A0A087Y621_POEFO Loading...

Leucine-rich repeat-containing protein 14B

AlphaFold DB , UniProt , Accession A0A087Y621, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 531 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
1M82Confident93.6Very high208 Ų20873.1 Ų73.1100%1.02539%0.392SS*.  01510-74.6-168.9-7900108.7
2K93.3Very high93.7Very high91 Ų9171.2 Ų71.240%0.39638%0.378SS..BIsolated β-bridgetrans-94.9138.2175.5-70.1173.3170.3-174.40109.6F6 L7 E10 D70K2-F6 HydrophobicContact CB-CD1 4.2Å; K2-F6 HydrophobicContact CD-CD1 3.79Å; K2-F6 HydrophobicContact CD-CE1 4.05Å; K2-F6 HydrophobicContact CG-CD1 3.87Å; K2-F6 HydrophobicContact CG-CE1 4.36Å; K2-L7 HydrophobicContact CB-CD2 4.16Å; K2-L7 HydrophobicContact CB-CG 4.15Å; K2-L7 HydrophobicContact CD-CD2 4.02Å; K2-E10 WeakPolarHBondContact CD-OE2 3.27Å; K2-E10 IonicContact NZ-OE1 2.64Å; K2-E10 PolarHBondContact NZ-OE1 3.05Å; K2-E10 IonicContact NZ-OE2 2.86Å; K2-E10 PolarHBondContact NZ-OE2 3.32Å; K2-D70 WeakPolarHBondContact CA-O 3.19Å
3S94.9Very high93.7Very high28 Ų2865.7 Ų65.720%0.19635%0.349CS..  trans-73.3161.5174.378.60000111.3R5 F6 L7 D70S3-R5 PolarHBondContact O-N 3.2Å; S3-R5 PolarHBondContact OG-N 2.93Å; S3-F6 PolarHBondContact O-N 2.57Å; S3-F6 VanDerWaalsContact O-N 3.13Å; S3-F6 PolarHBondContact OG-N 3.02Å; S3-F6 VanDerWaalsContact OG-N 3.15Å; S3-L7 WeakPolarHBondContact O-CG 3.32Å; S3-L7 PolarHBondContact O-N 3.1Å; S3-D70 WeakPolarHBondContact CB-OD1 3.48Å; S3-D70 PolarHBondContact N-O 3.27Å; S3-D70 PolarHBondContact OG-OD1 2.87Å
4L94.4Very high93.5Very high145 Ų14570.6 Ų70.676%0.75937%0.369SS*.Hα-helixtrans-59-33172.8-173.966.4000111.9L7 A8L4-L7 PolarHBondContact O-N 2.89Å; L4-A8 WeakPolarHBondContact O-CB 3.36Å; L4-A8 PolarHBondContact O-N 3.46Å
5R94.4Very high93.1Very high125 Ų12570.9 Ų70.947%0.47238%0.375SS..Hα-helixtrans-64.6-42.9176.4-63.6178.865.5175.4-2.8111.3S3 A8 A9 L33S3-R5 PolarHBondContact O-N 3.2Å; S3-R5 PolarHBondContact OG-N 2.93Å; R5-A8 PolarHBondContact O-N 3.2Å; R5-A9 PolarHBondContact O-N 3Å; R5-L33 HydrophobicContact CB-CD1 4.06Å
6F95.8Very high92.2Very high0 Ų068.7 Ų68.70%037%0.374CS..Hα-helixtrans-68.2-42.5177.3-166.2-96.3000111.7K2 S3 A8 A9 E10 L33 K36 A37 L40 D70 C71K2-F6 HydrophobicContact CB-CD1 4.2Å; K2-F6 HydrophobicContact CD-CD1 3.79Å; K2-F6 HydrophobicContact CD-CE1 4.05Å; K2-F6 HydrophobicContact CG-CD1 3.87Å; K2-F6 HydrophobicContact CG-CE1 4.36Å; S3-F6 PolarHBondContact O-N 2.57Å; S3-F6 VanDerWaalsContact O-N 3.13Å; S3-F6 PolarHBondContact OG-N 3.02Å; S3-F6 VanDerWaalsContact OG-N 3.15Å; F6-A8 VanDerWaalsContact C-N 3.3Å; F6-A8 PolarHBondContact O-N 3.13Å; F6-A9 WeakPolarHBondContact O-CB 3.33Å; F6-A9 PolarHBondContact O-N 3.1Å; F6-A9 VanDerWaalsContact O-N 3.13Å; F6-E10 HydrophobicContact CD1-CG 4.07Å; F6-E10 VanDerWaalsContact CE1-CD 3.47Å; F6-E10 HydrophobicContact CE1-CG 3.81Å; F6-E10 HydrophobicContact CZ-CG 4.48Å; F6-E10 WeakPolarHBondContact O-CG 3.41Å; F6-E10 PolarHBondContact O-N 2.92Å; F6-L33 HydrophobicContact CD2-CD2 4.26Å; F6-K36 HydrophobicContact CE2-CB 4.08Å; F6-K36 HydrophobicContact CE2-CD 4.01Å; F6-K36 HydrophobicContact CE2-CG 3.97Å; F6-K36 HydrophobicContact CZ-CG 4.39Å; F6-A37 HydrophobicContact CE2-CB 4.34Å; F6-A37 HydrophobicContact CZ-CB 4.29Å; F6-L40 HydrophobicContact CE1-CD2 4.1Å; F6-L40 HydrophobicContact CZ-CD2 4.08Å; F6-D70 HydrophobicContact CB-CB 4.31Å; F6-D70 WeakPolarHBondContact CB-O 3.33Å; F6-C71 HydrophobicContact CD1-CB 4.2Å; F6-C71 HydrophobicContact CD2-CB 3.81Å; F6-C71 HydrophobicContact CE1-CB 4.23Å; F6-C71 HydrophobicContact CE2-CB 3.85Å; F6-C71 HydrophobicContact CG-CB 3.99Å; F6-C71 HydrophobicContact CZ-CB 4.06Å
7L95.3Very high91.7Very high88 Ų8870.8 Ų70.846%0.46140%0.395SS..Hα-helixtrans-61.7-38.3175-68.1171.7000112.1K2 S3 L4 E10 G11K2-L7 HydrophobicContact CB-CD2 4.16Å; K2-L7 HydrophobicContact CB-CG 4.15Å; K2-L7 HydrophobicContact CD-CD2 4.02Å; S3-L7 WeakPolarHBondContact O-CG 3.32Å; S3-L7 PolarHBondContact O-N 3.1Å; L4-L7 PolarHBondContact O-N 2.89Å; L7-E10 PolarHBondContact O-N 2.95Å; L7-G11 PolarHBondContact O-N 3.15Å
8A94.6Very high91.5Very high63 Ų6369.4 Ų69.452%0.52139%0.394SS..Hα-helixtrans-66-37.9173.800000112.2L4 R5 F6 G11 F12L4-A8 WeakPolarHBondContact O-CB 3.36Å; L4-A8 PolarHBondContact O-N 3.46Å; R5-A8 PolarHBondContact O-N 3.2Å; F6-A8 VanDerWaalsContact C-N 3.3Å; F6-A8 PolarHBondContact O-N 3.13Å; A8-G11 PolarHBondContact O-N 2.98Å; A8-F12 WeakPolarHBondContact O-CB 3.5Å; A8-F12 PolarHBondContact O-N 3.01Å
9A95.6Very high91.2Very high7 Ų765.8 Ų65.86%0.05837%0.374CS..Hα-helixtrans-62.3-44.8172.100000111.2R5 F6 G11 F12 I13 L33 L34 A37R5-A9 PolarHBondContact O-N 3Å; F6-A9 WeakPolarHBondContact O-CB 3.33Å; F6-A9 PolarHBondContact O-N 3.1Å; F6-A9 VanDerWaalsContact O-N 3.13Å; A9-G11 VanDerWaalsContact C-N 3.33Å; A9-G11 PolarHBondContact O-N 3.44Å; A9-F12 WeakPolarHBondContact O-CB 3.41Å; A9-F12 PolarHBondContact O-N 2.96Å; A9-I13 WeakPolarHBondContact O-CG2 3.45Å; A9-I13 PolarHBondContact O-N 3.4Å; A9-I13 VanDerWaalsContact O-N 3.07Å; A9-L33 HydrophobicContact CB-CB 4.32Å; A9-L34 HydrophobicContact CB-CD2 3.94Å; A9-A37 HydrophobicContact CB-CB 4.12Å
10E95.1Very high91Very high14 Ų1465.7 Ų65.77%0.06537%0.371CS..Hα-helixtrans-60.9-40.5174-69.4-175.2119.800112.2K2 F6 L7 I13 Q14 A37 H41K2-E10 WeakPolarHBondContact CD-OE2 3.27Å; K2-E10 IonicContact NZ-OE1 2.64Å; K2-E10 PolarHBondContact NZ-OE1 3.05Å; K2-E10 IonicContact NZ-OE2 2.86Å; K2-E10 PolarHBondContact NZ-OE2 3.32Å; F6-E10 HydrophobicContact CD1-CG 4.07Å; F6-E10 VanDerWaalsContact CE1-CD 3.47Å; F6-E10 HydrophobicContact CE1-CG 3.81Å; F6-E10 HydrophobicContact CZ-CG 4.48Å; F6-E10 WeakPolarHBondContact O-CG 3.41Å; F6-E10 PolarHBondContact O-N 2.92Å; L7-E10 PolarHBondContact O-N 2.95Å; E10-I13 WeakPolarHBondContact O-CG1 3.39Å; E10-Q14 VanDerWaalsContact O-CG 3.25Å; E10-Q14 WeakPolarHBondContact O-CG 3.35Å; E10-Q14 PolarHBondContact O-N 3.33Å; E10-A37 HydrophobicContact CG-CB 4.14Å; E10-H41 IonicContact OE1-CD2 3.64Å; E10-H41 IonicContact OE1-CE1 3.61Å; E10-H41 IonicContact OE1-NE2 2.67Å; E10-H41 PolarHBondContact OE1-NE2 3.32Å
11G94.6Very high90.7Very high35 Ų3565.2 Ų65.236%0.36138%0.381SS..Hα-helixtrans-64-41.1174.200000112.7L7 A8 A9 Q14L7-G11 PolarHBondContact O-N 3.15Å; A8-G11 PolarHBondContact O-N 2.98Å; A9-G11 VanDerWaalsContact C-N 3.33Å; A9-G11 PolarHBondContact O-N 3.44Å; G11-Q14 PolarHBondContact O-N 2.9Å
12F94.3Very high91.1Very high50 Ų5059.3 Ų59.322%0.21935%0.354CS..Hα-helixtrans-60.8-49.6177.5178.2-91.7000111.6A8 A9 Q14 T15 A19 N22 V26 L34 L46A8-F12 WeakPolarHBondContact O-CB 3.5Å; A8-F12 PolarHBondContact O-N 3.01Å; A9-F12 WeakPolarHBondContact O-CB 3.41Å; A9-F12 PolarHBondContact O-N 2.96Å; F12-Q14 PolarHBondContact O-N 3.13Å; F12-T15 PolarHBondContact O-N 2.88Å; F12-T15 VanDerWaalsContact O-N 3.14Å; F12-T15 PolarHBondContact O-OG1 2.89Å; F12-A19 HydrophobicContact CD1-CB 4.04Å; F12-A19 HydrophobicContact CE1-CB 3.68Å; F12-A19 HydrophobicContact CZ-CB 4.03Å; F12-A19 WeakPolarHBondContact CZ-O 3.5Å; F12-A19 WeakPolarHBondContact O-CB 3.37Å; F12-N22 HydrophobicContact CE2-CB 4.33Å; F12-N22 HydrophobicContact CZ-CB 4.46Å; F12-V26 HydrophobicContact CE2-CG2 4.1Å; F12-V26 HydrophobicContact CZ-CG2 3.81Å; F12-L34 HydrophobicContact CB-CD2 4.14Å; F12-L34 HydrophobicContact CD1-CD1 4.27Å; F12-L34 HydrophobicContact CD1-CD2 3.47Å; F12-L34 VanDerWaalsContact CD1-CD2 3.47Å; F12-L34 HydrophobicContact CE1-CD1 4.17Å; F12-L34 HydrophobicContact CE1-CD2 4.16Å; F12-L34 HydrophobicContact CG-CD2 4.05Å; F12-L46 HydrophobicContact CE1-CD2 4.42Å
13I93.8Very high90.9Very high0 Ų055.4 Ų55.40%034%0.337CS..Hα-helixtrans-66.6-26.3-176.367.6173.3000112.5A9 E10 T15 G16 L34 A37 C38 H41 Q43 L46A9-I13 WeakPolarHBondContact O-CG2 3.45Å; A9-I13 PolarHBondContact O-N 3.4Å; A9-I13 VanDerWaalsContact O-N 3.07Å; E10-I13 WeakPolarHBondContact O-CG1 3.39Å; I13-T15 PolarHBondContact O-N 3.22Å; I13-G16 PolarHBondContact O-N 3.14Å; I13-L34 HydrophobicContact CG2-CD2 4.01Å; I13-A37 VanDerWaalsContact CD1-C 3.45Å; I13-A37 HydrophobicContact CD1-CB 3.84Å; I13-A37 VanDerWaalsContact CD1-O 3.3Å; I13-A37 WeakPolarHBondContact CD1-O 3.37Å; I13-A37 HydrophobicContact CG2-CB 4.49Å; I13-C38 WeakPolarHBondContact CG2-SG 3.42Å; I13-H41 HydrophobicContact CD1-CB 3.97Å; I13-Q43 HydrophobicContact CB-CG 4.28Å; I13-Q43 HydrophobicContact CD1-CG 4.01Å; I13-Q43 HydrophobicContact CG1-CG 4.37Å; I13-L46 HydrophobicContact CB-CD2 3.85Å; I13-L46 HydrophobicContact CG2-CD2 3.62Å
14Q90.8Very high90.4Very high135 Ų13557.1 Ų57.163%0.63135%0.349SS*.THydrogen-bonded Turntrans-72-12.4177.9-74.8172.63.400113.4E10 G11 F12 G16E10-Q14 VanDerWaalsContact O-CG 3.25Å; E10-Q14 WeakPolarHBondContact O-CG 3.35Å; E10-Q14 PolarHBondContact O-N 3.33Å; G11-Q14 PolarHBondContact O-N 2.9Å; F12-Q14 PolarHBondContact O-N 3.13Å; Q14-G16 PolarHBondContact O-N 3.41Å
15T86.9Confident90.1Very high75 Ų7555.2 Ų55.246%0.4635%0.347SS..THydrogen-bonded Turntrans-76.80.8177.266.60000114F12 I13 S17 A18 A19F12-T15 PolarHBondContact O-N 2.88Å; F12-T15 VanDerWaalsContact O-N 3.14Å; F12-T15 PolarHBondContact O-OG1 2.89Å; I13-T15 PolarHBondContact O-N 3.22Å; T15-S17 PolarHBondContact O-N 3.45Å; T15-A18 PolarHBondContact O-N 3.07Å; T15-A19 PolarHBondContact OG1-N 3.34Å
16G80Confident89.9Confident35 Ų3550 Ų5036%0.36133%0.329SS..THydrogen-bonded Turntrans63.5-125170.500000113.2I13 Q14 A18 A19I13-G16 PolarHBondContact O-N 3.14Å; Q14-G16 PolarHBondContact O-N 3.41Å; G16-A18 PolarHBondContact O-N 3.41Å; G16-A19 VanDerWaalsContact O-CB 3.26Å; G16-A19 WeakPolarHBondContact O-CB 3.37Å; G16-A19 PolarHBondContact O-N 2.69Å
17S83.4Confident89.8Confident105 Ų10552.6 Ų52.673%0.73435%0.347SS*.Hα-helixtrans-60.4-28-177.957.80000113.8T15 A19 L20 G21T15-S17 PolarHBondContact O-N 3.45Å; S17-A19 VanDerWaalsContact C-N 3.32Å; S17-A19 PolarHBondContact O-N 3.4Å; S17-L20 PolarHBondContact O-N 3.39Å; S17-G21 PolarHBondContact O-N 3.34Å; S17-G21 VanDerWaalsContact O-N 3.13Å
18A87.2Confident89.6Confident46 Ų4653.4 Ų53.438%0.3835%0.347SS..Hα-helixtrans-65.6-35.1174.200000112T15 G16 G21 N22T15-A18 PolarHBondContact O-N 3.07Å; G16-A18 PolarHBondContact O-N 3.41Å; A18-G21 PolarHBondContact O-N 3.3Å; A18-N22 WeakPolarHBondContact O-CB 3.38Å; A18-N22 VanDerWaalsContact O-CG 3.3Å; A18-N22 PolarHBondContact O-N 3.27Å; A18-N22 PolarHBondContact O-ND2 3.43Å
19A86.4Confident89.4Confident0 Ų054.1 Ų54.10%034%0.342CS..Hα-helixtrans-63.7-43.4176.400000111.4F12 T15 G16 S17 N22 L23 L46F12-A19 HydrophobicContact CD1-CB 4.04Å; F12-A19 HydrophobicContact CE1-CB 3.68Å; F12-A19 HydrophobicContact CZ-CB 4.03Å; F12-A19 WeakPolarHBondContact CZ-O 3.5Å; F12-A19 WeakPolarHBondContact O-CB 3.37Å; T15-A19 PolarHBondContact OG1-N 3.34Å; G16-A19 VanDerWaalsContact O-CB 3.26Å; G16-A19 WeakPolarHBondContact O-CB 3.37Å; G16-A19 PolarHBondContact O-N 2.69Å; S17-A19 VanDerWaalsContact C-N 3.32Å; S17-A19 PolarHBondContact O-N 3.4Å; A19-N22 PolarHBondContact O-N 3.14Å; A19-L23 PolarHBondContact O-N 3.39Å; A19-L23 VanDerWaalsContact O-N 3.14Å; A19-L46 HydrophobicContact CB-CD1 4.34Å; A19-L46 HydrophobicContact CB-CD2 3.82Å
20L87.1Confident89.3Confident63 Ų6356.9 Ų56.933%0.3336%0.356SS..Hα-helixtrans-61.1-47.2176.4-75.9167.5000111.7S17 N22 L23 E45 L46 A49S17-L20 PolarHBondContact O-N 3.39Å; L20-N22 VanDerWaalsContact C-N 3.28Å; L20-N22 PolarHBondContact O-N 3.49Å; L20-L23 PolarHBondContact O-N 3.13Å; L20-E45 HydrophobicContact CD1-CB 4.44Å; L20-L46 HydrophobicContact CD2-CB 4.32Å; L20-L46 HydrophobicContact CD2-CD1 3.76Å; L20-L46 HydrophobicContact CG-CD1 4.15Å; L20-A49 HydrophobicContact CD2-CB 3.56Å
21G85.4Confident89.4Confident56 Ų5656.2 Ų56.258%0.57735%0.353SS*.Hα-helixtrans-64-32.6178.900000113.5S17 A18S17-G21 PolarHBondContact O-N 3.34Å; S17-G21 VanDerWaalsContact O-N 3.13Å; A18-G21 PolarHBondContact O-N 3.3Å
22N89.5Confident89.5Confident85 Ų8556.5 Ų56.546%0.45535%0.348SS..Hα-helixtrans-92.80.9-176.9-69.3-37.3000114.1F12 A18 A19 L20 S24 C25F12-N22 HydrophobicContact CE2-CB 4.33Å; F12-N22 HydrophobicContact CZ-CB 4.46Å; A18-N22 WeakPolarHBondContact O-CB 3.38Å; A18-N22 VanDerWaalsContact O-CG 3.3Å; A18-N22 PolarHBondContact O-N 3.27Å; A18-N22 PolarHBondContact O-ND2 3.43Å; A19-N22 PolarHBondContact O-N 3.14Å; L20-N22 VanDerWaalsContact C-N 3.28Å; L20-N22 PolarHBondContact O-N 3.49Å; N22-S24 PolarHBondContact O-N 2.99Å; N22-C25 WeakPolarHBondContact O-CB 3.5Å; N22-C25 PolarHBondContact O-N 3.04Å
23L88.4Confident89.5Confident8 Ų854.9 Ų54.94%0.04234%0.342CS..G310 helixtrans-60-33.2-176.6-170.568000112.3A19 L20 C25 V26 L34 A49 L50 T53A19-L23 PolarHBondContact O-N 3.39Å; A19-L23 VanDerWaalsContact O-N 3.14Å; L20-L23 PolarHBondContact O-N 3.13Å; L23-C25 PolarHBondContact O-N 3.27Å; L23-V26 HydrophobicContact CD1-CG2 4.47Å; L23-V26 WeakPolarHBondContact O-CB 3.16Å; L23-V26 PolarHBondContact O-N 3.47Å; L23-V26 VanDerWaalsContact O-N 3.1Å; L23-L34 HydrophobicContact CD1-CD1 4.46Å; L23-A49 HydrophobicContact CD2-CB 4.05Å; L23-L50 HydrophobicContact CD1-CD2 3.52Å; L23-L50 HydrophobicContact CD1-CG 4.2Å; L23-L50 HydrophobicContact CD2-CD2 4.4Å; L23-T53 WeakPolarHBondContact CD2-OG1 3.49Å
24S85.6Confident89.7Confident64 Ų6455.2 Ų55.245%0.44834%0.343SS..G310 helixtrans-64.3-19.5175.657.90000114.1N22 T101N22-S24 PolarHBondContact O-N 2.99Å; S24-T101 WeakPolarHBondContact CA-OG1 3.42Å; S24-T101 WeakPolarHBondContact CB-OG1 3.45Å; S24-T101 VanDerWaalsContact O-CG2 3.27Å; S24-T101 WeakPolarHBondContact O-CG2 3.42Å
25C88.8Confident90Very high106 Ų10648.8 Ų48.872%0.71631%0.313SS*.G310 helixtrans-90.2-5.1178.3-59.10000112.4N22 L23N22-C25 WeakPolarHBondContact O-CB 3.5Å; N22-C25 PolarHBondContact O-N 3.04Å; L23-C25 PolarHBondContact O-N 3.27Å
26V90.3Very high90.5Very high15 Ų1545.5 Ų45.59%0.09129%0.292CS..SBendtrans-84.9134-177.1-179.80000110.6F12 L23 L30 Y31 L34 Y102F12-V26 HydrophobicContact CE2-CG2 4.1Å; F12-V26 HydrophobicContact CZ-CG2 3.81Å; L23-V26 HydrophobicContact CD1-CG2 4.47Å; L23-V26 WeakPolarHBondContact O-CB 3.16Å; L23-V26 PolarHBondContact O-N 3.47Å; L23-V26 VanDerWaalsContact O-N 3.1Å; V26-L30 HydrophobicContact CG1-CB 3.72Å; V26-L30 HydrophobicContact CG1-CD1 4.1Å; V26-L30 HydrophobicContact CG1-CG 4.47Å; V26-Y31 HydrophobicContact CB-CE2 4.43Å; V26-Y31 HydrophobicContact CG1-CD2 4.38Å; V26-Y31 HydrophobicContact CG1-CE2 4.36Å; V26-L34 HydrophobicContact CG1-CD1 3.73Å; V26-L34 HydrophobicContact CG2-CD1 4.36Å; V26-Y102 PolarHBondContact O-OH 3.11Å
27S91.9Very high91.3Very high54 Ų5443.8 Ų43.838%0.37828%0.275SS..  trans-70.2141.8174.8-1690000111.6N29 L30 Y102S27-N29 WeakPolarHBondContact CB-OD1 3.25Å; S27-N29 PolarHBondContact O-N 3.12Å; S27-N29 PolarHBondContact OG-OD1 3.38Å; S27-N29 VanDerWaalsContact OG-OD1 3.05Å; S27-L30 PolarHBondContact O-N 3.15Å; S27-Y102 WeakPolarHBondContact CA-OH 3.19Å
28F91.1Very high91.9Very high106 Ų10638.8 Ų38.847%0.46524%0.24SC..G310 helixtrans-53.3-29.7-175.466.9-94.5000114.1L30 Y31 P55 L56 Y102F28-L30 PolarHBondContact O-N 3.3Å; F28-Y31 PolarHBondContact O-N 3.2Å; F28-P55 HydrophobicContact CB-CB 3.79Å; F28-P55 HydrophobicContact CB-CG 3.53Å; F28-L56 HydrophobicContact CD2-CD2 3.89Å; F28-Y102 HydrophobicContact CB-CE1 4.19Å; F28-Y102 HydrophobicContact CB-CE2 4.46Å; F28-Y102 HydrophobicContact CD1-CE1 4.31Å; F28-Y102 PolarHBondContact N-OH 3.39Å; F28-Y102 VanDerWaalsContact N-OH 3.1Å
29N91.2Very high92.3Very high78 Ų7836.8 Ų36.842%0.41722%0.223SC..G310 helixtrans-72.9-9.7-179.469.8-37.4000113.8S27S27-N29 WeakPolarHBondContact CB-OD1 3.25Å; S27-N29 PolarHBondContact O-N 3.12Å; S27-N29 PolarHBondContact OG-OD1 3.38Å; S27-N29 VanDerWaalsContact OG-OD1 3.05Å
