199 HydrophobicContact CG-CD2 3.96Å; L185-L199 PolarHBondContact N-O 2.9Å; L185-L199 PolarHBondContact O-N 3.03Å; L185-I232 HydrophobicContact CD1-CD1 4.13Å; L185-I232 HydrophobicContact CD1-CG2 3.9Å
186S93.9Very high90.9Very high2 Ų237 Ų371%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-122.9171.2173.3750000112.4G135 G188 R196G135-S186 PolarHBondContact O-N 3.22Å; S186-G188 PolarHBondContact O-N 2.74Å; S186-G188 PolarHBondContact OG-N 3.26Å; S186-R196 CarbonylContact C-O 3.59Å; S186-R196 WeakPolarHBondContact CA-O 3.39Å; S186-R196 WeakPolarHBondContact CB-O 3.12Å
187T92.1Very high91Very high0 Ų035.5 Ų35.50%019%0.191CC..  trans-69.8-10.7171.352.20000113.6V116 T174 C191 P193 N195 R196 V198V116-T187 HydrophobicContact CB-CG2 4.36Å; V116-T187 HydrophobicContact CG1-CG2 3.78Å; V116-T187 HydrophobicContact CG2-CG2 3.57Å; T174-T187 HydrophobicContact CG2-CG2 3.85Å; T187-C191 VanDerWaalsContact O-CB 3.31Å; T187-C191 WeakPolarHBondContact O-CB 3.42Å; T187-C191 PolarHBondContact O-SG 2.96Å; T187-C191 VanDerWaalsContact O-SG 3.34Å; T187-P193 WeakPolarHBondContact CB-O 3.45Å; T187-P193 PolarHBondContact OG1-O 3.37Å; T187-N195 PolarHBondContact OG1-N 2.79Å; T187-R196 HydrophobicContact CG2-CB 4.33Å; T187-R196 PolarHBondContact N-O 2.91Å; T187-R196 PolarHBondContact OG1-N 2.87Å; T187-R196 PolarHBondContact OG1-O 2.92Å; T187-V198 HydrophobicContact CG2-CG1 3.43Å; T187-V198 VanDerWaalsContact CG2-CG1 3.43Å
188G89.9Confident91.1Very high0 Ų033.9 Ų33.90%018%0.181CC..  trans66.6-168.5-175.800000113.8N134 S186 N195N134-G188 WeakPolarHBondContact OD1-CA 3.4Å; S186-G188 PolarHBondContact O-N 2.74Å; S186-G188 PolarHBondContact OG-N 3.26Å; G188-N195 PolarHBondContact O-N 3.02Å; G188-N195 PolarHBondContact O-OD1 3.27Å
189S86.8Confident91.2Very high61 Ų6127.8 Ų27.843%0.42715%0.151SC..SBendtrans-92.2-3.1-174.165.20000114.5N134 L194 N195N134-S189 WeakPolarHBondContact ND2-CB 3.38Å; N134-S189 PolarHBondContact ND2-N 2.99Å; N134-S189 PolarHBondContact ND2-OG 2.83Å; N134-S189 PolarHBondContact OD1-N 3.31Å; S189-L194 VanDerWaalsContact C-CD2 3.41Å; S189-L194 WeakPolarHBondContact O-CD2 3.3Å; S189-N195 PolarHBondContact N-OD1 2.95Å
190V86.8Confident91.5Very high62 Ų6221.2 Ų21.238%0.37612%0.123SC..SBendtrans-108.4-5.5-174.8-1670000112.3N119N119-V190 WeakPolarHBondContact CB-O 3.39Å; N119-V190 PolarHBondContact N-O 2.76Å
191C89.9Confident91.8Very high1 Ų117.6 Ų17.61%0.00710%0.099CC..EExtended strand (participates in β ladder)trans-114.6154.5179.1-51.70000110.9V116 V117 A130 T187 P193 L194V116-C191 HydrophobicContact CG1-CB 3.79Å; V117-C191 CarbonylContact O-C 3.53Å; V117-C191 WeakPolarHBondContact O-CA 3.37Å; A130-C191 HydrophobicContact CB-CB 4.47Å; T187-C191 VanDerWaalsContact O-CB 3.31Å; T187-C191 WeakPolarHBondContact O-CB 3.42Å; T187-C191 PolarHBondContact O-SG 2.96Å; T187-C191 VanDerWaalsContact O-SG 3.34Å; C191-P193 CarbonylContact O-C 3.05Å; C191-L194 WeakPolarHBondContact O-CA 3.17Å; C191-L194 WeakPolarHBondContact O-CD2 3.44Å; C191-L194 PolarHBondContact O-N 2.57Å
192F89.1Confident91.8Very high44 Ų4418.6 Ų18.619%0.19310%0.102CC..EExtended strand (participates in β ladder)trans-113.2133.1174.4-174-88.8000110.3V116 V117 N119 T261 L263V116-F192 WeakPolarHBondContact CA-O 3.3Å; V117-F192 HydrophobicContact CG2-CB 3.99Å; V117-F192 HydrophobicContact CG2-CD1 4.45Å; V117-F192 PolarHBondContact N-O 3.42Å; V117-F192 PolarHBondContact O-N 2.8Å; N119-F192 VanDerWaalsContact OD1-CB 3.31Å; N119-F192 WeakPolarHBondContact OD1-CB 3.32Å; F192-T261 WeakPolarHBondContact CZ-O 3.37Å; F192-L263 HydrophobicContact CD1-CD1 3.89Å; F192-L263 HydrophobicContact CD2-CD1 4.05Å; F192-L263 HydrophobicContact CE1-CB 4.42Å; F192-L263 HydrophobicContact CE1-CD1 3.41Å; F192-L263 VanDerWaalsContact CE1-CD1 3.41Å; F192-L263 HydrophobicContact CE1-CG 3.87Å; F192-L263 HydrophobicContact CE2-CD1 3.59Å; F192-L263 HydrophobicContact CE2-CG 3.78Å; F192-L263 HydrophobicContact CG-CD1 4.21Å; F192-L263 HydrophobicContact CZ-CB 4.16Å; F192-L263 HydrophobicContact CZ-CD1 3.28Å; F192-L263 HydrophobicContact CZ-CD2 4.46Å; F192-L263 HydrophobicContact CZ-CG 3.32Å
193P90.9Very high91.6Very high4 Ų422.7 Ų22.73%0.02612%0.119CC..SBendcis-69.9146.4-3.230.8-36.7000112.6T174 T187 C191 R196 Y260T174-P193 HydrophobicContact CG2-CG 3.68Å; T187-P193 WeakPolarHBondContact CB-O 3.45Å; T187-P193 PolarHBondContact OG1-O 3.37Å; C191-P193 CarbonylContact O-C 3.05Å; P193-R196 HydrophobicContact CB-CG 3.75Å; P193-R196 HydrophobicContact CG-CB 4.22Å; P193-R196 HydrophobicContact CG-CG 3.73Å; P193-Y260 HydrophobicContact CG-CE2 4.18Å
194L89.9Confident90.9Very high74 Ų7423.2 Ų23.239%0.38713%0.125SC..THydrogen-bonded Turntrans-73.9142.1-172.2-66.9160.9000111.8S189 C191 R196S189-L194 VanDerWaalsContact C-CD2 3.41Å; S189-L194 WeakPolarHBondContact O-CD2 3.3Å; C191-L194 WeakPolarHBondContact O-CA 3.17Å; C191-L194 WeakPolarHBondContact O-CD2 3.44Å; C191-L194 PolarHBondContact O-N 2.57Å; L194-R196 PolarHBondContact O-N 3.35Å
195N90.4Very high89.8Confident55 Ų5533.4 Ų33.429%0.29417%0.169SC..THydrogen-bonded Turntrans46.238.5173.9-63.8-19.6000114.1T187 G188 S189 I257 A258T187-N195 PolarHBondContact OG1-N 2.79Å; G188-N195 PolarHBondContact O-N 3.02Å; G188-N195 PolarHBondContact O-OD1 3.27Å; S189-N195 PolarHBondContact N-OD1 2.95Å; N195-I257 WeakPolarHBondContact O-CA 3.44Å; N195-I257 WeakPolarHBondContact O-CG2 3.46Å; N195-A258 HydrophobicContact CB-CB 3.9Å; N195-A258 PolarHBondContact O-N 2.86Å
196R92.4Very high88.6Confident23 Ų2342.4 Ų42.49%0.08721%0.211CC..  trans-97.2143.9177.2-71.3-61.8-66.1175.2-5.2110.9T174 S176 S186 T187 P193 L194 A258T174-R196 HydrophobicContact CG2-CB 3.77Å; S176-R196 PolarHBondContact OG-NH2 2.95Å; S186-R196 CarbonylContact C-O 3.59Å; S186-R196 WeakPolarHBondContact CA-O 3.39Å; S186-R196 WeakPolarHBondContact CB-O 3.12Å; T187-R196 HydrophobicContact CG2-CB 4.33Å; T187-R196 PolarHBondContact N-O 2.91Å; T187-R196 PolarHBondContact OG1-N 2.87Å; T187-R196 PolarHBondContact OG1-O 2.92Å; P193-R196 HydrophobicContact CB-CG 3.75Å; P193-R196 HydrophobicContact CG-CB 4.22Å; P193-R196 HydrophobicContact CG-CG 3.73Å; L194-R196 PolarHBondContact O-N 3.35Å; R196-A258 WeakPolarHBondContact CD-O 3.22Å; R196-A258 PolarHBondContact NH1-O 3.28Å
197P94.2Very high87.8Confident2 Ų243.2 Ų43.21%0.01322%0.217CC..EExtended strand (participates in β ladder)trans-61.3140.9179.5-25.137000112.4T174 L175 V177 A183 L185 I257T174-P197 CarbonylContact C-O 3.59Å; T174-P197 WeakPolarHBondContact CA-O 3.43Å; L175-P197 HydrophobicContact CB-CB 4.19Å; L175-P197 PolarHBondContact N-O 3.25Å; L175-P197 WeakPolarHBondContact O-CD 3.33Å; V177-P197 HydrophobicContact CG2-CB 3.8Å; V177-P197 HydrophobicContact CG2-CG 4.15Å; A183-P197 HydrophobicContact CB-CB 3.89Å; A183-P197 HydrophobicContact CB-CG 3.94Å; L185-P197 CarbonylContact O-C 3.55Å; L185-P197 WeakPolarHBondContact O-CA 3.33Å; P197-I257 HydrophobicContact CG-CD1 3.65Å; P197-I257 HydrophobicContact CG-CG1 3.98Å; P197-I257 HydrophobicContact CG-CG2 3.97Å
198V94.6Very high87.5Confident2 Ų243.4 Ų43.41%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-124.5-23175.1-61.50000113.1F167 Y169 L175 L185 T187 G214F167-V198 HydrophobicContact CZ-CG2 4.5Å; Y169-V198 HydrophobicContact CD1-CG1 4.28Å; Y169-V198 HydrophobicContact CD2-CB 4.32Å; Y169-V198 HydrophobicContact CD2-CG2 4.47Å; Y169-V198 HydrophobicContact CE1-CB 4.26Å; Y169-V198 HydrophobicContact CE1-CG1 3.83Å; Y169-V198 HydrophobicContact CE2-CB 3.73Å; Y169-V198 HydrophobicContact CE2-CG1 4.19Å; Y169-V198 HydrophobicContact CE2-CG2 4.26Å; L175-V198 WeakPolarHBondContact CD1-O 3.4Å; L185-V198 HydrophobicContact CB-CG2 3.55Å; L185-V198 PolarHBondContact O-N 3.45Å; T187-V198 HydrophobicContact CG2-CG1 3.43Å; T187-V198 VanDerWaalsContact CG2-CG1 3.43Å; V198-G214 PolarHBondContact O-N 3.33Å
199L95Very high87.6Confident1 Ų144.3 Ų44.31%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-132.9128.9173.8179.569.9000108.7V184 L185 F201 V212 L213 V236V184-L199 PolarHBondContact N-O 2.5Å; L185-L199 HydrophobicContact CB-CB 3.83Å; L185-L199 HydrophobicContact CD1-CB 3.99Å; L185-L199 HydrophobicContact CD1-CD2 3.69Å; L185-L199 HydrophobicContact CG-CB 4.04Å; L185-L199 HydrophobicContact CG-CD2 3.96Å; L185-L199 PolarHBondContact N-O 2.9Å; L185-L199 PolarHBondContact O-N 3.03Å; L199-F201 HydrophobicContact CD1-CE1 4.01Å; L199-F201 HydrophobicContact CD2-CE1 3.93Å; L199-F201 HydrophobicContact CD2-CZ 4Å; L199-F201 HydrophobicContact CG-CD1 4.49Å; L199-F201 HydrophobicContact CG-CE1 3.99Å; L199-V212 WeakPolarHBondContact CA-O 3.32Å; L199-V212 WeakPolarHBondContact CD1-O 3.38Å; L199-L213 HydrophobicContact CD1-CB 3.83Å; L199-L213 HydrophobicContact CD1-CD1 4.16Å; L199-L213 HydrophobicContact CD1-CG 3.91Å; L199-V236 HydrophobicContact CD1-CG2 4.4Å; L199-V236 HydrophobicContact CD2-CG2 3.72Å
200A94.9Very high88Confident0 Ų041.5 Ų41.50%020%0.203CC..EExtended strand (participates in β ladder)trans-127.1142.7177.500000110.6I108 L175 V177 V182 A211 V212I108-A200 HydrophobicContact CD1-CB 3.82Å; I108-A200 HydrophobicContact CG1-CB 4.05Å; I108-A200 HydrophobicContact CG2-CB 4.15Å; L175-A200 HydrophobicContact CD1-CB 3.95Å; V177-A200 HydrophobicContact CG1-CB 4.16Å; V177-A200 HydrophobicContact CG2-CB 3.6Å; V182-A200 CarbonylContact O-C 3.58Å; V182-A200 WeakPolarHBondContact O-CA 3.42Å; A200-A211 WeakPolarHBondContact O-CA 3.39Å; A200-V212 PolarHBondContact N-O 3.45Å; A200-V212 PolarHBondContact O-N 2.84Å
201F94.5Very high88.4Confident3 Ų338.6 Ų38.61%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-115.7140.8175.5-73.5-11.8000110.3A181 V182 V184 L199 L210 A211 V236 W239 L247A181-F201 WeakPolarHBondContact CA-O 3.28Å; V182-F201 PolarHBondContact N-O 2.81Å; V182-F201 PolarHBondContact O-N 3.1Å; V184-F201 HydrophobicContact CB-CD2 4.46Å; V184-F201 HydrophobicContact CG1-CD2 4.33Å; V184-F201 HydrophobicContact CG1-CE2 4.34Å; V184-F201 HydrophobicContact CG2-CB 3.88Å; V184-F201 HydrophobicContact CG2-CD1 4.12Å; V184-F201 HydrophobicContact CG2-CD2 3.54Å; V184-F201 HydrophobicContact CG2-CE2 4Å; V184-F201 HydrophobicContact CG2-CG 3.57Å; V184-F201 HydrophobicContact CG2-CZ 4.48Å; L199-F201 HydrophobicContact CD1-CE1 4.01Å; L199-F201 HydrophobicContact CD2-CE1 3.93Å; L199-F201 HydrophobicContact CD2-CZ 4Å; L199-F201 HydrophobicContact CG-CD1 4.49Å; L199-F201 HydrophobicContact CG-CE1 3.99Å; F201-L210 CarbonylContact C-O 3.52Å; F201-L210 WeakPolarHBondContact CA-O 3.5Å; F201-A211 HydrophobicContact CD1-CB 3.67Å; F201-A211 HydrophobicContact CE1-CB 3.68Å; F201-V236 HydrophobicContact CE1-CG1 4.46Å; F201-V236 HydrophobicContact CE1-CG2 4.31Å; F201-V236 HydrophobicContact CZ-CG2 4.08Å; F201-W239 HydrophobicContact CB-CH2 3.51Å; F201-W239 HydrophobicContact CB-CZ2 3.63Å; F201-W239 HydrophobicContact CB-CZ3 4.05Å; F201-W239 HydrophobicContact CD1-CD2 4.34Å; F201-W239 AromaticContact CD1-CE3 3.8Å; F201-W239 HydrophobicContact CD1-CE3 3.8Å; F201-W239 HydrophobicContact CD1-CH2 4.04Å; F201-W239 AromaticContact CD1-CZ3 3.62Å; F201-W239 HydrophobicContact CD1-CZ3 3.62Å; F201-W239 AromaticContact CD2-CD2 3.6Å; F201-W239 HydrophobicContact CD2-CD2 3.6Å; F201-W239 AromaticContact CD2-CE2 3.54Å; F201-W239 AromaticContact CD2-CE3 3.92Å; F201-W239 HydrophobicContact CD2-CE3 3.92Å; F201-W239 HydrophobicContact CD2-CG 4.08Å; F201-W239 HydrophobicContact CD2-CH2 4.14Å; F201-W239 AromaticContact CD2-CZ2 3.84Å; F201-W239 HydrophobicContact CD2-CZ2 3.84Å; F201-W239 HydrophobicContact CD2-CZ3 4.17Å; F201-W239 AromaticContact CD2-NE1 3.93Å; F201-W239 HydrophobicContact CE1-CD2 4.38Å; F201-W239 AromaticContact CE1-CE3 3.86Å; F201-W239 HydrophobicContact CE1-CE3 3.86Å; F201-W239 HydrophobicContact CE1-CZ3 4.12Å; F201-W239 HydrophobicContact CE2-CB 4.26Å; F201-W239 AromaticContact CE2-CD2 3.67Å; F201-W239 HydrophobicContact CE2-CD2 3.67Å; F201-W239 AromaticContact CE2-CE3 3.99Å; F201-W239 HydrophobicContact CE2-CE3 3.99Å; F201-W239 AromaticContact CE2-CG 3.76Å; F201-W239 HydrophobicContact CE2-CG 3.76Å; F201-W239 AromaticContact CG-CD2 3.99Å; F201-W239 HydrophobicContact CG-CD2 3.99Å; F201-W239 AromaticContact CG-CE2 3.92Å; F201-W239 AromaticContact CG-CE3 3.85Å; F201-W239 HydrophobicContact CG-CE3 3.85Å; F201-W239 AromaticContact CG-CH2 3.63Å; F201-W239 HydrophobicContact CG-CH2 3.63Å; F201-W239 AromaticContact CG-CZ2 3.77Å; F201-W239 HydrophobicContact CG-CZ2 3.77Å; F201-W239 AromaticContact CG-CZ3 3.67Å; F201-W239 HydrophobicContact CG-CZ3 3.67Å; F201-W239 HydrophobicContact CZ-CB 4.42Å; F201-W239 HydrophobicContact CZ-CD2 4.07Å; F201-W239 AromaticContact CZ-CE3 3.97Å; F201-W239 HydrophobicContact CZ-CE3 3.97Å; F201-W239 HydrophobicContact CZ-CG 4.26Å; F201-L247 HydrophobicContact CB-CD1 4.26Å; F201-L247 HydrophobicContact CD2-CD1 4.13Å; F201-L247 HydrophobicContact CD2-CD2 4.07Å; F201-L247 HydrophobicContact CE2-CD2 4.44Å
202Y92.6Very high88.7Confident27 Ų2738.5 Ų38.511%0.10619%0.185CC..EExtended strand (participates in β ladder)trans-125.3128.8169.9165.9-89.1000108.6L77 F106 P180 S207 K209 L210 W239L77-Y202 HydrophobicContact CD2-CD1 4.15Å; L77-Y202 HydrophobicContact CD2-CE1 3.98Å; F106-Y202 HydrophobicContact CB-CD2 4.03Å; F106-Y202 HydrophobicContact CB-CE2 4.38Å; F106-Y202 HydrophobicContact CB-CG 4.09Å; F106-Y202 HydrophobicContact CD1-CD1 4.02Å; F106-Y202 HydrophobicContact CD1-CD2 4.3Å; F106-Y202 AromaticContact CD1-CE1 3.63Å; F106-Y202 HydrophobicContact CD1-CE1 3.63Å; F106-Y202 AromaticContact CD1-CE2 3.93Å; F106-Y202 HydrophobicContact CD1-CE2 3.93Å; F106-Y202 HydrophobicContact CD1-CG 4.33Å; F106-Y202 AromaticContact CD1-CZ 3.58Å; F106-Y202 HydrophobicContact CE1-CE1 4.1Å; F106-Y202 HydrophobicContact CG-CD1 4.44Å; F106-Y202 HydrophobicContact CG-CE1 4.47Å; F106-Y202 HydrophobicContact CG-CG 4.5Å; P180-Y202 HydrophobicContact CB-CD2 4.22Å; P180-Y202 HydrophobicContact CB-CE2 3.95Å; P180-Y202 HydrophobicContact CG-CD2 3.86Å; P180-Y202 HydrophobicContact CG-CE2 3.52Å; Y202-S207 PolarHBondContact OH-OG 2.67Å; Y202-K209 WeakPolarHBondContact O-CA 3Å; Y202-L210 HydrophobicContact CD1-CB 4.04Å; Y202-L210 PolarHBondContact N-O 2.98Å; Y202-L210 PolarHBondContact O-N 3.42Å; Y202-W239 WeakPolarHBondContact O-CH2 3.49Å