30L94.4Very high92.7Very high65 Ų6538.7 Ų38.734%0.3423%0.233SC..G310 helixtrans-95.8-15.2176.4-61.1179.8000113V26 S27 F28 L33 L34V26-L30 HydrophobicContact CG1-CB 3.72Å; V26-L30 HydrophobicContact CG1-CD1 4.1Å; V26-L30 HydrophobicContact CG1-CG 4.47Å; S27-L30 PolarHBondContact O-N 3.15Å; F28-L30 PolarHBondContact O-N 3.3Å; L30-L33 HydrophobicContact CD2-CD1 4.21Å; L30-L33 PolarHBondContact O-N 3.28Å; L30-L33 VanDerWaalsContact O-N 3.1Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 3.39Å
31Y95.6Very high93Very high0 Ų038.9 Ų38.90%023%0.232CC..Hα-helixtrans-55-44.8178.9-88.2-113.9000113.1V26 F28 L33 L34 F35 L50 T53 W54 P55 Y102V26-Y31 HydrophobicContact CB-CE2 4.43Å; V26-Y31 HydrophobicContact CG1-CD2 4.38Å; V26-Y31 HydrophobicContact CG1-CE2 4.36Å; F28-Y31 PolarHBondContact O-N 3.2Å; Y31-L33 VanDerWaalsContact C-N 3.34Å; Y31-L33 PolarHBondContact O-N 2.79Å; Y31-L34 PolarHBondContact O-N 3.1Å; Y31-F35 VanDerWaalsContact O-CB 3.3Å; Y31-F35 WeakPolarHBondContact O-CB 3.26Å; Y31-F35 PolarHBondContact O-N 3.45Å; Y31-L50 HydrophobicContact CD1-CD2 3.61Å; Y31-L50 HydrophobicContact CE1-CD2 3.86Å; Y31-L50 HydrophobicContact CG-CD2 4.11Å; Y31-T53 WeakPolarHBondContact CE1-O 3.3Å; Y31-T53 PolarHBondContact OH-OG1 3.26Å; Y31-T53 VanDerWaalsContact OH-OG1 3.1Å; Y31-W54 AromaticContact CD1-CE3 3.78Å; Y31-W54 HydrophobicContact CD1-CE3 3.78Å; Y31-W54 HydrophobicContact CD1-CZ3 4.08Å; Y31-P55 HydrophobicContact CD1-CG 4Å; Y31-P55 HydrophobicContact CD2-CG 3.8Å; Y31-P55 VanDerWaalsContact CE1-CD 3.49Å; Y31-P55 HydrophobicContact CE1-CG 4.2Å; Y31-P55 HydrophobicContact CE2-CG 4.01Å; Y31-P55 HydrophobicContact CG-CG 3.78Å; Y31-Y102 HydrophobicContact CE2-CE2 4.26Å
32P96.4Very high93.4Very high40 Ų4038 Ų3826%0.2621%0.213SC..Hα-helixtrans-59.5-39.6175.3-2938.2000114.4K36 W54 L56 L64P32-K36 PolarHBondContact O-N 3.35Å; P32-K36 VanDerWaalsContact O-N 3.15Å; P32-W54 HydrophobicContact CG-CH2 4.44Å; P32-L56 HydrophobicContact CG-CD1 3.63Å; P32-L64 HydrophobicContact CB-CD2 3.66Å; P32-L64 HydrophobicContact CG-CD2 4.32Å
33L96.1Very high93.7Very high17 Ų1737.4 Ų37.49%0.08921%0.207CC..Hα-helixtrans-70.1-44.9179.2-72.3170.6000111.3R5 F6 A9 L30 Y31 F35 K36 A37 D70R5-L33 HydrophobicContact CB-CD1 4.06Å; F6-L33 HydrophobicContact CD2-CD2 4.26Å; A9-L33 HydrophobicContact CB-CB 4.32Å; L30-L33 HydrophobicContact CD2-CD1 4.21Å; L30-L33 PolarHBondContact O-N 3.28Å; L30-L33 VanDerWaalsContact O-N 3.1Å; Y31-L33 VanDerWaalsContact C-N 3.34Å; Y31-L33 PolarHBondContact O-N 2.79Å; L33-F35 VanDerWaalsContact C-N 3.33Å; L33-K36 PolarHBondContact O-N 3.17Å; L33-A37 WeakPolarHBondContact O-CB 3.43Å; L33-A37 PolarHBondContact O-N 2.83Å; L33-D70 HydrophobicContact CD2-CB 3.61Å
34L96.9Very high94Very high7 Ų737.9 Ų37.94%0.03721%0.213CC..Hα-helixtrans-62.9-40.2175.4-70.4175.4000111.4A9 F12 I13 L23 V26 L30 Y31 A37 C38 L50A9-L34 HydrophobicContact CB-CD2 3.94Å; F12-L34 HydrophobicContact CB-CD2 4.14Å; F12-L34 HydrophobicContact CD1-CD1 4.27Å; F12-L34 HydrophobicContact CD1-CD2 3.47Å; F12-L34 VanDerWaalsContact CD1-CD2 3.47Å; F12-L34 HydrophobicContact CE1-CD1 4.17Å; F12-L34 HydrophobicContact CE1-CD2 4.16Å; F12-L34 HydrophobicContact CG-CD2 4.05Å; I13-L34 HydrophobicContact CG2-CD2 4.01Å; L23-L34 HydrophobicContact CD1-CD1 4.46Å; V26-L34 HydrophobicContact CG1-CD1 3.73Å; V26-L34 HydrophobicContact CG2-CD1 4.36Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 3.39Å; Y31-L34 PolarHBondContact O-N 3.1Å; L34-A37 PolarHBondContact O-N 3.1Å; L34-C38 WeakPolarHBondContact O-CB 3.46Å; L34-C38 PolarHBondContact O-N 3.33Å; L34-C38 PolarHBondContact O-SG 3.15Å; L34-L50 HydrophobicContact CB-CD1 3.92Å; L34-L50 HydrophobicContact CB-CD2 4.02Å; L34-L50 HydrophobicContact CD1-CD2 4.25Å
35F97.7Very high94.4Very high0 Ų042.1 Ų42.10%023%0.225CC..Hα-helixtrans-57.2-52.7175.4-174.3-76.8000110.9Y31 L33 A37 C38 Y39 L47 V51 W54 L59 M61 L64 L65 V87Y31-F35 VanDerWaalsContact O-CB 3.3Å; Y31-F35 WeakPolarHBondContact O-CB 3.26Å; Y31-F35 PolarHBondContact O-N 3.45Å; L33-F35 VanDerWaalsContact C-N 3.33Å; F35-A37 VanDerWaalsContact C-N 3.33Å; F35-A37 PolarHBondContact O-N 3.43Å; F35-C38 PolarHBondContact O-N 2.8Å; F35-Y39 HydrophobicContact CE1-CD2 4.18Å; F35-Y39 WeakPolarHBondContact O-CB 3.32Å; F35-Y39 PolarHBondContact O-N 3.41Å; F35-L47 HydrophobicContact CD1-CD1 4.27Å; F35-L47 HydrophobicContact CD2-CD1 3.55Å; F35-L47 HydrophobicContact CE1-CD1 4.32Å; F35-L47 HydrophobicContact CE2-CD1 3.63Å; F35-L47 HydrophobicContact CG-CD1 3.9Å; F35-L47 HydrophobicContact CZ-CD1 4.02Å; F35-V51 HydrophobicContact CD2-CG2 4.24Å; F35-V51 HydrophobicContact CE2-CG2 3.78Å; F35-W54 HydrophobicContact CB-CH2 4.19Å; F35-W54 HydrophobicContact CB-CZ3 4.1Å; F35-W54 HydrophobicContact CD2-CH2 4.24Å; F35-W54 AromaticContact CD2-CZ3 3.88Å; F35-W54 HydrophobicContact CD2-CZ3 3.88Å; F35-W54 HydrophobicContact CG-CH2 4.45Å; F35-W54 HydrophobicContact CG-CZ3 4.37Å; F35-L59 HydrophobicContact CE2-CD1 4.26Å; F35-L59 HydrophobicContact CE2-CD2 4.41Å; F35-L59 HydrophobicContact CZ-CD2 4.36Å; F35-M61 HydrophobicContact CE1-SD 4.11Å; F35-M61 HydrophobicContact CZ-SD 3.91Å; F35-L64 HydrophobicContact CB-CD2 4.35Å; F35-L64 HydrophobicContact CD1-CB 3.87Å; F35-L64 HydrophobicContact CD1-CD1 3.91Å; F35-L64 HydrophobicContact CD1-CD2 4.41Å; F35-L64 HydrophobicContact CD1-CG 4.28Å; F35-L64 HydrophobicContact CD2-CD1 4.26Å; F35-L64 HydrophobicContact CE1-CB 4.07Å; F35-L64 HydrophobicContact CE1-CD1 3.91Å; F35-L64 HydrophobicContact CE2-CD1 4.25Å; F35-L64 HydrophobicContact CG-CD1 4.1Å; F35-L64 HydrophobicContact CG-CD2 4.4Å; F35-L64 HydrophobicContact CZ-CD1 4.08Å; F35-L65 HydrophobicContact CD1-CD2 4.28Å; F35-L65 HydrophobicContact CE1-CD2 4.01Å; F35-L65 HydrophobicContact CE1-CG 4.48Å; F35-V87 HydrophobicContact CE2-CG2 3.79Å; F35-V87 HydrophobicContact CZ-CG1 4.49Å; F35-V87 HydrophobicContact CZ-CG2 3.63Å
36K97.1Very high94.8Very high5 Ų537.4 Ų37.42%0.02219%0.193CC..Hα-helixtrans-61.5-41.2179.6-169.6175.9-173.1169.10111.8F6 P32 L33 Y39 L40 L64 L65 G66 C71 L73 L75F6-K36 HydrophobicContact CE2-CB 4.08Å; F6-K36 HydrophobicContact CE2-CD 4.01Å; F6-K36 HydrophobicContact CE2-CG 3.97Å; F6-K36 HydrophobicContact CZ-CG 4.39Å; P32-K36 PolarHBondContact O-N 3.35Å; P32-K36 VanDerWaalsContact O-N 3.15Å; L33-K36 PolarHBondContact O-N 3.17Å; K36-Y39 PolarHBondContact O-N 3.33Å; K36-L40 WeakPolarHBondContact O-CB 3.3Å; K36-L40 PolarHBondContact O-N 3.39Å; K36-L64 WeakPolarHBondContact CB-O 3.5Å; K36-L64 VanDerWaalsContact CD-O 3.29Å; K36-L64 WeakPolarHBondContact CD-O 3.34Å; K36-L64 WeakPolarHBondContact CG-O 3.32Å; K36-L65 PolarHBondContact NZ-O 2.93Å; K36-G66 PolarHBondContact NZ-O 3.42Å; K36-C71 HydrophobicContact CD-CB 4.3Å; K36-C71 PolarHBondContact NZ-O 3.3Å; K36-L73 WeakPolarHBondContact CE-O 3.4Å; K36-L73 PolarHBondContact NZ-O 3Å; K36-L75 HydrophobicContact CG-CD1 4.14Å
37A96.3Very high95.1Very high0 Ų036.7 Ų36.70%019%0.189CC..Hα-helixtrans-65.7-45.8177.500000111.8F6 A9 E10 I13 L33 L34 F35 Y39 L40 H41F6-A37 HydrophobicContact CE2-CB 4.34Å; F6-A37 HydrophobicContact CZ-CB 4.29Å; A9-A37 HydrophobicContact CB-CB 4.12Å; E10-A37 HydrophobicContact CG-CB 4.14Å; I13-A37 VanDerWaalsContact CD1-C 3.45Å; I13-A37 HydrophobicContact CD1-CB 3.84Å; I13-A37 VanDerWaalsContact CD1-O 3.3Å; I13-A37 WeakPolarHBondContact CD1-O 3.37Å; I13-A37 HydrophobicContact CG2-CB 4.49Å; L33-A37 WeakPolarHBondContact O-CB 3.43Å; L33-A37 PolarHBondContact O-N 2.83Å; L34-A37 PolarHBondContact O-N 3.1Å; F35-A37 VanDerWaalsContact C-N 3.33Å; F35-A37 PolarHBondContact O-N 3.43Å; A37-Y39 VanDerWaalsContact C-N 3.3Å; A37-Y39 PolarHBondContact O-N 3.39Å; A37-L40 PolarHBondContact O-N 2.64Å; A37-H41 PolarHBondContact O-CD2 2.67Å; A37-H41 VanDerWaalsContact O-CD2 3.32Å; A37-H41 PolarHBondContact O-N 2.86Å; A37-H41 VanDerWaalsContact O-N 3.11Å
38C96.4Very high95.3Very high0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-59.3-42.1174.8-73.70000111.7I13 L34 F35 H41 E42 Q43 L47 L50I13-C38 WeakPolarHBondContact CG2-SG 3.42Å; L34-C38 WeakPolarHBondContact O-CB 3.46Å; L34-C38 PolarHBondContact O-N 3.33Å; L34-C38 PolarHBondContact O-SG 3.15Å; F35-C38 PolarHBondContact O-N 2.8Å; C38-H41 CarbonylContact O-C 3.25Å; C38-H41 PolarHBondContact O-N 2.85Å; C38-E42 WeakPolarHBondContact O-CA 3.47Å; C38-E42 PolarHBondContact O-N 3.11Å; C38-Q43 HydrophobicContact CB-CB 4.04Å; C38-Q43 PolarHBondContact O-N 2.99Å; C38-L47 HydrophobicContact CB-CB 4.12Å; C38-L47 HydrophobicContact CB-CD1 4.04Å; C38-L50 HydrophobicContact CB-CD1 4.36Å
39Y95.9Very high95.5Very high3 Ų331.6 Ų31.61%0.01216%0.163CC..Hα-helixtrans-64-45.4178.4-158.8-78.7000111.6F35 K36 A37 H41 E42 L47 M61 L65 L75 C78 C80 C83 L84F35-Y39 HydrophobicContact CE1-CD2 4.18Å; F35-Y39 WeakPolarHBondContact O-CB 3.32Å; F35-Y39 PolarHBondContact O-N 3.41Å; K36-Y39 PolarHBondContact O-N 3.33Å; A37-Y39 VanDerWaalsContact C-N 3.3Å; A37-Y39 PolarHBondContact O-N 3.39Å; Y39-H41 VanDerWaalsContact C-N 3.29Å; Y39-H41 PolarHBondContact O-N 3.15Å; Y39-E42 PolarHBondContact O-N 3.31Å; Y39-L47 HydrophobicContact CD2-CD2 4.07Å; Y39-M61 HydrophobicContact CE2-CE 4.13Å; Y39-L65 HydrophobicContact CD1-CD1 4.17Å; Y39-L65 HydrophobicContact CD1-CD2 3.89Å; Y39-L65 HydrophobicContact CD2-CD1 4.2Å; Y39-L65 HydrophobicContact CD2-CD2 4Å; Y39-L65 HydrophobicContact CE1-CD1 3.95Å; Y39-L65 HydrophobicContact CE2-CD1 3.99Å; Y39-L65 HydrophobicContact CG-CD1 4.3Å; Y39-L65 HydrophobicContact CG-CD2 3.62Å; Y39-L75 HydrophobicContact CD1-CD1 4.47Å; Y39-C78 HydrophobicContact CE1-CB 4.25Å; Y39-C78 VanDerWaalsContact CE1-O 3.31Å; Y39-C78 WeakPolarHBondContact CE1-O 3.25Å; Y39-C78 PolarHBondContact OH-O 2.97Å; Y39-C80 HydrophobicContact CE1-CB 4.34Å; Y39-C80 PolarHBondContact OH-N 3.24Å; Y39-C83 HydrophobicContact CD2-CB 3.65Å; Y39-C83 HydrophobicContact CE1-CB 4.41Å; Y39-C83 HydrophobicContact CE2-CB 3.42Å; Y39-C83 VanDerWaalsContact CE2-CB 3.42Å; Y39-C83 HydrophobicContact CG-CB 4.22Å; Y39-L84 HydrophobicContact CE2-CD2 4.26Å; Y39-L84 WeakPolarHBondContact OH-CG 3.37Å
40L94.6Very high95.8Very high40 Ų4027.9 Ų27.921%0.20914%0.143CC..Hα-helixtrans-59.8-38178.2179.459.3000112.8F6 K36 A37 L73 L75F6-L40 HydrophobicContact CE1-CD2 4.1Å; F6-L40 HydrophobicContact CZ-CD2 4.08Å; K36-L40 WeakPolarHBondContact O-CB 3.3Å; K36-L40 PolarHBondContact O-N 3.39Å; A37-L40 PolarHBondContact O-N 2.64Å; L40-L73 HydrophobicContact CD1-CD2 3.61Å; L40-L73 HydrophobicContact CD2-CD2 4.49Å; L40-L75 HydrophobicContact CB-CD1 3.96Å; L40-L75 HydrophobicContact CD1-CD1 4.18Å; L40-L75 HydrophobicContact CD1-CD2 4.05Å
41H93.9Very high95.9Very high68 Ų6824.8 Ų24.832%0.31513%0.127SC..THydrogen-bonded Turntrans-103.914.9-175.5-68.5-73.8000114.2E10 I13 A37 C38 Y39 Q43E10-H41 IonicContact OE1-CD2 3.64Å; E10-H41 IonicContact OE1-CE1 3.61Å; E10-H41 IonicContact OE1-NE2 2.67Å; E10-H41 PolarHBondContact OE1-NE2 3.32Å; I13-H41 HydrophobicContact CD1-CB 3.97Å; A37-H41 PolarHBondContact O-CD2 2.67Å; A37-H41 VanDerWaalsContact O-CD2 3.32Å; A37-H41 PolarHBondContact O-N 2.86Å; A37-H41 VanDerWaalsContact O-N 3.11Å; C38-H41 CarbonylContact O-C 3.25Å; C38-H41 PolarHBondContact O-N 2.85Å; Y39-H41 VanDerWaalsContact C-N 3.29Å; Y39-H41 PolarHBondContact O-N 3.15Å; H41-Q43 HydrophobicContact CB-CG 4.13Å; H41-Q43 PolarHBondContact O-N 3.05Å; H41-Q43 VanDerWaalsContact O-N 3.13Å; H41-Q43 PolarHBondContact O-NE2 3.39Å
42E93.7Very high95.8Very high38 Ų3826.6 Ų26.618%0.17814%0.135CC..THydrogen-bonded Turntrans5036.4-179.3-57.5-170.416900114.5C38 Y39 A44 C122 P123 C124C38-E42 WeakPolarHBondContact O-CA 3.47Å; C38-E42 PolarHBondContact O-N 3.11Å; Y39-E42 PolarHBondContact O-N 3.31Å; E42-A44 PolarHBondContact O-N 3.07Å; E42-C122 WeakPolarHBondContact OE1-CB 3.47Å; E42-C122 PolarHBondContact OE1-SG 3.44Å; E42-C122 VanDerWaalsContact OE1-SG 3.34Å; E42-P123 HydrophobicContact CG-CG 4.27Å; E42-P123 WeakPolarHBondContact OE1-CD 3.29Å; E42-P123 VanDerWaalsContact OE1-N 3.09Å; E42-C124 PolarHBondContact OE1-N 2.87Å; E42-C124 PolarHBondContact OE1-SG 3.35Å; E42-C124 WeakPolarHBondContact OE2-CB 3.19Å; E42-C124 PolarHBondContact OE2-N 2.73Å
43Q95.1Very high95.7Very high71 Ų7126 Ų2633%0.33213%0.13SC..  trans-77.369.4177.2-62.7-61.2-42.300110.8I13 C38 H41 E45 L46 L47I13-Q43 HydrophobicContact CB-CG 4.28Å; I13-Q43 HydrophobicContact CD1-CG 4.01Å; I13-Q43 HydrophobicContact CG1-CG 4.37Å; C38-Q43 HydrophobicContact CB-CB 4.04Å; C38-Q43 PolarHBondContact O-N 2.99Å; H41-Q43 HydrophobicContact CB-CG 4.13Å; H41-Q43 PolarHBondContact O-N 3.05Å; H41-Q43 VanDerWaalsContact O-N 3.13Å; H41-Q43 PolarHBondContact O-NE2 3.39Å; Q43-E45 PolarHBondContact O-N 3.25Å; Q43-L46 HydrophobicContact CB-CB 4.35Å; Q43-L46 PolarHBondContact O-N 2.88Å; Q43-L47 WeakPolarHBondContact O-CB 3.34Å; Q43-L47 PolarHBondContact O-N 2.68Å
44A94.3Very high95.7Very high19 Ų1925.3 Ų25.316%0.15713%0.127CC..Hα-helixtrans-58-42.2-16900000114.2E42 H48 T82 S86E42-A44 PolarHBondContact O-N 3.07Å; A44-H48 WeakPolarHBondContact O-CB 3.11Å; A44-H48 PolarHBondContact O-N 3.45Å; A44-T82 HydrophobicContact CB-CG2 3.56Å; A44-S86 WeakPolarHBondContact CB-OG 3.44Å; A44-S86 WeakPolarHBondContact O-CB 3.45Å; A44-S86 PolarHBondContact O-OG 3.49Å
45E95.4Very high95.6Very high152 Ų15225.7 Ų25.771%0.7113%0.13SC*.Hα-helixtrans-67.7-44.8179.7-63.9-175.4169.400111.7L20 Q43 L47 H48 A49L20-E45 HydrophobicContact CD1-CB 4.44Å; Q43-E45 PolarHBondContact O-N 3.25Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-H48 WeakPolarHBondContact O-CB 3.4Å; E45-H48 PolarHBondContact O-N 2.94Å; E45-A49 PolarHBondContact O-N 2.98Å
46L95.9Very high95.5Very high8 Ų827.7 Ų27.74%0.04214%0.14CC..Hα-helixtrans-69.5-34.9178.1-172.758.3000111.6F12 I13 A19 L20 Q43 A49 L50F12-L46 HydrophobicContact CE1-CD2 4.42Å; I13-L46 HydrophobicContact CB-CD2 3.85Å; I13-L46 HydrophobicContact CG2-CD2 3.62Å; A19-L46 HydrophobicContact CB-CD1 4.34Å; A19-L46 HydrophobicContact CB-CD2 3.82Å; L20-L46 HydrophobicContact CD2-CB 4.32Å; L20-L46 HydrophobicContact CD2-CD1 3.76Å; L20-L46 HydrophobicContact CG-CD1 4.15Å; Q43-L46 HydrophobicContact CB-CB 4.35Å; Q43-L46 PolarHBondContact O-N 2.88Å; L46-A49 PolarHBondContact O-N 3.26Å; L46-L50 HydrophobicContact CG-CD1 4.44Å; L46-L50 WeakPolarHBondContact O-CB 3.33Å; L46-L50 VanDerWaalsContact O-CG 3.25Å; L46-L50 WeakPolarHBondContact O-CG 3.34Å; L46-L50 PolarHBondContact O-N 2.76Å
47L96.6Very high95.5Very high0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-62.5-44.6173.2-170.363000111.5F35 C38 Y39 Q43 E45 L50 V51 C83 V87F35-L47 HydrophobicContact CD1-CD1 4.27Å; F35-L47 HydrophobicContact CD2-CD1 3.55Å; F35-L47 HydrophobicContact CE1-CD1 4.32Å; F35-L47 HydrophobicContact CE2-CD1 3.63Å; F35-L47 HydrophobicContact CG-CD1 3.9Å; F35-L47 HydrophobicContact CZ-CD1 4.02Å; C38-L47 HydrophobicContact CB-CB 4.12Å; C38-L47 HydrophobicContact CB-CD1 4.04Å; Y39-L47 HydrophobicContact CD2-CD2 4.07Å; Q43-L47 WeakPolarHBondContact O-CB 3.34Å; Q43-L47 PolarHBondContact O-N 2.68Å; E45-L47 VanDerWaalsContact C-N 3.34Å; L47-L50 PolarHBondContact O-N 2.96Å; L47-V51 WeakPolarHBondContact O-CG2 3.33Å; L47-V51 PolarHBondContact O-N 3.1Å; L47-V51 VanDerWaalsContact O-N 3.14Å; L47-C83 HydrophobicContact CD2-CB 3.65Å; L47-C83 WeakPolarHBondContact CD2-O 3.22Å; L47-V87 HydrophobicContact CD1-CG2 4.18Å; L47-V87 HydrophobicContact CD2-CG2 3.66Å; L47-V87 HydrophobicContact CG-CG2 3.78Å
48H97.3Very high95.6Very high38 Ų3835 Ų3518%0.17618%0.181CC..Hα-helixtrans-58.3-50173.3176.6111000110.9A44 E45 L50 V51 Q52 T89 G90 D93A44-H48 WeakPolarHBondContact O-CB 3.11Å; A44-H48 PolarHBondContact O-N 3.45Å; E45-H48 WeakPolarHBondContact O-CB 3.4Å; E45-H48 PolarHBondContact O-N 2.94Å; H48-L50 VanDerWaalsContact C-N 3.33Å; H48-L50 PolarHBondContact O-N 2.72Å; H48-V51 PolarHBondContact O-N 3.16Å; H48-Q52 WeakPolarHBondContact O-CB 3.43Å; H48-Q52 PolarHBondContact O-N 2.7Å; H48-T89 PolarHBondContact ND1-OG1 3.04Å; H48-T89 VanDerWaalsContact ND1-OG1 3.11Å; H48-G90 PolarHBondContact ND1-N 3.32Å; H48-D93 IonicContact CE1-OD2 3.11Å; H48-D93 PolarHBondContact CE1-OD2 3Å; H48-D93 IonicContact NE2-OD2 3.06Å; H48-D93 PolarHBondContact NE2-OD2 2.97Å
49A95.6Very high95.7Very high15 Ų1535 Ų3512%0.12418%0.181CC..Hα-helixtrans-63.3-36.1-179.400000113.3L20 L23 E45 L46 T53L20-A49 HydrophobicContact CD2-CB 3.56Å; L23-A49 HydrophobicContact CD2-CB 4.05Å; E45-A49 PolarHBondContact O-N 2.98Å; L46-A49 PolarHBondContact O-N 3.26Å; A49-T53 PolarHBondContact O-N 3.38Å; A49-T53 VanDerWaalsContact O-N 3.15Å; A49-T53 PolarHBondContact O-OG1 3.18Å
50L95.9Very high95.8Very high0 Ų036.2 Ų36.20%019%0.187CC..Hα-helixtrans-59.8-46.8173.3-81.4166.2000111.3L23 Y31 L34 C38 L46 L47 H48 T53 W54L23-L50 HydrophobicContact CD1-CD2 3.52Å; L23-L50 HydrophobicContact CD1-CG 4.2Å; L23-L50 HydrophobicContact CD2-CD2 4.4Å; Y31-L50 HydrophobicContact CD1-CD2 3.61Å; Y31-L50 HydrophobicContact CE1-CD2 3.86Å; Y31-L50 HydrophobicContact CG-CD2 4.11Å; L34-L50 HydrophobicContact CB-CD1 3.92Å; L34-L50 HydrophobicContact CB-CD2 4.02Å; L34-L50 HydrophobicContact CD1-CD2 4.25Å; C38-L50 HydrophobicContact CB-CD1 4.36Å; L46-L50 HydrophobicContact CG-CD1 4.44Å; L46-L50 WeakPolarHBondContact O-CB 3.33Å; L46-L50 VanDerWaalsContact O-CG 3.25Å; L46-L50 WeakPolarHBondContact O-CG 3.34Å; L46-L50 PolarHBondContact O-N 2.76Å; L47-L50 PolarHBondContact O-N 2.96Å; H48-L50 VanDerWaalsContact C-N 3.33Å; H48-L50 PolarHBondContact O-N 2.72Å; L50-T53 CarbonylContact O-C 3.39Å; L50-T53 PolarHBondContact O-N 3.45Å; L50-W54 WeakPolarHBondContact O-CA 3.29Å; L50-W54 PolarHBondContact O-N 3.39Å; L50-W54 VanDerWaalsContact O-N 3.1Å
51V96.6Very high95.9Very high0 Ų034.3 Ų34.30%018%0.177CC..Hα-helixtrans-70.9-40.6-179.8179.80000111.3F35 L47 H48 T53 W54 L59 V87 L91 Y94F35-V51 HydrophobicContact CD2-CG2 4.24Å; F35-V51 HydrophobicContact CE2-CG2 3.78Å; L47-V51 WeakPolarHBondContact O-CG2 3.33Å; L47-V51 PolarHBondContact O-N 3.1Å; L47-V51 VanDerWaalsContact O-N 3.14Å; H48-V51 PolarHBondContact O-N 3.16Å; V51-T53 PolarHBondContact O-N 3.15Å; V51-T53 VanDerWaalsContact O-N 3.15Å; V51-W54 WeakPolarHBondContact O-CB 3.33Å; V51-W54 PolarHBondContact O-N 2.81Å; V51-W54 VanDerWaalsContact O-N 3.16Å; V51-L59 HydrophobicContact CG1-CD1 4.05Å; V51-L59 HydrophobicContact CG2-CD1 3.98Å; V51-V87 HydrophobicContact CG2-CB 4.48Å; V51-V87 HydrophobicContact CG2-CG1 4.27Å; V51-V87 HydrophobicContact CG2-CG2 4.34Å; V51-L91 HydrophobicContact CG1-CB 4.4Å; V51-L91 HydrophobicContact CG1-CD2 3.5Å; V51-L91 VanDerWaalsContact CG1-CD2 3.5Å; V51-L91 HydrophobicContact CG1-CG 3.64Å; V51-Y94 WeakPolarHBondContact O-CD2 3.46Å
52Q95.3Very high96Very high37 Ų3735.4 Ų35.417%0.17318%0.183CC..Hα-helixtrans-57.3-29.5175.1-173.8-173.219.300112.8H48 G90 D93 Y94 S97H48-Q52 WeakPolarHBondContact O-CB 3.43Å; H48-Q52 PolarHBondContact O-N 2.7Å; Q52-G90 WeakPolarHBondContact CA-O 3.45Å; Q52-D93 HydrophobicContact CG-CB 3.98Å; Q52-Y94 WeakPolarHBondContact O-CD2 3.43Å; Q52-S97 PolarHBondContact NE2-OG 3.38Å
53T93.8Very high96.2Very high27 Ų2742.3 Ų42.317%0.16621%0.207CC..THydrogen-bonded Turntrans-113.822.1-178.761.50000113.2L23 Y31 A49 L50 V51 P55L23-T53 WeakPolarHBondContact CD2-OG1 3.49Å; Y31-T53 WeakPolarHBondContact CE1-O 3.3Å; Y31-T53 PolarHBondContact OH-OG1 3.26Å; Y31-T53 VanDerWaalsContact OH-OG1 3.1Å; A49-T53 PolarHBondContact O-N 3.38Å; A49-T53 VanDerWaalsContact O-N 3.15Å; A49-T53 PolarHBondContact O-OG1 3.18Å; L50-T53 CarbonylContact O-C 3.39Å; L50-T53 PolarHBondContact O-N 3.45Å; V51-T53 PolarHBondContact O-N 3.15Å; V51-T53 VanDerWaalsContact O-N 3.15Å; T53-P55 WeakPolarHBondContact O-CD 3.01Å
54W95.6Very high96.3Very high4 Ų439.4 Ų39.42%0.01519%0.194CC..  trans-59.9120.4-171.7-165-104.4000112.3Y31 P32 F35 L50 V51 L56 E58 L59 L64 Y94Y31-W54 AromaticContact CD1-CE3 3.78Å; Y31-W54 HydrophobicContact CD1-CE3 3.78Å; Y31-W54 HydrophobicContact CD1-CZ3 4.08Å; P32-W54 HydrophobicContact CG-CH2 4.44Å; F35-W54 HydrophobicContact CB-CH2 4.19Å; F35-W54 HydrophobicContact CB-CZ3 4.1Å; F35-W54 HydrophobicContact CD2-CH2 4.24Å; F35-W54 AromaticContact CD2-CZ3 3.88Å; F35-W54 HydrophobicContact CD2-CZ3 3.88Å; F35-W54 HydrophobicContact CG-CH2 4.45Å; F35-W54 HydrophobicContact CG-CZ3 4.37Å; L50-W54 WeakPolarHBondContact O-CA 3.29Å; L50-W54 PolarHBondContact O-N 3.39Å; L50-W54 VanDerWaalsContact O-N 3.1Å; V51-W54 WeakPolarHBondContact O-CB 3.33Å; V51-W54 PolarHBondContact O-N 2.81Å; V51-W54 VanDerWaalsContact O-N 3.16Å; W54-L56 HydrophobicContact CZ2-CD1 4.16Å; W54-E58 PolarHBondContact NE1-O 3.43Å; W54-L59 HydrophobicContact CD2-CD1 4.38Å; W54-L59 HydrophobicContact CZ2-CG 4.35Å; W54-L64 HydrophobicContact CH2-CD1 4.15Å; W54-L64 HydrophobicContact CH2-CD2 3.79Å; W54-L64 HydrophobicContact CZ2-CD1 4.25Å; W54-L64 HydrophobicContact CZ2-CD2 4.13Å; W54-Y94 HydrophobicContact CB-CD2 4.44Å; W54-Y94 HydrophobicContact CB-CE2 4.37Å; W54-Y94 WeakPolarHBondContact O-CE2 3.34Å
55P94.6Very high96.4Very high14 Ų1438.5 Ų38.59%0.09119%0.186CC..  trans-94.8-4.4-170.834.7-35.4000114.3F28 Y31 T53 Y102 S105F28-P55 HydrophobicContact CB-CB 3.79Å; F28-P55 HydrophobicContact CB-CG 3.53Å; Y31-P55 HydrophobicContact CD1-CG 4Å; Y31-P55 HydrophobicContact CD2-CG 3.8Å; Y31-P55 VanDerWaalsContact CE1-CD 3.49Å; Y31-P55 HydrophobicContact CE1-CG 4.2Å; Y31-P55 HydrophobicContact CE2-CG 4.01Å; Y31-P55 HydrophobicContact CG-CG 3.78Å; T53-P55 WeakPolarHBondContact O-CD 3.01Å; P55-Y102 HydrophobicContact CB-CD1 4.23Å; P55-Y102 HydrophobicContact CB-CD2 3.53Å; P55-Y102 HydrophobicContact CB-CE2 4.09Å; P55-Y102 HydrophobicContact CB-CG 3.61Å; P55-Y102 HydrophobicContact CG-CD2 4.26Å; P55-Y102 HydrophobicContact CG-CE2 4.44Å; P55-S105 VanDerWaalsContact C-OG 3.22Å; P55-S105 PolarHBondContact O-OG 2.73Å
56L96.1Very high96.4Very high42 Ų4231.3 Ų31.322%0.2215%0.153CC..SBendtrans-103154.4-173.1-62.4175.8000111.8F28 P32 W54 E58 L106F28-L56 HydrophobicContact CD2-CD2 3.89Å; P32-L56 HydrophobicContact CG-CD1 3.63Å; W54-L56 HydrophobicContact CZ2-CD1 4.16Å; L56-E58 PolarHBondContact O-N 3.08Å; L56-L106 WeakPolarHBondContact O-CA 3.07Å
57P96.8Very high96.3Very high72 Ų7239.4 Ų39.447%0.46818%0.183SC..SBendtrans-69.5-19.3-177.728.1-35.9000115.1S105 H107 V108P57-S105 WeakPolarHBondContact CA-O 3.39Å; P57-H107 PolarHBondContact O-N 2.77Å; P57-V108 PolarHBondContact O-N 3.44Å
58E97.9Very high96.2Very high88 Ų8841.2 Ų41.241%0.41120%0.196SC..EExtended strand (participates in β ladder)trans-132141.8-178.3-60.4-176.5158.900110.9W54 L56 R63 V108W54-E58 PolarHBondContact NE1-O 3.43Å; L56-E58 PolarHBondContact O-N 3.08Å; E58-R63 IonicContact OE2-NH1 3.05Å; E58-R63 PolarHBondContact OE2-NH1 2.88Å; E58-V108 CarbonylContact C-O 3.5Å; E58-V108 VanDerWaalsContact CA-O 3.31Å; E58-V108 WeakPolarHBondContact CA-O 3.29Å; E58-V108 HydrophobicContact CG-CB 4.29Å
59L98.3Very high95.9Very high0 Ų044.6 Ų44.60%022%0.224CC..EExtended strand (participates in β ladder)trans-117.997.8163.8-169.4166.6000106.9F35 V51 W54 M61 L64 L91 L106 V108 V109 D110F35-L59 HydrophobicContact CE2-CD1 4.26Å; F35-L59 HydrophobicContact CE2-CD2 4.41Å; F35-L59 HydrophobicContact CZ-CD2 4.36Å; V51-L59 HydrophobicContact CG1-CD1 4.05Å; V51-L59 HydrophobicContact CG2-CD1 3.98Å; W54-L59 HydrophobicContact CD2-CD1 4.38Å; W54-L59 HydrophobicContact CZ2-CG 4.35Å; L59-M61 HydrophobicContact CD2-SD 4.02Å; L59-L64 HydrophobicContact CD2-CD1 3.58Å; L59-L64 HydrophobicContact CG-CD1 3.72Å; L59-L91 HydrophobicContact CD1-CD2 4.46Å; L59-L106 HydrophobicContact CB-CD1 3.99Å; L59-V108 PolarHBondContact N-O 2.65Å; L59-V109 HydrophobicContact CB-CG2 4.23Å; L59-V109 HydrophobicContact CD2-CG1 4.36Å; L59-V109 CarbonylContact O-C 3.48Å; L59-V109 VanDerWaalsContact O-CA 3.3Å; L59-V109 WeakPolarHBondContact O-CA 3.38Å; L59-D110 PolarHBondContact O-N 3.42Å
60N97.9Very high95.8Very high28 Ų2845.2 Ų45.215%0.1523%0.225CC..EExtended strand (participates in β ladder)trans-112.3117.2-175.5180-68.1000110.4Q62 R63 L64 D110N60-Q62 VanDerWaalsContact C-N 3.3Å; N60-Q62 PolarHBondContact O-N 3.14Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.46Å; N60-Q62 VanDerWaalsContact OD1-CB 3.26Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.06Å; N60-Q62 PolarHBondContact OD1-N 3.18Å; N60-R63 HydrophobicContact CB-CB 4.18Å; N60-R63 HydrophobicContact CB-CG 4.2Å; N60-R63 PolarHBondContact O-N 2.86Å; N60-R63 VanDerWaalsContact O-N 3.14Å; N60-R63 PolarHBondContact OD1-N 3.39Å; N60-L64 WeakPolarHBondContact O-CB 3.39Å; N60-L64 VanDerWaalsContact O-CG 3.24Å; N60-L64 WeakPolarHBondContact O-CG 3.38Å; N60-L64 PolarHBondContact O-N 2.9Å; N60-D110 HydrophobicContact CB-CB 4.33Å; N60-D110 WeakPolarHBondContact ND2-CB 3.45Å; N60-D110 PolarHBondContact ND2-OD2 2.9Å
61M97.5Very high95.6Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-64.3-32.4-174.8-66.1-62.8-86.900112.8F35 Y39 L59 L64 L65 L84 D110 L111 L114F35-M61 HydrophobicContact CE1-SD 4.11Å; F35-M61 HydrophobicContact CZ-SD 3.91Å; Y39-M61 HydrophobicContact CE2-CE 4.13Å; L59-M61 HydrophobicContact CD2-SD 4.02Å; M61-L64 PolarHBondContact O-N 2.67Å; M61-L65 HydrophobicContact CE-CD1 3.47Å; M61-L65 VanDerWaalsContact CE-CD1 3.47Å; M61-L65 HydrophobicContact CE-CG 4.25Å; M61-L65 VanDerWaalsContact O-CB 3.3Å; M61-L65 WeakPolarHBondContact O-CB 3.5Å; M61-L65 PolarHBondContact O-N 2.83Å; M61-L65 HydrophobicContact SD-CD1 4.4Å; M61-L84 HydrophobicContact CE-CD2 3.78Å; M61-D110 WeakPolarHBondContact CB-O 3.4Å; M61-D110 VanDerWaalsContact CG-O 3.28Å; M61-D110 WeakPolarHBondContact CG-O 3.4Å; M61-D110 PolarHBondContact N-O 2.97Å; M61-L111 HydrophobicContact CG-CD2 3.61Å; M61-L111 HydrophobicContact SD-CD2 4.27Å; M61-L114 HydrophobicContact CB-CG 4.49Å; M61-L114 HydrophobicContact CE-CD1 4.25Å; M61-L114 HydrophobicContact CE-CD2 3.83Å; M61-L114 HydrophobicContact CE-CG 4.37Å
62Q96.8Very high95.4Very high91 Ų9150.7 Ų50.743%0.42525%0.25SS..Hα-helixtrans-62.5-46.3173.7-176.559.938.500111.1N60 L64 G66 A113N60-Q62 VanDerWaalsContact C-N 3.3Å; N60-Q62 PolarHBondContact O-N 3.14Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.46Å; N60-Q62 VanDerWaalsContact OD1-CB 3.26Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.06Å; N60-Q62 PolarHBondContact OD1-N 3.18Å; Q62-L64 VanDerWaalsContact C-N 3.35Å; Q62-G66 VanDerWaalsContact O-CA 3.24Å; Q62-G66 WeakPolarHBondContact O-CA 3.48Å; Q62-G66 PolarHBondContact O-N 3.41Å; Q62-A113 HydrophobicContact CB-CB 3.61Å
63R96.3Very high95.3Very high182 Ų18253 Ų5369%0.68726%0.264SS*.Hα-helixtrans-70.1-32.7-179.3-67.917663.4-176.52112.4E58 N60E58-R63 IonicContact OE2-NH1 3.05Å; E58-R63 PolarHBondContact OE2-NH1 2.88Å; N60-R63 HydrophobicContact CB-CB 4.18Å; N60-R63 HydrophobicContact CB-CG 4.2Å; N60-R63 PolarHBondContact O-N 2.86Å; N60-R63 VanDerWaalsContact O-N 3.14Å; N60-R63 PolarHBondContact OD1-N 3.39Å
64L97.2Very high95.3Very high10 Ų1054.6 Ų54.65%0.05227%0.271CS..Hα-helixtrans-83.3-42.1-177.3-67.9172.5000112.9P32 F35 K36 W54 L59 N60 M61 Q62P32-L64 HydrophobicContact CB-CD2 3.66Å; P32-L64 HydrophobicContact CG-CD2 4.32Å; F35-L64 HydrophobicContact CB-CD2 4.35Å; F35-L64 HydrophobicContact CD1-CB 3.87Å; F35-L64 HydrophobicContact CD1-CD1 3.91Å; F35-L64 HydrophobicContact CD1-CD2 4.41Å; F35-L64 HydrophobicContact CD1-CG 4.28Å; F35-L64 HydrophobicContact CD2-CD1 4.26Å; F35-L64 HydrophobicContact CE1-CB 4.07Å; F35-L64 HydrophobicContact CE1-CD1 3.91Å; F35-L64 HydrophobicContact CE2-CD1 4.25Å; F35-L64 HydrophobicContact CG-CD1 4.1Å; F35-L64 HydrophobicContact CG-CD2 4.4Å; F35-L64 HydrophobicContact CZ-CD1 4.08Å; K36-L64 WeakPolarHBondContact CB-O 3.5Å; K36-L64 VanDerWaalsContact CD-O 3.29Å; K36-L64 WeakPolarHBondContact CD-O 3.34Å; K36-L64 WeakPolarHBondContact CG-O 3.32Å; W54-L64 HydrophobicContact CH2-CD1 4.15Å; W54-L64 HydrophobicContact CH2-CD2 3.79Å; W54-L64 HydrophobicContact CZ2-CD1 4.25Å; W54-L64 HydrophobicContact CZ2-CD2 4.13Å; L59-L64 HydrophobicContact CD2-CD1 3.58Å; L59-L64 HydrophobicContact CG-CD1 3.72Å; N60-L64 WeakPolarHBondContact O-CB 3.39Å; N60-L64 VanDerWaalsContact O-CG 3.24Å; N60-L64 WeakPolarHBondContact O-CG 3.38Å; N60-L64 PolarHBondContact O-N 2.9Å; M61-L64 PolarHBondContact O-N 2.67Å; Q62-L64 VanDerWaalsContact C-N 3.35Å
65L96.8Very high95.3Very high0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-103.1-24.5-173-62.5-170.3000113.5F35 K36 Y39 M61 L75 T76 L114F35-L65 HydrophobicContact CD1-CD2 4.28Å; F35-L65 HydrophobicContact CE1-CD2 4.01Å; F35-L65 HydrophobicContact CE1-CG 4.48Å; K36-L65 PolarHBondContact NZ-O 2.93Å; Y39-L65 HydrophobicContact CD1-CD1 4.17Å; Y39-L65 HydrophobicContact CD1-CD2 3.89Å; Y39-L65 HydrophobicContact CD2-CD1 4.2Å; Y39-L65 HydrophobicContact CD2-CD2 4Å; Y39-L65 HydrophobicContact CE1-CD1 3.95Å; Y39-L65 HydrophobicContact CE2-CD1 3.99Å; Y39-L65 HydrophobicContact CG-CD1 4.3Å; Y39-L65 HydrophobicContact CG-CD2 3.62Å; M61-L65 HydrophobicContact CE-CD1 3.47Å; M61-L65 VanDerWaalsContact CE-CD1 3.47Å; M61-L65 HydrophobicContact CE-CG 4.25Å; M61-L65 VanDerWaalsContact O-CB 3.3Å; M61-L65 WeakPolarHBondContact O-CB 3.5Å; M61-L65 PolarHBondContact O-N 2.83Å; M61-L65 HydrophobicContact SD-CD1 4.4Å; L65-L75 HydrophobicContact CB-CB 3.92Å; L65-L75 HydrophobicContact CD2-CB 4.23Å; L65-L75 HydrophobicContact CG-CB 4.45Å; L65-L75 PolarHBondContact O-N 3Å; L65-T76 HydrophobicContact CB-CG2 4.07Å; L65-L114 HydrophobicContact CD1-CD2 4.27Å
66G95.8Very high95.3Very high1 Ų154.4 Ų54.41%0.0127%0.27CS..SBendtrans-65.8173178.800000113.4K36 Q62 S68K36-G66 PolarHBondContact NZ-O 3.42Å; Q62-G66 VanDerWaalsContact O-CA 3.24Å; Q62-G66 WeakPolarHBondContact O-CA 3.48Å; Q62-G66 PolarHBondContact O-N 3.41Å; G66-S68 PolarHBondContact O-N 3.01Å
67R94.6Very high95.1Very high179 Ų17954.2 Ų54.268%0.67527%0.272SS*.  trans-59.6136.7178.8-54.3-169.2-175.8179-1.6111.3E72 D74R67-E72 WeakPolarHBondContact CG-O 3.18Å; R67-D74 HydrophobicContact CG-CB 3.87Å
68S93.1Very high94.9Very high38 Ų3851.4 Ų51.427%0.26625%0.254SS..  trans-142.3165.2177.272.90000111.4G66 D70 C71G66-S68 PolarHBondContact O-N 3.01Å; S68-D70 PolarHBondContact O-N 3.43Å; S68-D70 VanDerWaalsContact O-N 3.15Å; S68-D70 PolarHBondContact OG-N 3.36Å; S68-C71 PolarHBondContact N-O 3.37Å; S68-C71 CarbonylContact O-C 3.2Å; S68-C71 PolarHBondContact O-N 2.87Å; S68-C71 VanDerWaalsContact O-N 3.12Å; S68-C71 PolarHBondContact OG-N 2.83Å
69S92.5Very high94.7Very high109 Ų10947.2 Ų47.276%0.76223%0.234SC*.SBendtrans-59-23.8174.750.50000113.6
70D92.7Very high94.5Very high27 Ų2747.2 Ų47.214%0.14423%0.234CC..SBendtrans-86.7-29.5178.1-71.9-60.5000112.8K2 S3 F6 L33 S68K2-D70 WeakPolarHBondContact CA-O 3.19Å; S3-D70 WeakPolarHBondContact CB-OD1 3.48Å; S3-D70 PolarHBondContact N-O 3.27Å; S3-D70 PolarHBondContact OG-OD1 2.87Å; F6-D70 HydrophobicContact CB-CB 4.31Å; F6-D70 WeakPolarHBondContact CB-O 3.33Å; L33-D70 HydrophobicContact CD2-CB 3.61Å; S68-D70 PolarHBondContact O-N 3.43Å; S68-D70 VanDerWaalsContact O-N 3.15Å; S68-D70 PolarHBondContact OG-N 3.36Å