203H88Confident89Confident113 Ų11336.5 Ų36.552%0.52318%0.176SC..EExtended strand (participates in β ladder)trans-138.5112.1175.1176.453.4000108.3W239H203-W239 HydrophobicContact CB-CZ2 4.08Å
204G78.3Confident89.2Confident12 Ų1236.3 Ų36.312%0.12418%0.175CC..  trans-89.6156.4170.500000111.5E206 S207G204-E206 VanDerWaalsContact C-N 3.25Å; G204-E206 PolarHBondContact O-N 3.08Å; G204-S207 WeakPolarHBondContact CA-OG 3.33Å; G204-S207 PolarHBondContact N-OG 3.5Å; G204-S207 PolarHBondContact O-N 3.42Å
205K68.4Low89.4Confident214 Ų21432.8 Ų32.893%0.9316%0.156SC*.SBendtrans-61.9-30.3-172.7-66.5179.6178.9178.30114
206E68.1Low89.5Confident190 Ų19030.2 Ų30.289%0.88814%0.142SC*.SBendtrans-127.24.4177.6-62.6-172.417000112.2G204G204-E206 VanDerWaalsContact C-N 3.25Å; G204-E206 PolarHBondContact O-N 3.08Å
207S76.5Confident89.5Confident20 Ų2031 Ų3114%0.1415%0.147CC..SBendtrans-108.5164.3-179.8640000111.4Y202 G204Y202-S207 PolarHBondContact OH-OG 2.67Å; G204-S207 WeakPolarHBondContact CA-OG 3.33Å; G204-S207 PolarHBondContact N-OG 3.5Å; G204-S207 PolarHBondContact O-N 3.42Å
208G85.8Confident89.5Confident4 Ų431 Ų314%0.04115%0.146CC..  trans-68177.6179.500000113.3L77 G81L77-G208 WeakPolarHBondContact O-CA 3.38Å; L77-G208 PolarHBondContact O-N 3.35Å; G81-G208 WeakPolarHBondContact O-CA 3.32Å
209K92.6Very high89.3Confident19 Ų1930.9 Ų30.98%0.08315%0.146CC..EExtended strand (participates in β ladder)trans-99.1131.2-177.9-59.4-178.7-175.1-1720110.7N82 M83 Y202 W239 L240 S242N82-K209 CarbonylContact C-O 3.36Å; N82-K209 VanDerWaalsContact CA-O 3.24Å; N82-K209 WeakPolarHBondContact CA-O 3.36Å; N82-K209 VanDerWaalsContact OD1-CB 3.3Å; N82-K209 WeakPolarHBondContact OD1-CB 3.14Å; N82-K209 PolarHBondContact OD1-N 2.6Å; M83-K209 PolarHBondContact N-O 3Å; Y202-K209 WeakPolarHBondContact O-CA 3Å; K209-W239 HydrophobicContact CB-CE3 4.4Å; K209-W239 HydrophobicContact CB-CH2 3.68Å; K209-W239 HydrophobicContact CB-CZ2 4.35Å; K209-W239 HydrophobicContact CB-CZ3 3.72Å; K209-W239 HydrophobicContact CD-CD2 4.3Å; K209-W239 HydrophobicContact CD-CE3 4.39Å; K209-W239 HydrophobicContact CD-CH2 4.31Å; K209-W239 HydrophobicContact CD-CZ2 4.21Å; K209-W239 HydrophobicContact CD-CZ3 4.4Å; K209-W239 WeakPolarHBondContact CD-O 3.32Å; K209-W239 HydrophobicContact CG-CH2 4.17Å; K209-W239 HydrophobicContact CG-CZ2 4.35Å; K209-W239 HydrophobicContact CG-CZ3 4.49Å; K209-W239 PolarHBondContact NZ-O 2.98Å; K209-L240 HydrophobicContact CB-CD2 4.01Å; K209-S242 PolarHBondContact NZ-O 3.33Å
210L94.3Very high89.1Confident2 Ų231.5 Ų31.51%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-115.7127.4173.8168.769000109.1L77 M83 V85 L103 F106 I108 F201 Y202 V212L77-L210 HydrophobicContact CD1-CB 4.04Å; L77-L210 HydrophobicContact CD2-CB 4.11Å; L77-L210 HydrophobicContact CD2-CD2 4.45Å; M83-L210 HydrophobicContact CB-CD1 3.68Å; M83-L210 WeakPolarHBondContact O-CA 3.41Å; V85-L210 HydrophobicContact CG2-CD1 4.03Å; L103-L210 HydrophobicContact CD2-CD1 4.35Å; L103-L210 HydrophobicContact CD2-CD2 4.06Å; F106-L210 HydrophobicContact CB-CD2 3.95Å; F106-L210 HydrophobicContact CD2-CD2 3.69Å; F106-L210 HydrophobicContact CE2-CD2 4.48Å; F106-L210 HydrophobicContact CG-CD2 3.9Å; I108-L210 HydrophobicContact CD1-CD2 4.43Å; F201-L210 CarbonylContact C-O 3.52Å; F201-L210 WeakPolarHBondContact CA-O 3.5Å; Y202-L210 HydrophobicContact CD1-CB 4.04Å; Y202-L210 PolarHBondContact N-O 2.98Å; Y202-L210 PolarHBondContact O-N 3.42Å; L210-V212 HydrophobicContact CD1-CG2 4.16Å; L210-V212 HydrophobicContact CD2-CG2 4.33Å; L210-V212 HydrophobicContact CG-CG2 4.07Å
211A95.6Very high88.8Confident0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-116.8131.1170.400000109.6M83 L84 V85 A200 F201 V236 W239 L240M83-A211 PolarHBondContact O-N 3.31Å; L84-A211 WeakPolarHBondContact CA-O 3.16Å; L84-A211 HydrophobicContact CD1-CB 3.81Å; V85-A211 PolarHBondContact N-O 3.11Å; A200-A211 WeakPolarHBondContact O-CA 3.39Å; F201-A211 HydrophobicContact CD1-CB 3.67Å; F201-A211 HydrophobicContact CE1-CB 3.68Å; A211-V236 HydrophobicContact CB-CG1 4.38Å; A211-W239 HydrophobicContact CB-CZ3 4.11Å; A211-L240 HydrophobicContact CB-CD1 4.14Å; A211-L240 HydrophobicContact CB-CD2 3.99Å; A211-L240 HydrophobicContact CB-CG 4.32Å
212V96.3Very high88.6Confident0 Ų039.5 Ų39.50%019%0.189CC..EExtended strand (participates in β ladder)trans-121.4125.7178.4-176.40000109.2V85 L103 I108 V110 L175 L199 A200 L210V85-V212 HydrophobicContact CB-CG2 4.45Å; V85-V212 CarbonylContact O-C 3.57Å; V85-V212 VanDerWaalsContact O-CA 3.32Å; V85-V212 WeakPolarHBondContact O-CA 3.39Å; L103-V212 HydrophobicContact CD1-CG1 3.98Å; L103-V212 HydrophobicContact CD1-CG2 4.25Å; L103-V212 HydrophobicContact CD2-CG2 3.69Å; I108-V212 HydrophobicContact CB-CG2 4.34Å; I108-V212 HydrophobicContact CD1-CB 4.25Å; I108-V212 HydrophobicContact CD1-CG2 3.66Å; I108-V212 HydrophobicContact CG2-CB 3.86Å; I108-V212 HydrophobicContact CG2-CG1 3.92Å; I108-V212 HydrophobicContact CG2-CG2 3.9Å; V110-V212 HydrophobicContact CG2-CG1 4.12Å; L175-V212 HydrophobicContact CD1-CB 4.38Å; L175-V212 HydrophobicContact CD1-CG1 4.17Å; L175-V212 VanDerWaalsContact CD1-O 3.32Å; L175-V212 WeakPolarHBondContact CD1-O 3.34Å; L175-V212 HydrophobicContact CD2-CG1 4.07Å; L199-V212 WeakPolarHBondContact CA-O 3.32Å; L199-V212 WeakPolarHBondContact CD1-O 3.38Å; A200-V212 PolarHBondContact N-O 3.45Å; A200-V212 PolarHBondContact O-N 2.84Å; L210-V212 HydrophobicContact CD1-CG2 4.16Å; L210-V212 HydrophobicContact CD2-CG2 4.33Å; L210-V212 HydrophobicContact CG-CG2 4.07Å
213L96.1Very high88.5Confident2 Ų238.6 Ų38.61%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-124.5126.5-178.7-159.5170.7000109.5V85 M86 L87 Y169 L199 S215 M218 F219V85-L213 PolarHBondContact O-N 3.38Å; M86-L213 VanDerWaalsContact CA-O 3.28Å; M86-L213 WeakPolarHBondContact CA-O 3.19Å; M86-L213 HydrophobicContact CG-CB 4.14Å; L87-L213 PolarHBondContact N-O 3.08Å; Y169-L213 HydrophobicContact CE2-CD2 3.99Å; L199-L213 HydrophobicContact CD1-CB 3.83Å; L199-L213 HydrophobicContact CD1-CD1 4.16Å; L199-L213 HydrophobicContact CD1-CG 3.91Å; L213-S215 WeakPolarHBondContact CD2-O 3.47Å; L213-S215 PolarHBondContact O-N 3.03Å; L213-M218 HydrophobicContact CD1-SD 4.15Å; L213-M218 HydrophobicContact CD2-CB 4.43Å; L213-M218 HydrophobicContact CD2-SD 4.2Å; L213-F219 HydrophobicContact CD1-CD2 4.14Å; L213-F219 HydrophobicContact CD1-CE1 4.33Å; L213-F219 HydrophobicContact CD1-CE2 3.36Å; L213-F219 HydrophobicContact CD1-CZ 3.48Å; L213-F219 VanDerWaalsContact CD1-CZ 3.48Å
214G94.3Very high88.5Confident0 Ų033.2 Ų33.20%016%0.161CC..SBendtrans-76.94.2-177.100000115.9L87 G88 Y169 G172 A173 V198L87-G214 CarbonylContact C-O 3.58Å; L87-G214 CarbonylContact O-C 3.57Å; G88-G214 WeakPolarHBondContact CA-O 3.27Å; Y169-G214 WeakPolarHBondContact OH-CA 3.22Å; Y169-G214 PolarHBondContact OH-O 2.97Å; G172-G214 CarbonylContact C-O 3.56Å; G172-G214 WeakPolarHBondContact CA-O 3.5Å; A173-G214 PolarHBondContact N-O 3.03Å; V198-G214 PolarHBondContact O-N 3.33Å
215S94.6Very high89Confident0 Ų038.2 Ų38.20%019%0.185CC..  trans-136.9105.7177176.70000113.2L87 Y169 P170 L213 H217 M218L87-S215 CarbonylContact O-C 3.57Å; L87-S215 WeakPolarHBondContact O-CA 3.23Å; L87-S215 PolarHBondContact O-N 3.44Å; Y169-S215 PolarHBondContact OH-N 2.66Å; P170-S215 PolarHBondContact O-OG 3.36Å; L213-S215 WeakPolarHBondContact CD2-O 3.47Å; L213-S215 PolarHBondContact O-N 3.03Å; S215-H217 PolarHBondContact O-N 3.37Å; S215-H217 PolarHBondContact OG-N 3.3Å; S215-M218 WeakPolarHBondContact O-CB 3.5Å; S215-M218 PolarHBondContact O-N 3.41Å; S215-M218 PolarHBondContact OG-N 3.41Å; S215-M218 VanDerWaalsContact OG-N 3.13Å
216C92.6Very high90Very high0 Ų034.6 Ų34.60%017%0.165CC..THydrogen-bonded Turntrans-68.4-21.3170.359.10000112.5F19 Y25 M86 L87F19-C216 HydrophobicContact CD2-CB 3.92Å; F19-C216 HydrophobicContact CE2-CB 4.2Å; Y25-C216 PolarHBondContact OH-O 2.96Å; M86-C216 HydrophobicContact CB-CB 4.07Å; L87-C216 PolarHBondContact O-N 3.28Å
217H92.9Very high91Very high40 Ų4028.8 Ų28.819%0.18514%0.138CC..THydrogen-bonded Turntrans-76.4-23.4178.7-71.4-88.9000112.9F19 P170 S215 F219 C220 Y223F19-H217 AromaticContact CE2-CE1 3.9Å; F19-H217 AromaticContact CE2-ND1 3.82Å; F19-H217 AromaticContact CZ-CE1 3.64Å; F19-H217 AromaticContact CZ-ND1 3.56Å; P170-H217 HydrophobicContact CB-CB 4.24Å; P170-H217 HydrophobicContact CG-CB 3.69Å; S215-H217 PolarHBondContact O-N 3.37Å; S215-H217 PolarHBondContact OG-N 3.3Å; H217-F219 PolarHBondContact O-N 3.01Å; H217-C220 VanDerWaalsContact O-CB 3.26Å; H217-C220 WeakPolarHBondContact O-CB 3.37Å; H217-C220 PolarHBondContact O-N 2.87Å; H217-Y223 VanDerWaalsContact O-CD2 3.32Å; H217-Y223 WeakPolarHBondContact O-CD2 3.22Å
218M92.8Very high91.6Very high1 Ų129.3 Ų29.31%0.00514%0.138CC..THydrogen-bonded Turntrans-56.6-36.8-178.2-174.9174.9179.900113.2F167 Y169 L213 S215 N229 I232F167-M218 HydrophobicContact CB-CE 4.1Å; F167-M218 HydrophobicContact CD2-CE 3.49Å; F167-M218 VanDerWaalsContact CD2-CE 3.49Å; F167-M218 HydrophobicContact CD2-SD 4.46Å; F167-M218 HydrophobicContact CE2-CE 4.13Å; F167-M218 HydrophobicContact CG-CE 3.98Å; Y169-M218 HydrophobicContact CD2-SD 4.06Å; L213-M218 HydrophobicContact CD1-SD 4.15Å; L213-M218 HydrophobicContact CD2-CB 4.43Å; L213-M218 HydrophobicContact CD2-SD 4.2Å; S215-M218 WeakPolarHBondContact O-CB 3.5Å; S215-M218 PolarHBondContact O-N 3.41Å; S215-M218 PolarHBondContact OG-N 3.41Å; S215-M218 VanDerWaalsContact OG-N 3.13Å; M218-N229 PolarHBondContact O-ND2 3.26Å; M218-N229 VanDerWaalsContact O-ND2 3.13Å; M218-I232 HydrophobicContact CE-CB 4.09Å; M218-I232 HydrophobicContact CE-CD1 3.53Å; M218-I232 HydrophobicContact CE-CG1 4.41Å; M218-I232 HydrophobicContact CE-CG2 3.77Å
219F92.1Very high91.9Very high1 Ų129.1 Ų29.10%0.00414%0.136CC..THydrogen-bonded Turntrans-100.88.7178.5-60.3-30000114.1Y25 M86 L213 H217 T224 I232 M233 V236Y25-F219 WeakPolarHBondContact CD1-O 3.48Å; Y25-F219 HydrophobicContact CE1-CB 3.98Å; Y25-F219 WeakPolarHBondContact CE1-O 3.25Å; M86-F219 HydrophobicContact SD-CD2 3.73Å; M86-F219 HydrophobicContact SD-CE2 4.26Å; L213-F219 HydrophobicContact CD1-CD2 4.14Å; L213-F219 HydrophobicContact CD1-CE1 4.33Å; L213-F219 HydrophobicContact CD1-CE2 3.36Å; L213-F219 HydrophobicContact CD1-CZ 3.48Å; L213-F219 VanDerWaalsContact CD1-CZ 3.48Å; H217-F219 PolarHBondContact O-N 3.01Å; F219-T224 VanDerWaalsContact C-OG1 3.23Å; F219-T224 PolarHBondContact O-OG1 3.38Å; F219-I232 HydrophobicContact CE1-CG2 4.29Å; F219-I232 HydrophobicContact CZ-CG2 4.33Å; F219-M233 HydrophobicContact CD1-CB 3.72Å; F219-M233 HydrophobicContact CD1-CG 3.98Å; F219-M233 HydrophobicContact CD2-CG 4.41Å; F219-M233 HydrophobicContact CE1-CB 3.54Å; F219-M233 HydrophobicContact CE1-CG 4.1Å; F219-M233 HydrophobicContact CG-CB 4.4Å; F219-M233 HydrophobicContact CG-CG 4.16Å; F219-M233 HydrophobicContact CZ-CB 4.07Å; F219-M233 HydrophobicContact CZ-CG 4.36Å; F219-V236 HydrophobicContact CZ-CG2 4.39Å
220C90.2Very high91.9Very high13 Ų1329.6 Ų29.69%0.08814%0.142CC..SBendtrans-70.1148175.2-178.40000110.2F19 G24 H217 Q222 Y223 T224F19-C220 HydrophobicContact CE1-CB 4.42Å; F19-C220 HydrophobicContact CZ-CB 4.15Å; G24-C220 CarbonylContact O-C 3.51Å; G24-C220 VanDerWaalsContact O-CA 3.31Å; G24-C220 WeakPolarHBondContact O-CA 3.3Å; H217-C220 VanDerWaalsContact O-CB 3.26Å; H217-C220 WeakPolarHBondContact O-CB 3.37Å; H217-C220 PolarHBondContact O-N 2.87Å; C220-Q222 PolarHBondContact O-N 3.29Å; C220-Y223 PolarHBondContact O-N 3.04Å; C220-T224 PolarHBondContact O-N 3.38Å; C220-T224 PolarHBondContact O-OG1 2.84Å
221D89.1Confident91.7Very high52 Ų5232.9 Ų32.928%0.27816%0.156SC..THydrogen-bonded Turntrans-49.4-26.1-179-63.7-34.2000113.6G24 K26 Y27G24-D221 PolarHBondContact O-N 3.22Å; K26-D221 WeakPolarHBondContact CB-OD2 3.45Å; K26-D221 WeakPolarHBondContact CG-OD2 3.29Å; K26-D221 PolarHBondContact N-OD1 3.3Å; K26-D221 PolarHBondContact N-OD2 3.32Å; K26-D221 VanDerWaalsContact N-OD2 3.14Å; Y27-D221 PolarHBondContact N-OD1 3.45Å
222Q89.3Confident91.5Very high120 Ų12033 Ų3356%0.56116%0.157SC*.THydrogen-bonded Turntrans-70.5-31.9176.1-176178.21.800114C220 R226C220-Q222 PolarHBondContact O-N 3.29Å; Q222-R226 WeakPolarHBondContact O-CG 3.41Å
223Y90.4Very high91.2Very high7 Ų733 Ų333%0.02716%0.157CC..THydrogen-bonded Turntrans-114.9-16.8-171.5-60.5-80.3000113.7E129 V168 P170 H217 C220 D225 R226 N229E129-Y223 HydrophobicContact CG-CE1 4.16Å; E129-Y223 PolarHBondContact OE1-OH 3.17Å; V168-Y223 HydrophobicContact CG1-CD1 4.2Å; P170-Y223 HydrophobicContact CB-CD1 4.18Å; P170-Y223 HydrophobicContact CB-CD2 4.3Å; P170-Y223 HydrophobicContact CB-CE1 3.86Å; P170-Y223 HydrophobicContact CB-CE2 4Å; P170-Y223 HydrophobicContact CB-CG 4.38Å; P170-Y223 HydrophobicContact CG-CD1 3.96Å; P170-Y223 HydrophobicContact CG-CD2 3.75Å; P170-Y223 HydrophobicContact CG-CE1 4.14Å; P170-Y223 HydrophobicContact CG-CE2 3.95Å; P170-Y223 HydrophobicContact CG-CG 3.76Å; H217-Y223 VanDerWaalsContact O-CD2 3.32Å; H217-Y223 WeakPolarHBondContact O-CD2 3.22Å; C220-Y223 PolarHBondContact O-N 3.04Å; Y223-D225 VanDerWaalsContact C-N 3.27Å; Y223-D225 PolarHBondContact O-N 3.35Å; Y223-R226 WeakPolarHBondContact O-CB 3.17Å; Y223-R226 PolarHBondContact O-N 3.12Å; Y223-N229 WeakPolarHBondContact O-CB 3.45Å; Y223-N229 PolarHBondContact O-ND2 3.46Å
224T88.8Confident90.9Very high1 Ų134.8 Ų34.81%0.00617%0.166CC..THydrogen-bonded Turntrans-60.3-36.8-179-51.40000113.1Y27 F219 C220 R226 S230 M233Y27-T224 HydrophobicContact CD1-CG2 3.39Å; Y27-T224 HydrophobicContact CE1-CG2 3.66Å; Y27-T224 HydrophobicContact CG-CG2 4.09Å; F219-T224 VanDerWaalsContact C-OG1 3.23Å; F219-T224 PolarHBondContact O-OG1 3.38Å; C220-T224 PolarHBondContact O-N 3.38Å; C220-T224 PolarHBondContact O-OG1 2.84Å; T224-R226 VanDerWaalsContact C-N 3.28Å; T224-S230 PolarHBondContact O-N 3.11Å; T224-M233 HydrophobicContact CG2-CE 4.33Å; T224-M233 HydrophobicContact CG2-SD 4.25Å
225D88.4Confident90.8Very high117 Ų11734.9 Ų34.963%0.62617%0.167SC*.THydrogen-bonded Turntrans-85.71.8177.9-65.6-29.2000112.9Y223Y223-D225 VanDerWaalsContact C-N 3.27Å; Y223-D225 PolarHBondContact O-N 3.35Å
226R88.3Confident90.6Very high138 Ų13834.9 Ų34.952%0.52117%0.167SC..SBendtrans-93.3133.5179.3-59.4-62.7-174.1174.51.2110.1V168 Q222 Y223 T224 E228 N229V168-R226 HydrophobicContact CG2-CB 4.26Å; Q222-R226 WeakPolarHBondContact O-CG 3.41Å; Y223-R226 WeakPolarHBondContact O-CB 3.17Å; Y223-R226 PolarHBondContact O-N 3.12Å; T224-R226 VanDerWaalsContact C-N 3.28Å; R226-E228 PolarHBondContact O-N 3.26Å; R226-N229 PolarHBondContact O-N 3.06Å
227E89.4Confident90.5Very high68 Ų6835.6 Ų35.632%0.31817%0.171SC..THydrogen-bonded Turntrans50.5-122.2-179.2-49.6-67.2-179.400110.8K123 L131 V168K123-E227 WeakPolarHBondContact CD-OE1 3.45Å; K123-E227 IonicContact NZ-OE1 2.88Å; K123-E227 PolarHBondContact NZ-OE1 3.19Å; K123-E227 IonicContact NZ-OE2 2.6Å; K123-E227 PolarHBondContact NZ-OE2 2.71Å; L131-E227 HydrophobicContact CD1-CG 3.73Å; V168-E227 HydrophobicContact CG2-CB 4.3Å; V168-E227 HydrophobicContact CG2-CG 3.62Å
228E90.3Very high90.3Very high30 Ų3038 Ų3814%0.1418%0.182CC..THydrogen-bonded Turntrans-118.123.2-178.8-53.4-170.812100113.7K147 L165 T166 R226 S230 K231 I232K147-E228 VanDerWaalsContact CE-CD 3.49Å; K147-E228 WeakPolarHBondContact CE-OE1 3.04Å; K147-E228 WeakPolarHBondContact CE-OE2 3.38Å; K147-E228 IonicContact NZ-OE1 3.8Å; K147-E228 PolarHBondContact NZ-OE1 2.78Å; K147-E228 IonicContact NZ-OE2 2.76Å; K147-E228 PolarHBondContact NZ-OE2 3.34Å; L165-E228 WeakPolarHBondContact CA-OE2 3.31Å; L165-E228 HydrophobicContact CD2-CB 4.49Å; L165-E228 WeakPolarHBondContact CD2-OE2 3.4Å; T166-E228 PolarHBondContact N-OE2 2.94Å; T166-E228 WeakPolarHBondContact O-CB 3.47Å; T166-E228 PolarHBondContact O-N 3.45Å; R226-E228 PolarHBondContact O-N 3.26Å; E228-S230 PolarHBondContact O-N 2.94Å; E228-K231 HydrophobicContact CB-CD 4.23Å; E228-K231 HydrophobicContact CB-CG 4.49Å; E228-K231 WeakPolarHBondContact O-CB 3.36Å; E228-K231 PolarHBondContact O-N 3.24Å; E228-K231 IonicContact OE1-NZ 3.47Å; E228-K231 PolarHBondContact OE1-NZ 2.81Å; E228-I232 PolarHBondContact O-N 2.84Å
229N92.6Very high90.2Very high0 Ų038.2 Ų38.20%018%0.183CC..Hα-helixtrans-57-34.7178.6-75.827.8000112.2F167 V168 M218 Y223 R226 K231 I232 M233F167-N229 WeakPolarHBondContact CA-OD1 3.08Å; F167-N229 VanDerWaalsContact CB-OD1 3.27Å; F167-N229 WeakPolarHBondContact CB-OD1 3.38Å; V168-N229 PolarHBondContact N-OD1 3.19Å; V168-N229 PolarHBondContact O-ND2 3.48Å; M218-N229 PolarHBondContact O-ND2 3.26Å; M218-N229 VanDerWaalsContact O-ND2 3.13Å; Y223-N229 WeakPolarHBondContact O-CB 3.45Å; Y223-N229 PolarHBondContact O-ND2 3.46Å; R226-N229 PolarHBondContact O-N 3.06Å; N229-K231 VanDerWaalsContact C-N 3.29Å; N229-K231 PolarHBondContact O-N 3.37Å; N229-I232 PolarHBondContact O-N 3.33Å; N229-M233 PolarHBondContact O-N 3.03Å
230S90.9Very high90Very high29 Ų2938.2 Ų38.220%0.20318%0.183CC..Hα-helixtrans-60.4-37.9175.7700000112.7T224 E228 M233 D234T224-S230 PolarHBondContact O-N 3.11Å; E228-S230 PolarHBondContact O-N 2.94Å; S230-M233 PolarHBondContact O-N 2.88Å; S230-D234 VanDerWaalsContact O-CG 3.31Å; S230-D234 PolarHBondContact O-N 3.38Å
231K90.4Very high89.7Confident71 Ų7138.4 Ų38.431%0.30918%0.183SC..Hα-helixtrans-70.5-41.5179.4-62.3-176.9-174.31690110.7A145 L165 E228 N229 M233 D234 V235A145-K231 HydrophobicContact CB-CB 4.26Å; L165-K231 HydrophobicContact CD2-CD 4.43Å; E228-K231 HydrophobicContact CB-CD 4.23Å; E228-K231 HydrophobicContact CB-CG 4.49Å; E228-K231 WeakPolarHBondContact O-CB 3.36Å; E228-K231 PolarHBondContact O-N 3.24Å; E228-K231 IonicContact OE1-NZ 3.47Å; E228-K231 PolarHBondContact OE1-NZ 2.81Å; N229-K231 VanDerWaalsContact C-N 3.29Å; N229-K231 PolarHBondContact O-N 3.37Å; K231-M233 VanDerWaalsContact C-N 3.32Å; K231-M233 PolarHBondContact O-N 2.81Å; K231-D234 PolarHBondContact O-N 3.43Å; K231-V235 WeakPolarHBondContact O-CG2 3.48Å; K231-V235 PolarHBondContact O-N 3.4Å
232I91.4Very high89.1Confident2 Ų238.2 Ų38.21%0.0119%0.185CC..Hα-helixtrans-62.2-43.7176-64.7178.2000110.5F167 L185 M218 F219 E228 N229 D234 V235 V236F167-I232 HydrophobicContact CB-CD1 3.34Å; F167-I232 HydrophobicContact CD1-CD1 3.4Å; F167-I232 VanDerWaalsContact CD1-CD1 3.4Å; F167-I232 HydrophobicContact CD2-CD1 4.05Å; F167-I232 HydrophobicContact CE1-CD1 4.15Å; F167-I232 HydrophobicContact CG-CD1 3.33Å; L185-I232 HydrophobicContact CD1-CD1 4.13Å; L185-I232 HydrophobicContact CD1-CG2 3.9Å; M218-I232 HydrophobicContact CE-CB 4.09Å; M218-I232 HydrophobicContact CE-CD1 3.53Å; M218-I232 HydrophobicContact CE-CG1 4.41Å; M218-I232 HydrophobicContact CE-CG2 3.77Å; F219-I232 HydrophobicContact CE1-CG2 4.29Å; F219-I232 HydrophobicContact CZ-CG2 4.33Å; E228-I232 PolarHBondContact O-N 2.84Å; N229-I232 PolarHBondContact O-N 3.33Å; I232-D234 VanDerWaalsContact C-N 3.33Å; I232-D234 PolarHBondContact O-N 3.42Å; I232-V235 PolarHBondContact O-N 2.93Å; I232-V236 HydrophobicContact CG2-CG2 4.28Å; I232-V236 VanDerWaalsContact O-CG2 3.3Å; I232-V236 WeakPolarHBondContact O-CG2 3.13Å; I232-V236 PolarHBondContact O-N 3.18Å
233M91.3Very high88.1Confident0 Ų040.4 Ų40.40%020%0.196CC..Hα-helixtrans-58.4-46.5174.7-171.7-169.46500111.3Y27 M28 R31 F219 T224 N229 S230 K231 V235 V236 L237Y27-M233 HydrophobicContact CD1-CE 3.74Å; Y27-M233 HydrophobicContact CD1-SD 4.43Å; Y27-M233 HydrophobicContact CE1-CE 3.59Å; M28-M233 HydrophobicContact CB-SD 3.87Å; M28-M233 HydrophobicContact CG-SD 3.89Å; R31-M233 HydrophobicContact CG-CE 4.24Å; F219-M233 HydrophobicContact CD1-CB 3.72Å; F219-M233 HydrophobicContact CD1-CG 3.98Å; F219-M233 HydrophobicContact CD2-CG 4.41Å; F219-M233 HydrophobicContact CE1-CB 3.54Å; F219-M233 HydrophobicContact CE1-CG 4.1Å; F219-M233 HydrophobicContact CG-CB 4.4Å; F219-M233 HydrophobicContact CG-CG 4.16Å; F219-M233 HydrophobicContact CZ-CB 4.07Å; F219-M233 HydrophobicContact CZ-CG 4.36Å; T224-M233 HydrophobicContact CG2-CE 4.33Å; T224-M233 HydrophobicContact CG2-SD 4.25Å; N229-M233 PolarHBondContact O-N 3.03Å; S230-M233 PolarHBondContact O-N 2.88Å; K231-M233 VanDerWaalsContact C-N 3.32Å; K231-M233 PolarHBondContact O-N 2.81Å; M233-V235 PolarHBondContact O-N 3.04Å; M233-V236 PolarHBondContact O-N 3.48Å; M233-L237 HydrophobicContact CG-CD1 3.98Å; M233-L237 HydrophobicContact CG-CG 4.48Å; M233-L237 WeakPolarHBondContact O-CB 3.31Å; M233-L237 VanDerWaalsContact O-CG 3.29Å; M233-L237 WeakPolarHBondContact O-CG 3.18Å; M233-L237 PolarHBondContact O-N 2.82Å
234D89.6Confident86.9Confident40 Ų4047 Ų4721%0.21423%0.232CC..Hα-helixtrans-61.4-42.9178.3-74.2-18.5000111.1R31 S230 K231 I232 L237 Q238R31-D234 IonicContact CZ-OD2 3.18Å; R31-D234 IonicContact NH1-OD1 3.16Å; R31-D234 IonicContact NH1-OD2 3.94Å; R31-D234 PolarHBondContact NH1-OD2 3.43Å; R31-D234 VanDerWaalsContact NH1-OD2 3.16Å; S230-D234 VanDerWaalsContact O-CG 3.31Å; S230-D234 PolarHBondContact O-N 3.38Å; K231-D234 PolarHBondContact O-N 3.43Å; I232-D234 VanDerWaalsContact C-N 3.33Å; I232-D234 PolarHBondContact O-N 3.42Å; D234-L237 PolarHBondContact O-N 3.25Å; D234-Q238 VanDerWaalsContact O-CB 3.26Å; D234-Q238 WeakPolarHBondContact O-CB 3.35Å; D234-Q238 WeakPolarHBondContact O-CG 3.41Å; D234-Q238 PolarHBondContact O-N 2.87Å
235V90.8Very high86.3Confident2 Ų247.8 Ų47.81%0.01224%0.235CC..Hα-helixtrans-64.7-45.4176.91730000112.1I141 A144 A145 K231 I232 M233 L237 Q238 W239 I245I141-V235 HydrophobicContact CG1-CG1 4.33Å; I141-V235 HydrophobicContact CG2-CG1 4.25Å; A144-V235 HydrophobicContact CB-CB 4.47Å; A144-V235 HydrophobicContact CB-CG1 3.93Å; A144-V235 HydrophobicContact CB-CG2 3.79Å; A145-V235 HydrophobicContact CB-CG2 3.94Å; K231-V235 WeakPolarHBondContact O-CG2 3.48Å; K231-V235 PolarHBondContact O-N 3.4Å; I232-V235 PolarHBondContact O-N 2.93Å; M233-V235 PolarHBondContact O-N 3.04Å; V235-L237 PolarHBondContact O-N 2.62Å; V235-Q238 PolarHBondContact O-N 3.36Å; V235-W239 WeakPolarHBondContact O-CB 3.48Å; V235-W239 PolarHBondContact O-N 2.85Å; V235-I245 HydrophobicContact CG1-CD1 4.48Å
236V92Very high85.9Confident1 Ų149.9 Ų49.91%0.00624%0.241CC..Hα-helixtrans-62-45.4178.4171.80000110.7L84 L199 F201 A211 F219 I232 M233 W239 L240L84-V236 HydrophobicContact CD1-CG1 4.13Å; L199-V236 HydrophobicContact CD1-CG2 4.4Å; L199-V236 HydrophobicContact CD2-CG2 3.72Å; F201-V236 HydrophobicContact CE1-CG1 4.46Å; F201-V236 HydrophobicContact CE1-CG2 4.31Å; F201-V236 HydrophobicContact CZ-CG2 4.08Å; A211-V236 HydrophobicContact CB-CG1 4.38Å; F219-V236 HydrophobicContact CZ-CG2 4.39Å; I232-V236 HydrophobicContact CG2-CG2 4.28Å; I232-V236 VanDerWaalsContact O-CG2 3.3Å; I232-V236 WeakPolarHBondContact O-CG2 3.13Å; I232-V236 PolarHBondContact O-N 3.18Å; M233-V236 PolarHBondContact O-N 3.48Å; V236-W239 PolarHBondContact O-N 2.8Å; V236-L240 HydrophobicContact CG1-CD1 4.02Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 2.78Å
237L89.8Confident85.7Confident15 Ų1545.1 Ų45.18%0.07923%0.226CC..Hα-helixtrans-67-41178.1-70.9176.3000111.8M28 L32 L55 M233 D234 V235 W239 L240 M241M28-L237 HydrophobicContact CE-CD1 4.35Å; M28-L237 HydrophobicContact CE-CD2 3.81Å; M28-L237 HydrophobicContact CE-CG 4.46Å; M28-L237 HydrophobicContact CG-CD1 4.48Å; L32-L237 HydrophobicContact CD2-CD1 3.89Å; L32-L237 HydrophobicContact CD2-CD2 4.12Å; L32-L237 HydrophobicContact CG-CD1 4.27Å; L55-L237 HydrophobicContact CD2-CD2 4.11Å; M233-L237 HydrophobicContact CG-CD1 3.98Å; M233-L237 HydrophobicContact CG-CG 4.48Å; M233-L237 WeakPolarHBondContact O-CB 3.31Å; M233-L237 VanDerWaalsContact O-CG 3.29Å; M233-L237 WeakPolarHBondContact O-CG 3.18Å; M233-L237 PolarHBondContact O-N 2.82Å; D234-L237 PolarHBondContact O-N 3.25Å; V235-L237 PolarHBondContact O-N 2.62Å; L237-W239 VanDerWaalsContact C-N 3.34Å; L237-L240 PolarHBondContact O-N 3.32Å; L237-M241 WeakPolarHBondContact O-CB 3.5Å; L237-M241 WeakPolarHBondContact O-CG 3.46Å; L237-M241 PolarHBondContact O-N 3.22Å
238Q88.8Confident85.4Confident89 Ų8944 Ų4442%0.41622%0.223SC..Hα-helixtrans-63.2-41.4174.7-76.4173.14.800111.5D234 V235 L240 M241 S242 I245D234-Q238 VanDerWaalsContact O-CB 3.26Å; D234-Q238 WeakPolarHBondContact O-CB 3.35Å; D234-Q238 WeakPolarHBondContact O-CG 3.41Å; D234-Q238 PolarHBondContact O-N 2.87Å; V235-Q238 PolarHBondContact O-N 3.36Å; Q238-L240 PolarHBondContact O-N 2.85Å; Q238-M241 PolarHBondContact O-N 3.23Å; Q238-S242 WeakPolarHBondContact O-CA 3.45Å; Q238-S242 WeakPolarHBondContact O-CB 3.48Å; Q238-S242 PolarHBondContact O-N 3.34Å; Q238-I245 HydrophobicContact CB-CD1 3.77Å
239W90.5Very high85.1Confident6 Ų650 Ų502%0.02325%0.25CS..Hα-helixtrans-64.3-41.2178.4-179.483.1000111.9F201 Y202 H203 K209 A211 V235 V236 L237 S242 I245F201-W239 HydrophobicContact CB-CH2 3.51Å; F201-W239 HydrophobicContact CB-CZ2 3.63Å; F201-W239 HydrophobicContact CB-CZ3 4.05Å; F201-W239 HydrophobicContact CD1-CD2 4.34Å; F201-W239 AromaticContact CD1-CE3 3.8Å; F201-W239 HydrophobicContact CD1-CE3 3.8Å; F201-W239 HydrophobicContact CD1-CH2 4.04Å; F201-W239 AromaticContact CD1-CZ3 3.62Å; F201-W239 HydrophobicContact CD1-CZ3 3.62Å; F201-W239 AromaticContact CD2-CD2 3.6Å; F201-W239 HydrophobicContact CD2-CD2 3.6Å; F201-W239 AromaticContact CD2-CE2 3.54Å; F201-W239 AromaticContact CD2-CE3 3.92Å; F201-W239 HydrophobicContact CD2-CE3 3.92Å; F201-W239 HydrophobicContact CD2-CG 4.08Å; F201-W239 HydrophobicContact CD2-CH2 4.14Å; F201-W239 AromaticContact CD2-CZ2 3.84Å; F201-W239 HydrophobicContact CD2-CZ2 3.84Å; F201-W239 HydrophobicContact CD2-CZ3 4.17Å; F201-W239 AromaticContact CD2-NE1 3.93Å; F201-W239 HydrophobicContact CE1-CD2 4.38Å; F201-W239 AromaticContact CE1-CE3 3.86Å; F201-W239 HydrophobicContact CE1-CE3 3.86Å; F201-W239 HydrophobicContact CE1-CZ3 4.12Å; F201-W239 HydrophobicContact CE2-CB 4.26Å; F201-W239 AromaticContact CE2-CD2 3.67Å; F201-W239 HydrophobicContact CE2-CD2 3.67Å; F201-W239 AromaticContact CE2-CE3 3.99Å; F201-W239 HydrophobicContact CE2-CE3 3.99Å; F201-W239 AromaticContact CE2-CG 3.76Å; F201-W239 HydrophobicContact CE2-CG 3.76Å; F201-W239 AromaticContact CG-CD2 3.99Å; F201-W239 HydrophobicContact CG-CD2 3.99Å; F201-W239 AromaticContact CG-CE2 3.92Å; F201-W239 AromaticContact CG-CE3 3.85Å; F201-W239 HydrophobicContact CG-CE3 3.85Å; F201-W239 AromaticContact CG-CH2 3.63Å; F201-W239 HydrophobicContact CG-CH2 3.63Å; F201-W239 AromaticContact CG-CZ2 3.77Å; F201-W239 HydrophobicContact CG-CZ2 3.77Å; F201-W239 AromaticContact CG-CZ3 3.67Å; F201-W239 HydrophobicContact CG-CZ3 3.67Å; F201-W239 HydrophobicContact CZ-CB 4.42Å; F201-W239 HydrophobicContact CZ-CD2 4.07Å; F201-W239 AromaticContact CZ-CE3 3.97Å; F201-W239 HydrophobicContact CZ-CE3 3.97Å; F201-W239 HydrophobicContact CZ-CG 4.26Å; Y202-W239 WeakPolarHBondContact O-CH2 3.49Å; H203-W239 HydrophobicContact CB-CZ2 4.08Å; K209-W239 HydrophobicContact CB-CE3 4.4Å; K209-W239 HydrophobicContact CB-CH2 3.68Å; K209-W239 HydrophobicContact CB-CZ2 4.35Å; K209-W239 HydrophobicContact CB-CZ3 3.72Å; K209-W239 HydrophobicContact CD-CD2 4.3Å; K209-W239 HydrophobicContact CD-CE3 4.39Å; K209-W239 HydrophobicContact CD-CH2 4.31Å; K209-W239 HydrophobicContact CD-CZ2 4.21Å; K209-W239 HydrophobicContact CD-CZ3 4.4Å; K209-W239 WeakPolarHBondContact CD-O 3.32Å; K209-W239 HydrophobicContact CG-CH2 4.17Å; K209-W239 HydrophobicContact CG-CZ2 4.35Å; K209-W239 HydrophobicContact CG-CZ3 4.49Å; K209-W239 PolarHBondContact NZ-O 2.98Å; A211-W239 HydrophobicContact CB-CZ3 4.11Å; V235-W239 WeakPolarHBondContact O-CB 3.48Å; V235-W239 PolarHBondContact O-N 2.85Å; V236-W239 PolarHBondContact O-N 2.8Å; L237-W239 VanDerWaalsContact C-N 3.34Å; W239-S242 VanDerWaalsContact O-O 3.1Å; W239-I245 HydrophobicContact CB-CB 4.5Å; W239-I245 HydrophobicContact CB-CD1 4.23Å
240L88.1Confident84.6Confident2 Ų255.9 Ų55.91%0.0128%0.281CS..Hα-helixtrans-69.9-37.1175.7-70.6166.1000112.7L55 N82 L84 K209 A211 V236 L237 Q238L55-L240 HydrophobicContact CD1-CB 4.39Å; L55-L240 HydrophobicContact CD1-CD1 3.89Å; L55-L240 HydrophobicContact CD1-CD2 4.48Å; L55-L240 HydrophobicContact CD1-CG 4.49Å; L55-L240 HydrophobicContact CD2-CD1 4.42Å; N82-L240 HydrophobicContact CB-CB 4.5Å; N82-L240 HydrophobicContact CB-CD2 4.16Å; N82-L240 VanDerWaalsContact CG-O 3.27Å; N82-L240 PolarHBondContact ND2-O 2.96Å; N82-L240 VanDerWaalsContact ND2-O 3.13Å; L84-L240 HydrophobicContact CB-CD1 3.97Å; L84-L240 HydrophobicContact CD1-CD1 4.38Å; K209-L240 HydrophobicContact CB-CD2 4.01Å; A211-L240 HydrophobicContact CB-CD1 4.14Å; A211-L240 HydrophobicContact CB-CD2 3.99Å; A211-L240 HydrophobicContact CB-CG 4.32Å; V236-L240 HydrophobicContact CG1-CD1 4.02Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 2.78Å; L237-L240 PolarHBondContact O-N 3.32Å; Q238-L240 PolarHBondContact O-N 2.85Å