71C91.8Very high94.3Very high3 Ų351.5 Ų51.52%0.0225%0.248CC..BIsolated β-bridgetrans-155.8111.4179.4-176.60000111.6F6 K36 S68 L73F6-C71 HydrophobicContact CD1-CB 4.2Å; F6-C71 HydrophobicContact CD2-CB 3.81Å; F6-C71 HydrophobicContact CE1-CB 4.23Å; F6-C71 HydrophobicContact CE2-CB 3.85Å; F6-C71 HydrophobicContact CG-CB 3.99Å; F6-C71 HydrophobicContact CZ-CB 4.06Å; K36-C71 HydrophobicContact CD-CB 4.3Å; K36-C71 PolarHBondContact NZ-O 3.3Å; S68-C71 PolarHBondContact N-O 3.37Å; S68-C71 CarbonylContact O-C 3.2Å; S68-C71 PolarHBondContact O-N 2.87Å; S68-C71 VanDerWaalsContact O-N 3.12Å; S68-C71 PolarHBondContact OG-N 2.83Å; C71-L73 PolarHBondContact O-N 3.35Å
72E93Very high94.2Very high112 Ų11254.3 Ų54.352%0.52327%0.266SS..  trans-67.8-12.8178.2-69-65.6158.600114.4R67 D74R67-E72 WeakPolarHBondContact CG-O 3.18Å; E72-D74 PolarHBondContact O-N 3.13Å
73L92.6Very high94.1Very high86 Ų8650 Ų5045%0.4525%0.245SC..  trans-70.7125.7179-172.565.1000109.6K36 L40 C71 L75K36-L73 WeakPolarHBondContact CE-O 3.4Å; K36-L73 PolarHBondContact NZ-O 3Å; L40-L73 HydrophobicContact CD1-CD2 3.61Å; L40-L73 HydrophobicContact CD2-CD2 4.49Å; C71-L73 PolarHBondContact O-N 3.35Å; L73-L75 HydrophobicContact CD2-CD2 3.7Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD2 3.92Å; L73-L75 HydrophobicContact CG-CG 4.33Å
74D93.6Very high94.2Very high60 Ų6041.5 Ų41.532%0.32121%0.214SC..  trans-91121.1173.2-162.6-22.2000109.7R67 E72 T76R67-D74 HydrophobicContact CG-CB 3.87Å; E72-D74 PolarHBondContact O-N 3.13Å; D74-T76 WeakPolarHBondContact OD1-CG2 3.26Å; D74-T76 PolarHBondContact OD1-N 3.06Å; D74-T76 PolarHBondContact OD1-OG1 3.35Å
75L94.7Very high94.1Very high13 Ų1345.2 Ų45.27%0.06823%0.23CC..  trans-1095.4-179.5-62.3176000112.5K36 Y39 L40 L65 L73 S77 C78K36-L75 HydrophobicContact CG-CD1 4.14Å; Y39-L75 HydrophobicContact CD1-CD1 4.47Å; L40-L75 HydrophobicContact CB-CD1 3.96Å; L40-L75 HydrophobicContact CD1-CD1 4.18Å; L40-L75 HydrophobicContact CD1-CD2 4.05Å; L65-L75 HydrophobicContact CB-CB 3.92Å; L65-L75 HydrophobicContact CD2-CB 4.23Å; L65-L75 HydrophobicContact CG-CB 4.45Å; L65-L75 PolarHBondContact O-N 3Å; L73-L75 HydrophobicContact CD2-CD2 3.7Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD2 3.92Å; L73-L75 HydrophobicContact CG-CG 4.33Å; L75-S77 PolarHBondContact O-N 2.91Å; L75-C78 HydrophobicContact CB-CB 4.46Å; L75-C78 HydrophobicContact CD2-CB 4.46Å; L75-C78 WeakPolarHBondContact O-CB 3.43Å; L75-C78 PolarHBondContact O-N 2.84Å
76T94.8Very high94.2Very high1 Ų145.8 Ų45.81%0.00624%0.235CC..THydrogen-bonded Turntrans-65.3-23.6-178.761.60000113.2L65 D74 L114 K115L65-T76 HydrophobicContact CB-CG2 4.07Å; D74-T76 WeakPolarHBondContact OD1-CG2 3.26Å; D74-T76 PolarHBondContact OD1-N 3.06Å; D74-T76 PolarHBondContact OD1-OG1 3.35Å; T76-L114 WeakPolarHBondContact O-CA 3.24Å; T76-K115 PolarHBondContact O-N 2.89Å
77S92.2Very high94.3Very high38 Ų3845.8 Ų45.827%0.26623%0.234SC..THydrogen-bonded Turntrans-88.2-2.8173.7-53.80000113.6L75 T79 K115 I117L75-S77 PolarHBondContact O-N 2.91Å; S77-T79 PolarHBondContact O-N 3.27Å; S77-K115 CarbonylContact C-O 3.54Å; S77-K115 VanDerWaalsContact CA-O 3.29Å; S77-K115 WeakPolarHBondContact CA-O 3.44Å; S77-I117 WeakPolarHBondContact O-CD1 3.34Å; S77-I117 WeakPolarHBondContact O-CG1 3.24Å
78C92.7Very high94.4Very high13 Ų1337.5 Ų37.59%0.08820%0.203CC..  trans-91.399.4173.8-177.90000108.1Y39 L75 C80Y39-C78 HydrophobicContact CE1-CB 4.25Å; Y39-C78 VanDerWaalsContact CE1-O 3.31Å; Y39-C78 WeakPolarHBondContact CE1-O 3.25Å; Y39-C78 PolarHBondContact OH-O 2.97Å; L75-C78 HydrophobicContact CB-CB 4.46Å; L75-C78 HydrophobicContact CD2-CB 4.46Å; L75-C78 WeakPolarHBondContact O-CB 3.43Å; L75-C78 PolarHBondContact O-N 2.84Å; C78-C80 VanDerWaalsContact C-N 3.3Å; C78-C80 PolarHBondContact O-N 3.14Å
79T93.4Very high94.5Very high0 Ų036.7 Ų36.70%020%0.197CC..  trans-99.151-17850.20000110.6S77 R81 L114 K115 D116 Q120 T127 M128S77-T79 PolarHBondContact O-N 3.27Å; T79-R81 PolarHBondContact O-N 2.84Å; T79-L114 HydrophobicContact CG2-CB 4.27Å; T79-L114 HydrophobicContact CG2-CD2 4.42Å; T79-K115 WeakPolarHBondContact CG2-O 3.48Å; T79-D116 WeakPolarHBondContact CG2-OD1 3.48Å; T79-Q120 PolarHBondContact OG1-NE2 3Å; T79-T127 CarbonylContact O-C 3.53Å; T79-T127 WeakPolarHBondContact O-CA 3.3Å; T79-T127 PolarHBondContact OG1-OG1 3.33Å; T79-M128 PolarHBondContact O-N 2.94Å
80C94.3Very high94.7Very high0 Ų031.5 Ų31.50%016%0.161CC..BIsolated β-bridgetrans-57120.7-175.7172.90000111.4Y39 C78 T82 C83 L84 C122 C124Y39-C80 HydrophobicContact CE1-CB 4.34Å; Y39-C80 PolarHBondContact OH-N 3.24Å; C78-C80 VanDerWaalsContact C-N 3.3Å; C78-C80 PolarHBondContact O-N 3.14Å; C80-T82 PolarHBondContact O-N 2.88Å; C80-C83 HydrophobicContact CB-CB 4.06Å; C80-C83 PolarHBondContact O-N 3.36Å; C80-C83 VanDerWaalsContact SG-SG 3.63Å; C80-L84 WeakPolarHBondContact O-CB 3.45Å; C80-L84 WeakPolarHBondContact O-CG 3.34Å; C80-L84 PolarHBondContact O-N 3.08Å; C80-C122 HydrophobicContact CB-CB 4.11Å; C80-C124 PolarHBondContact SG-SG 2.9Å
81R93.9Very high94.9Very high118 Ų11830.2 Ų30.245%0.44515%0.154SC..Hα-helixtrans-59.1-47-176.7179.7172-68.5-156.5-2.8112.4T79 H85 S126 T127 M128T79-R81 PolarHBondContact O-N 2.84Å; R81-H85 WeakPolarHBondContact O-CB 3.28Å; R81-H85 PolarHBondContact O-N 2.89Å; R81-S126 WeakPolarHBondContact CB-O 3.42Å; R81-S126 WeakPolarHBondContact CD-OG 3.4Å; R81-S126 PolarHBondContact N-O 2.96Å; R81-S126 PolarHBondContact NE-OG 3.23Å; R81-T127 PolarHBondContact NE-O 3.27Å; R81-T127 PolarHBondContact NH2-O 3.12Å; R81-M128 HydrophobicContact CB-CB 4.03Å; R81-M128 HydrophobicContact CG-CB 4.15Å; R81-M128 HydrophobicContact CG-CE 4.03Å; R81-M128 WeakPolarHBondContact O-CE 3.31Å
82T94.4Very high95.1Very high60 Ų6032.1 Ų32.137%0.36816%0.162SC..Hα-helixtrans-61.7-47.3-179.1-480000110.9A44 C80 S86A44-T82 HydrophobicContact CB-CG2 3.56Å; C80-T82 PolarHBondContact O-N 2.88Å; T82-S86 PolarHBondContact O-N 2.69Å; T82-S86 PolarHBondContact O-OG 3.1Å
83C96.5Very high95.2Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-65.9-48-179.3-67.30000112Y39 L47 C80 H85 S86 V87Y39-C83 HydrophobicContact CD2-CB 3.65Å; Y39-C83 HydrophobicContact CE1-CB 4.41Å; Y39-C83 HydrophobicContact CE2-CB 3.42Å; Y39-C83 VanDerWaalsContact CE2-CB 3.42Å; Y39-C83 HydrophobicContact CG-CB 4.22Å; L47-C83 HydrophobicContact CD2-CB 3.65Å; L47-C83 WeakPolarHBondContact CD2-O 3.22Å; C80-C83 HydrophobicContact CB-CB 4.06Å; C80-C83 PolarHBondContact O-N 3.36Å; C80-C83 VanDerWaalsContact SG-SG 3.63Å; C83-H85 VanDerWaalsContact C-N 3.34Å; C83-H85 PolarHBondContact O-N 3.44Å; C83-S86 WeakPolarHBondContact O-CB 3.4Å; C83-S86 PolarHBondContact O-N 3.06Å; C83-V87 WeakPolarHBondContact O-CG2 3.34Å; C83-V87 PolarHBondContact O-N 2.84Å
84L96.7Very high95.3Very high4 Ų425 Ų252%0.02113%0.128CC..Hα-helixtrans-64.1-39.4-179.9-69.8172.7000111.9Y39 M61 C80 S86 V87 L88 L114 M128 R133Y39-L84 HydrophobicContact CE2-CD2 4.26Å; Y39-L84 WeakPolarHBondContact OH-CG 3.37Å; M61-L84 HydrophobicContact CE-CD2 3.78Å; C80-L84 WeakPolarHBondContact O-CB 3.45Å; C80-L84 WeakPolarHBondContact O-CG 3.34Å; C80-L84 PolarHBondContact O-N 3.08Å; L84-S86 PolarHBondContact O-N 2.98Å; L84-V87 PolarHBondContact O-N 3.37Å; L84-L88 WeakPolarHBondContact O-CB 3.47Å; L84-L88 VanDerWaalsContact O-CG 3.32Å; L84-L88 WeakPolarHBondContact O-CG 3.34Å; L84-L88 PolarHBondContact O-N 3.45Å; L84-L114 HydrophobicContact CD1-CD1 4.36Å; L84-L114 HydrophobicContact CD2-CD1 3.7Å; L84-L114 HydrophobicContact CD2-CD2 4.5Å; L84-M128 HydrophobicContact CB-CB 4.46Å; L84-M128 HydrophobicContact CB-CE 4.32Å; L84-M128 HydrophobicContact CB-SD 3.71Å; L84-M128 HydrophobicContact CD1-CB 4.04Å; L84-R133 HydrophobicContact CD1-CG 4.46Å
85H96.6Very high95.4Very high87 Ų8722.1 Ų22.140%0.40311%0.112SC..Hα-helixtrans-59.4-45.9172.9-174.7-84.7000111.7R81 C83 L88 T89 M128 L136R81-H85 WeakPolarHBondContact O-CB 3.28Å; R81-H85 PolarHBondContact O-N 2.89Å; C83-H85 VanDerWaalsContact C-N 3.34Å; C83-H85 PolarHBondContact O-N 3.44Å; H85-L88 PolarHBondContact O-N 3.11Å; H85-T89 VanDerWaalsContact CE1-CG2 3.48Å; H85-T89 WeakPolarHBondContact CE1-CG2 3.25Å; H85-T89 WeakPolarHBondContact O-CB 3.42Å; H85-T89 WeakPolarHBondContact O-CG2 3.41Å; H85-T89 PolarHBondContact O-N 2.94Å; H85-T89 PolarHBondContact O-OG1 3.33Å; H85-M128 HydrophobicContact CB-CE 3.74Å; H85-L136 HydrophobicContact CB-CD2 4.47Å
86S97.7Very high95.3Very high13 Ų1323.1 Ų23.19%0.09112%0.117CC..Hα-helixtrans-62.5-40.5176-77.60000113.3A44 T82 C83 L84 T89 G90A44-S86 WeakPolarHBondContact CB-OG 3.44Å; A44-S86 WeakPolarHBondContact O-CB 3.45Å; A44-S86 PolarHBondContact O-OG 3.49Å; T82-S86 PolarHBondContact O-N 2.69Å; T82-S86 PolarHBondContact O-OG 3.1Å; C83-S86 WeakPolarHBondContact O-CB 3.4Å; C83-S86 PolarHBondContact O-N 3.06Å; L84-S86 PolarHBondContact O-N 2.98Å; S86-T89 WeakPolarHBondContact CA-OG1 3.3Å; S86-T89 PolarHBondContact O-OG1 3.02Å; S86-G90 PolarHBondContact O-N 2.9Å
87V97.8Very high95.1Very high1 Ų124.2 Ų24.21%0.00613%0.125CC..Hα-helixtrans-61.8-49.8175.9170.70000110.3F35 L47 V51 C83 L84 G90 L91F35-V87 HydrophobicContact CE2-CG2 3.79Å; F35-V87 HydrophobicContact CZ-CG1 4.49Å; F35-V87 HydrophobicContact CZ-CG2 3.63Å; L47-V87 HydrophobicContact CD1-CG2 4.18Å; L47-V87 HydrophobicContact CD2-CG2 3.66Å; L47-V87 HydrophobicContact CG-CG2 3.78Å; V51-V87 HydrophobicContact CG2-CB 4.48Å; V51-V87 HydrophobicContact CG2-CG1 4.27Å; V51-V87 HydrophobicContact CG2-CG2 4.34Å; C83-V87 WeakPolarHBondContact O-CG2 3.34Å; C83-V87 PolarHBondContact O-N 2.84Å; L84-V87 PolarHBondContact O-N 3.37Å; V87-G90 PolarHBondContact O-N 3.49Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 3.15Å
88L96.8Very high94.9Very high4 Ų426.1 Ų26.12%0.02114%0.137CC..Hα-helixtrans-65.4-50.5-177.9-67177.8000110.9L84 H85 G90 L91 K92 L111 M128 L136 L137 M140L84-L88 WeakPolarHBondContact O-CB 3.47Å; L84-L88 VanDerWaalsContact O-CG 3.32Å; L84-L88 WeakPolarHBondContact O-CG 3.34Å; L84-L88 PolarHBondContact O-N 3.45Å; H85-L88 PolarHBondContact O-N 3.11Å; L88-G90 VanDerWaalsContact C-N 3.26Å; L88-G90 PolarHBondContact O-N 3.24Å; L88-L91 HydrophobicContact CD2-CD1 4.29Å; L88-L91 WeakPolarHBondContact O-CA 3.45Å; L88-L91 WeakPolarHBondContact O-CB 3.34Å; L88-L91 PolarHBondContact O-N 2.95Å; L88-K92 PolarHBondContact O-N 2.87Å; L88-L111 HydrophobicContact CD2-CD1 3.94Å; L88-M128 HydrophobicContact CD1-SD 4.33Å; L88-L136 HydrophobicContact CB-CD2 4.36Å; L88-L136 HydrophobicContact CD1-CB 4.35Å; L88-L136 HydrophobicContact CD1-CD2 3.71Å; L88-L136 HydrophobicContact CD1-CG 4Å; L88-L137 HydrophobicContact CD2-CD1 4.24Å; L88-M140 VanDerWaalsContact C-SD 3.53Å; L88-M140 HydrophobicContact CB-CE 3.87Å; L88-M140 HydrophobicContact CB-SD 3.54Å; L88-M140 VanDerWaalsContact CB-SD 3.54Å; L88-M140 WeakPolarHBondContact O-CE 3.37Å
89T96.9Very high94.5Very high22 Ų2228.9 Ų28.914%0.13515%0.154CC..Hα-helixtrans-59.6-36175.652.10000112.8H48 H85 S86 L91 K92 D93H48-T89 PolarHBondContact ND1-OG1 3.04Å; H48-T89 VanDerWaalsContact ND1-OG1 3.11Å; H85-T89 VanDerWaalsContact CE1-CG2 3.48Å; H85-T89 WeakPolarHBondContact CE1-CG2 3.25Å; H85-T89 WeakPolarHBondContact O-CB 3.42Å; H85-T89 WeakPolarHBondContact O-CG2 3.41Å; H85-T89 PolarHBondContact O-N 2.94Å; H85-T89 PolarHBondContact O-OG1 3.33Å; S86-T89 WeakPolarHBondContact CA-OG1 3.3Å; S86-T89 PolarHBondContact O-OG1 3.02Å; T89-L91 VanDerWaalsContact C-N 3.29Å; T89-L91 PolarHBondContact O-N 2.8Å; T89-K92 WeakPolarHBondContact O-CB 3.31Å; T89-K92 PolarHBondContact O-N 3.03Å; T89-D93 PolarHBondContact O-N 2.95Å
90G96.7Very high93.9Very high0 Ų037.5 Ų37.50%019%0.187CC..Hα-helixtrans-62.9-31.7172.600000113.4H48 Q52 S86 V87 L88 D93 Y94H48-G90 PolarHBondContact ND1-N 3.32Å; Q52-G90 WeakPolarHBondContact CA-O 3.45Å; S86-G90 PolarHBondContact O-N 2.9Å; V87-G90 PolarHBondContact O-N 3.49Å; L88-G90 VanDerWaalsContact C-N 3.26Å; L88-G90 PolarHBondContact O-N 3.24Å; G90-D93 PolarHBondContact O-N 3.18Å; G90-Y94 WeakPolarHBondContact O-CB 3.41Å; G90-Y94 PolarHBondContact O-N 3.4Å
91L96.9Very high93.3Very high0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-69.8-39.9173.1-70.3171.4000112.4V51 L59 V87 L88 T89 D93 Y94 V95 L106 V109V51-L91 HydrophobicContact CG1-CB 4.4Å; V51-L91 HydrophobicContact CG1-CD2 3.5Å; V51-L91 VanDerWaalsContact CG1-CD2 3.5Å; V51-L91 HydrophobicContact CG1-CG 3.64Å; L59-L91 HydrophobicContact CD1-CD2 4.46Å; V87-L91 WeakPolarHBondContact O-CG 3.31Å; V87-L91 PolarHBondContact O-N 3.15Å; L88-L91 HydrophobicContact CD2-CD1 4.29Å; L88-L91 WeakPolarHBondContact O-CA 3.45Å; L88-L91 WeakPolarHBondContact O-CB 3.34Å; L88-L91 PolarHBondContact O-N 2.95Å; T89-L91 VanDerWaalsContact C-N 3.29Å; T89-L91 PolarHBondContact O-N 2.8Å; L91-D93 VanDerWaalsContact C-N 3.29Å; L91-D93 PolarHBondContact O-N 3.45Å; L91-Y94 WeakPolarHBondContact O-CB 3.49Å; L91-Y94 PolarHBondContact O-N 3.27Å; L91-V95 PolarHBondContact O-N 3.32Å; L91-V95 VanDerWaalsContact O-N 3.15Å; L91-L106 HydrophobicContact CD2-CD2 3.63Å; L91-V109 HydrophobicContact CD1-CB 4.35Å; L91-V109 HydrophobicContact CD1-CG1 3.82Å; L91-V109 HydrophobicContact CD1-CG2 3.89Å; L91-V109 HydrophobicContact CD2-CG2 3.62Å; L91-V109 HydrophobicContact CG-CG2 4.43Å
92K95.4Very high92.9Very high42 Ų4238.4 Ų38.418%0.18320%0.198CC..Hα-helixtrans-57.8-48171.8174175.871173.20109.7L88 T89 Y94 V95 L96 M140 E143L88-K92 PolarHBondContact O-N 2.87Å; T89-K92 WeakPolarHBondContact O-CB 3.31Å; T89-K92 PolarHBondContact O-N 3.03Å; K92-Y94 VanDerWaalsContact C-N 3.34Å; K92-Y94 PolarHBondContact O-N 3.06Å; K92-V95 WeakPolarHBondContact O-CB 3.48Å; K92-V95 PolarHBondContact O-N 3.37Å; K92-V95 VanDerWaalsContact O-N 3.11Å; K92-L96 HydrophobicContact CD-CD1 4.38Å; K92-L96 HydrophobicContact CG-CD1 3.81Å; K92-L96 HydrophobicContact CG-CG 4.48Å; K92-L96 WeakPolarHBondContact O-CG 3.35Å; K92-L96 PolarHBondContact O-N 3.45Å; K92-M140 HydrophobicContact CB-CE 4.08Å; K92-E143 HydrophobicContact CD-CB 4.28Å; K92-E143 IonicContact NZ-OE2 3.08Å; K92-E143 PolarHBondContact NZ-OE2 3.37Å
93D94.8Very high92.5Very high45 Ų4539.3 Ų39.324%0.24121%0.211CC..Hα-helixtrans-72.7-29-177.2-69.71.2000112.1H48 Q52 T89 G90 L91 V95 L96 S97H48-D93 IonicContact CE1-OD2 3.11Å; H48-D93 PolarHBondContact CE1-OD2 3Å; H48-D93 IonicContact NE2-OD2 3.06Å; H48-D93 PolarHBondContact NE2-OD2 2.97Å; Q52-D93 HydrophobicContact CG-CB 3.98Å; T89-D93 PolarHBondContact O-N 2.95Å; G90-D93 PolarHBondContact O-N 3.18Å; L91-D93 VanDerWaalsContact C-N 3.29Å; L91-D93 PolarHBondContact O-N 3.45Å; D93-V95 VanDerWaalsContact C-N 3.29Å; D93-V95 PolarHBondContact O-N 3.45Å; D93-L96 PolarHBondContact O-N 3.2Å; D93-S97 WeakPolarHBondContact O-CB 3.41Å; D93-S97 PolarHBondContact O-N 3.34Å; D93-S97 PolarHBondContact O-OG 3.04Å
94Y95.1Very high92.2Very high4 Ų441.5 Ų41.52%0.01622%0.221CC..Hα-helixtrans-57.3-42.9167.9176.6-87.9000111V51 Q52 W54 G90 L91 K92 K104 S105 L106 T160 I162V51-Y94 WeakPolarHBondContact O-CD2 3.46Å; Q52-Y94 WeakPolarHBondContact O-CD2 3.43Å; W54-Y94 HydrophobicContact CB-CD2 4.44Å; W54-Y94 HydrophobicContact CB-CE2 4.37Å; W54-Y94 WeakPolarHBondContact O-CE2 3.34Å; G90-Y94 WeakPolarHBondContact O-CB 3.41Å; G90-Y94 PolarHBondContact O-N 3.4Å; L91-Y94 WeakPolarHBondContact O-CB 3.49Å; L91-Y94 PolarHBondContact O-N 3.27Å; K92-Y94 VanDerWaalsContact C-N 3.34Å; K92-Y94 PolarHBondContact O-N 3.06Å; Y94-K104 HydrophobicContact CE1-CB 4.31Å; Y94-K104 HydrophobicContact CE1-CD 4.02Å; Y94-K104 HydrophobicContact CE1-CG 4.2Å; Y94-K104 HydrophobicContact CE2-CG 4.22Å; Y94-K104 WeakPolarHBondContact O-CE 3.4Å; Y94-K104 PolarHBondContact O-NZ 3.45Å; Y94-K104 VanDerWaalsContact OH-C 3.31Å; Y94-K104 WeakPolarHBondContact OH-CA 3.03Å; Y94-K104 VanDerWaalsContact OH-CB 3.22Å; Y94-K104 WeakPolarHBondContact OH-CB 3.08Å; Y94-S105 PolarHBondContact OH-N 2.97Å; Y94-L106 HydrophobicContact CD1-CD2 4.48Å; Y94-L106 HydrophobicContact CE1-CB 3.87Å; Y94-L106 HydrophobicContact CE1-CD2 4.39Å; Y94-L106 HydrophobicContact CE2-CB 4.26Å; Y94-L106 WeakPolarHBondContact OH-CB 3.43Å; Y94-L106 PolarHBondContact OH-N 2.89Å; Y94-T160 HydrophobicContact CE1-CG2 4.15Å; Y94-I162 HydrophobicContact CD1-CD1 3.64Å; Y94-I162 HydrophobicContact CE1-CD1 3.74Å