241M83.6Confident84.2Confident16 Ų1655.1 Ų55.18%0.07927%0.274CS..Hα-helixtrans-97.4-15.6-169.9-60.2-62.9-76.700114.2I9 W36 K54 L55 L237 Q238I9-M241 HydrophobicContact CD1-CE 3.91Å; I9-M241 HydrophobicContact CG1-CE 4.18Å; W36-M241 HydrophobicContact CD2-CE 3.46Å; W36-M241 VanDerWaalsContact CD2-CE 3.46Å; W36-M241 HydrophobicContact CE3-CE 4.02Å; W36-M241 HydrophobicContact CG-CE 3.93Å; W36-M241 HydrophobicContact CH2-CE 4.06Å; W36-M241 HydrophobicContact CZ2-CE 3.48Å; W36-M241 VanDerWaalsContact CZ2-CE 3.48Å; W36-M241 HydrophobicContact CZ3-CE 4.31Å; K54-M241 HydrophobicContact CB-CE 4.31Å; K54-M241 HydrophobicContact CD-CE 3.67Å; K54-M241 HydrophobicContact CD-SD 4.24Å; K54-M241 VanDerWaalsContact CE-O 3.3Å; K54-M241 WeakPolarHBondContact CE-O 3.36Å; K54-M241 HydrophobicContact CG-CE 3.93Å; K54-M241 HydrophobicContact CG-SD 4.04Å; K54-M241 PolarHBondContact NZ-O 2.98Å; L55-M241 HydrophobicContact CB-SD 3.74Å; L55-M241 HydrophobicContact CD2-SD 4Å; L55-M241 HydrophobicContact CG-SD 4.46Å; L237-M241 WeakPolarHBondContact O-CB 3.5Å; L237-M241 WeakPolarHBondContact O-CG 3.46Å; L237-M241 PolarHBondContact O-N 3.22Å; Q238-M241 PolarHBondContact O-N 3.23Å
242S76.9Confident83.9Confident48 Ų4852.6 Ų52.634%0.33627%0.267SS..  trans-130153.7-177.2-560000111.6K209 Q238 W239 N244K209-S242 PolarHBondContact NZ-O 3.33Å; Q238-S242 WeakPolarHBondContact O-CA 3.45Å; Q238-S242 WeakPolarHBondContact O-CB 3.48Å; Q238-S242 PolarHBondContact O-N 3.34Å; W239-S242 VanDerWaalsContact O-O 3.1Å; S242-N244 VanDerWaalsContact C-N 3.34Å
243E67.3Low83.4Confident167 Ų16759 Ų5978%0.7830%0.297SS*.SBendtrans-89.1-3175.8-68-179.8-173.100113.3I245E243-I245 VanDerWaalsContact C-N 3.28Å; E243-I245 PolarHBondContact O-N 3.37Å
244N66.1Low83Confident145 Ų14565.4 Ų65.478%0.77533%0.331SS*.  trans-70.8-20.3-169.9-61.5-11000114.3S242S242-N244 VanDerWaalsContact C-N 3.34Å
245I75.6Confident82.5Confident17 Ų1764.9 Ų64.99%0.08733%0.33CS..  trans-100.8102.5-176.2-57177.5000108.5E140 A144 V235 Q238 W239 E243E140-I245 HydrophobicContact CG-CG2 3.84Å; A144-I245 HydrophobicContact CB-CD1 3.8Å; A144-I245 HydrophobicContact CB-CG1 4.35Å; V235-I245 HydrophobicContact CG1-CD1 4.48Å; Q238-I245 HydrophobicContact CB-CD1 3.77Å; W239-I245 HydrophobicContact CB-CB 4.5Å; W239-I245 HydrophobicContact CB-CD1 4.23Å; E243-I245 VanDerWaalsContact C-N 3.28Å; E243-I245 PolarHBondContact O-N 3.37Å
246Q80.8Confident82Confident161 Ų16171 Ų7175%0.75236%0.359SS*.PPolyproline II helixtrans-100.8120.5172.1-67.9-174.7-10.400109.3E140E140-Q246 WeakPolarHBondContact CG-O 3.48Å
247L82.8Confident81.5Confident39 Ų3973.9 Ų73.920%0.20437%0.373CS..PPolyproline II helixtrans-61.8142.6179.6-62.7176.1000110.7V182 V184 F201 Q249V182-L247 HydrophobicContact CB-CD1 4.37Å; V182-L247 HydrophobicContact CG1-CD1 4.32Å; V184-L247 HydrophobicContact CG1-CD2 4.14Å; F201-L247 HydrophobicContact CB-CD1 4.26Å; F201-L247 HydrophobicContact CD2-CD1 4.13Å; F201-L247 HydrophobicContact CD2-CD2 4.07Å; F201-L247 HydrophobicContact CE2-CD2 4.44Å; L247-Q249 PolarHBondContact O-N 2.87Å
248N84.2Confident81.1Confident45 Ų4574.7 Ų74.724%0.24138%0.382CS..PPolyproline II helixtrans-63.8126.9172.3-170.8-66.1000109.5N138 R139 I250 D251 A252N138-N248 PolarHBondContact ND2-N 2.87Å; N138-N248 PolarHBondContact ND2-O 3.19Å; N138-N248 PolarHBondContact OD1-N 2.87Å; R139-N248 HydrophobicContact CG-CB 4.18Å; N248-I250 WeakPolarHBondContact OD1-CB 3.31Å; N248-I250 PolarHBondContact OD1-N 3.16Å; N248-D251 HydrophobicContact CB-CB 4.28Å; N248-D251 PolarHBondContact OD1-N 2.77Å; N248-A252 WeakPolarHBondContact O-CB 3.3Å; N248-A252 PolarHBondContact O-N 3.31Å
249Q82.9Confident80.6Confident154 Ų15477.5 Ų77.572%0.7240%0.4SS*.Hα-helixtrans-69.2-33.8-175.6-68.1-178.11.100112.9L247 A252 E253L247-Q249 PolarHBondContact O-N 2.87Å; Q249-A252 PolarHBondContact O-N 2.92Å; Q249-E253 WeakPolarHBondContact O-CB 3.4Å; Q249-E253 WeakPolarHBondContact O-CG 3.34Å; Q249-E253 PolarHBondContact O-N 2.96Å
250I83.2Confident79.9Confident124 Ų12480.9 Ų80.964%0.63641%0.413SS*.Hα-helixtrans-66.4-53.9-179.5-57.3171.6000108.9N248 A252 E253 D254N248-I250 WeakPolarHBondContact OD1-CB 3.31Å; N248-I250 PolarHBondContact OD1-N 3.16Å; I250-A252 PolarHBondContact O-N 2.93Å; I250-E253 PolarHBondContact O-N 3.35Å; I250-E253 VanDerWaalsContact O-N 3.14Å; I250-D254 PolarHBondContact O-N 2.89Å; I250-D254 VanDerWaalsContact O-N 3.12Å
251D83.1Confident79.3Confident13 Ų1385.1 Ų85.17%0.0744%0.439CS..Hα-helixtrans-64.8-23.5178.9-55.6-13.9000111.9N138 R139 N248N138-D251 HydrophobicContact CB-CB 4.44Å; R139-D251 VanDerWaalsContact CG-OD2 3.29Å; R139-D251 WeakPolarHBondContact CG-OD2 3.36Å; R139-D251 IonicContact CZ-OD1 2.65Å; R139-D251 IonicContact CZ-OD2 3.58Å; R139-D251 PolarHBondContact N-OD2 3.4Å; R139-D251 IonicContact NE-OD1 3.33Å; R139-D251 PolarHBondContact NE-OD1 2.99Å; R139-D251 IonicContact NE-OD2 3.42Å; R139-D251 PolarHBondContact NE-OD2 3.17Å; R139-D251 IonicContact NH2-OD1 2.67Å; R139-D251 PolarHBondContact NH2-OD1 2.93Å; R139-D251 IonicContact NH2-OD2 2.86Å; N248-D251 HydrophobicContact CB-CB 4.28Å; N248-D251 PolarHBondContact OD1-N 2.77Å
252A83.1Confident78.7Confident19 Ų1991.4 Ų91.416%0.15747%0.47CS..Hα-helixtrans-81.7-30.3176.100000113.6V182 N248 Q249 I250V182-A252 HydrophobicContact CB-CB 4.41Å; V182-A252 HydrophobicContact CG1-CB 3.58Å; V182-A252 HydrophobicContact CG2-CB 3.89Å; N248-A252 WeakPolarHBondContact O-CB 3.3Å; N248-A252 PolarHBondContact O-N 3.31Å; Q249-A252 PolarHBondContact O-N 2.92Å; I250-A252 PolarHBondContact O-N 2.93Å
253E81.7Confident78.4Confident135 Ų13594.6 Ų94.663%0.63148%0.483SS*.Hα-helixtrans-79.3-37.1178.6-79.4-172165.100112.6Q249 I250Q249-E253 WeakPolarHBondContact O-CB 3.4Å; Q249-E253 WeakPolarHBondContact O-CG 3.34Å; Q249-E253 PolarHBondContact O-N 2.96Å; I250-E253 PolarHBondContact O-N 3.35Å; I250-E253 VanDerWaalsContact O-N 3.14Å
254D81.4Confident78.5Confident135 Ų13590.6 Ų90.672%0.72247%0.471SS*.SBendtrans-133.674.1-179.3-165.824.5000111.8I250I250-D254 PolarHBondContact O-N 2.89Å; I250-D254 VanDerWaalsContact O-N 3.12Å
255P80.8Confident78.9Confident30 Ų3088.5 Ų88.520%0.19546%0.46CS..  trans-72.8138.9176.129.5-35000111.7L137 I257L137-P255 HydrophobicContact CD1-CB 4.39Å; P255-I257 VanDerWaalsContact C-N 3.27Å; P255-I257 HydrophobicContact CB-CD1 3.84Å; P255-I257 HydrophobicContact CB-CG1 4.05Å; P255-I257 HydrophobicContact CG-CD1 3.5Å; P255-I257 HydrophobicContact CG-CG1 4.17Å; P255-I257 PolarHBondContact O-N 3.37Å
256E79Confident78.8Confident131 Ų13193 Ų9361%0.61249%0.489SS*.  trans-68.775.2177.4-66.2-178.9-173.500112.8L137L137-E256 HydrophobicContact CD2-CB 4.32Å; L137-E256 WeakPolarHBondContact CD2-O 3.41Å
257I82.4Confident78.7Confident60 Ų6086.8 Ų86.831%0.30847%0.468SS..  trans-111.3143.2-178.7-60.4164.6000109.9L137 A183 N195 P197 P255L137-I257 HydrophobicContact CD1-CG1 4.06Å; A183-I257 HydrophobicContact CB-CD1 3.69Å; N195-I257 WeakPolarHBondContact O-CA 3.44Å; N195-I257 WeakPolarHBondContact O-CG2 3.46Å; P197-I257 HydrophobicContact CG-CD1 3.65Å; P197-I257 HydrophobicContact CG-CG1 3.98Å; P197-I257 HydrophobicContact CG-CG2 3.97Å; P255-I257 VanDerWaalsContact C-N 3.27Å; P255-I257 HydrophobicContact CB-CD1 3.84Å; P255-I257 HydrophobicContact CB-CG1 4.05Å; P255-I257 HydrophobicContact CG-CD1 3.5Å; P255-I257 HydrophobicContact CG-CG1 4.17Å; P255-I257 PolarHBondContact O-N 3.37Å
258A80.6Confident78.6Confident33 Ų3393.3 Ų93.327%0.27349%0.49SS..  trans-96.6153.7170.800000112.8N195 R196N195-A258 HydrophobicContact CB-CB 3.9Å; N195-A258 PolarHBondContact O-N 2.86Å; R196-A258 WeakPolarHBondContact CD-O 3.22Å; R196-A258 PolarHBondContact NH1-O 3.28Å
259D78.4Confident78.2Confident147 Ų14794.3 Ų94.379%0.78650%0.495SS*.  trans-63.1147.7171.2-74-31.2000111.7T261D259-T261 PolarHBondContact O-N 3.4Å
260Y76.5Confident78Confident78 Ų7891.4 Ų91.431%0.30649%0.491SS..  trans-69.9104.4-179.5-164.9-77.6000110D114 P193 M262D114-Y260 HydrophobicContact CB-CE2 4.41Å; D114-Y260 WeakPolarHBondContact CB-OH 3.3Å; P193-Y260 HydrophobicContact CG-CE2 4.18Å; Y260-M262 HydrophobicContact CD1-CG 4.1Å; Y260-M262 HydrophobicContact CD1-SD 4.15Å; Y260-M262 HydrophobicContact CE1-CG 4Å; Y260-M262 HydrophobicContact CE1-SD 3.48Å; Y260-M262 WeakPolarHBondContact CE1-SD 3.39Å
261T74.8Confident78Confident91 Ų9193 Ų9356%0.55850%0.496SS*.  trans-89.6111.1176.2-54.50000109.6F192 D259 L263F192-T261 WeakPolarHBondContact CZ-O 3.37Å; D259-T261 PolarHBondContact O-N 3.4Å; T261-L263 PolarHBondContact O-N 3.1Å
262M72Confident77.6Confident147 Ų14798.1 Ų98.172%0.72452%0.52SS*.PPolyproline II helixtrans-72117.9171-75.5-70.5-134.800109.6Y260Y260-M262 HydrophobicContact CD1-CG 4.1Å; Y260-M262 HydrophobicContact CD1-SD 4.15Å; Y260-M262 HydrophobicContact CE1-CG 4Å; Y260-M262 HydrophobicContact CE1-SD 3.48Å; Y260-M262 WeakPolarHBondContact CE1-SD 3.39Å
263L69.1Low76.8Confident116 Ų116105.1 Ų105.161%0.60755%0.553SS**PPolyproline II helixtrans-76.9127.7165.3-78172.8000108.7F192 T261F192-L263 HydrophobicContact CD1-CD1 3.89Å; F192-L263 HydrophobicContact CD2-CD1 4.05Å; F192-L263 HydrophobicContact CE1-CB 4.42Å; F192-L263 HydrophobicContact CE1-CD1 3.41Å; F192-L263 VanDerWaalsContact CE1-CD1 3.41Å; F192-L263 HydrophobicContact CE1-CG 3.87Å; F192-L263 HydrophobicContact CE2-CD1 3.59Å; F192-L263 HydrophobicContact CE2-CG 3.78Å; F192-L263 HydrophobicContact CG-CD1 4.21Å; F192-L263 HydrophobicContact CZ-CB 4.16Å; F192-L263 HydrophobicContact CZ-CD1 3.28Å; F192-L263 HydrophobicContact CZ-CD2 4.46Å; F192-L263 HydrophobicContact CZ-CG 3.32Å; T261-L263 PolarHBondContact O-N 3.1Å
264P70.6Confident75.9Confident82 Ų82109 Ų10953%0.53256%0.563SS.*PPolyproline II helixtrans-65.4146.3171.429.6-34000109.5T266 L269P264-T266 PolarHBondContact O-N 2.91Å; P264-L269 HydrophobicContact CB-CD1 3.72Å; P264-L269 HydrophobicContact CG-CD1 4.15Å
265D73.8Confident75Confident102 Ų102108.8 Ų108.855%0.54557%0.565SS.*  trans-66.195176.5-176.3-15.8000109.7G267 R268 L269D265-G267 PolarHBondContact O-N 3.45Å; D265-G267 WeakPolarHBondContact OD1-CA 3.17Å; D265-G267 PolarHBondContact OD1-N 3.31Å; D265-G267 VanDerWaalsContact OD1-N 3.08Å; D265-R268 HydrophobicContact CB-CB 3.96Å; D265-R268 VanDerWaalsContact CG-CB 3.48Å; D265-R268 PolarHBondContact O-N 3.03Å; D265-R268 PolarHBondContact OD1-N 3.06Å; D265-R268 WeakPolarHBondContact OD2-CB 3.38Å; D265-L269 WeakPolarHBondContact O-CB 3.45Å; D265-L269 VanDerWaalsContact O-CG 3.31Å; D265-L269 WeakPolarHBondContact O-CG 3.29Å; D265-L269 PolarHBondContact O-N 3.48Å
266T73.8Confident73.8Confident111 Ų111112.6 Ų112.668%0.68159%0.592SS**Hα-helixtrans-63.1-29.9-178.552.30000111.9P264 S270P264-T266 PolarHBondContact O-N 2.91Å; T266-S270 VanDerWaalsContact O-CB 3.23Å; T266-S270 WeakPolarHBondContact O-CB 3.42Å; T266-S270 PolarHBondContact O-N 3.13Å; T266-S270 PolarHBondContact O-OG 3.25Å
267G78.8Confident72.8Confident31 Ų31114.6 Ų114.632%0.3261%0.606SS.*Hα-helixtrans-64.6-54.217500000110.5D265 L269 S270 E271D265-G267 PolarHBondContact O-N 3.45Å; D265-G267 WeakPolarHBondContact OD1-CA 3.17Å; D265-G267 PolarHBondContact OD1-N 3.31Å; D265-G267 VanDerWaalsContact OD1-N 3.08Å; G267-L269 VanDerWaalsContact C-N 3.31Å; G267-L269 PolarHBondContact O-N 2.82Å; G267-S270 WeakPolarHBondContact O-CB 3.41Å; G267-S270 PolarHBondContact O-N 3.41Å; G267-S270 PolarHBondContact O-OG 3.15Å; G267-E271 PolarHBondContact O-N 3.17Å
268R79.3Confident71.4Confident176 Ų176119 Ų11966%0.66463%0.625SS**Hα-helixtrans-62.4-36.8176.5-169.3175-176.3136.31.3113D265 S270 E271 Q272D265-R268 HydrophobicContact CB-CB 3.96Å; D265-R268 VanDerWaalsContact CG-CB 3.48Å; D265-R268 PolarHBondContact O-N 3.03Å; D265-R268 PolarHBondContact OD1-N 3.06Å; D265-R268 WeakPolarHBondContact OD2-CB 3.38Å; R268-S270 VanDerWaalsContact C-N 3.31Å; R268-E271 PolarHBondContact O-N 3.06Å; R268-Q272 PolarHBondContact O-N 2.96Å
269L76.1Confident70.3Confident66 Ų66126 Ų12635%0.34665%0.652SS.*Hα-helixtrans-68.9-28.5173.6-73.5179.1000112.9P264 D265 G267P264-L269 HydrophobicContact CB-CD1 3.72Å; P264-L269 HydrophobicContact CG-CD1 4.15Å; D265-L269 WeakPolarHBondContact O-CB 3.45Å; D265-L269 VanDerWaalsContact O-CG 3.31Å; D265-L269 WeakPolarHBondContact O-CG 3.29Å; D265-L269 PolarHBondContact O-N 3.48Å; G267-L269 VanDerWaalsContact C-N 3.31Å; G267-L269 PolarHBondContact O-N 2.82Å
270S80Confident69.5Low92 Ų92122.1 Ų122.164%0.64365%0.646SS**Hα-helixtrans-76.8-29.6175.874.70000112.4T266 G267 R268 Q272T266-S270 VanDerWaalsContact O-CB 3.23Å; T266-S270 WeakPolarHBondContact O-CB 3.42Å; T266-S270 PolarHBondContact O-N 3.13Å; T266-S270 PolarHBondContact O-OG 3.25Å; G267-S270 WeakPolarHBondContact O-CB 3.41Å; G267-S270 PolarHBondContact O-N 3.41Å; G267-S270 PolarHBondContact O-OG 3.15Å; R268-S270 VanDerWaalsContact C-N 3.31Å; S270-Q272 VanDerWaalsContact C-N 3.29Å
271E82.6Confident69Low158 Ų158124.7 Ų124.774%0.73867%0.666SS**Hα-helixtrans-73.8-20.6173.1-70.2178.4176.700112.7G267 R268 L273G267-E271 PolarHBondContact O-N 3.17Å; R268-E271 PolarHBondContact O-N 3.06Å; E271-L273 PolarHBondContact O-N 2.95Å
272Q74.8Confident68.5Low120 Ų120129.1 Ų129.156%0.56168%0.68SS**SBendtrans-65.7104167.2-73.1-177.9-20.600108.5R268 S270 R274R268-Q272 PolarHBondContact O-N 2.96Å; S270-Q272 VanDerWaalsContact C-N 3.29Å; Q272-R274 VanDerWaalsContact C-N 3.31Å; Q272-R274 PolarHBondContact O-N 2.8Å
273L66.5Low68.4Low166 Ų166128.5 Ų128.587%0.86968%0.68SS**  trans-52.497.4168.6-77.6162.3000108.5E271 V275E271-L273 PolarHBondContact O-N 2.95Å; L273-V275 VanDerWaalsContact C-N 3.29Å; L273-V275 PolarHBondContact O-N 2.97Å
274R62.2Low68.4Low218 Ų218126 Ų12682%0.82367%0.67SS**  trans-68.499.2163.5-65.6-168-178.3-166.70.7105Q272 C276Q272-R274 VanDerWaalsContact C-N 3.31Å; Q272-R274 PolarHBondContact O-N 2.8Å; R274-C276 PolarHBondContact O-N 2.99Å; R274-C276 VanDerWaalsContact O-N 3.16Å