95V94.4Very high92.1Very high0 Ų042.8 Ų42.80%023%0.23CC..Hα-helixtrans-66.8-48.2177171.80000111L91 K92 D93 K104 T144 A157 T160 I162 P189 L190L91-V95 PolarHBondContact O-N 3.32Å; L91-V95 VanDerWaalsContact O-N 3.15Å; K92-V95 WeakPolarHBondContact O-CB 3.48Å; K92-V95 PolarHBondContact O-N 3.37Å; K92-V95 VanDerWaalsContact O-N 3.11Å; D93-V95 VanDerWaalsContact C-N 3.29Å; D93-V95 PolarHBondContact O-N 3.45Å; V95-K104 PolarHBondContact O-NZ 3.11Å; V95-T144 HydrophobicContact CB-CG2 4.39Å; V95-T144 HydrophobicContact CG1-CG2 3.88Å; V95-A157 HydrophobicContact CG1-CB 4.27Å; V95-A157 WeakPolarHBondContact O-CA 3.49Å; V95-A157 VanDerWaalsContact O-CB 3.31Å; V95-A157 WeakPolarHBondContact O-CB 3.42Å; V95-T160 HydrophobicContact CG2-CG2 4.09Å; V95-I162 HydrophobicContact CG2-CD1 3.98Å; V95-P189 HydrophobicContact CB-CB 4.46Å; V95-P189 HydrophobicContact CG1-CB 3.55Å; V95-P189 HydrophobicContact CG1-CG 3.59Å; V95-P189 HydrophobicContact CG2-CB 4Å; V95-L190 HydrophobicContact CG2-CD2 3.75Å; V95-L190 HydrophobicContact CG2-CG 4.18Å
96L92.8Very high92.1Very high34 Ų3438.8 Ų38.818%0.17821%0.212CC..Hα-helixtrans-78.4-29.8-171.1-62.2175000113.8K92 D93 T144 A147 M148 V153K92-L96 HydrophobicContact CD-CD1 4.38Å; K92-L96 HydrophobicContact CG-CD1 3.81Å; K92-L96 HydrophobicContact CG-CG 4.48Å; K92-L96 WeakPolarHBondContact O-CG 3.35Å; K92-L96 PolarHBondContact O-N 3.45Å; D93-L96 PolarHBondContact O-N 3.2Å; L96-T144 HydrophobicContact CD2-CG2 4.26Å; L96-A147 HydrophobicContact CD1-CB 3.65Å; L96-A147 HydrophobicContact CD2-CB 3.82Å; L96-A147 HydrophobicContact CG-CB 4.41Å; L96-M148 HydrophobicContact CD2-CG 3.85Å; L96-V153 HydrophobicContact CD2-CG1 4.13Å; L96-V153 HydrophobicContact CD2-CG2 4.5Å
97S90.7Very high92Very high23 Ų2343.2 Ų43.216%0.16123%0.231CC..SBendtrans-78.5148.8-175.9-57.10000111.9Q52 D93 K104Q52-S97 PolarHBondContact NE2-OG 3.38Å; D93-S97 WeakPolarHBondContact O-CB 3.41Å; D93-S97 PolarHBondContact O-N 3.34Å; D93-S97 PolarHBondContact O-OG 3.04Å; S97-K104 WeakPolarHBondContact O-CE 3.27Å; S97-K104 PolarHBondContact O-NZ 3.01Å
98P87.7Confident92.1Very high79 Ų7945.1 Ų45.151%0.51324%0.242SC..PPolyproline II helixtrans-66153167.929.3-34.3000111.1R100P98-R100 PolarHBondContact O-N 3.23Å
99P84.2Confident92.1Very high70 Ų7044.9 Ų44.946%0.45524%0.241SC..PPolyproline II helixtrans-57.9136.9170.925.7-32.7000109.9
100R81.9Confident92.2Very high182 Ų18245.1 Ų45.169%0.68724%0.242SC*.  trans-101.5-96.6177.8-63.8-172.1-178.5-152.43110.3P98P98-R100 PolarHBondContact O-N 3.23Å
101T81.9Confident92.2Very high65 Ų6545.6 Ų45.640%0.39924%0.244SC..SBendtrans-74.9-43.3-178-45.50000112.5S24S24-T101 WeakPolarHBondContact CA-OG1 3.42Å; S24-T101 WeakPolarHBondContact CB-OG1 3.45Å; S24-T101 VanDerWaalsContact O-CG2 3.27Å; S24-T101 WeakPolarHBondContact O-CG2 3.42Å
102Y84.2Confident92.2Very high72 Ų7247.5 Ų47.528%0.28226%0.255SS..SBendtrans-117.1150.8-175.7-59.9-78000109.9V26 S27 F28 Y31 P55V26-Y102 PolarHBondContact O-OH 3.11Å; S27-Y102 WeakPolarHBondContact CA-OH 3.19Å; F28-Y102 HydrophobicContact CB-CE1 4.19Å; F28-Y102 HydrophobicContact CB-CE2 4.46Å; F28-Y102 HydrophobicContact CD1-CE1 4.31Å; F28-Y102 PolarHBondContact N-OH 3.39Å; F28-Y102 VanDerWaalsContact N-OH 3.1Å; Y31-Y102 HydrophobicContact CE2-CE2 4.26Å; P55-Y102 HydrophobicContact CB-CD1 4.23Å; P55-Y102 HydrophobicContact CB-CD2 3.53Å; P55-Y102 HydrophobicContact CB-CE2 4.09Å; P55-Y102 HydrophobicContact CB-CG 3.61Å; P55-Y102 HydrophobicContact CG-CD2 4.26Å; P55-Y102 HydrophobicContact CG-CE2 4.44Å
103A86.8Confident92.2Very high78 Ų7846.2 Ų46.265%0.64525%0.253SS*.  trans-65150.1169.400000110.2S105A103-S105 PolarHBondContact O-N 2.79Å; A103-S105 VanDerWaalsContact O-N 3.17Å
104K90.8Very high92.2Very high46 Ų4644.4 Ų44.420%0.224%0.243CC..  trans-66.6115.5175.6-70.1-168.5-171.8-179.90109.7Y94 V95 S97 S156 T160Y94-K104 HydrophobicContact CE1-CB 4.31Å; Y94-K104 HydrophobicContact CE1-CD 4.02Å; Y94-K104 HydrophobicContact CE1-CG 4.2Å; Y94-K104 HydrophobicContact CE2-CG 4.22Å; Y94-K104 WeakPolarHBondContact O-CE 3.4Å; Y94-K104 PolarHBondContact O-NZ 3.45Å; Y94-K104 VanDerWaalsContact OH-C 3.31Å; Y94-K104 WeakPolarHBondContact OH-CA 3.03Å; Y94-K104 VanDerWaalsContact OH-CB 3.22Å; Y94-K104 WeakPolarHBondContact OH-CB 3.08Å; V95-K104 PolarHBondContact O-NZ 3.11Å; S97-K104 WeakPolarHBondContact O-CE 3.27Å; S97-K104 PolarHBondContact O-NZ 3.01Å; K104-S156 PolarHBondContact NZ-OG 3.28Å; K104-T160 WeakPolarHBondContact CD-OG1 3.45Å
105S93.4Very high92.1Very high31 Ų3150 Ų5022%0.21727%0.268CS..  trans-124.7-9.1-179.169.90000113.3P55 P57 Y94 A103 H107P55-S105 VanDerWaalsContact C-OG 3.22Å; P55-S105 PolarHBondContact O-OG 2.73Å; P57-S105 WeakPolarHBondContact CA-O 3.39Å; Y94-S105 PolarHBondContact OH-N 2.97Å; A103-S105 PolarHBondContact O-N 2.79Å; A103-S105 VanDerWaalsContact O-N 3.17Å; S105-H107 PolarHBondContact O-CE1 3.02Å; S105-H107 PolarHBondContact O-N 3.22Å; S105-H107 PolarHBondContact O-ND1 3.22Å
106L96.9Very high92Very high3 Ų351 Ų512%0.01627%0.273CS..  trans-65.9123.3179.2-177.460000111.1L56 L59 L91 Y94 V108 V109 I162L56-L106 WeakPolarHBondContact O-CA 3.07Å; L59-L106 HydrophobicContact CB-CD1 3.99Å; L91-L106 HydrophobicContact CD2-CD2 3.63Å; Y94-L106 HydrophobicContact CD1-CD2 4.48Å; Y94-L106 HydrophobicContact CE1-CB 3.87Å; Y94-L106 HydrophobicContact CE1-CD2 4.39Å; Y94-L106 HydrophobicContact CE2-CB 4.26Å; Y94-L106 WeakPolarHBondContact OH-CB 3.43Å; Y94-L106 PolarHBondContact OH-N 2.89Å; L106-V108 VanDerWaalsContact CD1-O 3.28Å; L106-V108 WeakPolarHBondContact CD1-O 3.28Å; L106-V109 HydrophobicContact CD1-CG2 4.21Å; L106-V109 HydrophobicContact CD2-CG2 3.95Å; L106-V109 HydrophobicContact CG-CG2 4.31Å; L106-I162 HydrophobicContact CD2-CD1 4.18Å; L106-I162 HydrophobicContact CG-CD1 4.34Å; L106-I162 HydrophobicContact CG-CG2 4.28Å
107H96.8Very high91.7Very high107 Ų10752.2 Ų52.250%0.49528%0.279SS..  trans-124.7-19.8176.1-53.796000112.8P57 S105 I162 D163P57-H107 PolarHBondContact O-N 2.77Å; S105-H107 PolarHBondContact O-CE1 3.02Å; S105-H107 PolarHBondContact O-N 3.22Å; S105-H107 PolarHBondContact O-ND1 3.22Å; H107-I162 CarbonylContact O-C 3.57Å; H107-I162 WeakPolarHBondContact O-CA 3.35Å; H107-D163 PolarHBondContact O-N 3.16Å
108V98.2Very high91.3Very high40 Ų4056.5 Ų56.524%0.24230%0.296CS..EExtended strand (participates in β ladder)trans-134.2129.1-179.3-1770000111P57 E58 L59 L106 D163 L165P57-V108 PolarHBondContact O-N 3.44Å; E58-V108 CarbonylContact C-O 3.5Å; E58-V108 VanDerWaalsContact CA-O 3.31Å; E58-V108 WeakPolarHBondContact CA-O 3.29Å; E58-V108 HydrophobicContact CG-CB 4.29Å; L59-V108 PolarHBondContact N-O 2.65Å; L106-V108 VanDerWaalsContact CD1-O 3.28Å; L106-V108 WeakPolarHBondContact CD1-O 3.28Å; V108-D163 CarbonylContact C-O 3.54Å; V108-D163 WeakPolarHBondContact CA-O 3.32Å; V108-L165 HydrophobicContact CG1-CD1 4.28Å; V108-L165 HydrophobicContact CG1-CG 4.46Å
109V98.4Very high91.2Very high0 Ų059.3 Ų59.30%030%0.302CS..EExtended strand (participates in β ladder)trans-117.4118.5168.3176.10000107.4L59 L91 L106 L111 I162 D163 V164 L165L59-V109 HydrophobicContact CB-CG2 4.23Å; L59-V109 HydrophobicContact CD2-CG1 4.36Å; L59-V109 CarbonylContact O-C 3.48Å; L59-V109 VanDerWaalsContact O-CA 3.3Å; L59-V109 WeakPolarHBondContact O-CA 3.38Å; L91-V109 HydrophobicContact CD1-CB 4.35Å; L91-V109 HydrophobicContact CD1-CG1 3.82Å; L91-V109 HydrophobicContact CD1-CG2 3.89Å; L91-V109 HydrophobicContact CD2-CG2 3.62Å; L91-V109 HydrophobicContact CG-CG2 4.43Å; L106-V109 HydrophobicContact CD1-CG2 4.21Å; L106-V109 HydrophobicContact CD2-CG2 3.95Å; L106-V109 HydrophobicContact CG-CG2 4.31Å; V109-L111 HydrophobicContact CG1-CD2 3.83Å; V109-L111 HydrophobicContact CG1-CG 4.07Å; V109-I162 HydrophobicContact CB-CG2 4.41Å; V109-I162 HydrophobicContact CG2-CG2 3.63Å; V109-D163 PolarHBondContact N-O 3.47Å; V109-V164 HydrophobicContact CB-CG1 4.25Å; V109-V164 HydrophobicContact CB-CG2 4.3Å; V109-V164 HydrophobicContact CG1-CG1 4.19Å; V109-V164 CarbonylContact O-C 3.58Å; V109-V164 WeakPolarHBondContact O-CA 3.48Å; V109-L165 PolarHBondContact O-N 2.62Å
110D98.1Very high91.2Very high27 Ų2757.1 Ų57.114%0.14429%0.286CS..EExtended strand (participates in β ladder)trans-113.2107.7-178.7-177.31.3000111L59 N60 M61 T112 L165L59-D110 PolarHBondContact O-N 3.42Å; N60-D110 HydrophobicContact CB-CB 4.33Å; N60-D110 WeakPolarHBondContact ND2-CB 3.45Å; N60-D110 PolarHBondContact ND2-OD2 2.9Å; M61-D110 WeakPolarHBondContact CB-O 3.4Å; M61-D110 VanDerWaalsContact CG-O 3.28Å; M61-D110 WeakPolarHBondContact CG-O 3.4Å; M61-D110 PolarHBondContact N-O 2.97Å; D110-T112 VanDerWaalsContact OD1-CB 3.29Å; D110-T112 WeakPolarHBondContact OD1-CB 3.5Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.43Å; D110-T112 PolarHBondContact OD1-N 2.78Å; D110-T112 PolarHBondContact OD1-OG1 3.35Å; D110-L165 HydrophobicContact CB-CD1 4.4Å
111L97.7Very high91.4Very high10 Ų1053.1 Ų53.15%0.05229%0.292CS..  trans-100.61.5178.6-52.1-179.9000112.7M61 L88 V109 A113 L114 V164 L165 L166M61-L111 HydrophobicContact CG-CD2 3.61Å; M61-L111 HydrophobicContact SD-CD2 4.27Å; L88-L111 HydrophobicContact CD2-CD1 3.94Å; V109-L111 HydrophobicContact CG1-CD2 3.83Å; V109-L111 HydrophobicContact CG1-CG 4.07Å; L111-A113 PolarHBondContact O-N 3.49Å; L111-L114 HydrophobicContact CB-CD1 4.36Å; L111-L114 PolarHBondContact O-N 2.92Å; L111-V164 HydrophobicContact CD1-CG1 4.18Å; L111-L165 WeakPolarHBondContact CB-O 3.36Å; L111-L165 PolarHBondContact N-O 3.41Å; L111-L166 HydrophobicContact CB-CB 4.48Å
112T96.3Very high91.6Very high39 Ų3950.5 Ų50.524%0.23928%0.276CS..THydrogen-bonded Turntrans-69.5-17.9-169.163.30000113.9D110 L114 L165 N167 V195D110-T112 VanDerWaalsContact OD1-CB 3.29Å; D110-T112 WeakPolarHBondContact OD1-CB 3.5Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.43Å; D110-T112 PolarHBondContact OD1-N 2.78Å; D110-T112 PolarHBondContact OD1-OG1 3.35Å; T112-L114 VanDerWaalsContact C-N 3.32Å; T112-L165 HydrophobicContact CG2-CB 3.99Å; T112-N167 PolarHBondContact O-ND2 2.92Å; T112-V195 HydrophobicContact CG2-CB 3.91Å; T112-V195 HydrophobicContact CG2-CG1 4.47Å; T112-V195 HydrophobicContact CG2-CG2 3.78Å
113A95.4Very high91.7Very high15 Ų1551.7 Ų51.712%0.12429%0.293CS..THydrogen-bonded Turntrans-78.2-12.4179.700000114.6Q62 L111 K115Q62-A113 HydrophobicContact CB-CB 3.61Å; L111-A113 PolarHBondContact O-N 3.49Å; A113-K115 PolarHBondContact O-N 3.2Å
114L95.3Very high91.6Very high7 Ų750.1 Ų50.14%0.03728%0.276CS..  trans-67.2131.2-179.1-69.1174.3000111M61 L65 T76 T79 L84 L111 T112M61-L114 HydrophobicContact CB-CG 4.49Å; M61-L114 HydrophobicContact CE-CD1 4.25Å; M61-L114 HydrophobicContact CE-CD2 3.83Å; M61-L114 HydrophobicContact CE-CG 4.37Å; L65-L114 HydrophobicContact CD1-CD2 4.27Å; T76-L114 WeakPolarHBondContact O-CA 3.24Å; T79-L114 HydrophobicContact CG2-CB 4.27Å; T79-L114 HydrophobicContact CG2-CD2 4.42Å; L84-L114 HydrophobicContact CD1-CD1 4.36Å; L84-L114 HydrophobicContact CD2-CD1 3.7Å; L84-L114 HydrophobicContact CD2-CD2 4.5Å; L111-L114 HydrophobicContact CB-CD1 4.36Å; L111-L114 PolarHBondContact O-N 2.92Å; T112-L114 VanDerWaalsContact C-N 3.32Å
115K92.5Very high91.5Very high123 Ų12356.1 Ų56.154%0.53530%0.302SS..  trans-117.1122.8179.5-62.3178.2-175.5177.90109.7T76 S77 T79 A113T76-K115 PolarHBondContact O-N 2.89Å; S77-K115 CarbonylContact C-O 3.54Å; S77-K115 VanDerWaalsContact CA-O 3.29Å; S77-K115 WeakPolarHBondContact CA-O 3.44Å; T79-K115 WeakPolarHBondContact CG2-O 3.48Å; A113-K115 PolarHBondContact O-N 3.2Å
116D91.2Very high91.2Very high21 Ų2156.4 Ų56.411%0.11231%0.305CS..  trans-82.5129.4178.3-59.7-61.2000109.8T79 G129 R130 R133 P485T79-D116 WeakPolarHBondContact CG2-OD1 3.48Å; D116-G129 WeakPolarHBondContact OD1-CA 3.37Å; D116-R130 PolarHBondContact OD2-N 2.84Å; D116-R133 IonicContact OD1-CZ 2.65Å; D116-R133 IonicContact OD1-NH1 3.41Å; D116-R133 PolarHBondContact OD1-NH1 2.97Å; D116-R133 IonicContact OD1-NH2 2.62Å; D116-R133 PolarHBondContact OD1-NH2 3.49Å; D116-R133 IonicContact OD2-CZ 2.9Å; D116-R133 IonicContact OD2-NH1 2.78Å; D116-R133 IonicContact OD2-NH2 3.35Å; D116-R133 PolarHBondContact OD2-NH2 2.88Å; D116-P485 HydrophobicContact CB-CB 3.41Å; D116-P485 VanDerWaalsContact CB-CB 3.41Å; D116-P485 HydrophobicContact CB-CG 3.88Å
117I87Confident90.9Very high59 Ų5958.1 Ų58.130%0.30332%0.315SS..  trans-130.8156.5-179.765.8174.9000110.3S77 H119 Q120S77-I117 WeakPolarHBondContact O-CD1 3.34Å; S77-I117 WeakPolarHBondContact O-CG1 3.24Å; I117-H119 WeakPolarHBondContact CD1-O 3.44Å; I117-Q120 PolarHBondContact O-NE2 2.93Å; I117-Q120 VanDerWaalsContact O-NE2 3.08Å
118E83.4Confident90.6Very high113 Ų11353.5 Ų53.553%0.52829%0.294SS..SBendtrans-59.4-51.4179.6-171.2179.5-166.900112.2Y483E118-Y483 VanDerWaalsContact CA-CZ 3.49Å; E118-Y483 HydrophobicContact CB-CD1 3.6Å; E118-Y483 HydrophobicContact CB-CD2 3.78Å; E118-Y483 HydrophobicContact CB-CE1 3.76Å; E118-Y483 HydrophobicContact CB-CE2 3.95Å; E118-Y483 HydrophobicContact CB-CG 3.6Å; E118-Y483 HydrophobicContact CG-CD1 4.36Å; E118-Y483 HydrophobicContact CG-CD2 3.58Å; E118-Y483 HydrophobicContact CG-CE2 3.78Å; E118-Y483 HydrophobicContact CG-CG 3.89Å
119H84.4Confident90.4Very high138 Ų13851.8 Ų51.864%0.63928%0.284SS*.SBendtrans-106106.8-171.1-66.398.6000111.1I117I117-H119 WeakPolarHBondContact CD1-O 3.44Å
120Q85Confident90.1Very high24 Ų2453.6 Ų53.611%0.11229%0.291CS..  trans-78125.9177.5-64.1-61.2-47.900111.2T79 I117 C122T79-Q120 PolarHBondContact OG1-NE2 3Å; I117-Q120 PolarHBondContact O-NE2 2.93Å; I117-Q120 VanDerWaalsContact O-NE2 3.08Å; Q120-C122 PolarHBondContact O-N 2.6Å
121A85.1Confident89.9Confident98 Ų9854.3 Ų54.381%0.8129%0.292SS*.  trans-76.8-6.7177.700000113.8
122C86.2Confident89.7Confident9 Ų954.7 Ų54.76%0.06130%0.296CS..SBendtrans-84149.7-174.771.70000112.7E42 C80 Q120 C124 K125E42-C122 WeakPolarHBondContact OE1-CB 3.47Å; E42-C122 PolarHBondContact OE1-SG 3.44Å; E42-C122 VanDerWaalsContact OE1-SG 3.34Å; C80-C122 HydrophobicContact CB-CB 4.11Å; Q120-C122 PolarHBondContact O-N 2.6Å; C122-C124 VanDerWaalsContact C-N 3.3Å; C122-C124 PolarHBondContact O-N 2.79Å; C122-K125 PolarHBondContact O-N 2.8Å
123P85.9Confident89.7Confident98 Ų9853.6 Ų53.664%0.63629%0.288SS*.THydrogen-bonded Turntrans-50.1-40.5-179.5-28.931.6000115.8E42 K125E42-P123 HydrophobicContact CG-CG 4.27Å; E42-P123 WeakPolarHBondContact OE1-CD 3.29Å; E42-P123 VanDerWaalsContact OE1-N 3.09Å; P123-K125 PolarHBondContact O-N 2.83Å
124C86.5Confident89.7Confident44 Ų4452.9 Ų52.930%0.29728%0.282SS..THydrogen-bonded Turntrans-73.2-14.5-178.670.50000113.7E42 C80 C122 S126E42-C124 PolarHBondContact OE1-N 2.87Å; E42-C124 PolarHBondContact OE1-SG 3.35Å; E42-C124 WeakPolarHBondContact OE2-CB 3.19Å; E42-C124 PolarHBondContact OE2-N 2.73Å; C80-C124 PolarHBondContact SG-SG 2.9Å; C122-C124 VanDerWaalsContact C-N 3.3Å; C122-C124 PolarHBondContact O-N 2.79Å; C124-S126 PolarHBondContact O-N 3.37Å
125K86.9Confident89.7Confident172 Ų17255.2 Ų55.275%0.74829%0.293SS*.  trans51.219.2-177.4-58.6-178.1178.6-177.50114.5C122 P123C122-K125 PolarHBondContact O-N 2.8Å; P123-K125 PolarHBondContact O-N 2.83Å
126S87.9Confident89.8Confident38 Ų3850.6 Ų50.627%0.26627%0.274SS..  trans-108.1123.6-175.6-1700000109.9R81 C124R81-S126 WeakPolarHBondContact CB-O 3.42Å; R81-S126 WeakPolarHBondContact CD-OG 3.4Å; R81-S126 PolarHBondContact N-O 2.96Å; R81-S126 PolarHBondContact NE-OG 3.23Å; C124-S126 PolarHBondContact O-N 3.37Å
127T89.8Confident90Very high39 Ų3949.7 Ų49.724%0.23927%0.269CS..BIsolated β-bridgetrans-91.1141.3176-1760000111.3T79 R81T79-T127 CarbonylContact O-C 3.53Å; T79-T127 WeakPolarHBondContact O-CA 3.3Å; T79-T127 PolarHBondContact OG1-OG1 3.33Å; R81-T127 PolarHBondContact NE-O 3.27Å; R81-T127 PolarHBondContact NH2-O 3.12Å
128M92.3Very high90.4Very high9 Ų947 Ų474%0.04426%0.255CS..  trans-110.296.7159-179.7-171.3-69.300107.1T79 R81 L84 H85 L88 A132 R133 L136T79-M128 PolarHBondContact O-N 2.94Å; R81-M128 HydrophobicContact CB-CB 4.03Å; R81-M128 HydrophobicContact CG-CB 4.15Å; R81-M128 HydrophobicContact CG-CE 4.03Å; R81-M128 WeakPolarHBondContact O-CE 3.31Å; L84-M128 HydrophobicContact CB-CB 4.46Å; L84-M128 HydrophobicContact CB-CE 4.32Å; L84-M128 HydrophobicContact CB-SD 3.71Å; L84-M128 HydrophobicContact CD1-CB 4.04Å; H85-M128 HydrophobicContact CB-CE 3.74Å; L88-M128 HydrophobicContact CD1-SD 4.33Å; M128-A132 HydrophobicContact CG-CB 3.73Å; M128-R133 HydrophobicContact CG-CG 3.76Å; M128-R133 PolarHBondContact O-NH1 3.39Å; M128-R133 HydrophobicContact SD-CG 3.83Å; M128-L136 HydrophobicContact CE-CD2 3.59Å; M128-L136 HydrophobicContact SD-CD2 4Å
129G92.1Very high90.9Very high4 Ų445.1 Ų45.14%0.04125%0.246CC..  trans-74.1-177.1-176.100000113.4D116 W131 A132 R133 E489D116-G129 WeakPolarHBondContact OD1-CA 3.37Å; G129-W131 VanDerWaalsContact C-N 3.29Å; G129-W131 PolarHBondContact O-N 3.44Å; G129-A132 PolarHBondContact O-N 3.33Å; G129-R133 VanDerWaalsContact C-CZ 3.5Å; G129-R133 WeakPolarHBondContact O-CB 3.14Å; G129-R133 VanDerWaalsContact O-CG 3.27Å; G129-R133 WeakPolarHBondContact O-CG 3.34Å; G129-R133 PolarHBondContact O-N 3.35Å; G129-E489 VanDerWaalsContact C-OE1 3.3Å; G129-E489 VanDerWaalsContact CA-CD 3.47Å; G129-E489 WeakPolarHBondContact CA-OE1 3.25Å; G129-E489 VanDerWaalsContact CA-OE2 3.3Å; G129-E489 WeakPolarHBondContact CA-OE2 3.49Å; G129-E489 PolarHBondContact N-OE1 3.22Å; G129-E489 VanDerWaalsContact N-OE1 3.11Å
130R93.9Very high91.3Very high38 Ų3838.6 Ų38.614%0.14322%0.216CC..Hα-helixtrans-57.3-41.6-176.8-166.9-172.1-57.1-170.211.4112.4D116 R133 T134 N167 F169 E223 D486 E489D116-R130 PolarHBondContact OD2-N 2.84Å; R130-R133 VanDerWaalsContact CA-NH2 3.32Å; R130-T134 WeakPolarHBondContact O-CB 3.27Å; R130-T134 PolarHBondContact O-N 3.18Å; R130-T134 PolarHBondContact O-OG1 3.33Å; R130-N167 HydrophobicContact CG-CB 4.32Å; R130-N167 WeakPolarHBondContact CG-O 3.39Å; R130-F169 HydrophobicContact CB-CB 4.32Å; R130-F169 HydrophobicContact CB-CD1 4.43Å; R130-F169 HydrophobicContact CG-CB 3.86Å; R130-E223 IonicContact NH1-OE2 3.43Å; R130-E223 PolarHBondContact NH1-OE2 3.31Å; R130-E223 VanDerWaalsContact NH1-OE2 3.11Å; R130-D486 IonicContact CZ-OD1 3.44Å; R130-D486 IonicContact CZ-OD2 3.67Å; R130-D486 IonicContact NE-OD1 3.71Å; R130-D486 PolarHBondContact NE-OD1 3.22Å; R130-D486 IonicContact NE-OD2 2.72Å; R130-D486 IonicContact NH1-OD2 2.73Å; R130-D486 IonicContact NH2-OD1 3.25Å; R130-D486 IonicContact NH2-OD2 3.67Å; R130-D486 PolarHBondContact NH2-OD2 2.94Å; R130-E489 PolarHBondContact N-OE2 3.08Å; R130-E489 VanDerWaalsContact N-OE2 3.07Å
131W93.9Very high91.7Very high43 Ų4337.6 Ų37.616%0.16321%0.212CC..Hα-helixtrans-67.9-49.6178.9-177.487.1000111.2G129 R133 T134 Q135 F169 T171 E489 T490G129-W131 VanDerWaalsContact C-N 3.29Å; G129-W131 PolarHBondContact O-N 3.44Å; W131-R133 VanDerWaalsContact C-N 3.31Å; W131-R133 PolarHBondContact O-N 3.33Å; W131-T134 WeakPolarHBondContact O-CB 3.47Å; W131-T134 PolarHBondContact O-N 3.31Å; W131-T134 VanDerWaalsContact O-N 3.08Å; W131-Q135 VanDerWaalsContact CZ2-OE1 3.26Å; W131-Q135 VanDerWaalsContact CZ3-OE1 3.29Å; W131-Q135 PolarHBondContact O-N 3.49Å; W131-F169 HydrophobicContact CB-CB 4.4Å; W131-F169 HydrophobicContact CB-CD1 3.57Å; W131-F169 HydrophobicContact CB-CE1 4.03Å; W131-F169 HydrophobicContact CB-CG 4.14Å; W131-F169 HydrophobicContact CG-CD1 4.35Å; W131-T171 VanDerWaalsContact CD1-CG2 3.49Å; W131-T171 PolarHBondContact NE1-OG1 3.48Å; W131-T171 VanDerWaalsContact NE1-OG1 3.09Å; W131-E489 VanDerWaalsContact CB-CD 3.49Å; W131-E489 HydrophobicContact CB-CG 3.99Å; W131-E489 VanDerWaalsContact CB-OE2 3.22Å; W131-E489 WeakPolarHBondContact CB-OE2 3.45Å; W131-E489 HydrophobicContact CE3-CG 4.37Å; W131-E489 PolarHBondContact N-OE2 3.09Å; W131-T490 HydrophobicContact CB-CG2 4.42Å; W131-T490 HydrophobicContact CG-CG2 4.12Å
132A93.1Very high92Very high18 Ų1838.9 Ų38.915%0.14920%0.196CC..Hα-helixtrans-62.5-37.9179.500000112.1M128 G129 Q135 L136 E489M128-A132 HydrophobicContact CG-CB 3.73Å; G129-A132 PolarHBondContact O-N 3.33Å; A132-Q135 PolarHBondContact O-N 3.36Å; A132-L136 WeakPolarHBondContact O-CB 3.48Å; A132-L136 PolarHBondContact O-N 2.89Å; A132-E489 WeakPolarHBondContact CB-OE1 3.38Å; A132-E489 PolarHBondContact N-OE1 2.78Å
133R95.4Very high92.3Very high15 Ų1541.4 Ų41.46%0.05721%0.207CC..Hα-helixtrans-62.1-44.2172.8-71.8-174.9-60.7-99.87.3111.7L84 D116 M128 G129 R130 W131 L137L84-R133 HydrophobicContact CD1-CG 4.46Å; D116-R133 IonicContact OD1-CZ 2.65Å; D116-R133 IonicContact OD1-NH1 3.41Å; D116-R133 PolarHBondContact OD1-NH1 2.97Å; D116-R133 IonicContact OD1-NH2 2.62Å; D116-R133 PolarHBondContact OD1-NH2 3.49Å; D116-R133 IonicContact OD2-CZ 2.9Å; D116-R133 IonicContact OD2-NH1 2.78Å; D116-R133 IonicContact OD2-NH2 3.35Å; D116-R133 PolarHBondContact OD2-NH2 2.88Å; M128-R133 HydrophobicContact CG-CG 3.76Å; M128-R133 PolarHBondContact O-NH1 3.39Å; M128-R133 HydrophobicContact SD-CG 3.83Å; G129-R133 VanDerWaalsContact C-CZ 3.5Å; G129-R133 WeakPolarHBondContact O-CB 3.14Å; G129-R133 VanDerWaalsContact O-CG 3.27Å; G129-R133 WeakPolarHBondContact O-CG 3.34Å; G129-R133 PolarHBondContact O-N 3.35Å; R130-R133 VanDerWaalsContact CA-NH2 3.32Å; W131-R133 VanDerWaalsContact C-N 3.31Å; W131-R133 PolarHBondContact O-N 3.33Å; R133-L137 VanDerWaalsContact O-CB 3.3Å; R133-L137 WeakPolarHBondContact O-CB 3.36Å; R133-L137 PolarHBondContact O-N 3.25Å
134T96.3Very high92.6Very high0 Ų036.7 Ų36.70%018%0.177CC..Hα-helixtrans-61.8-46.9178.2-58.80000110.9R130 W131 T138 F169 V178 F194R130-T134 WeakPolarHBondContact O-CB 3.27Å; R130-T134 PolarHBondContact O-N 3.18Å; R130-T134 PolarHBondContact O-OG1 3.33Å; W131-T134 WeakPolarHBondContact O-CB 3.47Å; W131-T134 PolarHBondContact O-N 3.31Å; W131-T134 VanDerWaalsContact O-N 3.08Å; T134-T138 WeakPolarHBondContact O-CB 3.35Å; T134-T138 WeakPolarHBondContact O-CG2 3.43Å; T134-T138 PolarHBondContact O-N 2.67Å; T134-T138 VanDerWaalsContact O-N 3.1Å; T134-T138 PolarHBondContact O-OG1 2.94Å; T134-F169 PolarHBondContact OG1-N 3.46Å; T134-V178 HydrophobicContact CG2-CG2 4.08Å; T134-F194 HydrophobicContact CG2-CE1 4.4Å; T134-F194 HydrophobicContact CG2-CZ 3.78Å
135Q94.4Very high92.8Very high57 Ų5735.8 Ų35.827%0.26617%0.169SC..Hα-helixtrans-63.4-48.7178.4-178.4175.6-29.500112.1W131 A132 L137 T138 Q139 L177W131-Q135 VanDerWaalsContact CZ2-OE1 3.26Å; W131-Q135 VanDerWaalsContact CZ3-OE1 3.29Å; W131-Q135 PolarHBondContact O-N 3.49Å; A132-Q135 PolarHBondContact O-N 3.36Å; Q135-L137 PolarHBondContact O-N 3.19Å; Q135-T138 PolarHBondContact O-N 3.34Å; Q135-T138 PolarHBondContact O-OG1 2.86Å; Q135-Q139 WeakPolarHBondContact O-CB 3.29Å; Q135-Q139 PolarHBondContact O-N 3.23Å; Q135-L177 HydrophobicContact CG-CD1 4.06Å
136L94.7Very high93Very high26 Ų2630.9 Ų30.914%0.13615%0.153CC..Hα-helixtrans-63.7-43.9-177.9179.157.2000111.7H85 L88 M128 A132 Q139 M140H85-L136 HydrophobicContact CB-CD2 4.47Å; L88-L136 HydrophobicContact CB-CD2 4.36Å; L88-L136 HydrophobicContact CD1-CB 4.35Å; L88-L136 HydrophobicContact CD1-CD2 3.71Å; L88-L136 HydrophobicContact CD1-CG 4Å; M128-L136 HydrophobicContact CE-CD2 3.59Å; M128-L136 HydrophobicContact SD-CD2 4Å; A132-L136 WeakPolarHBondContact O-CB 3.48Å; A132-L136 PolarHBondContact O-N 2.89Å; L136-Q139 PolarHBondContact O-N 3.01Å; L136-M140 HydrophobicContact CD1-CG 4.26Å; L136-M140 HydrophobicContact CD1-SD 4.27Å; L136-M140 HydrophobicContact CG-SD 4.15Å; L136-M140 WeakPolarHBondContact O-CB 2.84Å; L136-M140 VanDerWaalsContact O-CG 3.3Å; L136-M140 WeakPolarHBondContact O-CG 3.29Å; L136-M140 PolarHBondContact O-N 2.93Å
137L95.8Very high93.1Very high1 Ų130.5 Ų30.51%0.00515%0.152CC..Hα-helixtrans-64.1-43.2179.3-178.664.3000111.8L88 R133 Q135 M140 C141 V164 L166 V192L88-L137 HydrophobicContact CD2-CD1 4.24Å; R133-L137 VanDerWaalsContact O-CB 3.3Å; R133-L137 WeakPolarHBondContact O-CB 3.36Å; R133-L137 PolarHBondContact O-N 3.25Å; Q135-L137 PolarHBondContact O-N 3.19Å; L137-M140 PolarHBondContact O-N 2.94Å; L137-C141 PolarHBondContact O-N 3.21Å; L137-C141 PolarHBondContact O-SG 2.93Å; L137-C141 VanDerWaalsContact O-SG 3.37Å; L137-V164 HydrophobicContact CD1-CG1 3.97Å; L137-V164 HydrophobicContact CD2-CB 4.19Å; L137-V164 HydrophobicContact CD2-CG1 3.56Å; L137-V164 HydrophobicContact CG-CG1 4.43Å; L137-L166 HydrophobicContact CD2-CD1 3.88Å; L137-L166 HydrophobicContact CD2-CD2 3.75Å; L137-L166 HydrophobicContact CD2-CG 4.38Å; L137-V192 HydrophobicContact CD2-CG1 3.99Å; L137-V192 HydrophobicContact CD2-CG2 3.96Å; L137-V192 HydrophobicContact CG-CG2 3.93Å
138T94.9Very high93.1Very high2 Ų229.5 Ų29.51%0.01215%0.145CC..Hα-helixtrans-68.4-39.4179.250.90000112.2T134 Q135 C141 Y142 V178 A181T134-T138 WeakPolarHBondContact O-CB 3.35Å; T134-T138 WeakPolarHBondContact O-CG2 3.43Å; T134-T138 PolarHBondContact O-N 2.67Å; T134-T138 VanDerWaalsContact O-N 3.1Å; T134-T138 PolarHBondContact O-OG1 2.94Å; Q135-T138 PolarHBondContact O-N 3.34Å; Q135-T138 PolarHBondContact O-OG1 2.86Å; T138-C141 WeakPolarHBondContact O-CB 3.3Å; T138-C141 PolarHBondContact O-N 3.42Å; T138-Y142 PolarHBondContact O-N 2.88Å; T138-V178 HydrophobicContact CG2-CB 4.4Å; T138-V178 HydrophobicContact CG2-CG2 3.98Å; T138-A181 HydrophobicContact CG2-CB 3.88Å
139Q93.6Very high92.8Very high75 Ų7536.5 Ų36.535%0.3518%0.178SC..Hα-helixtrans-58.9-46.2169.8178-179.9-18.100111.4Q135 L136 C141 Y142 E143Q135-Q139 WeakPolarHBondContact O-CB 3.29Å; Q135-Q139 PolarHBondContact O-N 3.23Å; L136-Q139 PolarHBondContact O-N 3.01Å; Q139-C141 VanDerWaalsContact C-N 3.31Å; Q139-C141 PolarHBondContact O-N 2.78Å; Q139-Y142 WeakPolarHBondContact O-CB 3.32Å; Q139-Y142 PolarHBondContact O-N 3.11Å; Q139-Y142 VanDerWaalsContact O-N 3.09Å; Q139-E143 HydrophobicContact CG-CG 4.41Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.49Å; Q139-E143 PolarHBondContact NE2-OE1 2.88Å; Q139-E143 PolarHBondContact O-N 3.24Å
140M92.9Very high92.3Very high1 Ų139 Ų391%0.00520%0.198CC..Hα-helixtrans-64-33.9179.2-80.2174.631.400113.5L88 K92 L136 L137 Y142 E143 T144 L190L88-M140 VanDerWaalsContact C-SD 3.53Å; L88-M140 HydrophobicContact CB-CE 3.87Å; L88-M140 HydrophobicContact CB-SD 3.54Å; L88-M140 VanDerWaalsContact CB-SD 3.54Å; L88-M140 WeakPolarHBondContact O-CE 3.37Å; K92-M140 HydrophobicContact CB-CE 4.08Å; L136-M140 HydrophobicContact CD1-CG 4.26Å; L136-M140 HydrophobicContact CD1-SD 4.27Å; L136-M140 HydrophobicContact CG-SD 4.15Å; L136-M140 WeakPolarHBondContact O-CB 2.84Å; L136-M140 VanDerWaalsContact O-CG 3.3Å; L136-M140 WeakPolarHBondContact O-CG 3.29Å; L136-M140 PolarHBondContact O-N 2.93Å; L137-M140 PolarHBondContact O-N 2.94Å; M140-Y142 PolarHBondContact O-N 3.34Å; M140-E143 PolarHBondContact O-N 3.42Å; M140-T144 VanDerWaalsContact O-CB 3.29Å; M140-T144 WeakPolarHBondContact O-CB 3.4Å; M140-T144 PolarHBondContact O-N 3.35Å; M140-T144 PolarHBondContact O-OG1 2.91Å; M140-L190 HydrophobicContact CE-CD1 4.26Å
141C93.9Very high90.8Very high3 Ų343.2 Ų43.22%0.0223%0.233CC..Hα-helixtrans-57.6-43.1172.5-73.20000111L137 T138 Q139 M145 A181 V192L137-C141 PolarHBondContact O-N 3.21Å; L137-C141 PolarHBondContact O-SG 2.93Å; L137-C141 VanDerWaalsContact O-SG 3.37Å; T138-C141 WeakPolarHBondContact O-CB 3.3Å; T138-C141 PolarHBondContact O-N 3.42Å; Q139-C141 VanDerWaalsContact C-N 3.31Å; Q139-C141 PolarHBondContact O-N 2.78Å; C141-M145 VanDerWaalsContact O-CG 3.29Å; C141-M145 WeakPolarHBondContact O-CG 3.42Å; C141-M145 PolarHBondContact O-N 3.33Å; C141-M145 VanDerWaalsContact O-N 3.12Å; C141-A181 HydrophobicContact CB-CB 4.27Å; C141-V192 WeakPolarHBondContact SG-CG2 3.43Å
142Y91.3Very high89.9Confident124 Ų12448.9 Ų48.949%0.48627%0.267SS..Hα-helixtrans-65.9-48.5175.1-178.1-96.5000112T138 Q139 M140 T144 M145 V146 L184T138-Y142 PolarHBondContact O-N 2.88Å; Q139-Y142 WeakPolarHBondContact O-CB 3.32Å; Q139-Y142 PolarHBondContact O-N 3.11Å; Q139-Y142 VanDerWaalsContact O-N 3.09Å; M140-Y142 PolarHBondContact O-N 3.34Å; Y142-T144 VanDerWaalsContact C-N 3.29Å; Y142-T144 PolarHBondContact O-N 2.96Å; Y142-M145 WeakPolarHBondContact O-CB 3.5Å; Y142-M145 PolarHBondContact O-N 2.7Å; Y142-M145 VanDerWaalsContact O-N 3.11Å; Y142-V146 HydrophobicContact CD1-CG2 4.02Å; Y142-V146 HydrophobicContact CE1-CG2 3.59Å; Y142-V146 HydrophobicContact CE2-CG2 4.36Å; Y142-V146 WeakPolarHBondContact O-CG2 3.48Å; Y142-V146 PolarHBondContact O-N 2.79Å; Y142-L184 HydrophobicContact CD2-CD1 4.3Å
143E92.1Very high89.3Confident62 Ų6249.6 Ų49.629%0.2927%0.269SS..Hα-helixtrans-58.8-39.8177.5-69.5177.9-171.200112.7K92 Q139 M140 M145 V146 A147K92-E143 HydrophobicContact CD-CB 4.28Å; K92-E143 IonicContact NZ-OE2 3.08Å; K92-E143 PolarHBondContact NZ-OE2 3.37Å; Q139-E143 HydrophobicContact CG-CG 4.41Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.49Å; Q139-E143 PolarHBondContact NE2-OE1 2.88Å; Q139-E143 PolarHBondContact O-N 3.24Å; M140-E143 PolarHBondContact O-N 3.42Å; E143-M145 VanDerWaalsContact C-N 3.33Å; E143-V146 PolarHBondContact O-N 2.97Å; E143-A147 WeakPolarHBondContact O-CB 3.48Å; E143-A147 PolarHBondContact O-N 3.15Å
144T92.1Very high88.7Confident0 Ų049.9 Ų49.90%027%0.274CS..Hα-helixtrans-62.7-43.8176.6-550000110.2V95 L96 M140 Y142 A147 M148V95-T144 HydrophobicContact CB-CG2 4.39Å; V95-T144 HydrophobicContact CG1-CG2 3.88Å; L96-T144 HydrophobicContact CD2-CG2 4.26Å; M140-T144 VanDerWaalsContact O-CB 3.29Å; M140-T144 WeakPolarHBondContact O-CB 3.4Å; M140-T144 PolarHBondContact O-N 3.35Å; M140-T144 PolarHBondContact O-OG1 2.91Å; Y142-T144 VanDerWaalsContact C-N 3.29Å; Y142-T144 PolarHBondContact O-N 2.96Å; T144-A147 PolarHBondContact O-N 2.9Å; T144-M148 HydrophobicContact CG2-SD 4.19Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 VanDerWaalsContact O-CG 3.25Å; T144-M148 WeakPolarHBondContact O-CG 3.46Å; T144-M148 PolarHBondContact O-N 3.39Å
145M91.5Very high88.1Confident25 Ų2554.7 Ų54.712%0.12331%0.305CS..Hα-helixtrans-62.8-44.3176.5-74.7-60.7-58.800112.4C141 Y142 E143 A147 M148 Q149 Y187 C188C141-M145 VanDerWaalsContact O-CG 3.29Å; C141-M145 WeakPolarHBondContact O-CG 3.42Å; C141-M145 PolarHBondContact O-N 3.33Å; C141-M145 VanDerWaalsContact O-N 3.12Å; Y142-M145 WeakPolarHBondContact O-CB 3.5Å; Y142-M145 PolarHBondContact O-N 2.7Å; Y142-M145 VanDerWaalsContact O-N 3.11Å; E143-M145 VanDerWaalsContact C-N 3.33Å; M145-A147 VanDerWaalsContact C-N 3.35Å; M145-M148 PolarHBondContact O-N 3.32Å; M145-Q149 WeakPolarHBondContact O-CG 3.21Å; M145-Q149 PolarHBondContact O-N 2.72Å; M145-Y187 VanDerWaalsContact SD-C 3.53Å; M145-C188 HydrophobicContact CG-CB 3.99Å; M145-C188 WeakPolarHBondContact SD-CA 3.41Å; M145-C188 HydrophobicContact SD-CB 3.85Å; M145-C188 PolarHBondContact SD-N 2.94Å; M145-C188 VanDerWaalsContact SD-N 3.44Å
146V90.9Very high87.6Confident68 Ų6852.8 Ų52.841%0.41230%0.298SS..Hα-helixtrans-62.2-44.3176.5172.40000110.6Y142 E143 M148 Q149Y142-V146 HydrophobicContact CD1-CG2 4.02Å; Y142-V146 HydrophobicContact CE1-CG2 3.59Å; Y142-V146 HydrophobicContact CE2-CG2 4.36Å; Y142-V146 WeakPolarHBondContact O-CG2 3.48Å; Y142-V146 PolarHBondContact O-N 2.79Å; E143-V146 PolarHBondContact O-N 2.97Å; V146-M148 VanDerWaalsContact C-N 3.35Å; V146-M148 PolarHBondContact O-N 2.69Å; V146-Q149 PolarHBondContact O-N 3.08Å