275V62.7Low68.5Low129 Ų129134.3 Ų134.378%0.78269%0.691SS**  trans-47.8126.5165.3-173.80000105L273 L277L273-V275 VanDerWaalsContact C-N 3.29Å; L273-V275 PolarHBondContact O-N 2.97Å; V275-L277 PolarHBondContact O-N 3.32Å
276C55.9Low68.3Low110 Ų110134 Ų13474%0.74369%0.69SS**  trans-32.6133.9179.6-59.50000109.1R274 Q278R274-C276 PolarHBondContact O-N 2.99Å; R274-C276 VanDerWaalsContact O-N 3.16Å; C276-Q278 PolarHBondContact O-N 3Å
277L57.5Low68.4Low174 Ų174135.3 Ų135.391%0.91169%0.686SS**  trans-3699.4170.5-80.1158.3000107.1V275 E279V275-L277 PolarHBondContact O-N 3.32Å; L277-E279 VanDerWaalsContact C-N 3.26Å; L277-E279 PolarHBondContact O-N 2.91Å
278Q52.7Low68.1Low152 Ų152137.6 Ų137.671%0.7169%0.694SS**  trans-63.5109.9169.4-170.2173-7.10099.6C276 G280C276-Q278 PolarHBondContact O-N 3Å; Q278-G280 VanDerWaalsContact C-N 3.32Å; Q278-G280 PolarHBondContact O-N 2.63Å
279E58.8Low67.6Low180 Ų180132.8 Ų132.884%0.84169%0.687SS**  trans-44.2114.4165.5-74.5-179.2160.500103.6L277 D281L277-E279 VanDerWaalsContact C-N 3.26Å; L277-E279 PolarHBondContact O-N 2.91Å; E279-D281 PolarHBondContact O-N 3.21Å; E279-D281 VanDerWaalsContact O-N 3.17Å
280G60.7Low67.3Low65 Ų65134.8 Ų134.867%0.6770%0.697SS**  trans-51.1132.9-178.200000106.1Q278 E282Q278-G280 VanDerWaalsContact C-N 3.32Å; Q278-G280 PolarHBondContact O-N 2.63Å; G280-E282 PolarHBondContact O-N 3.5Å
281D65.6Low66.7Low133 Ų133136.3 Ų136.371%0.71169%0.693SS**  trans-44130.2179.8-68.9-39.7000108.3E279 N283E279-D281 PolarHBondContact O-N 3.21Å; E279-D281 VanDerWaalsContact O-N 3.17Å; D281-N283 PolarHBondContact O-N 3.34Å
282E65.5Low65.8Low184 Ų184133.6 Ų133.686%0.8668%0.683SS**  trans-45.6119.6-175.4-83.2-167.315100108.9G280 P284G280-E282 PolarHBondContact O-N 3.5Å; E282-P284 VanDerWaalsContact O-N 3.14Å
283N70.3Confident65.3Low133 Ų133135 Ų13571%0.71169%0.691SS**  trans-50.2128.7178.7-75.9-14.6000108D281 R285D281-N283 PolarHBondContact O-N 3.34Å; N283-R285 PolarHBondContact O-N 3.45Å
284P68.9Low65.2Low63 Ų63130.9 Ų130.941%0.40968%0.677SS.*  trans-53.5134.5-179.1-7.37.3000109.3E282 D286 S289 L290E282-P284 VanDerWaalsContact O-N 3.14Å; P284-D286 PolarHBondContact O-N 2.92Å; P284-S289 WeakPolarHBondContact CB-OG 3.5Å; P284-S289 VanDerWaalsContact CG-OG 3.29Å; P284-S289 WeakPolarHBondContact CG-OG 3.36Å; P284-L290 HydrophobicContact CG-CD2 4.09Å; P284-L290 HydrophobicContact CG-CG 4.3Å
285R71.3Confident65Low257 Ų257127.6 Ų127.697%0.9768%0.675SS**SBendtrans-55.4-23.5-179-70-176.2179.1-179.50.1113N283N283-R285 PolarHBondContact O-N 3.45Å
286D71.4Confident64.7Low97 Ų97130 Ų13052%0.51968%0.675SS.*SBendtrans-103.3100.8176-149-19.8000109.8P284 T288 S289P284-D286 PolarHBondContact O-N 2.92Å; D286-T288 PolarHBondContact O-N 3.11Å; D286-T288 PolarHBondContact OD1-OG1 3.24Å; D286-S289 PolarHBondContact O-N 2.86Å; D286-S289 VanDerWaalsContact O-N 3.11Å; D286-S289 PolarHBondContact O-OG 3.03Å
287F75Confident64.9Low138 Ų138131 Ų13161%0.60567%0.673SS**G310 helixtrans-60.7-17.3-17668.5-84.2000113.2S289 L290 F291F287-S289 VanDerWaalsContact C-N 3.27Å; F287-S289 PolarHBondContact O-N 3.44Å; F287-L290 WeakPolarHBondContact O-CB 3.41Å; F287-L290 PolarHBondContact O-N 3.42Å; F287-F291 HydrophobicContact CD2-CE2 4.05Å; F287-F291 VanDerWaalsContact O-CD2 3.25Å; F287-F291 WeakPolarHBondContact O-CD2 3.18Å; F287-F291 WeakPolarHBondContact O-CE2 3.26Å
288T72.8Confident65Low78 Ų78130 Ų13048%0.47967%0.668SS.*G310 helixtrans-67.5-25.3176.547.80000113.3D286 L290 F291D286-T288 PolarHBondContact O-N 3.11Å; D286-T288 PolarHBondContact OD1-OG1 3.24Å; T288-L290 PolarHBondContact O-N 2.96Å; T288-F291 PolarHBondContact O-N 3.41Å
289S69.4Low65.4Low75 Ų75126.3 Ų126.352%0.52466%0.659SS.*G310 helixtrans-71.8-16.9177630000114.1P284 D286 F287 F291P284-S289 WeakPolarHBondContact CB-OG 3.5Å; P284-S289 VanDerWaalsContact CG-OG 3.29Å; P284-S289 WeakPolarHBondContact CG-OG 3.36Å; D286-S289 PolarHBondContact O-N 2.86Å; D286-S289 VanDerWaalsContact O-N 3.11Å; D286-S289 PolarHBondContact O-OG 3.03Å; F287-S289 VanDerWaalsContact C-N 3.27Å; F287-S289 PolarHBondContact O-N 3.44Å; S289-F291 VanDerWaalsContact C-N 3.27Å
290L69.2Low65.9Low108 Ų108122 Ų12257%0.56565%0.646SS**G310 helixtrans-78.5-13174.6-65.3168.7000112.4P284 F287 T288P284-L290 HydrophobicContact CG-CD2 4.09Å; P284-L290 HydrophobicContact CG-CG 4.3Å; F287-L290 WeakPolarHBondContact O-CB 3.41Å; F287-L290 PolarHBondContact O-N 3.42Å; T288-L290 PolarHBondContact O-N 2.96Å
291F67.3Low66.7Low125 Ų125126.5 Ų126.555%0.54865%0.65SS.*  trans-95100.8177.3-63.8-86.7000109.6F287 T288 S289 M293F287-F291 HydrophobicContact CD2-CE2 4.05Å; F287-F291 VanDerWaalsContact O-CD2 3.25Å; F287-F291 WeakPolarHBondContact O-CD2 3.18Å; F287-F291 WeakPolarHBondContact O-CE2 3.26Å; T288-F291 PolarHBondContact O-N 3.41Å; S289-F291 VanDerWaalsContact C-N 3.27Å; F291-M293 VanDerWaalsContact C-N 3.33Å; F291-M293 HydrophobicContact CB-CE 4.25Å; F291-M293 PolarHBondContact O-N 3.12Å
292D63Low67.1Low101 Ų101123.4 Ų123.454%0.5464%0.639SS.*  trans-74.988.8169.8-166.8-3.2000110.1S294 L295D292-S294 VanDerWaalsContact CG-OG 3.22Å; D292-S294 PolarHBondContact O-N 3.14Å; D292-S294 VanDerWaalsContact O-N 3.15Å; D292-S294 WeakPolarHBondContact OD1-CB 3.47Å; D292-S294 PolarHBondContact OD1-N 3.33Å; D292-S294 VanDerWaalsContact OD1-N 3.13Å; D292-S294 PolarHBondContact OD1-OG 2.77Å; D292-S294 PolarHBondContact OD2-OG 2.91Å; D292-L295 HydrophobicContact CB-CD1 4.47Å; D292-L295 PolarHBondContact O-N 3.2Å
293M65Low67.8Low148 Ų148119.8 Ų119.873%0.72962%0.624SS**G310 helixtrans-67.8-5.3177.6-65.9-70.4-170.500112.9F291 L295F291-M293 VanDerWaalsContact C-N 3.33Å; F291-M293 HydrophobicContact CB-CE 4.25Å; F291-M293 PolarHBondContact O-N 3.12Å; M293-L295 VanDerWaalsContact C-N 3.34Å
294S63.3Low68.4Low81 Ų81117.5 Ų117.557%0.56662%0.617SS**G310 helixtrans-73.6-25.117875.60000113.2D292 F296D292-S294 VanDerWaalsContact CG-OG 3.22Å; D292-S294 PolarHBondContact O-N 3.14Å; D292-S294 VanDerWaalsContact O-N 3.15Å; D292-S294 WeakPolarHBondContact OD1-CB 3.47Å; D292-S294 PolarHBondContact OD1-N 3.33Å; D292-S294 VanDerWaalsContact OD1-N 3.13Å; D292-S294 PolarHBondContact OD1-OG 2.77Å; D292-S294 PolarHBondContact OD2-OG 2.91Å; S294-F296 PolarHBondContact O-N 2.91Å
295L59Low69Low148 Ų148121.1 Ų121.178%0.77563%0.628SS**G310 helixtrans-69.7-16.8178-70.1169.9000112.9D292 M293D292-L295 HydrophobicContact CB-CD1 4.47Å; D292-L295 PolarHBondContact O-N 3.2Å; M293-L295 VanDerWaalsContact C-N 3.34Å
296F56.8Low69.4Low180 Ų180112.5 Ų112.579%0.78960%0.604SS**G310 helixtrans-122.262.8179.2-141-88.4000111.2S294S294-F296 PolarHBondContact O-N 2.91Å
297N59.5Low69.9Low132 Ų132111.3 Ų111.371%0.70660%0.597SS**  trans-97.4110171.7-162.3-8.9000110.4S299N297-S299 VanDerWaalsContact C-N 3.29Å; N297-S299 PolarHBondContact O-N 2.84Å
298L59.7Low70.3Confident152 Ų152107.3 Ų107.380%0.79659%0.586SS**  trans-68.785.7170-97.1141.6000109.1P300L298-P300 VanDerWaalsContact O-CD 3.32Å; L298-P300 WeakPolarHBondContact O-CD 3.28Å
299S61.5Low70.7Confident75 Ų75105.8 Ų105.852%0.52458%0.579SS.*  trans-76.4120.617666.30000110.6N297 H301N297-S299 VanDerWaalsContact C-N 3.29Å; N297-S299 PolarHBondContact O-N 2.84Å; S299-H301 PolarHBondContact O-N 3.04Å; S299-H301 VanDerWaalsContact O-N 3.15Å
300P69.6Low71.3Confident88 Ų88105.8 Ų105.857%0.57157%0.569SS**G310 helixtrans-79.914.9177.932.4-35.1000112.8L298 S302 L303L298-P300 VanDerWaalsContact O-CD 3.32Å; L298-P300 WeakPolarHBondContact O-CD 3.28Å; P300-S302 PolarHBondContact O-N 3.45Å; P300-L303 VanDerWaalsContact O-CB 3.31Å; P300-L303 WeakPolarHBondContact O-CB 3.44Å; P300-L303 PolarHBondContact O-N 2.88Å
301H76.8Confident71.9Confident160 Ų160109 Ų10974%0.74158%0.579SS**G310 helixtrans-62.9-30.8-175.1-81.923.9000113S299 P304S299-H301 PolarHBondContact O-N 3.04Å; S299-H301 VanDerWaalsContact O-N 3.15Å; H301-P304 VanDerWaalsContact O-CD 3.31Å; H301-P304 WeakPolarHBondContact O-CD 3.39Å
302S74.1Confident72.8Confident69 Ų69110.6 Ų110.648%0.48359%0.588SS.*G310 helixtrans-86.1-9.4179.9-43.40000113.6P300 E305 V306P300-S302 PolarHBondContact O-N 3.45Å; S302-E305 PolarHBondContact O-N 3.43Å; S302-V306 WeakPolarHBondContact O-CG2 3.37Å; S302-V306 PolarHBondContact O-N 3.46Å
303L79.8Confident73.7Confident107 Ų107112 Ų11256%0.5660%0.595SS**Hα-helixtrans-63-41.2-176.8-152.586.3000113.6P300 E305 V306 I307P300-L303 VanDerWaalsContact O-CB 3.31Å; P300-L303 WeakPolarHBondContact O-CB 3.44Å; P300-L303 PolarHBondContact O-N 2.88Å; L303-E305 PolarHBondContact O-N 3.34Å; L303-V306 PolarHBondContact O-N 3.42Å; L303-I307 HydrophobicContact CD2-CD1 4.21Å; L303-I307 HydrophobicContact CG-CD1 4.21Å; L303-I307 VanDerWaalsContact O-CG1 3.31Å; L303-I307 WeakPolarHBondContact O-CG1 3.04Å; L303-I307 PolarHBondContact O-N 3.43Å
304P82.4Confident74.5Confident86 Ų86112.3 Ų112.356%0.55860%0.599SS**Hα-helixtrans-63.9-38.9178.5-20.433000112.9H301 I307 S308H301-P304 VanDerWaalsContact O-CD 3.31Å; H301-P304 WeakPolarHBondContact O-CD 3.39Å; P304-I307 PolarHBondContact O-N 2.99Å; P304-S308 WeakPolarHBondContact O-CB 3.44Å; P304-S308 PolarHBondContact O-N 2.83Å
305E81.6Confident75.2Confident138 Ų138112.1 Ų112.165%0.64560%0.595SS**Hα-helixtrans-63.2-48176.3-70.1-175.4165.500110.4S302 L303 I307 S308 S309S302-E305 PolarHBondContact O-N 3.43Å; L303-E305 PolarHBondContact O-N 3.34Å; E305-I307 PolarHBondContact O-N 3.17Å; E305-S308 WeakPolarHBondContact O-CB 3.42Å; E305-S308 PolarHBondContact O-N 3.25Å; E305-S308 VanDerWaalsContact O-N 3.08Å; E305-S308 PolarHBondContact O-OG 3.13Å; E305-S309 PolarHBondContact O-N 2.93Å; E305-S309 PolarHBondContact O-OG 3.36Å; E305-S309 VanDerWaalsContact O-OG 3.12Å
306V80.1Confident76Confident76 Ų76112.7 Ų112.746%0.46159%0.591SS.*Hα-helixtrans-58.8-45.3177.9173.60000111.7S302 L303 S308 S309 F310S302-V306 WeakPolarHBondContact O-CG2 3.37Å; S302-V306 PolarHBondContact O-N 3.46Å; L303-V306 PolarHBondContact O-N 3.42Å; V306-S308 VanDerWaalsContact C-N 3.28Å; V306-S308 PolarHBondContact O-N 3.01Å; V306-S309 WeakPolarHBondContact O-CB 3.45Å; V306-S309 PolarHBondContact O-N 3.21Å; V306-F310 HydrophobicContact CG1-CD2 4.31Å; V306-F310 HydrophobicContact CG1-CE2 3.91Å; V306-F310 VanDerWaalsContact O-CD2 3.27Å; V306-F310 WeakPolarHBondContact O-CD2 3.34Å; V306-F310 PolarHBondContact O-N 2.83Å
307I81.2Confident76.9Confident72 Ų72110.1 Ų110.137%0.36958%0.581SS.*Hα-helixtrans-63.3-36.2177.4-66.3166.2000111.1L303 P304 E305L303-I307 HydrophobicContact CD2-CD1 4.21Å; L303-I307 HydrophobicContact CG-CD1 4.21Å; L303-I307 VanDerWaalsContact O-CG1 3.31Å; L303-I307 WeakPolarHBondContact O-CG1 3.04Å; L303-I307 PolarHBondContact O-N 3.43Å; P304-I307 PolarHBondContact O-N 2.99Å; E305-I307 PolarHBondContact O-N 3.17Å
308S83.7Confident77.8Confident55 Ų55110 Ų11039%0.38558%0.576SS.*Hα-helixtrans-66.8-36.617681.30000112.4P304 E305 V306 F310 K311 Q312P304-S308 WeakPolarHBondContact O-CB 3.44Å; P304-S308 PolarHBondContact O-N 2.83Å; E305-S308 WeakPolarHBondContact O-CB 3.42Å; E305-S308 PolarHBondContact O-N 3.25Å; E305-S308 VanDerWaalsContact O-N 3.08Å; E305-S308 PolarHBondContact O-OG 3.13Å; V306-S308 VanDerWaalsContact C-N 3.28Å; V306-S308 PolarHBondContact O-N 3.01Å; S308-F310 PolarHBondContact O-N 3.02Å; S308-K311 PolarHBondContact O-N 3.03Å; S308-Q312 PolarHBondContact O-N 3.17Å
309S81.6Confident78.4Confident46 Ų46108.2 Ų108.232%0.32257%0.574SS.*Hα-helixtrans-66.3-33.9178.5-56.50000112.9E305 V306 K311 Q312 L313E305-S309 PolarHBondContact O-N 2.93Å; E305-S309 PolarHBondContact O-OG 3.36Å; E305-S309 VanDerWaalsContact O-OG 3.12Å; V306-S309 WeakPolarHBondContact O-CB 3.45Å; V306-S309 PolarHBondContact O-N 3.21Å; S309-K311 PolarHBondContact O-N 3.46Å; S309-Q312 PolarHBondContact O-N 3.41Å; S309-Q312 VanDerWaalsContact O-N 3.13Å; S309-L313 WeakPolarHBondContact O-CB 3.5Å; S309-L313 WeakPolarHBondContact O-CG 3.43Å; S309-L313 PolarHBondContact O-N 3.21Å
310F83.1Confident78.8Confident74 Ų74113.3 Ų113.333%0.32559%0.594SS.*Hα-helixtrans-57-38.8173.6-85.2-82.1000112.3V306 S308 N314 V315 H317V306-F310 HydrophobicContact CG1-CD2 4.31Å; V306-F310 HydrophobicContact CG1-CE2 3.91Å; V306-F310 VanDerWaalsContact O-CD2 3.27Å; V306-F310 WeakPolarHBondContact O-CD2 3.34Å; V306-F310 PolarHBondContact O-N 2.83Å; S308-F310 PolarHBondContact O-N 3.02Å; F310-N314 PolarHBondContact O-N 3.01Å; F310-V315 HydrophobicContact CD1-CB 3.98Å; F310-V315 HydrophobicContact CD1-CG1 3.93Å; F310-V315 HydrophobicContact CE1-CB 4.49Å; F310-V315 HydrophobicContact CE1-CG1 4Å; F310-V315 PolarHBondContact O-N 2.98Å; F310-V315 VanDerWaalsContact O-N 3.12Å; F310-H317 HydrophobicContact CB-CB 4.49Å; F310-H317 AromaticContact CD2-CD2 3.7Å; F310-H317 AromaticContact CE2-CD2 3.97Å; F310-H317 HydrophobicContact CG-CB 4.44Å; F310-H317 AromaticContact CG-CD2 3.98Å
311K81.8Confident78.8Confident176 Ų176117.1 Ų117.177%0.76561%0.605SS**Hα-helixtrans-69.2-40.1175.9-67.9-178.3179.8176.90112.2S308 S309 N314S308-K311 PolarHBondContact O-N 3.03Å; S309-K311 PolarHBondContact O-N 3.46Å; K311-N314 PolarHBondContact O-N 3.03Å
312Q85.4Confident78.3Confident159 Ų159117.3 Ų117.374%0.74361%0.61SS**Hα-helixtrans-67.5-38.2178.7-68.6178.7-10.700112.3S308 S309 N314S308-Q312 PolarHBondContact O-N 3.17Å; S309-Q312 PolarHBondContact O-N 3.41Å; S309-Q312 VanDerWaalsContact O-N 3.13Å; Q312-N314 VanDerWaalsContact C-N 3.25Å; Q312-N314 PolarHBondContact O-N 3.05Å
313L82.8Confident77.9Confident129 Ų129121.5 Ų121.568%0.67563%0.626SS**THydrogen-bonded Turntrans-83-1.3-179.9-64.7171.3000113.2S309 V315S309-L313 WeakPolarHBondContact O-CB 3.5Å; S309-L313 WeakPolarHBondContact O-CG 3.43Å; S309-L313 PolarHBondContact O-N 3.21Å; L313-V315 HydrophobicContact CB-CG2 4.01Å; L313-V315 PolarHBondContact O-N 3.1Å
314N80.3Confident77Confident155 Ų155121.7 Ų121.783%0.82963%0.631SS**THydrogen-bonded Turntrans53.832.5-177.6-148.923.1000113.2F310 K311 Q312F310-N314 PolarHBondContact O-N 3.01Å; K311-N314 PolarHBondContact O-N 3.03Å; Q312-N314 VanDerWaalsContact C-N 3.25Å; Q312-N314 PolarHBondContact O-N 3.05Å
315V79.3Confident75.9Confident77 Ų77121.9 Ų121.947%0.46763%0.633SS.*  trans-96.5131.5177.3179.20000108.2F310 L313 H317F310-V315 HydrophobicContact CD1-CB 3.98Å; F310-V315 HydrophobicContact CD1-CG1 3.93Å; F310-V315 HydrophobicContact CE1-CB 4.49Å; F310-V315 HydrophobicContact CE1-CG1 4Å; F310-V315 PolarHBondContact O-N 2.98Å; F310-V315 VanDerWaalsContact O-N 3.12Å; L313-V315 HydrophobicContact CB-CG2 4.01Å; L313-V315 PolarHBondContact O-N 3.1Å; V315-H317 PolarHBondContact O-N 3.05Å
316K75.5Confident74.9Confident160 Ų160124.7 Ų124.770%0.69665%0.646SS**  trans-64.5127.8177.3-68.3-175.4178.3-1770110.2E318K316-E318 HydrophobicContact CB-CG 4.35Å; K316-E318 PolarHBondContact O-N 3.45Å
317H75.7Confident74Confident126 Ų126128.8 Ų128.858%0.58366%0.658SS**  trans-81.273.2176.1-175-84.8000109.9F310 V315F310-H317 HydrophobicContact CB-CB 4.49Å; F310-H317 AromaticContact CD2-CD2 3.7Å; F310-H317 AromaticContact CE2-CD2 3.97Å; F310-H317 HydrophobicContact CG-CB 4.44Å; F310-H317 AromaticContact CG-CD2 3.98Å; V315-H317 PolarHBondContact O-N 3.05Å
318E77.1Confident73Confident130 Ų130134.9 Ų134.961%0.60768%0.684SS**SBendtrans-123.2148177.6-68.9174.6-164.800108.9K316 L320K316-E318 HydrophobicContact CB-CG 4.35Å; K316-E318 PolarHBondContact O-N 3.45Å; E318-L320 PolarHBondContact O-N 3.46Å; E318-L320 VanDerWaalsContact O-N 3.15Å
319P73.4Confident71.8Confident115 Ų115136.9 Ų136.975%0.74770%0.695SS**  trans-57.6122.3175.522.9-31.2000109.2Q321P319-Q321 PolarHBondContact O-N 3.04Å
320L69.6Low70.7Confident181 Ų181140.8 Ų140.895%0.94872%0.719SS**  trans-55.4110.4-178-72.2167.4000109.5E318E318-L320 PolarHBondContact O-N 3.46Å; E318-L320 VanDerWaalsContact O-N 3.15Å
321Q69.2Low69.6Low169 Ų169143.8 Ų143.879%0.7974%0.738SS**  trans-86.5138.7169.2-65.2-174.2-4.900108.2P319 I323P319-Q321 PolarHBondContact O-N 3.04Å; Q321-I323 PolarHBondContact O-N 2.73Å
322L66Low68.7Low163 Ų163141 Ų14185%0.85374%0.737SS**  trans-58.8112.4170.7-111.2111.7000107.9T324L322-T324 PolarHBondContact O-N 3.46Å
323I66.4Low67.7Low158 Ų158142.1 Ų142.181%0.8174%0.742SS**  trans-67.4105.1168.3-55.2173.7000105.2Q321 P325Q321-I323 PolarHBondContact O-N 2.73Å; I323-P325 VanDerWaalsContact O-CD 3.25Å; I323-P325 WeakPolarHBondContact O-CD 3.43Å
324T61.1Low66.6Low111 Ų111144.2 Ų144.268%0.68175%0.753SS**  trans-71.8115.8174.640.40000107.7L322 Q326L322-T324 PolarHBondContact O-N 3.46Å; T324-Q326 PolarHBondContact O-N 3.02Å
325P59.7Low65.9Low90 Ų90145.5 Ų145.558%0.58476%0.755SS**  trans-64.7125.3176.327.1-33.7000108.8I323 F327I323-P325 VanDerWaalsContact O-CD 3.25Å; I323-P325 WeakPolarHBondContact O-CD 3.43Å; P325-F327 HydrophobicContact CB-CD2 3.95Å; P325-F327 HydrophobicContact CB-CE2 3.5Å; P325-F327 VanDerWaalsContact CB-CE2 3.5Å; P325-F327 HydrophobicContact CB-CZ 4.17Å; P325-F327 HydrophobicContact CG-CD2 3.99Å; P325-F327 HydrophobicContact CG-CE2 3.47Å; P325-F327 VanDerWaalsContact CG-CE2 3.47Å; P325-F327 HydrophobicContact CG-CZ 4.43Å; P325-F327 PolarHBondContact O-N 3.32Å
326Q59.7Low65Low197 Ų197147.2 Ų147.292%0.92177%0.767SS**  trans-78.8102.6172.5-76.2-176.1-14.900108.8T324T324-Q326 PolarHBondContact O-N 3.02Å
327F62Low64.6Low162 Ų162144 Ų14471%0.71177%0.771SS**  trans-97.2123.4168.8-70.5-78.7000109P325 T329P325-F327 HydrophobicContact CB-CD2 3.95Å; P325-F327 HydrophobicContact CB-CE2 3.5Å; P325-F327 VanDerWaalsContact CB-CE2 3.5Å; P325-F327 HydrophobicContact CB-CZ 4.17Å; P325-F327 HydrophobicContact CG-CD2 3.99Å; P325-F327 HydrophobicContact CG-CE2 3.47Å; P325-F327 VanDerWaalsContact CG-CE2 3.47Å; P325-F327 HydrophobicContact CG-CZ 4.43Å; P325-F327 PolarHBondContact O-N 3.32Å; F327-T329 HydrophobicContact CB-CG2 4.46Å; F327-T329 PolarHBondContact O-N 3.46Å; F327-T329 VanDerWaalsContact O-N 3.12Å
328E59.5Low64.3Low199 Ų199144.2 Ų144.293%0.9378%0.78SS**  trans-71.5102.9168.7-71.6-173.1165.300109P330E328-P330 WeakPolarHBondContact O-CD 3.33Å
329T58Low63.9Low98 Ų98146 Ų14660%0.60179%0.787SS**  trans-101.8108.7176.649.10000109.9F327 L331F327-T329 HydrophobicContact CB-CG2 4.46Å; F327-T329 PolarHBondContact O-N 3.46Å; F327-T329 VanDerWaalsContact O-N 3.12Å; T329-L331 PolarHBondContact O-N 3.27Å
330P58.9Low63.5Low128 Ų128145.9 Ų145.983%0.83179%0.785SS**  trans-78.1-1.6-174.430.6-34.8000114.2E328E328-P330 WeakPolarHBondContact O-CD 3.33Å
331L59.5Low63.2Low137 Ų137142.8 Ų142.872%0.71778%0.776SS**SBendtrans-114.6144.1-179.4-70165.3000110.5T329T329-L331 PolarHBondContact O-N 3.27Å
332P63.2Low62.9Low117 Ų117139.6 Ų139.676%0.7678%0.779SS**PPolyproline II helixtrans-62.1148.4177.725.7-32.4000111.1L334P332-L334 PolarHBondContact O-N 3.29Å
333Q64.3Low63.1Low182 Ų182139.1 Ų139.185%0.8578%0.776SS**PPolyproline II helixtrans-63.7123.9-174.4-66.8-178.5-10.500111.4
334L61.2Low63.1Low173 Ų173137.6 Ų137.691%0.90678%0.78SS**PPolyproline II helixtrans-68.9130.1174.3-72.3162.6000110P332P332-L334 PolarHBondContact O-N 3.29Å
335Q63.9Low63.3Low183 Ų183141 Ų14186%0.85579%0.788SS**PPolyproline II helixtrans-88.3134174.8-74.1-177.9-18.300110.7
336P61.4Low63.6Low112 Ų112144.4 Ų144.473%0.72780%0.8SS**PPolyproline II helixtrans-68.5138.8176.527-31.7000110.9V338P336-V338 PolarHBondContact O-N 2.93Å; P336-V338 VanDerWaalsContact O-N 3.14Å
337A65.9Low64.1Low93 Ų93140.5 Ų140.577%0.76979%0.792SS**  trans-66.4111.8174.500000109.6F339A337-F339 PolarHBondContact O-N 3.3Å
338V71Confident64.5Low130 Ų130137.6 Ų137.679%0.78879%0.792SS**SBendtrans-73.8-3.6-179.5-1200000113.4P336P336-V338 PolarHBondContact O-N 2.93Å; P336-V338 VanDerWaalsContact O-N 3.14Å
339F66.9Low64.9Low169 Ų169132.8 Ų132.874%0.74178%0.778SS**SBendtrans-125.4127.8179.5-59.8-76.2000109.5A337A337-F339 PolarHBondContact O-N 3.3Å
340P65.2Low65.8Low111 Ų111134.3 Ų134.372%0.72178%0.78SS**  trans-61.5147.1169.225.1-30.4000109.7A342P340-A342 PolarHBondContact O-N 3.02Å; P340-A342 VanDerWaalsContact O-N 3.17Å
341P64.3Low66Low116 Ų116133 Ų13375%0.75377%0.765SS**  trans-60.2120.7176.123.6-30.7000109.4L343P341-L343 PolarHBondContact O-N 3.26Å
342A63.7Low66.5Low103 Ų103134.4 Ų134.485%0.85177%0.774SS**  trans-69.997.4176.700000109.4P340P340-A342 PolarHBondContact O-N 3.02Å; P340-A342 VanDerWaalsContact O-N 3.17Å
343L69.2Low67Low152 Ų152135 Ų13580%0.79677%0.77SS**  trans-74.3125.6164.5-70163.9000107.1P341 E345P341-L343 PolarHBondContact O-N 3.26Å; L343-E345 PolarHBondContact O-N 3.28Å
344S66.8Low67.1Low126 Ų126132.4 Ų132.488%0.88176%0.756SS**  trans-63.698.3175.1-58.80000109.4
345E65.9Low67.7Low182 Ų182128.6 Ų128.685%0.8574%0.737SS**PPolyproline II helixtrans-62.2137.6168.9-72.9-179.9169.400109.1L343L343-E345 PolarHBondContact O-N 3.28Å
346L64.3Low68.1Low162 Ų162123.4 Ų123.485%0.84871%0.714SS**PPolyproline II helixtrans-60.6140.1174.2-72.6164.1000108.8S348L346-S348 PolarHBondContact O-N 3.28Å
347P71.8Confident68.5Low116 Ų116124.7 Ų124.775%0.75372%0.715SS**PPolyproline II helixtrans-57.3140175.123.6-31.7000109.5
348S69.4Low68.7Low100 Ų100125.5 Ų125.570%0.69970%0.703SS**PPolyproline II helixtrans-55.4140.6177.650.70000110L346 M350L346-S348 PolarHBondContact O-N 3.28Å; S348-M350 PolarHBondContact O-N 3.09Å
349P68.3Low68.6Low98 Ų98123.4 Ų123.464%0.63669%0.69SS**PPolyproline II helixtrans-54.713717723.2-32.3000109.4L351P349-L351 HydrophobicContact CG-CD1 4.16Å; P349-L351 PolarHBondContact O-N 3.28Å
350M76.6Confident68.9Low131 Ų131123.3 Ų123.365%0.64569%0.69SS**  trans-74.467.1-177.8-61.3-166-73.500110.6S348 D352 L353 F354S348-M350 PolarHBondContact O-N 3.09Å; M350-D352 PolarHBondContact O-N 3.5Å; M350-L353 HydrophobicContact CB-CD1 3.73Å; M350-L353 HydrophobicContact CB-CG 4.05Å; M350-L353 HydrophobicContact CE-CD1 3.49Å; M350-L353 VanDerWaalsContact CE-CD1 3.49Å; M350-L353 HydrophobicContact CG-CD1 4.36Å; M350-L353 WeakPolarHBondContact O-CB 3.45Å; M350-L353 PolarHBondContact O-N 3.01Å; M350-L353 HydrophobicContact SD-CD1 3.75Å; M350-F354 WeakPolarHBondContact O-CD2 3.44Å
351L62.9Low69.6Low99 Ų99119.3 Ų119.352%0.51866%0.664SS.*G310 helixtrans-55.9-29.3178.3-85.2143.1000112.3P349 L353 F354 L356P349-L351 HydrophobicContact CG-CD1 4.16Å; P349-L351 PolarHBondContact O-N 3.28Å; L351-L353 PolarHBondContact O-N 3.5Å; L351-L353 VanDerWaalsContact O-N 3.15Å; L351-F354 PolarHBondContact O-N 3.42Å; L351-L356 HydrophobicContact CD2-CD2 4.01Å
352D71.3Confident70.4Confident168 Ų168117 Ų11790%0.89865%0.651SS**G310 helixtrans-64.3-14.9176-66.9-14.8000113.9M350M350-D352 PolarHBondContact O-N 3.5Å
353L73.4Confident71.3Confident130 Ų130117.5 Ų117.568%0.68164%0.636SS**G310 helixtrans-93.4-7.7175.3-61.8176.9000113.1M350 L351M350-L353 HydrophobicContact CB-CD1 3.73Å; M350-L353 HydrophobicContact CB-CG 4.05Å; M350-L353 HydrophobicContact CE-CD1 3.49Å; M350-L353 VanDerWaalsContact CE-CD1 3.49Å; M350-L353 HydrophobicContact CG-CD1 4.36Å; M350-L353 WeakPolarHBondContact O-CB 3.45Å; M350-L353 PolarHBondContact O-N 3.01Å; M350-L353 HydrophobicContact SD-CD1 3.75Å; L351-L353 PolarHBondContact O-N 3.5Å; L351-L353 VanDerWaalsContact O-N 3.15Å
354F65.5Low71.9Confident127 Ų127118.5 Ų118.556%0.55763%0.634SS**SBendtrans-101.1124.6178.3-71.7-88000109.7M350 L351 L356M350-F354 WeakPolarHBondContact O-CD2 3.44Å; L351-F354 PolarHBondContact O-N 3.42Å; F354-L356 HydrophobicContact CB-CD2 4.22Å; F354-L356 PolarHBondContact O-N 3.49Å
355D73.9Confident72.7Confident93 Ų93115.7 Ų115.750%0.49761%0.611SS.*  trans-70.498.5166.1-168-27.2000108.2D357 E358 T359D355-D357 PolarHBondContact O-N 3.16Å; D355-D357 WeakPolarHBondContact OD1-CB 3.46Å; D355-D357 PolarHBondContact OD1-N 3.41Å; D355-D357 VanDerWaalsContact OD1-N 3.08Å; D355-E358 HydrophobicContact CB-CB 3.94Å; D355-E358 PolarHBondContact O-N 2.94Å; D355-E358 PolarHBondContact OD1-N 3.07Å; D355-E358 VanDerWaalsContact OD1-N 3.14Å; D355-T359 PolarHBondContact O-N 3.15Å; D355-T359 PolarHBondContact O-OG1 3.26Å; D355-T359 VanDerWaalsContact O-OG1 3.08Å
356L72.2Confident73.4Confident74 Ų74110.8 Ų110.839%0.38759%0.585SS.*Hα-helixtrans-63.9-32.6-178.8-59.5-176.9000110.9L351 F354 T359 F360L351-L356 HydrophobicContact CD2-CD2 4.01Å; F354-L356 HydrophobicContact CB-CD2 4.22Å; F354-L356 PolarHBondContact O-N 3.49Å; L356-T359 WeakPolarHBondContact CA-OG1 3.42Å; L356-T359 PolarHBondContact O-N 3.44Å; L356-T359 PolarHBondContact O-OG1 3.48Å; L356-F360 HydrophobicContact CB-CD2 4.05Å; L356-F360 HydrophobicContact CB-CE2 4.24Å; L356-F360 HydrophobicContact CD2-CE2 4.08Å; L356-F360 WeakPolarHBondContact O-CB 3.35Å; L356-F360 WeakPolarHBondContact O-CD2 3.26Å; L356-F360 PolarHBondContact O-N 2.96Å
357D69.6Low74.3Confident139 Ų139105 Ų10574%0.74355%0.554SS**Hα-helixtrans-69.4-37.1177.7-71.5-26.2000110.6D355 S361D355-D357 PolarHBondContact O-N 3.16Å; D355-D357 WeakPolarHBondContact OD1-CB 3.46Å; D355-D357 PolarHBondContact OD1-N 3.41Å; D355-D357 VanDerWaalsContact OD1-N 3.08Å; D357-S361 WeakPolarHBondContact O-CB 3.49Å; D357-S361 PolarHBondContact O-N 2.7Å; D357-S361 VanDerWaalsContact O-N 3.09Å; D357-S361 PolarHBondContact O-OG 3.38Å; D357-S361 VanDerWaalsContact O-OG 3.12Å
358E69.8Low74.9Confident110 Ų110101.9 Ų101.951%0.51454%0.538SS..Hα-helixtrans-67.6-42.1173.9-169.6176.6179.400112.1D355 S361D355-E358 HydrophobicContact CB-CB 3.94Å; D355-E358 PolarHBondContact O-N 2.94Å; D355-E358 PolarHBondContact OD1-N 3.07Å; D355-E358 VanDerWaalsContact OD1-N 3.14Å; E358-S361 PolarHBondContact O-OG 3.35Å
359T69.1Low75.4Confident85 Ų85101.6 Ų101.652%0.52153%0.526SS..Hα-helixtrans-77.4-31.2-175.552.50000114D355 L356D355-T359 PolarHBondContact O-N 3.15Å; D355-T359 PolarHBondContact O-OG1 3.26Å; D355-T359 VanDerWaalsContact O-OG1 3.08Å; L356-T359 WeakPolarHBondContact CA-OG1 3.42Å; L356-T359 PolarHBondContact O-N 3.44Å; L356-T359 PolarHBondContact O-OG1 3.48Å
360F73.4Confident76.2Confident168 Ų16898 Ų9874%0.73750%0.502SS*.Hα-helixtrans-94.2-8.1176.8-68.5-66.5000114L356 S362L356-F360 HydrophobicContact CB-CD2 4.05Å; L356-F360 HydrophobicContact CB-CE2 4.24Å; L356-F360 HydrophobicContact CD2-CE2 4.08Å; L356-F360 WeakPolarHBondContact O-CB 3.35Å; L356-F360 WeakPolarHBondContact O-CD2 3.26Å; L356-F360 PolarHBondContact O-N 2.96Å; F360-S362 PolarHBondContact O-N 3.29Å
361S80.4Confident76.5Confident26 Ų2695.2 Ų95.218%0.18249%0.492CS..SBendtrans-66.7131.8177.758.30000112.3D357 E358 R366D357-S361 WeakPolarHBondContact O-CB 3.49Å; D357-S361 PolarHBondContact O-N 2.7Å; D357-S361 VanDerWaalsContact O-N 3.09Å; D357-S361 PolarHBondContact O-OG 3.38Å; D357-S361 VanDerWaalsContact O-OG 3.12Å; E358-S361 PolarHBondContact O-OG 3.35Å; S361-R366 VanDerWaalsContact OG-CD 3.29Å; S361-R366 WeakPolarHBondContact OG-CD 3.42Å; S361-R366 WeakPolarHBondContact OG-CG 3.33Å
362S81.8Confident77.5Confident68 Ų6897.4 Ų97.448%0.47650%0.504SS..  trans-61150.6174.269.60000111.8F360 K364 V365 R366F360-S362 PolarHBondContact O-N 3.29Å; S362-K364 PolarHBondContact O-N 3.48Å; S362-V365 PolarHBondContact O-N 3.3Å; S362-V365 WeakPolarHBondContact OG-CG2 3.38Å; S362-R366 PolarHBondContact O-N 2.59Å; S362-R366 VanDerWaalsContact O-N 3.15Å
363E81.7Confident78Confident113 Ų11397.4 Ų97.453%0.52850%0.496SS..Hα-helixtrans-50.1-38.2-179.8-63172.5179.900112.9V365 R366 L367 I389E363-V365 PolarHBondContact O-N 3.13Å; E363-R366 PolarHBondContact O-N 3.15Å; E363-L367 VanDerWaalsContact O-CG 3.3Å; E363-L367 WeakPolarHBondContact O-CG 3.3Å; E363-L367 PolarHBondContact O-N 3.05Å; E363-I389 HydrophobicContact CB-CG2 4.21Å
364K82.6Confident78.4Confident173 Ų17392.6 Ų92.675%0.75247%0.473SS*.Hα-helixtrans-64.1-40.6178.5-65.7-176.9179.9178.90113S362 A368S362-K364 PolarHBondContact O-N 3.48Å; K364-A368 PolarHBondContact O-N 2.94Å; K364-A368 VanDerWaalsContact O-N 3.09Å
365V82.9Confident79Confident67 Ų6790.7 Ų90.741%0.40647%0.472SS..Hα-helixtrans-71.3-40-180174.70000110.1S362 E363 L367 A368 Q369S362-V365 PolarHBondContact O-N 3.3Å; S362-V365 WeakPolarHBondContact OG-CG2 3.38Å; E363-V365 PolarHBondContact O-N 3.13Å; V365-L367 PolarHBondContact O-N 3.18Å; V365-A368 PolarHBondContact O-N 3.26Å; V365-Q369 WeakPolarHBondContact O-CG 3.29Å; V365-Q369 PolarHBondContact O-N 3.37Å
366R80.9Confident79.1Confident79 Ų7993 Ų9330%0.29848%0.484SS..Hα-helixtrans-62.3-42.9176.3-64.8178.871.9-169.34.1111.9S361 S362 E363 Q369 L370 I389S361-R366 VanDerWaalsContact OG-CD 3.29Å; S361-R366 WeakPolarHBondContact OG-CD 3.42Å; S361-R366 WeakPolarHBondContact OG-CG 3.33Å; S362-R366 PolarHBondContact O-N 2.59Å; S362-R366 VanDerWaalsContact O-N 3.15Å; E363-R366 PolarHBondContact O-N 3.15Å; R366-Q369 PolarHBondContact O-N 3.45Å; R366-L370 WeakPolarHBondContact O-CB 3.2Å; R366-L370 PolarHBondContact O-N 2.96Å; R366-I389 HydrophobicContact CB-CD1 4Å; R366-I389 HydrophobicContact CB-CG1 4.37Å; R366-I389 HydrophobicContact CB-CG2 3.94Å