147A90.5Very high87.1Confident31 Ų3151.5 Ų51.526%0.25629%0.291SS..Hα-helixtrans-61.4-42.7177.100000111.8L96 E143 T144 M145 Q149 A150 V153L96-A147 HydrophobicContact CD1-CB 3.65Å; L96-A147 HydrophobicContact CD2-CB 3.82Å; L96-A147 HydrophobicContact CG-CB 4.41Å; E143-A147 WeakPolarHBondContact O-CB 3.48Å; E143-A147 PolarHBondContact O-N 3.15Å; T144-A147 PolarHBondContact O-N 2.9Å; M145-A147 VanDerWaalsContact C-N 3.35Å; A147-Q149 PolarHBondContact O-N 3.32Å; A147-A150 VanDerWaalsContact O-CB 3.3Å; A147-A150 WeakPolarHBondContact O-CB 3.31Å; A147-A150 PolarHBondContact O-N 3.43Å; A147-V153 WeakPolarHBondContact O-CG2 3.3Å
148M89.3Confident86.7Confident18 Ų1858 Ų589%0.08932%0.32CS..Hα-helixtrans-64.2-21176.9-72.3177.474.900114.6L96 T144 M145 V146 A150 V153 A157 F158 P189L96-M148 HydrophobicContact CD2-CG 3.85Å; T144-M148 HydrophobicContact CG2-SD 4.19Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 VanDerWaalsContact O-CG 3.25Å; T144-M148 WeakPolarHBondContact O-CG 3.46Å; T144-M148 PolarHBondContact O-N 3.39Å; M145-M148 PolarHBondContact O-N 3.32Å; V146-M148 VanDerWaalsContact C-N 3.35Å; V146-M148 PolarHBondContact O-N 2.69Å; M148-A150 VanDerWaalsContact C-N 3.35Å; M148-V153 HydrophobicContact CG-CG1 4.28Å; M148-A157 HydrophobicContact CE-CB 4.15Å; M148-F158 HydrophobicContact CE-CD1 3.46Å; M148-F158 VanDerWaalsContact CE-CD1 3.46Å; M148-F158 HydrophobicContact CE-CE1 3.54Å; M148-F158 HydrophobicContact CE-CG 4.02Å; M148-F158 HydrophobicContact CE-CZ 4.16Å; M148-P189 HydrophobicContact CE-CG 3.72Å; M148-P189 WeakPolarHBondContact SD-CD 3.3Å; M148-P189 HydrophobicContact SD-CG 3.37Å; M148-P189 WeakPolarHBondContact SD-CG 3.41Å
149Q86.4Confident86.4Confident155 Ų15566 Ų6672%0.72436%0.357SS*.Hα-helixtrans-81.8-15.4173.7-70.2175.2-8.700112.7M145 V146 A147M145-Q149 WeakPolarHBondContact O-CG 3.21Å; M145-Q149 PolarHBondContact O-N 2.72Å; V146-Q149 PolarHBondContact O-N 3.08Å; A147-Q149 PolarHBondContact O-N 3.32Å
150A82.1Confident86.3Confident58 Ų5863.1 Ų63.148%0.47935%0.345SS..SBendtrans-75.6145.1172.600000110.6A147 M148 D152A147-A150 VanDerWaalsContact O-CB 3.3Å; A147-A150 WeakPolarHBondContact O-CB 3.31Å; A147-A150 PolarHBondContact O-N 3.43Å; M148-A150 VanDerWaalsContact C-N 3.35Å; A150-D152 PolarHBondContact O-N 2.97Å
151S62.3Low86.4Confident125 Ų12565.6 Ų65.687%0.87436%0.362SS*.THydrogen-bonded Turntrans-66.1-3.6-169.3-53.80000116.5
152D73.9Confident86.6Confident162 Ų16265.5 Ų65.587%0.86636%0.361SS*.THydrogen-bonded Turntrans-11018.6-169.2-69.5-30.3000114.4A150A150-D152 PolarHBondContact O-N 2.97Å
153V80.8Confident86.8Confident33 Ų3361.1 Ų61.120%0.235%0.346CS..  trans-90.2136.3-176.6-175.70000113.1L96 A147 M148 A157L96-V153 HydrophobicContact CD2-CG1 4.13Å; L96-V153 HydrophobicContact CD2-CG2 4.5Å; A147-V153 WeakPolarHBondContact O-CG2 3.3Å; M148-V153 HydrophobicContact CG-CG1 4.28Å; V153-A157 HydrophobicContact CG1-CB 3.51Å
154S82.2Confident87.1Confident22 Ų2258.1 Ų58.115%0.15433%0.332CS..  trans-56.9136.3176.6173.40000112.1S156 A157S154-S156 PolarHBondContact O-N 2.91Å; S154-S156 VanDerWaalsContact O-N 3.08Å; S154-S156 PolarHBondContact OG-N 2.9Å; S154-S156 PolarHBondContact OG-OG 3.07Å; S154-A157 VanDerWaalsContact O-CB 3.25Å; S154-A157 WeakPolarHBondContact O-CB 3.43Å; S154-A157 PolarHBondContact O-N 3.23Å
155P84.1Confident87.3Confident100 Ų10060.1 Ų60.165%0.64934%0.342SS*.THydrogen-bonded Turntrans-53.4-32.8176-27.534.9000113.8A157 F158P155-A157 PolarHBondContact O-N 3.44Å; P155-A157 VanDerWaalsContact O-N 3.08Å; P155-F158 PolarHBondContact O-N 2.83Å
156S84.1Confident87.5Confident17 Ų1759.2 Ų59.212%0.11934%0.338CS..Hα-helixtrans-58.2-22.317768.10000114K104 S154 F158 E159 T160K104-S156 PolarHBondContact NZ-OG 3.28Å; S154-S156 PolarHBondContact O-N 2.91Å; S154-S156 VanDerWaalsContact O-N 3.08Å; S154-S156 PolarHBondContact OG-N 2.9Å; S154-S156 PolarHBondContact OG-OG 3.07Å; S156-F158 VanDerWaalsContact C-N 3.27Å; S156-F158 PolarHBondContact O-N 3.37Å; S156-E159 PolarHBondContact O-N 2.97Å; S156-T160 PolarHBondContact O-N 3.14Å; S156-T160 VanDerWaalsContact O-N 3.1Å; S156-T160 PolarHBondContact O-OG1 3.05Å
157A85.1Confident87.8Confident0 Ų057.7 Ų57.70%033%0.328CS..Hα-helixtrans-65.2-32.217700000112.1V95 M148 V153 S154 P155 P189V95-A157 HydrophobicContact CG1-CB 4.27Å; V95-A157 WeakPolarHBondContact O-CA 3.49Å; V95-A157 VanDerWaalsContact O-CB 3.31Å; V95-A157 WeakPolarHBondContact O-CB 3.42Å; M148-A157 HydrophobicContact CE-CB 4.15Å; V153-A157 HydrophobicContact CG1-CB 3.51Å; S154-A157 VanDerWaalsContact O-CB 3.25Å; S154-A157 WeakPolarHBondContact O-CB 3.43Å; S154-A157 PolarHBondContact O-N 3.23Å; P155-A157 PolarHBondContact O-N 3.44Å; P155-A157 VanDerWaalsContact O-N 3.08Å; A157-P189 WeakPolarHBondContact O-CG 3.45Å
158F86.7Confident88Confident138 Ų13856.2 Ų56.261%0.60532%0.315SS*.Hα-helixtrans-81.2-20.5179.4-59.8-81.8000113.1M148 P155 S156M148-F158 HydrophobicContact CE-CD1 3.46Å; M148-F158 VanDerWaalsContact CE-CD1 3.46Å; M148-F158 HydrophobicContact CE-CE1 3.54Å; M148-F158 HydrophobicContact CE-CG 4.02Å; M148-F158 HydrophobicContact CE-CZ 4.16Å; P155-F158 PolarHBondContact O-N 2.83Å; S156-F158 VanDerWaalsContact C-N 3.27Å; S156-F158 PolarHBondContact O-N 3.37Å
159E88.6Confident88.4Confident168 Ų16855.3 Ų55.379%0.78531%0.311SS*.Hα-helixtrans-88.7-19.8175.2-63.4174.817500112.2S156S156-E159 PolarHBondContact O-N 2.97Å
160T91.4Very high88.8Confident16 Ų1648 Ų4810%0.09828%0.277CS..  trans-75.5131.1-179.1-59.20000110.4Y94 V95 K104 S156 I162 P189Y94-T160 HydrophobicContact CE1-CG2 4.15Å; V95-T160 HydrophobicContact CG2-CG2 4.09Å; K104-T160 WeakPolarHBondContact CD-OG1 3.45Å; S156-T160 PolarHBondContact O-N 3.14Å; S156-T160 VanDerWaalsContact O-N 3.1Å; S156-T160 PolarHBondContact O-OG1 3.05Å; T160-I162 HydrophobicContact CG2-CD1 3.79Å; T160-I162 HydrophobicContact CG2-CG1 3.74Å; T160-P189 WeakPolarHBondContact O-CB 3.14Å
161S95.4Very high89.3Confident53 Ų5345.2 Ų45.237%0.37125%0.254SS..  trans-140.3118.9169.6-1790000109.2P189 K191S161-P189 WeakPolarHBondContact CA-O 3.34Å; S161-K191 WeakPolarHBondContact OG-CE 3.24Å
162I97.2Very high90.6Very high0 Ų040.8 Ų40.80%023%0.228CC..EExtended strand (participates in β ladder)trans-124.3119.1-173.3-54.1173.5000108.8Y94 V95 L106 H107 V109 T160 V164 P189 L190 K191Y94-I162 HydrophobicContact CD1-CD1 3.64Å; Y94-I162 HydrophobicContact CE1-CD1 3.74Å; V95-I162 HydrophobicContact CG2-CD1 3.98Å; L106-I162 HydrophobicContact CD2-CD1 4.18Å; L106-I162 HydrophobicContact CG-CD1 4.34Å; L106-I162 HydrophobicContact CG-CG2 4.28Å; H107-I162 CarbonylContact O-C 3.57Å; H107-I162 WeakPolarHBondContact O-CA 3.35Å; V109-I162 HydrophobicContact CB-CG2 4.41Å; V109-I162 HydrophobicContact CG2-CG2 3.63Å; T160-I162 HydrophobicContact CG2-CD1 3.79Å; T160-I162 HydrophobicContact CG2-CG1 3.74Å; I162-V164 HydrophobicContact CG2-CG2 4.21Å; I162-V164 PolarHBondContact O-N 2.72Å; I162-P189 PolarHBondContact N-O 2.83Å; I162-L190 HydrophobicContact CB-CD2 4.28Å; I162-L190 HydrophobicContact CD1-CD2 4.11Å; I162-K191 WeakPolarHBondContact O-CA 3.14Å; I162-K191 WeakPolarHBondContact O-CB 3.45Å; I162-K191 PolarHBondContact O-N 3.25Å
163D97.1Very high91.2Very high32 Ų3239.7 Ų39.717%0.17121%0.212CC..EExtended strand (participates in β ladder)trans-79.1115171.5-66-33.4000110.1H107 V108 V109 K191 R193H107-D163 PolarHBondContact O-N 3.16Å; V108-D163 CarbonylContact C-O 3.54Å; V108-D163 WeakPolarHBondContact CA-O 3.32Å; V109-D163 PolarHBondContact N-O 3.47Å; D163-K191 WeakPolarHBondContact CA-O 3.41Å; D163-K191 VanDerWaalsContact OD1-CB 3.27Å; D163-K191 WeakPolarHBondContact OD1-CB 3.33Å; D163-R193 IonicContact OD1-CZ 3.49Å; D163-R193 IonicContact OD1-NE 3.56Å; D163-R193 PolarHBondContact OD1-NE 3.38Å; D163-R193 IonicContact OD1-NH1 3.46Å; D163-R193 PolarHBondContact OD1-NH1 2.93Å; D163-R193 IonicContact OD1-NH2 2.81Å; D163-R193 PolarHBondContact OD1-NH2 3.25Å; D163-R193 IonicContact OD2-CZ 3.38Å; D163-R193 IonicContact OD2-NH1 3.74Å; D163-R193 PolarHBondContact OD2-NH1 2.73Å; D163-R193 IonicContact OD2-NH2 3.86Å; D163-R193 PolarHBondContact OD2-NH2 2.69Å
164V97.3Very high91.8Very high0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-103.8101178.6-170.50000108.5V109 L111 L137 I162 L190 K191 R193V109-V164 HydrophobicContact CB-CG1 4.25Å; V109-V164 HydrophobicContact CB-CG2 4.3Å; V109-V164 HydrophobicContact CG1-CG1 4.19Å; V109-V164 CarbonylContact O-C 3.58Å; V109-V164 WeakPolarHBondContact O-CA 3.48Å; L111-V164 HydrophobicContact CD1-CG1 4.18Å; L137-V164 HydrophobicContact CD1-CG1 3.97Å; L137-V164 HydrophobicContact CD2-CB 4.19Å; L137-V164 HydrophobicContact CD2-CG1 3.56Å; L137-V164 HydrophobicContact CG-CG1 4.43Å; I162-V164 HydrophobicContact CG2-CG2 4.21Å; I162-V164 PolarHBondContact O-N 2.72Å; V164-L190 HydrophobicContact CG2-CD2 4.37Å; V164-K191 PolarHBondContact N-O 2.98Å; V164-R193 PolarHBondContact O-N 2.95Å
165L97.4Very high92.4Very high41 Ų4138.3 Ų38.322%0.21520%0.2CC..EExtended strand (participates in β ladder)trans-83.7128.9178.9-48.7-177.2000109.9V108 V109 D110 L111 T112 R193 V195V108-L165 HydrophobicContact CG1-CD1 4.28Å; V108-L165 HydrophobicContact CG1-CG 4.46Å; V109-L165 PolarHBondContact O-N 2.62Å; D110-L165 HydrophobicContact CB-CD1 4.4Å; L111-L165 WeakPolarHBondContact CB-O 3.36Å; L111-L165 PolarHBondContact N-O 3.41Å; T112-L165 HydrophobicContact CG2-CB 3.99Å; L165-R193 WeakPolarHBondContact CA-O 3.4Å; L165-R193 HydrophobicContact CD2-CB 3.9Å; L165-V195 HydrophobicContact CB-CG2 4.11Å
166L95.4Very high92.9Very high7 Ų738.7 Ų38.74%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-148.1160.3176.671161.9000112.4L111 L137 G168 V192 R193 F194 V195L111-L166 HydrophobicContact CB-CB 4.48Å; L137-L166 HydrophobicContact CD2-CD1 3.88Å; L137-L166 HydrophobicContact CD2-CD2 3.75Å; L137-L166 HydrophobicContact CD2-CG 4.38Å; L166-G168 PolarHBondContact O-N 3.2Å; L166-V192 HydrophobicContact CD2-CG1 3.51Å; L166-R193 PolarHBondContact N-O 3.09Å; L166-R193 VanDerWaalsContact N-O 3.15Å; L166-F194 HydrophobicContact CD1-CD1 4.33Å; L166-F194 HydrophobicContact CD1-CE1 3.91Å; L166-F194 HydrophobicContact CD2-CD1 3.53Å; L166-F194 HydrophobicContact CD2-CE1 3.71Å; L166-F194 HydrophobicContact CG-CD1 3.8Å; L166-F194 HydrophobicContact CG-CE1 3.9Å; L166-F194 WeakPolarHBondContact O-CA 3.29Å; L166-V195 PolarHBondContact O-N 3.3Å
167N96.5Very high93.3Very high35 Ų3540.5 Ų40.519%0.18720%0.201CC..EExtended strand (participates in β ladder)trans-82.6102.7162.1-59.3-35.4000107T112 R130 S196T112-N167 PolarHBondContact O-ND2 2.92Å; R130-N167 HydrophobicContact CG-CB 4.32Å; R130-N167 WeakPolarHBondContact CG-O 3.39Å; N167-S196 WeakPolarHBondContact OD1-CB 3.4Å
168G95.7Very high93.9Very high0 Ų040.5 Ų40.50%020%0.201CC..EExtended strand (participates in β ladder)trans-79140.4-177.200000111.9L166 S196 R198L166-G168 PolarHBondContact O-N 3.2Å; G168-S196 PolarHBondContact N-O 3.14Å; G168-R198 PolarHBondContact O-N 2.75Å
169F95.9Very high94.3Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-129.1109.9172.7-175-176.6000109.4R130 W131 T134 T171 R198 D200 D486 T490R130-F169 HydrophobicContact CB-CB 4.32Å; R130-F169 HydrophobicContact CB-CD1 4.43Å; R130-F169 HydrophobicContact CG-CB 3.86Å; W131-F169 HydrophobicContact CB-CB 4.4Å; W131-F169 HydrophobicContact CB-CD1 3.57Å; W131-F169 HydrophobicContact CB-CE1 4.03Å; W131-F169 HydrophobicContact CB-CG 4.14Å; W131-F169 HydrophobicContact CG-CD1 4.35Å; T134-F169 PolarHBondContact OG1-N 3.46Å; F169-T171 HydrophobicContact CD2-CG2 4.18Å; F169-T171 HydrophobicContact CE2-CG2 3.63Å; F169-T171 HydrophobicContact CZ-CG2 4.04Å; F169-R198 WeakPolarHBondContact CA-O 3.29Å; F169-R198 HydrophobicContact CB-CB 4.46Å; F169-R198 HydrophobicContact CD2-CB 4.06Å; F169-R198 HydrophobicContact CD2-CG 3.83Å; F169-R198 HydrophobicContact CE2-CG 4.03Å; F169-R198 HydrophobicContact CG-CB 4.37Å; F169-R198 HydrophobicContact CG-CG 4.38Å; F169-D200 HydrophobicContact CE2-CB 3.59Å; F169-D200 HydrophobicContact CZ-CB 4.18Å; F169-D486 HydrophobicContact CD1-CB 4.23Å; F169-D486 HydrophobicContact CE1-CB 3.69Å; F169-D486 HydrophobicContact CZ-CB 4.37Å; F169-T490 HydrophobicContact CE1-CG2 3.62Å; F169-T490 HydrophobicContact CZ-CG2 3.54Å
170V95.8Very high94.6Very high0 Ų029.9 Ų29.90%015%0.154CC..EExtended strand (participates in β ladder)trans-109.7120.2-176.1-169.50000110.3S174 V178 F194 F197 R198 A199 D200 L202V170-S174 WeakPolarHBondContact CA-OG 3.45Å; V170-V178 HydrophobicContact CG1-CB 4.44Å; V170-V178 HydrophobicContact CG1-CG2 4.3Å; V170-V178 HydrophobicContact CG2-CG1 3.98Å; V170-V178 HydrophobicContact CG2-CG2 4.21Å; V170-F194 HydrophobicContact CG2-CE2 3.67Å; V170-F194 HydrophobicContact CG2-CZ 4.36Å; V170-F197 HydrophobicContact CB-CE1 4.4Å; V170-F197 HydrophobicContact CB-CZ 4.04Å; V170-F197 HydrophobicContact CG2-CE1 4.26Å; V170-F197 HydrophobicContact CG2-CE2 4.01Å; V170-F197 HydrophobicContact CG2-CZ 3.63Å; V170-R198 PolarHBondContact N-O 3.01Å; V170-A199 WeakPolarHBondContact O-CA 3.36Å; V170-D200 PolarHBondContact O-N 2.94Å; V170-L202 HydrophobicContact CB-CD1 4.38Å; V170-L202 HydrophobicContact CG1-CD1 4.08Å; V170-L202 HydrophobicContact CG1-CD2 4.32Å
171T93.1Very high94.7Very high0 Ų029.3 Ų29.30%015%0.151CC..EExtended strand (participates in β ladder)trans-112.2168.7169.676.60000112.2W131 F169 R173 S174 Y175 D200 L202 T490 E493W131-T171 VanDerWaalsContact CD1-CG2 3.49Å; W131-T171 PolarHBondContact NE1-OG1 3.48Å; W131-T171 VanDerWaalsContact NE1-OG1 3.09Å; F169-T171 HydrophobicContact CD2-CG2 4.18Å; F169-T171 HydrophobicContact CE2-CG2 3.63Å; F169-T171 HydrophobicContact CZ-CG2 4.04Å; T171-R173 PolarHBondContact O-N 3.35Å; T171-R173 VanDerWaalsContact O-N 3.09Å; T171-R173 PolarHBondContact OG1-N 3.35Å; T171-S174 PolarHBondContact N-OG 3Å; T171-S174 PolarHBondContact O-N 3.28Å; T171-S174 PolarHBondContact O-OG 3.46Å; T171-Y175 PolarHBondContact O-N 3.33Å; T171-D200 VanDerWaalsContact CA-O 3.25Å; T171-D200 WeakPolarHBondContact CA-O 3.33Å; T171-D200 HydrophobicContact CG2-CB 4.26Å; T171-L202 VanDerWaalsContact C-CD2 3.47Å; T171-T490 HydrophobicContact CG2-CG2 3.99Å; T171-E493 WeakPolarHBondContact CB-OE2 3.35Å; T171-E493 VanDerWaalsContact CG2-OE2 3.24Å; T171-E493 WeakPolarHBondContact CG2-OE2 3.3Å; T171-E493 PolarHBondContact OG1-OE1 3.02Å; T171-E493 PolarHBondContact OG1-OE2 3.48Å
172G89.3Confident94.7Very high32 Ų3227.2 Ų27.233%0.3314%0.135SC..THydrogen-bonded Turntrans-53-28.3174.500000114.4
173R86.6Confident94.6Very high140 Ų14031.6 Ų31.653%0.52816%0.158SC..THydrogen-bonded Turntrans-79.8-35.7176.5-62.8-163.9-171.3155.1-5.6113.5T171 E493 L496T171-R173 PolarHBondContact O-N 3.35Å; T171-R173 VanDerWaalsContact O-N 3.09Å; T171-R173 PolarHBondContact OG1-N 3.35Å; R173-E493 WeakPolarHBondContact CB-OE1 3.23Å; R173-E493 WeakPolarHBondContact CD-OE1 3.32Å; R173-E493 HydrophobicContact CG-CG 4.48Å; R173-E493 WeakPolarHBondContact CG-OE1 3.47Å; R173-E493 IonicContact CZ-OE1 3.75Å; R173-E493 IonicContact NE-OE1 3.78Å; R173-E493 PolarHBondContact NE-OE1 3.43Å; R173-E493 IonicContact NH1-OE1 2.87Å; R173-L496 VanDerWaalsContact NH2-CD1 3.35Å
174S92.3Very high94.3Very high1 Ų132.5 Ų32.51%0.00716%0.163CC..THydrogen-bonded Turntrans-85.1-15.1179.665.80000113.7V170 T171 E176 L177 V178V170-S174 WeakPolarHBondContact CA-OG 3.45Å; T171-S174 PolarHBondContact N-OG 3Å; T171-S174 PolarHBondContact O-N 3.28Å; T171-S174 PolarHBondContact O-OG 3.46Å; S174-E176 PolarHBondContact O-N 2.88Å; S174-L177 PolarHBondContact O-N 2.81Å; S174-V178 VanDerWaalsContact O-CG2 3.31Å; S174-V178 WeakPolarHBondContact O-CG2 3.42Å; S174-V178 PolarHBondContact O-N 3.33Å