367L83.2Confident79.3Confident40 Ų4096.9 Ų96.921%0.20951%0.505CS..Hα-helixtrans-63.7-42.7174.8-71.3171.1000112.1E363 V365 Q369 L370 T371 C386 I389 L390E363-L367 VanDerWaalsContact O-CG 3.3Å; E363-L367 WeakPolarHBondContact O-CG 3.3Å; E363-L367 PolarHBondContact O-N 3.05Å; V365-L367 PolarHBondContact O-N 3.18Å; L367-Q369 PolarHBondContact O-N 3.2Å; L367-L370 PolarHBondContact O-N 3.27Å; L367-T371 PolarHBondContact O-N 3.14Å; L367-T371 PolarHBondContact O-OG1 3.36Å; L367-C386 HydrophobicContact CD2-CB 3.85Å; L367-C386 VanDerWaalsContact CD2-SG 3.53Å; L367-I389 HydrophobicContact CD2-CB 4.34Å; L367-I389 HydrophobicContact CD2-CD1 4.15Å; L367-I389 HydrophobicContact CD2-CG2 4.29Å; L367-I389 HydrophobicContact CG-CG2 4.1Å; L367-L390 HydrophobicContact CD1-CD2 4.17Å; L367-L390 HydrophobicContact CD1-CG 4.46Å
368A83.2Confident79.9Confident51 Ų5193.9 Ų93.942%0.42149%0.489SS..Hα-helixtrans-63.2-41.9177.400000112.2K364 V365 T371 N372K364-A368 PolarHBondContact O-N 2.94Å; K364-A368 VanDerWaalsContact O-N 3.09Å; V365-A368 PolarHBondContact O-N 3.26Å; A368-T371 PolarHBondContact O-N 3.39Å; A368-N372 PolarHBondContact O-N 2.92Å; A368-N372 PolarHBondContact O-ND2 3.09Å
369Q81.9Confident80.4Confident95 Ų9593.8 Ų93.844%0.44449%0.492SS..Hα-helixtrans-64.7-39.5174.8-71.8178.3-0.500112.4V365 R366 L367 N372 K373V365-Q369 WeakPolarHBondContact O-CG 3.29Å; V365-Q369 PolarHBondContact O-N 3.37Å; R366-Q369 PolarHBondContact O-N 3.45Å; L367-Q369 PolarHBondContact O-N 3.2Å; Q369-N372 PolarHBondContact O-N 3.23Å; Q369-K373 WeakPolarHBondContact O-CG 3.44Å; Q369-K373 PolarHBondContact O-N 3.35Å
370L83.8Confident81Confident23 Ų2396 Ų9612%0.1250%0.496CS..Hα-helixtrans-63.3-42.7175.5-164.993.4000111.1R366 L367 N372 K373 C374 Y382 K385 C386R366-L370 WeakPolarHBondContact O-CB 3.2Å; R366-L370 PolarHBondContact O-N 2.96Å; L367-L370 PolarHBondContact O-N 3.27Å; L370-N372 VanDerWaalsContact C-N 3.28Å; L370-N372 PolarHBondContact O-N 3.08Å; L370-K373 PolarHBondContact O-N 3.01Å; L370-K373 VanDerWaalsContact O-N 3.09Å; L370-C374 PolarHBondContact O-N 3.32Å; L370-Y382 HydrophobicContact CB-CE2 4.42Å; L370-Y382 HydrophobicContact CD2-CD2 3.44Å; L370-Y382 VanDerWaalsContact CD2-CD2 3.44Å; L370-Y382 HydrophobicContact CD2-CE2 3.6Å; L370-Y382 HydrophobicContact CD2-CG 4.29Å; L370-Y382 HydrophobicContact CG-CD2 3.96Å; L370-Y382 HydrophobicContact CG-CE2 4.13Å; L370-K385 HydrophobicContact CD1-CB 3.63Å; L370-K385 HydrophobicContact CD1-CG 4.21Å; L370-K385 HydrophobicContact CD2-CB 3.78Å; L370-K385 HydrophobicContact CG-CB 4.37Å; L370-C386 WeakPolarHBondContact CD2-SG 3.34Å
371T82.9Confident81.4Confident71 Ų7193.4 Ų93.444%0.43649%0.485SS..Hα-helixtrans-60.6-38.2179.1-49.80000111.7L367 A368 K373 Y382L367-T371 PolarHBondContact O-N 3.14Å; L367-T371 PolarHBondContact O-OG1 3.36Å; A368-T371 PolarHBondContact O-N 3.39Å; T371-K373 VanDerWaalsContact C-N 3.31Å; T371-K373 PolarHBondContact O-N 3.47Å; T371-Y382 PolarHBondContact OG1-OH 3.11Å; T371-Y382 VanDerWaalsContact OG1-OH 3.04Å
372N84Confident81.6Confident145 Ų14595.2 Ų95.278%0.77549%0.488SS*.Hα-helixtrans-76.3-16.5178.5-67.7-29000113.8A368 Q369 L370A368-N372 PolarHBondContact O-N 2.92Å; A368-N372 PolarHBondContact O-ND2 3.09Å; Q369-N372 PolarHBondContact O-N 3.23Å; L370-N372 VanDerWaalsContact C-N 3.28Å; L370-N372 PolarHBondContact O-N 3.08Å
373K81.3Confident81.7Confident169 Ų16993.2 Ų93.274%0.73547%0.473SS*.Hα-helixtrans-93.8-24.6-177.9-76.1175.9-179.1178.30113.3Q369 L370 T371Q369-K373 WeakPolarHBondContact O-CG 3.44Å; Q369-K373 PolarHBondContact O-N 3.35Å; L370-K373 PolarHBondContact O-N 3.01Å; L370-K373 VanDerWaalsContact O-N 3.09Å; T371-K373 VanDerWaalsContact C-N 3.31Å; T371-K373 PolarHBondContact O-N 3.47Å
374C81.6Confident81.8Confident28 Ų2893.9 Ų93.919%0.18947%0.471CS..  trans-96.3150.1-175.9-66.60000112.1L370 D378 Y382L370-C374 PolarHBondContact O-N 3.32Å; C374-D378 HydrophobicContact CB-CB 4.47Å; C374-Y382 HydrophobicContact CB-CD2 4Å
375T78.9Confident81.8Confident87 Ų8789.1 Ų89.153%0.53445%0.45SS..  trans-114.8172.7172.161.10000110.4D377 D378T375-D377 PolarHBondContact O-N 2.76Å; T375-D378 PolarHBondContact O-N 3.27Å
376D75.7Confident81.8Confident142 Ų14286.9 Ų86.976%0.75944%0.437SS*.G310 helixtrans-59.1-20.4-176.5-69.4-17.3000113.7D378 L379D376-D378 VanDerWaalsContact C-N 3.34Å; D376-L379 VanDerWaalsContact O-CD1 3.26Å; D376-L379 WeakPolarHBondContact O-CD1 3.31Å; D376-L379 VanDerWaalsContact O-CG 3.31Å; D376-L379 WeakPolarHBondContact O-CG 3.21Å
377D77.1Confident81.8Confident156 Ų15683.1 Ų83.183%0.83442%0.423SS*.G310 helixtrans-78.3-14.9177.5-65.5-33.1000113.2T375T375-D377 PolarHBondContact O-N 2.76Å
378D82Confident81.7Confident75 Ų7585.5 Ų85.540%0.40143%0.433SS..G310 helixtrans-10821.2-173.9-64.7-47.3000114C374 T375 D376 E380 F381 Y382C374-D378 HydrophobicContact CB-CB 4.47Å; T375-D378 PolarHBondContact O-N 3.27Å; D376-D378 VanDerWaalsContact C-N 3.34Å; D378-E380 VanDerWaalsContact C-N 3.29Å; D378-E380 PolarHBondContact O-N 3.43Å; D378-F381 WeakPolarHBondContact O-CB 3.49Å; D378-F381 PolarHBondContact O-N 2.96Å; D378-F381 VanDerWaalsContact O-N 3.08Å; D378-Y382 PolarHBondContact O-N 3.45Å
379L79.6Confident81.7Confident108 Ų10883.9 Ų83.957%0.56542%0.417SS*.Hα-helixtrans-55-39.1-172.3-77.5164.3000114.1D376 Y382 V383D376-L379 VanDerWaalsContact O-CD1 3.26Å; D376-L379 WeakPolarHBondContact O-CD1 3.31Å; D376-L379 VanDerWaalsContact O-CG 3.31Å; D376-L379 WeakPolarHBondContact O-CG 3.21Å; L379-Y382 PolarHBondContact O-N 2.98Å; L379-V383 WeakPolarHBondContact O-CG2 3.49Å; L379-V383 PolarHBondContact O-N 3.43Å; L379-V383 VanDerWaalsContact O-N 3.1Å
380E81.3Confident81.7Confident133 Ų13382.9 Ų82.962%0.62141%0.414SS*.Hα-helixtrans-67.7-40.4179.7-174.3171.4-17600112.1D378 R384 A403D378-E380 VanDerWaalsContact C-N 3.29Å; D378-E380 PolarHBondContact O-N 3.43Å; E380-R384 WeakPolarHBondContact O-CB 3.48Å; E380-R384 PolarHBondContact O-N 3.18Å; E380-A403 HydrophobicContact CG-CB 4.11Å
381F82.1Confident81.4Confident113 Ų11383.2 Ų83.250%0.49642%0.423SS..Hα-helixtrans-66.7-42176176.8-97.6000111.3D378 R384 K385D378-F381 WeakPolarHBondContact O-CB 3.49Å; D378-F381 PolarHBondContact O-N 2.96Å; D378-F381 VanDerWaalsContact O-N 3.08Å; F381-R384 PolarHBondContact O-N 3.24Å; F381-K385 HydrophobicContact CD1-CG 4.39Å; F381-K385 HydrophobicContact CD2-CG 4.45Å; F381-K385 HydrophobicContact CE1-CG 3.96Å; F381-K385 HydrophobicContact CE2-CG 4.03Å; F381-K385 HydrophobicContact CZ-CD 4.34Å; F381-K385 HydrophobicContact CZ-CG 3.77Å; F381-K385 WeakPolarHBondContact O-CB 3.5Å; F381-K385 PolarHBondContact O-N 3.28Å
382Y84.9Confident81.1Confident64 Ų6480.3 Ų80.325%0.25141%0.405SS..Hα-helixtrans-57.7-52.2177.4178.5-103.3000111.6L370 T371 C374 D378 L379 R384 K385 C386L370-Y382 HydrophobicContact CB-CE2 4.42Å; L370-Y382 HydrophobicContact CD2-CD2 3.44Å; L370-Y382 VanDerWaalsContact CD2-CD2 3.44Å; L370-Y382 HydrophobicContact CD2-CE2 3.6Å; L370-Y382 HydrophobicContact CD2-CG 4.29Å; L370-Y382 HydrophobicContact CG-CD2 3.96Å; L370-Y382 HydrophobicContact CG-CE2 4.13Å; T371-Y382 PolarHBondContact OG1-OH 3.11Å; T371-Y382 VanDerWaalsContact OG1-OH 3.04Å; C374-Y382 HydrophobicContact CB-CD2 4Å; D378-Y382 PolarHBondContact O-N 3.45Å; L379-Y382 PolarHBondContact O-N 2.98Å; Y382-R384 VanDerWaalsContact C-N 3.33Å; Y382-R384 PolarHBondContact O-N 2.89Å; Y382-K385 PolarHBondContact O-N 3.12Å; Y382-C386 PolarHBondContact O-N 3.09Å; Y382-C386 PolarHBondContact O-SG 2.9Å
383V84.7Confident80.4Confident26 Ų2673.9 Ų73.916%0.15837%0.372CS..Hα-helixtrans-63.1-39.6-178.9174.80000111.8L379 C386 G387 A403 I406 L407L379-V383 WeakPolarHBondContact O-CG2 3.49Å; L379-V383 PolarHBondContact O-N 3.43Å; L379-V383 VanDerWaalsContact O-N 3.1Å; V383-C386 PolarHBondContact O-N 2.84Å; V383-G387 PolarHBondContact O-N 3.05Å; V383-A403 HydrophobicContact CB-CB 3.81Å; V383-A403 HydrophobicContact CG1-CB 3.7Å; V383-A403 WeakPolarHBondContact CG1-O 3.34Å; V383-I406 HydrophobicContact CG1-CB 4.43Å; V383-I406 HydrophobicContact CG1-CG2 4.43Å; V383-L407 HydrophobicContact CG1-CD1 4.25Å; V383-L407 HydrophobicContact CG1-CD2 4.33Å; V383-L407 HydrophobicContact CG1-CG 3.9Å
384R83.2Confident80Confident126 Ų12670.8 Ų70.848%0.47537%0.368SS..Hα-helixtrans-65.3-41.6178.3-174.2173.6172.5173.9-0.5112.2E380 F381 Y382 G387 E388 I406E380-R384 WeakPolarHBondContact O-CB 3.48Å; E380-R384 PolarHBondContact O-N 3.18Å; F381-R384 PolarHBondContact O-N 3.24Å; Y382-R384 VanDerWaalsContact C-N 3.33Å; Y382-R384 PolarHBondContact O-N 2.89Å; R384-G387 PolarHBondContact O-N 2.97Å; R384-E388 PolarHBondContact O-N 2.91Å; R384-E388 VanDerWaalsContact O-N 3.14Å; R384-I406 HydrophobicContact CB-CD1 4.48Å; R384-I406 HydrophobicContact CG-CD1 4.49Å
385K82.3Confident79.4Confident74 Ų7476.3 Ų76.332%0.32239%0.389SS..Hα-helixtrans-70.7-36.1177.7-76.2-72170.8-1640112.6L370 F381 Y382 G387 E388 I389L370-K385 HydrophobicContact CD1-CB 3.63Å; L370-K385 HydrophobicContact CD1-CG 4.21Å; L370-K385 HydrophobicContact CD2-CB 3.78Å; L370-K385 HydrophobicContact CG-CB 4.37Å; F381-K385 HydrophobicContact CD1-CG 4.39Å; F381-K385 HydrophobicContact CD2-CG 4.45Å; F381-K385 HydrophobicContact CE1-CG 3.96Å; F381-K385 HydrophobicContact CE2-CG 4.03Å; F381-K385 HydrophobicContact CZ-CD 4.34Å; F381-K385 HydrophobicContact CZ-CG 3.77Å; F381-K385 WeakPolarHBondContact O-CB 3.5Å; F381-K385 PolarHBondContact O-N 3.28Å; Y382-K385 PolarHBondContact O-N 3.12Å; K385-G387 VanDerWaalsContact C-N 3.31Å; K385-G387 PolarHBondContact O-N 3.39Å; K385-E388 WeakPolarHBondContact CD-OE2 3.49Å; K385-E388 IonicContact NZ-OE2 2.76Å; K385-E388 PolarHBondContact NZ-OE2 3.08Å; K385-E388 PolarHBondContact O-N 3.25Å; K385-I389 WeakPolarHBondContact O-CG1 3.43Å; K385-I389 PolarHBondContact O-N 3.4Å
386C83.1Confident78.9Confident19 Ų1973.5 Ų73.513%0.12837%0.371CS..Hα-helixtrans-59.7-41.6169.7-68.30000112L367 L370 Y382 V383 E388 I389 L390L367-C386 HydrophobicContact CD2-CB 3.85Å; L367-C386 VanDerWaalsContact CD2-SG 3.53Å; L370-C386 WeakPolarHBondContact CD2-SG 3.34Å; Y382-C386 PolarHBondContact O-N 3.09Å; Y382-C386 PolarHBondContact O-SG 2.9Å; V383-C386 PolarHBondContact O-N 2.84Å; C386-E388 VanDerWaalsContact C-N 3.34Å; C386-E388 PolarHBondContact O-N 2.98Å; C386-I389 PolarHBondContact O-N 3.31Å; C386-L390 WeakPolarHBondContact O-CB 3.38Å; C386-L390 WeakPolarHBondContact O-CG 3.35Å; C386-L390 PolarHBondContact O-N 3.04Å
387G81.8Confident78.6Confident0 Ų072.7 Ų72.70%037%0.366CS..Hα-helixtrans-63-35.5175.800000113.9V383 R384 K385 G391 V392 T393V383-G387 PolarHBondContact O-N 3.05Å; R384-G387 PolarHBondContact O-N 2.97Å; K385-G387 VanDerWaalsContact C-N 3.31Å; K385-G387 PolarHBondContact O-N 3.39Å; G387-G391 PolarHBondContact O-N 3.14Å; G387-V392 PolarHBondContact O-N 3.15Å; G387-T393 PolarHBondContact O-OG1 3.17Å
388E81.3Confident77.9Confident90 Ų9074.1 Ų74.142%0.42137%0.365SS..Hα-helixtrans-67.8-45.2172.5-90.3179.9169.300112.3R384 K385 C386 L390 G391 T393R384-E388 PolarHBondContact O-N 2.91Å; R384-E388 VanDerWaalsContact O-N 3.14Å; K385-E388 WeakPolarHBondContact CD-OE2 3.49Å; K385-E388 IonicContact NZ-OE2 2.76Å; K385-E388 PolarHBondContact NZ-OE2 3.08Å; K385-E388 PolarHBondContact O-N 3.25Å; C386-E388 VanDerWaalsContact C-N 3.34Å; C386-E388 PolarHBondContact O-N 2.98Å; E388-L390 VanDerWaalsContact C-N 3.29Å; E388-L390 PolarHBondContact O-N 3.24Å; E388-G391 PolarHBondContact O-N 2.98Å; E388-G391 VanDerWaalsContact O-N 3.16Å; E388-T393 WeakPolarHBondContact CA-OG1 3.06Å; E388-T393 HydrophobicContact CG-CG2 4.35Å; E388-T393 WeakPolarHBondContact CG-OG1 3.36Å; E388-T393 PolarHBondContact N-OG1 3.43Å
389I82.6Confident77Confident18 Ų1878.8 Ų78.89%0.09239%0.385CS..Hα-helixtrans-63.2-37.5179.8-66.6163.5000111E363 R366 L367 K385 C386 G391E363-I389 HydrophobicContact CB-CG2 4.21Å; R366-I389 HydrophobicContact CB-CD1 4Å; R366-I389 HydrophobicContact CB-CG1 4.37Å; R366-I389 HydrophobicContact CB-CG2 3.94Å; L367-I389 HydrophobicContact CD2-CB 4.34Å; L367-I389 HydrophobicContact CD2-CD1 4.15Å; L367-I389 HydrophobicContact CD2-CG2 4.29Å; L367-I389 HydrophobicContact CG-CG2 4.1Å; K385-I389 WeakPolarHBondContact O-CG1 3.43Å; K385-I389 PolarHBondContact O-N 3.4Å; C386-I389 PolarHBondContact O-N 3.31Å; I389-G391 VanDerWaalsContact C-N 3.29Å; I389-G391 PolarHBondContact O-N 3.08Å
390L80.6Confident76.3Confident73 Ų7378 Ų7838%0.38238%0.378SS..THydrogen-bonded Turntrans-83.82.1178.9-67.2170.1000113.9L367 C386 E388 V392L367-L390 HydrophobicContact CD1-CD2 4.17Å; L367-L390 HydrophobicContact CD1-CG 4.46Å; C386-L390 WeakPolarHBondContact O-CB 3.38Å; C386-L390 WeakPolarHBondContact O-CG 3.35Å; C386-L390 PolarHBondContact O-N 3.04Å; E388-L390 VanDerWaalsContact C-N 3.29Å; E388-L390 PolarHBondContact O-N 3.24Å; L390-V392 VanDerWaalsContact C-N 3.28Å; L390-V392 HydrophobicContact CB-CG2 4Å; L390-V392 PolarHBondContact O-N 3.02Å
391G78.4Confident75.6Confident30 Ų3075.8 Ų75.831%0.30936%0.364SS..THydrogen-bonded Turntrans65.726.317800000114.6G387 E388 I389 P394G387-G391 PolarHBondContact O-N 3.14Å; E388-G391 PolarHBondContact O-N 2.98Å; E388-G391 VanDerWaalsContact O-N 3.16Å; I389-G391 VanDerWaalsContact C-N 3.29Å; I389-G391 PolarHBondContact O-N 3.08Å; G391-P394 WeakPolarHBondContact O-CD 3.29Å
392V77.2Confident75.4Confident10 Ų1074.5 Ų74.56%0.06136%0.362CS..  trans-85.4-30.6179.7-177.30000111.3G387 L390 P394 K395 L396 H409G387-V392 PolarHBondContact O-N 3.15Å; L390-V392 VanDerWaalsContact C-N 3.28Å; L390-V392 HydrophobicContact CB-CG2 4Å; L390-V392 PolarHBondContact O-N 3.02Å; V392-P394 VanDerWaalsContact C-CD 3.49Å; V392-K395 WeakPolarHBondContact O-CB 2.97Å; V392-K395 PolarHBondContact O-N 3.48Å; V392-L396 HydrophobicContact CG1-CD1 3.91Å; V392-H409 HydrophobicContact CG1-CB 4.4Å; V392-H409 VanDerWaalsContact CG1-CD2 3.5Å; V392-H409 WeakPolarHBondContact CG1-CD2 3.37Å
393T69.8Low75Confident11 Ų1172.2 Ų72.27%0.06736%0.357CS..G310 helixtrans-54.9-38.6179.9-37.80000116.1G387 E388 K395G387-T393 PolarHBondContact O-OG1 3.17Å; E388-T393 WeakPolarHBondContact CA-OG1 3.06Å; E388-T393 HydrophobicContact CG-CG2 4.35Å; E388-T393 WeakPolarHBondContact CG-OG1 3.36Å; E388-T393 PolarHBondContact N-OG1 3.43Å; T393-K395 VanDerWaalsContact C-N 3.27Å; T393-K395 PolarHBondContact O-N 3.37Å
394P70.9Confident74.9Confident103 Ų10379.2 Ų79.267%0.66939%0.385SS*.G310 helixtrans-74.8-12.2175.827.8-34.1000114.2G391 V392G391-P394 WeakPolarHBondContact O-CD 3.29Å; V392-P394 VanDerWaalsContact C-CD 3.49Å
395K69.1Low74.7Confident145 Ų14575.9 Ų75.963%0.6338%0.375SS*.G310 helixtrans-91-4.9177.8-59.7179.6-178.8175.50113.2V392 T393V392-K395 WeakPolarHBondContact O-CB 2.97Å; V392-K395 PolarHBondContact O-N 3.48Å; T393-K395 VanDerWaalsContact C-N 3.27Å; T393-K395 PolarHBondContact O-N 3.37Å
396L69Low74.7Confident28 Ų2872.5 Ų72.515%0.14736%0.36CS..SBendtrans-107.8142.9-179.5-73.5154.7000110.5V392 H405 I406V392-L396 HydrophobicContact CG1-CD1 3.91Å; L396-H405 HydrophobicContact CD2-CB 4.39Å; L396-I406 HydrophobicContact CD1-CG1 3.85Å
397D70.3Confident74.7Confident124 Ų12475 Ų7566%0.66337%0.372SS*.  trans-60.2148176.9-73.1-39.6000112E399 H400D397-E399 PolarHBondContact O-N 3.2Å; D397-H400 PolarHBondContact O-N 3.38Å
398K62.7Low74.7Confident186 Ų18681.2 Ų81.281%0.80940%0.401SS*.THydrogen-bonded Turntrans-59.6-21.6-172.3-70-179.3-179.1176.10114
399E63Low74.7Confident174 Ų17479.5 Ų79.581%0.81339%0.393SS*.THydrogen-bonded Turntrans-94.6-8-178.2-61.4-172.9172.300113.7D397D397-E399 PolarHBondContact O-N 3.2Å
400H63.3Low74.6Confident90 Ų9081.1 Ų81.142%0.41740%0.401SS..  trans-124.151.3-175.4-65.8-62.3000112.8D397 H405D397-H400 PolarHBondContact O-N 3.38Å; H400-H405 AromaticContact ND1-CE1 3.74Å; H400-H405 AromaticContact ND1-NE2 3.53Å; H400-H405 WeakPolarHBondContact O-CB 3.25Å
401R68.2Low74.8Confident88 Ų8884 Ų8433%0.33241%0.41SS..  trans-99.226.9179-65.7-176.3175.6-173.3-2.6114.1
402D77.6Confident75Confident86 Ų8688.5 Ų88.546%0.4642%0.422SS..SBendtrans-81154.3176.9-62.7-19.3000111.1K404 H405 I406D402-K404 PolarHBondContact O-N 3.28Å; D402-H405 PolarHBondContact O-N 3.18Å; D402-I406 PolarHBondContact O-N 3.12Å
403A76.9Confident75.1Confident16 Ų1692.2 Ų92.213%0.13244%0.438CS..Hα-helixtrans-51.9-32.9-179.200000113.6E380 V383 L407E380-A403 HydrophobicContact CG-CB 4.11Å; V383-A403 HydrophobicContact CB-CB 3.81Å; V383-A403 HydrophobicContact CG1-CB 3.7Å; V383-A403 WeakPolarHBondContact CG1-O 3.34Å; A403-L407 WeakPolarHBondContact O-CG 3.31Å; A403-L407 PolarHBondContact O-N 3.3Å
404K81.7Confident75.7Confident173 Ų17395.4 Ų95.475%0.75246%0.458SS*.Hα-helixtrans-65.9-41.7178.6-66.5-179.7-179.11750113.1D402 L407 E408D402-K404 PolarHBondContact O-N 3.28Å; K404-L407 PolarHBondContact O-N 3.13Å; K404-E408 WeakPolarHBondContact O-CB 3.47Å; K404-E408 PolarHBondContact O-N 2.99Å
405H79.6Confident76.3Confident56 Ų5694 Ų9426%0.25945%0.447SS..Hα-helixtrans-73-33.5-178-62.395.2000111.7L396 H400 D402 E408 H409L396-H405 HydrophobicContact CD2-CB 4.39Å; H400-H405 AromaticContact ND1-CE1 3.74Å; H400-H405 AromaticContact ND1-NE2 3.53Å; H400-H405 WeakPolarHBondContact O-CB 3.25Å; D402-H405 PolarHBondContact O-N 3.18Å; H405-E408 PolarHBondContact O-N 3.45Å; H405-H409 PolarHBondContact O-N 3.31Å
406I81.6Confident76.8Confident3 Ų391.8 Ų91.82%0.01544%0.439CS..Hα-helixtrans-63.8-45.7173.7-63.4171000110.1V383 R384 L396 D402 H409 I410V383-I406 HydrophobicContact CG1-CB 4.43Å; V383-I406 HydrophobicContact CG1-CG2 4.43Å; R384-I406 HydrophobicContact CB-CD1 4.48Å; R384-I406 HydrophobicContact CG-CD1 4.49Å; L396-I406 HydrophobicContact CD1-CG1 3.85Å; D402-I406 PolarHBondContact O-N 3.12Å; I406-H409 PolarHBondContact O-N 3.02Å; I406-I410 HydrophobicContact CG2-CD1 4.03Å; I406-I410 WeakPolarHBondContact O-CG1 3.31Å; I406-I410 PolarHBondContact O-N 3.39Å; I406-I410 VanDerWaalsContact O-N 3.13Å
407L82.3Confident77.2Confident71 Ų7197 Ų9737%0.37246%0.461SS..Hα-helixtrans-65.2-42.6176.8-72.5172.3000112V383 A403 K404 H409 I410 F411V383-L407 HydrophobicContact CG1-CD1 4.25Å; V383-L407 HydrophobicContact CG1-CD2 4.33Å; V383-L407 HydrophobicContact CG1-CG 3.9Å; A403-L407 WeakPolarHBondContact O-CG 3.31Å; A403-L407 PolarHBondContact O-N 3.3Å; K404-L407 PolarHBondContact O-N 3.13Å; L407-H409 VanDerWaalsContact C-N 3.34Å; L407-H409 PolarHBondContact O-N 3.15Å; L407-I410 PolarHBondContact O-N 2.9Å; L407-F411 HydrophobicContact CB-CD2 4.2Å; L407-F411 HydrophobicContact CB-CE2 4.12Å; L407-F411 HydrophobicContact CD2-CE2 4.39Å; L407-F411 WeakPolarHBondContact O-CB 3.31Å; L407-F411 WeakPolarHBondContact O-CD2 3.38Å; L407-F411 PolarHBondContact O-N 3.48Å
408E82.3Confident77.4Confident131 Ų13198.1 Ų98.161%0.61246%0.46SS*.Hα-helixtrans-56.7-46.5176-177.4175.9-162.600111.8K404 H405 I410 F411 F412K404-E408 WeakPolarHBondContact O-CB 3.47Å; K404-E408 PolarHBondContact O-N 2.99Å; H405-E408 PolarHBondContact O-N 3.45Å; E408-I410 PolarHBondContact O-N 3.08Å; E408-F411 PolarHBondContact O-N 2.65Å; E408-F412 WeakPolarHBondContact O-CB 3.16Å; E408-F412 PolarHBondContact O-N 3.01Å
409H81Confident78Confident54 Ų5495.6 Ų95.625%0.2545%0.449CS..Hα-helixtrans-62-42.9177.7-171.678.5000112.4V392 H405 I406 L407 F412 Q413V392-H409 HydrophobicContact CG1-CB 4.4Å; V392-H409 VanDerWaalsContact CG1-CD2 3.5Å; V392-H409 WeakPolarHBondContact CG1-CD2 3.37Å; H405-H409 PolarHBondContact O-N 3.31Å; I406-H409 PolarHBondContact O-N 3.02Å; L407-H409 VanDerWaalsContact C-N 3.34Å; L407-H409 PolarHBondContact O-N 3.15Å; H409-F412 PolarHBondContact O-N 3.22Å; H409-Q413 PolarHBondContact NE2-NE2 2.77Å; H409-Q413 PolarHBondContact O-N 3.21Å; H409-Q413 VanDerWaalsContact O-N 3.11Å
410I81.9Confident77.8Confident52 Ų5293.9 Ų93.927%0.26744%0.444SS..Hα-helixtrans-65.9-44.9177.4-67.3168.9000110.5I406 L407 E408 F412 Q413 V414I406-I410 HydrophobicContact CG2-CD1 4.03Å; I406-I410 WeakPolarHBondContact O-CG1 3.31Å; I406-I410 PolarHBondContact O-N 3.39Å; I406-I410 VanDerWaalsContact O-N 3.13Å; L407-I410 PolarHBondContact O-N 2.9Å; E408-I410 PolarHBondContact O-N 3.08Å; I410-F412 VanDerWaalsContact C-N 3.3Å; I410-F412 PolarHBondContact O-N 3.12Å; I410-Q413 PolarHBondContact O-N 3.46Å; I410-V414 HydrophobicContact CG2-CG2 4.4Å; I410-V414 WeakPolarHBondContact O-CG2 3.32Å; I410-V414 PolarHBondContact O-N 3.19Å
411F83.3Confident77.6Confident132 Ų13294.1 Ų94.158%0.57945%0.449SS*.Hα-helixtrans-63.5-37.7178.1-78.6-58.5000112L407 E408 V414 V415L407-F411 HydrophobicContact CB-CD2 4.2Å; L407-F411 HydrophobicContact CB-CE2 4.12Å; L407-F411 HydrophobicContact CD2-CE2 4.39Å; L407-F411 WeakPolarHBondContact O-CB 3.31Å; L407-F411 WeakPolarHBondContact O-CD2 3.38Å; L407-F411 PolarHBondContact O-N 3.48Å; E408-F411 PolarHBondContact O-N 2.65Å; F411-V414 PolarHBondContact O-N 3.39Å; F411-V415 WeakPolarHBondContact O-CB 3.27Å; F411-V415 VanDerWaalsContact O-CG2 3.26Å; F411-V415 WeakPolarHBondContact O-CG2 3.5Å; F411-V415 PolarHBondContact O-N 3.21Å
412F83.7Confident77Confident125 Ų12596.5 Ų96.555%0.54846%0.464SS..Hα-helixtrans-61-46.6174.2-167-92.5000111.5E408 H409 I410 V414 V415 E416E408-F412 WeakPolarHBondContact O-CB 3.16Å; E408-F412 PolarHBondContact O-N 3.01Å; H409-F412 PolarHBondContact O-N 3.22Å; I410-F412 VanDerWaalsContact C-N 3.3Å; I410-F412 PolarHBondContact O-N 3.12Å; F412-V414 PolarHBondContact O-N 3.02Å; F412-V415 PolarHBondContact O-N 3.35Å; F412-E416 HydrophobicContact CD1-CG 4.19Å; F412-E416 VanDerWaalsContact CE1-CD 3.48Å; F412-E416 HydrophobicContact CE1-CG 3.87Å; F412-E416 WeakPolarHBondContact CE1-OE1 3.38Å; F412-E416 HydrophobicContact CZ-CG 4.46Å; F412-E416 PolarHBondContact O-N 3.15Å
413Q79.4Confident75.6Confident88 Ų88100.6 Ų100.641%0.41148%0.48SS..Hα-helixtrans-62.8-39.4175.9-73.6-175.4-4.600112.9H409 I410 V415 E416 F417H409-Q413 PolarHBondContact NE2-NE2 2.77Å; H409-Q413 PolarHBondContact O-N 3.21Å; H409-Q413 VanDerWaalsContact O-N 3.11Å; I410-Q413 PolarHBondContact O-N 3.46Å; Q413-V415 VanDerWaalsContact C-N 3.33Å; Q413-V415 PolarHBondContact O-N 3.43Å; Q413-E416 PolarHBondContact O-N 2.98Å; Q413-F417 VanDerWaalsContact O-CB 3.28Å; Q413-F417 WeakPolarHBondContact O-CB 3.44Å; Q413-F417 PolarHBondContact O-N 3.35Å
414V81.8Confident74Confident78 Ų78108.1 Ų108.147%0.47351%0.512SS..Hα-helixtrans-65-39.1175.6171.70000111I410 F411 F412 K418I410-V414 HydrophobicContact CG2-CG2 4.4Å; I410-V414 WeakPolarHBondContact O-CG2 3.32Å; I410-V414 PolarHBondContact O-N 3.19Å; F411-V414 PolarHBondContact O-N 3.39Å; F412-V414 PolarHBondContact O-N 3.02Å; V414-K418 VanDerWaalsContact O-CB 3.3Å; V414-K418 WeakPolarHBondContact O-CB 3.45Å; V414-K418 PolarHBondContact O-N 2.99Å
415V84.8Confident72.1Confident73 Ų73107.1 Ų107.144%0.44252%0.515SS..Hα-helixtrans-66.8-43.6176.1169.30000111F411 F412 Q413 K418 K419F411-V415 WeakPolarHBondContact O-CB 3.27Å; F411-V415 VanDerWaalsContact O-CG2 3.26Å; F411-V415 WeakPolarHBondContact O-CG2 3.5Å; F411-V415 PolarHBondContact O-N 3.21Å; F412-V415 PolarHBondContact O-N 3.35Å; Q413-V415 VanDerWaalsContact C-N 3.33Å; Q413-V415 PolarHBondContact O-N 3.43Å; V415-K418 PolarHBondContact O-N 2.9Å; V415-K419 HydrophobicContact CG1-CD 4.36Å; V415-K419 WeakPolarHBondContact O-CG 3.45Å; V415-K419 PolarHBondContact O-N 3Å
416E78.7Confident69.9Low99 Ų99113.6 Ų113.646%0.46354%0.543SS..Hα-helixtrans-62.3-44.9174-76.6-164.2147.200112.2F412 Q413 K418 K419 L420F412-E416 HydrophobicContact CD1-CG 4.19Å; F412-E416 VanDerWaalsContact CE1-CD 3.48Å; F412-E416 HydrophobicContact CE1-CG 3.87Å; F412-E416 WeakPolarHBondContact CE1-OE1 3.38Å; F412-E416 HydrophobicContact CZ-CG 4.46Å; F412-E416 PolarHBondContact O-N 3.15Å; Q413-E416 PolarHBondContact O-N 2.98Å; E416-K418 VanDerWaalsContact C-N 3.29Å; E416-K418 PolarHBondContact O-N 3.17Å; E416-K419 WeakPolarHBondContact O-CB 3.49Å; E416-K419 PolarHBondContact O-N 3.23Å; E416-L420 PolarHBondContact O-N 2.99Å
417F77Confident67.6Low139 Ų139121.3 Ų121.361%0.6158%0.584SS**Hα-helixtrans-59.6-41.3175.9-176.7-100000111.8Q413 L420 N421Q413-F417 VanDerWaalsContact O-CB 3.28Å; Q413-F417 WeakPolarHBondContact O-CB 3.44Å; Q413-F417 PolarHBondContact O-N 3.35Å; F417-L420 PolarHBondContact O-N 3.26Å; F417-N421 WeakPolarHBondContact CE1-ND2 3.45Å; F417-N421 WeakPolarHBondContact CZ-ND2 3.25Å; F417-N421 PolarHBondContact O-N 2.97Å
418K75.2Confident65.5Low147 Ų147123.3 Ų123.364%0.63960%0.601SS**Hα-helixtrans-72.6-28.5178.3-158.3175.1-175.2179.70112.8V414 V415 E416V414-K418 VanDerWaalsContact O-CB 3.3Å; V414-K418 WeakPolarHBondContact O-CB 3.45Å; V414-K418 PolarHBondContact O-N 2.99Å; V415-K418 PolarHBondContact O-N 2.9Å; E416-K418 VanDerWaalsContact C-N 3.29Å; E416-K418 PolarHBondContact O-N 3.17Å
419K75.2Confident63.3Low132 Ų132125.6 Ų125.657%0.57461%0.612SS**Hα-helixtrans-68.1-40.7170.8-76.5174.7-179.7177.90111.7V415 E416 N421 Q422V415-K419 HydrophobicContact CG1-CD 4.36Å; V415-K419 WeakPolarHBondContact O-CG 3.45Å; V415-K419 PolarHBondContact O-N 3Å; E416-K419 WeakPolarHBondContact O-CB 3.49Å; E416-K419 PolarHBondContact O-N 3.23Å; K419-N421 VanDerWaalsContact C-N 3.29Å; K419-N421 PolarHBondContact O-N 3.25Å; K419-Q422 PolarHBondContact O-N 3.14Å
420L58.7Low61Low138 Ų138128.9 Ų128.972%0.72364%0.636SS**Hα-helixtrans-62.4-35.7176.1-11290.8000112.6E416 F417 Q422E416-L420 PolarHBondContact O-N 2.99Å; F417-L420 PolarHBondContact O-N 3.26Å; L420-Q422 VanDerWaalsContact C-N 3.3Å; L420-Q422 PolarHBondContact O-N 3.31Å
421N58.7Low58.6Low95 Ų95135.9 Ų135.951%0.50867%0.668SS.*G310 helixtrans-83.23.7-179.5-72.5-20.7000114.6F417 K419 E423F417-N421 WeakPolarHBondContact CE1-ND2 3.45Å; F417-N421 WeakPolarHBondContact CZ-ND2 3.25Å; F417-N421 PolarHBondContact O-N 2.97Å; K419-N421 VanDerWaalsContact C-N 3.29Å; K419-N421 PolarHBondContact O-N 3.25Å; N421-E423 VanDerWaalsContact C-N 3.32Å
422Q55.2Low56.1Low138 Ų138138.2 Ų138.265%0.64568%0.678SS**G310 helixtrans-79.2-10.1175.8-81.8178.4-4.100113.9K419 L420 H424K419-Q422 PolarHBondContact O-N 3.14Å; L420-Q422 VanDerWaalsContact C-N 3.3Å; L420-Q422 PolarHBondContact O-N 3.31Å; Q422-H424 VanDerWaalsContact C-N 3.34Å; Q422-H424 PolarHBondContact O-N 3.27Å
423E47.8Very low53.6Low173 Ų173138.5 Ų138.581%0.80869%0.69SS**G310 helixtrans-86.27.2180-67.9-168.316300114.6N421N421-E423 VanDerWaalsContact C-N 3.32Å
424H44.6Very low51.7Low174 Ų174140.1 Ų140.181%0.80671%0.708SS**G310 helixtrans-116.95.7-178.3-82.724.7000116.1Q422Q422-H424 VanDerWaalsContact C-N 3.34Å; Q422-H424 PolarHBondContact O-N 3.27Å
425D41.3Very low49.4Very low152 Ų152148.3 Ų148.381%0.81375%0.748SS**  trans-116.256.8173.4-86.4-23.9000112
426F32.9Very low47.7Very low191 Ų191152.1 Ų152.184%0.83876%0.763SS**  trans-131.684.1164.1-96.6-82.8000110P428F426-P428 WeakPolarHBondContact O-CD 3.48Å
427D34.7Very low46Very low165 Ų165154.9 Ų154.988%0.88278%0.779SS**  trans-79.5122.3159.2-92.3-30.5000109.2
428P38.2Very low44.3Very low114 Ų114155.8 Ų155.874%0.7479%0.789SS**  trans-106.967.5174.638.8-27.8000110.8F426F426-P428 WeakPolarHBondContact O-CD 3.48Å
429E34.5Very low42.5Very low178 Ų178156.3 Ų156.383%0.83280%0.797SS**  trans-143.9103.3163.1-78.2-164.6165.800111.3
430T32.6Very low40.4Very low123 Ų123157.8 Ų157.876%0.75581%0.811SS**  trans-176.486135.723.10000109.2F432T430-F432 HydrophobicContact CG2-CD2 4.17Å; T430-F432 HydrophobicContact CG2-CE2 4.05Å; T430-F432 PolarHBondContact O-N 3.12Å
431Q32.5Very low39.2Very low199 Ų199159.1 Ų159.193%0.9382%0.817SS**  trans-69.1105.9153.8-79.2-178.2-11.400107.8
432F31.3Very low37.8Very low182 Ų182163.7 Ų163.780%0.79884%0.839SS**  trans-102.7112.4158.1-94.6-85.2000108.5T430T430-F432 HydrophobicContact CG2-CD2 4.17Å; T430-F432 HydrophobicContact CG2-CE2 4.05Å; T430-F432 PolarHBondContact O-N 3.12Å
433T29.6Very low36.5Very low131 Ų131165.7 Ų165.780%0.80485%0.854SS**  trans-72.6137.1163.836.10000110.1
434P40.2Very low35.5Very low121 Ų121165.1 Ų165.179%0.78686%0.858SS**  trans-98.9148.1155.526.7-12.4000110.8
435L34.2Very low34.7Very low251 Ų251164.3 Ų164.3100%1.31486%0.863SS**  trans-46.20170.7-83.8151.1000114.1

Retrieved 435 of 435 residues in 120.7 ms (Link to these results)

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