175Y95.1Very high93.9Very high25 Ų2533.2 Ų33.210%0.09817%0.166CC..Hα-helixtrans-49.6-50.1-172.7164.4-98.7000113.4T171 L177 V178 A179 L202 Q206 Y209 V210T171-Y175 PolarHBondContact O-N 3.33Å; Y175-L177 PolarHBondContact O-N 3.32Å; Y175-V178 PolarHBondContact O-N 2.93Å; Y175-A179 HydrophobicContact CE2-CB 4.31Å; Y175-A179 VanDerWaalsContact O-CB 3.26Å; Y175-A179 WeakPolarHBondContact O-CB 3.27Å; Y175-A179 PolarHBondContact O-N 3.09Å; Y175-L202 HydrophobicContact CD2-CD2 4.46Å; Y175-Q206 HydrophobicContact CD1-CG 4.15Å; Y175-Q206 HydrophobicContact CD2-CB 3.7Å; Y175-Q206 HydrophobicContact CD2-CG 4.07Å; Y175-Q206 HydrophobicContact CE1-CG 3.95Å; Y175-Q206 HydrophobicContact CE2-CB 3.54Å; Y175-Q206 HydrophobicContact CE2-CG 3.83Å; Y175-Q206 HydrophobicContact CG-CB 4.27Å; Y175-Q206 HydrophobicContact CG-CG 4.21Å; Y175-Y209 HydrophobicContact CE2-CD1 4.31Å; Y175-Y209 WeakPolarHBondContact OH-CD1 3.13Å; Y175-V210 HydrophobicContact CD2-CB 4.32Å; Y175-V210 HydrophobicContact CE2-CB 4.18Å
176E94.6Very high93.4Very high108 Ų10841.3 Ų41.351%0.50519%0.194SC..Hα-helixtrans-62.4-45-176.7-68.7-62.8156.100111.8S174 A179 Q180S174-E176 PolarHBondContact O-N 2.88Å; E176-A179 PolarHBondContact O-N 3.39Å; E176-Q180 VanDerWaalsContact O-CB 3.31Å; E176-Q180 WeakPolarHBondContact O-CB 3.44Å; E176-Q180 WeakPolarHBondContact O-CG 3.4Å; E176-Q180 PolarHBondContact O-N 3.12Å
177L93.6Very high93.2Very high54 Ų5448.5 Ų48.528%0.28322%0.222SC..Hα-helixtrans-63.4-44.1178.3-68173.2000111.4Q135 S174 Y175 A181Q135-L177 HydrophobicContact CG-CD1 4.06Å; S174-L177 PolarHBondContact O-N 2.81Å; Y175-L177 PolarHBondContact O-N 3.32Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.34Å
178V96.6Very high93Very high0 Ų046.9 Ų46.90%021%0.213CC..Hα-helixtrans-65.6-47.9179.3175.70000110.9T134 T138 V170 S174 Y175 Q180 A181 F182 F194 V210T134-V178 HydrophobicContact CG2-CG2 4.08Å; T138-V178 HydrophobicContact CG2-CB 4.4Å; T138-V178 HydrophobicContact CG2-CG2 3.98Å; V170-V178 HydrophobicContact CG1-CB 4.44Å; V170-V178 HydrophobicContact CG1-CG2 4.3Å; V170-V178 HydrophobicContact CG2-CG1 3.98Å; V170-V178 HydrophobicContact CG2-CG2 4.21Å; S174-V178 VanDerWaalsContact O-CG2 3.31Å; S174-V178 WeakPolarHBondContact O-CG2 3.42Å; S174-V178 PolarHBondContact O-N 3.33Å; Y175-V178 PolarHBondContact O-N 2.93Å; V178-Q180 PolarHBondContact O-N 3.41Å; V178-A181 PolarHBondContact O-N 3.37Å; V178-F182 HydrophobicContact CG1-CD2 3.77Å; V178-F182 HydrophobicContact CG1-CE2 3.38Å; V178-F182 HydrophobicContact CG1-CZ 4.06Å; V178-F182 WeakPolarHBondContact O-CD2 3.4Å; V178-F182 WeakPolarHBondContact O-CG 3.43Å; V178-F182 PolarHBondContact O-N 3.11Å; V178-F194 HydrophobicContact CG1-CE2 4.26Å; V178-F194 HydrophobicContact CG1-CZ 4.12Å; V178-V210 HydrophobicContact CG1-CG2 3.81Å
179A96.4Very high93Very high4 Ų447.1 Ų47.13%0.03322%0.215CC..Hα-helixtrans-61.9-43.6179.300000111.5Y175 E176 F182 L183 Y209 L213Y175-A179 HydrophobicContact CE2-CB 4.31Å; Y175-A179 VanDerWaalsContact O-CB 3.26Å; Y175-A179 WeakPolarHBondContact O-CB 3.27Å; Y175-A179 PolarHBondContact O-N 3.09Å; E176-A179 PolarHBondContact O-N 3.39Å; A179-F182 PolarHBondContact O-N 3.08Å; A179-L183 VanDerWaalsContact O-CG 3.32Å; A179-L183 WeakPolarHBondContact O-CG 3.43Å; A179-L183 PolarHBondContact O-N 2.94Å; A179-Y209 HydrophobicContact CB-CE1 4.37Å; A179-L213 HydrophobicContact CB-CD1 4.21Å
180Q93.6Very high93Very high80 Ų8047.1 Ų47.137%0.37422%0.215SC..Hα-helixtrans-62.9-45.7175.4-73.4174.217.900112E176 V178 F182 L183 L184E176-Q180 VanDerWaalsContact O-CB 3.31Å; E176-Q180 WeakPolarHBondContact O-CB 3.44Å; E176-Q180 WeakPolarHBondContact O-CG 3.4Å; E176-Q180 PolarHBondContact O-N 3.12Å; V178-Q180 PolarHBondContact O-N 3.41Å; Q180-F182 VanDerWaalsContact C-N 3.27Å; Q180-F182 PolarHBondContact O-N 3.11Å; Q180-L183 PolarHBondContact O-N 2.81Å; Q180-L184 WeakPolarHBondContact O-CB 3.3Å; Q180-L184 VanDerWaalsContact O-CG 3.32Å; Q180-L184 WeakPolarHBondContact O-CG 3.3Å; Q180-L184 PolarHBondContact O-N 3.38Å
181A94.7Very high92.9Very high4 Ų448.7 Ų48.73%0.03322%0.222CC..Hα-helixtrans-57.7-41.7176.100000111.4T138 C141 L177 V178 L184 L185T138-A181 HydrophobicContact CG2-CB 3.88Å; C141-A181 HydrophobicContact CB-CB 4.27Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.34Å; V178-A181 PolarHBondContact O-N 3.37Å; A181-L184 PolarHBondContact O-N 2.93Å; A181-L185 PolarHBondContact O-N 3.42Å; A181-L185 VanDerWaalsContact O-N 3.12Å
182F95.3Very high93Very high9 Ų948.9 Ų48.94%0.03922%0.222CC..Hα-helixtrans-67.7-40176.2-69-34.8000114V178 A179 Q180 L184 L185 V192 F194 V210 L213 A214V178-F182 HydrophobicContact CG1-CD2 3.77Å; V178-F182 HydrophobicContact CG1-CE2 3.38Å; V178-F182 HydrophobicContact CG1-CZ 4.06Å; V178-F182 WeakPolarHBondContact O-CD2 3.4Å; V178-F182 WeakPolarHBondContact O-CG 3.43Å; V178-F182 PolarHBondContact O-N 3.11Å; A179-F182 PolarHBondContact O-N 3.08Å; Q180-F182 VanDerWaalsContact C-N 3.27Å; Q180-F182 PolarHBondContact O-N 3.11Å; F182-L184 PolarHBondContact O-N 2.91Å; F182-L185 HydrophobicContact CB-CD1 4.21Å; F182-L185 HydrophobicContact CD1-CD1 3.59Å; F182-L185 HydrophobicContact CD1-CG 4.19Å; F182-L185 HydrophobicContact CE1-CD1 4.43Å; F182-L185 HydrophobicContact CG-CD1 4.32Å; F182-L185 VanDerWaalsContact O-CB 3.3Å; F182-L185 WeakPolarHBondContact O-CB 3.33Å; F182-L185 WeakPolarHBondContact O-CG 3.5Å; F182-L185 PolarHBondContact O-N 2.91Å; F182-V192 HydrophobicContact CE1-CB 4.4Å; F182-V192 HydrophobicContact CE1-CG1 4.2Å; F182-F194 HydrophobicContact CE1-CE1 4.37Å; F182-F194 HydrophobicContact CE2-CE2 4.11Å; F182-F194 HydrophobicContact CE2-CZ 4.32Å; F182-F194 HydrophobicContact CZ-CD1 4.08Å; F182-F194 AromaticContact CZ-CD2 3.91Å; F182-F194 HydrophobicContact CZ-CD2 3.91Å; F182-F194 AromaticContact CZ-CE1 3.88Å; F182-F194 HydrophobicContact CZ-CE1 3.88Å; F182-F194 AromaticContact CZ-CE2 3.69Å; F182-F194 HydrophobicContact CZ-CE2 3.69Å; F182-F194 HydrophobicContact CZ-CG 4.09Å; F182-F194 AromaticContact CZ-CZ 3.68Å; F182-F194 HydrophobicContact CZ-CZ 3.68Å; F182-V210 HydrophobicContact CD2-CG2 4.05Å; F182-V210 HydrophobicContact CE2-CG2 4.04Å; F182-L213 HydrophobicContact CB-CB 3.74Å; F182-L213 HydrophobicContact CB-CD1 4.46Å; F182-L213 HydrophobicContact CD2-CB 4.1Å; F182-L213 HydrophobicContact CG-CB 4.3Å; F182-A214 HydrophobicContact CD2-CB 4.17Å; F182-A214 HydrophobicContact CE2-CB 3.54Å; F182-A214 HydrophobicContact CZ-CB 3.75Å
183L94Very high93.3Very high91 Ų9151.4 Ų51.448%0.47622%0.222SC..Hα-helixtrans-61.6-34.5174.4-72.3168.2000112.1A179 Q180 L213A179-L183 VanDerWaalsContact O-CG 3.32Å; A179-L183 WeakPolarHBondContact O-CG 3.43Å; A179-L183 PolarHBondContact O-N 2.94Å; Q180-L183 PolarHBondContact O-N 2.81Å; L183-L213 HydrophobicContact CD2-CD1 4.19Å; L183-L213 HydrophobicContact CD2-CD2 3.76Å; L183-L213 HydrophobicContact CG-CD1 4.02Å; L183-L213 HydrophobicContact CG-CD2 4.38Å
184L90.4Very high93.7Very high52 Ų5244.7 Ų44.727%0.27220%0.197SC..THydrogen-bonded Turntrans-87.5-2.4-179.5-63.1174.6000113.8Y142 Q180 A181 F182 R186 Y187 C188Y142-L184 HydrophobicContact CD2-CD1 4.3Å; Q180-L184 WeakPolarHBondContact O-CB 3.3Å; Q180-L184 VanDerWaalsContact O-CG 3.32Å; Q180-L184 WeakPolarHBondContact O-CG 3.3Å; Q180-L184 PolarHBondContact O-N 3.38Å; A181-L184 PolarHBondContact O-N 2.93Å; F182-L184 PolarHBondContact O-N 2.91Å; L184-R186 PolarHBondContact O-N 2.87Å; L184-Y187 PolarHBondContact O-N 3.08Å; L184-C188 PolarHBondContact O-N 3.09Å
185L89.8Confident93.9Very high14 Ų1446.3 Ų46.37%0.07321%0.206CC..THydrogen-bonded Turntrans-51.4-33.4-175.7-90.5170.3000114A181 F182 Y187 K191 V192A181-L185 PolarHBondContact O-N 3.42Å; A181-L185 VanDerWaalsContact O-N 3.12Å; F182-L185 HydrophobicContact CB-CD1 4.21Å; F182-L185 HydrophobicContact CD1-CD1 3.59Å; F182-L185 HydrophobicContact CD1-CG 4.19Å; F182-L185 HydrophobicContact CE1-CD1 4.43Å; F182-L185 HydrophobicContact CG-CD1 4.32Å; F182-L185 VanDerWaalsContact O-CB 3.3Å; F182-L185 WeakPolarHBondContact O-CB 3.33Å; F182-L185 WeakPolarHBondContact O-CG 3.5Å; F182-L185 PolarHBondContact O-N 2.91Å; L185-Y187 VanDerWaalsContact C-N 3.28Å; L185-Y187 PolarHBondContact O-N 3.03Å; L185-K191 HydrophobicContact CD2-CB 4.34Å; L185-K191 WeakPolarHBondContact O-CD 3.49Å; L185-K191 WeakPolarHBondContact O-CE 3.2Å; L185-K191 PolarHBondContact O-NZ 3.28Å; L185-V192 HydrophobicContact CD2-CB 4.43Å; L185-V192 WeakPolarHBondContact CD2-O 3.46Å
186R87.6Confident94Very high211 Ų21145.3 Ų45.380%0.79620%0.203SC*.THydrogen-bonded Turntrans-66.3-33.1-179.6-66.8-17472.7178.31.9112L184 K191L184-R186 PolarHBondContact O-N 2.87Å; R186-K191 PolarHBondContact O-NZ 3.28Å; R186-K191 VanDerWaalsContact O-NZ 3.08Å
187Y89.6Confident94.2Very high159 Ų15940.2 Ų40.262%0.62418%0.179SC*.THydrogen-bonded Turntrans-100-29-174.1-50.8-70.7000113M145 L184 L185M145-Y187 VanDerWaalsContact SD-C 3.53Å; L184-Y187 PolarHBondContact O-N 3.08Å; L185-Y187 VanDerWaalsContact C-N 3.28Å; L185-Y187 PolarHBondContact O-N 3.03Å
188C93.2Very high94.3Very high1 Ų138.6 Ų38.61%0.00717%0.17CC..  trans-72.4128.8179.5-170.10000111.4M145 L184 L190 K191M145-C188 HydrophobicContact CG-CB 3.99Å; M145-C188 WeakPolarHBondContact SD-CA 3.41Å; M145-C188 HydrophobicContact SD-CB 3.85Å; M145-C188 PolarHBondContact SD-N 2.94Å; M145-C188 VanDerWaalsContact SD-N 3.44Å; L184-C188 PolarHBondContact O-N 3.09Å; C188-L190 PolarHBondContact O-N 3.47Å; C188-K191 VanDerWaalsContact O-CD 3.24Å; C188-K191 WeakPolarHBondContact O-CD 3.42Å; C188-K191 WeakPolarHBondContact O-CE 3.28Å; C188-K191 PolarHBondContact O-NZ 3.12Å
189P94.9Very high94.3Very high4 Ų438.6 Ų38.63%0.02617%0.17CC..SBendtrans-59.7-31.6173.1-30.740.4000113.3V95 M148 A157 T160 S161 I162 K191V95-P189 HydrophobicContact CB-CB 4.46Å; V95-P189 HydrophobicContact CG1-CB 3.55Å; V95-P189 HydrophobicContact CG1-CG 3.59Å; V95-P189 HydrophobicContact CG2-CB 4Å; M148-P189 HydrophobicContact CE-CG 3.72Å; M148-P189 WeakPolarHBondContact SD-CD 3.3Å; M148-P189 HydrophobicContact SD-CG 3.37Å; M148-P189 WeakPolarHBondContact SD-CG 3.41Å; A157-P189 WeakPolarHBondContact O-CG 3.45Å; T160-P189 WeakPolarHBondContact O-CB 3.14Å; S161-P189 WeakPolarHBondContact CA-O 3.34Å; I162-P189 PolarHBondContact N-O 2.83Å; P189-K191 PolarHBondContact O-N 3.26Å
190L95.9Very high94Very high1 Ų138.5 Ų38.51%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-85101.3176-58.9178.1000109.7V95 M140 I162 V164 C188 V192V95-L190 HydrophobicContact CG2-CD2 3.75Å; V95-L190 HydrophobicContact CG2-CG 4.18Å; M140-L190 HydrophobicContact CE-CD1 4.26Å; I162-L190 HydrophobicContact CB-CD2 4.28Å; I162-L190 HydrophobicContact CD1-CD2 4.11Å; V164-L190 HydrophobicContact CG2-CD2 4.37Å; C188-L190 PolarHBondContact O-N 3.47Å; L190-V192 PolarHBondContact O-N 3.1Å
191K94.8Very high93.8Very high33 Ų3336.2 Ų36.214%0.14316%0.161CC..EExtended strand (participates in β ladder)trans-89.288.3-179.3-49.5-59.4-176-168.80110.1S161 I162 D163 V164 L185 R186 C188 P189 R193S161-K191 WeakPolarHBondContact OG-CE 3.24Å; I162-K191 WeakPolarHBondContact O-CA 3.14Å; I162-K191 WeakPolarHBondContact O-CB 3.45Å; I162-K191 PolarHBondContact O-N 3.25Å; D163-K191 WeakPolarHBondContact CA-O 3.41Å; D163-K191 VanDerWaalsContact OD1-CB 3.27Å; D163-K191 WeakPolarHBondContact OD1-CB 3.33Å; V164-K191 PolarHBondContact N-O 2.98Å; L185-K191 HydrophobicContact CD2-CB 4.34Å; L185-K191 WeakPolarHBondContact O-CD 3.49Å; L185-K191 WeakPolarHBondContact O-CE 3.2Å; L185-K191 PolarHBondContact O-NZ 3.28Å; R186-K191 PolarHBondContact O-NZ 3.28Å; R186-K191 VanDerWaalsContact O-NZ 3.08Å; C188-K191 VanDerWaalsContact O-CD 3.24Å; C188-K191 WeakPolarHBondContact O-CD 3.42Å; C188-K191 WeakPolarHBondContact O-CE 3.28Å; C188-K191 PolarHBondContact O-NZ 3.12Å; P189-K191 PolarHBondContact O-N 3.26Å; K191-R193 PolarHBondContact O-N 3.04Å
192V94.7Very high93.7Very high3 Ų336.1 Ų36.12%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-62.7126.8175.5-173.90000110.5L137 C141 L166 F182 L185 L190 F194L137-V192 HydrophobicContact CD2-CG1 3.99Å; L137-V192 HydrophobicContact CD2-CG2 3.96Å; L137-V192 HydrophobicContact CG-CG2 3.93Å; C141-V192 WeakPolarHBondContact SG-CG2 3.43Å; L166-V192 HydrophobicContact CD2-CG1 3.51Å; F182-V192 HydrophobicContact CE1-CB 4.4Å; F182-V192 HydrophobicContact CE1-CG1 4.2Å; L185-V192 HydrophobicContact CD2-CB 4.43Å; L185-V192 WeakPolarHBondContact CD2-O 3.46Å; L190-V192 PolarHBondContact O-N 3.1Å; V192-F194 HydrophobicContact CG1-CD1 4.01Å; V192-F194 HydrophobicContact CG1-CE1 3.59Å
193R95.3Very high93.6Very high85 Ų8538.1 Ų38.132%0.32118%0.178SC..EExtended strand (participates in β ladder)trans-134.8122.1176.6-62.1-170.1-177.3152.44.7111.1D163 V164 L165 L166 K191D163-R193 IonicContact OD1-CZ 3.49Å; D163-R193 IonicContact OD1-NE 3.56Å; D163-R193 PolarHBondContact OD1-NE 3.38Å; D163-R193 IonicContact OD1-NH1 3.46Å; D163-R193 PolarHBondContact OD1-NH1 2.93Å; D163-R193 IonicContact OD1-NH2 2.81Å; D163-R193 PolarHBondContact OD1-NH2 3.25Å; D163-R193 IonicContact OD2-CZ 3.38Å; D163-R193 IonicContact OD2-NH1 3.74Å; D163-R193 PolarHBondContact OD2-NH1 2.73Å; D163-R193 IonicContact OD2-NH2 3.86Å; D163-R193 PolarHBondContact OD2-NH2 2.69Å; V164-R193 PolarHBondContact O-N 2.95Å; L165-R193 WeakPolarHBondContact CA-O 3.4Å; L165-R193 HydrophobicContact CD2-CB 3.9Å; L166-R193 PolarHBondContact N-O 3.09Å; L166-R193 VanDerWaalsContact N-O 3.15Å; K191-R193 PolarHBondContact O-N 3.04Å
194F96.3Very high93.6Very high0 Ų035.6 Ų35.60%017%0.165CC..EExtended strand (participates in β ladder)trans-85.7121.2-179.9-71.45.2000110T134 L166 V170 V178 F182 V192 F197 S218T134-F194 HydrophobicContact CG2-CE1 4.4Å; T134-F194 HydrophobicContact CG2-CZ 3.78Å; L166-F194 HydrophobicContact CD1-CD1 4.33Å; L166-F194 HydrophobicContact CD1-CE1 3.91Å; L166-F194 HydrophobicContact CD2-CD1 3.53Å; L166-F194 HydrophobicContact CD2-CE1 3.71Å; L166-F194 HydrophobicContact CG-CD1 3.8Å; L166-F194 HydrophobicContact CG-CE1 3.9Å; L166-F194 WeakPolarHBondContact O-CA 3.29Å; V170-F194 HydrophobicContact CG2-CE2 3.67Å; V170-F194 HydrophobicContact CG2-CZ 4.36Å; V178-F194 HydrophobicContact CG1-CE2 4.26Å; V178-F194 HydrophobicContact CG1-CZ 4.12Å; F182-F194 HydrophobicContact CE1-CE1 4.37Å; F182-F194 HydrophobicContact CE2-CE2 4.11Å; F182-F194 HydrophobicContact CE2-CZ 4.32Å; F182-F194 HydrophobicContact CZ-CD1 4.08Å; F182-F194 AromaticContact CZ-CD2 3.91Å; F182-F194 HydrophobicContact CZ-CD2 3.91Å; F182-F194 AromaticContact CZ-CE1 3.88Å; F182-F194 HydrophobicContact CZ-CE1 3.88Å; F182-F194 AromaticContact CZ-CE2 3.69Å; F182-F194 HydrophobicContact CZ-CE2 3.69Å; F182-F194 HydrophobicContact CZ-CG 4.09Å; F182-F194 AromaticContact CZ-CZ 3.68Å; F182-F194 HydrophobicContact CZ-CZ 3.68Å; V192-F194 HydrophobicContact CG1-CD1 4.01Å; V192-F194 HydrophobicContact CG1-CE1 3.59Å; F194-F197 AromaticContact CD2-CD2 3.51Å; F194-F197 HydrophobicContact CD2-CD2 3.51Å; F194-F197 AromaticContact CD2-CE2 3.9Å; F194-F197 HydrophobicContact CD2-CE2 3.9Å; F194-F197 HydrophobicContact CD2-CG 4.28Å; F194-F197 HydrophobicContact CE2-CD2 4.12Å; F194-F197 HydrophobicContact CE2-CE2 4.05Å; F194-S218 PolarHBondContact O-OG 3.42Å
195V96.4Very high93.7Very high34 Ų3441.9 Ų41.921%0.20619%0.19CC..EExtended strand (participates in β ladder)trans-87.5-44.8172.3178.10000109.6T112 L165 L166 T220 K221T112-V195 HydrophobicContact CG2-CB 3.91Å; T112-V195 HydrophobicContact CG2-CG1 4.47Å; T112-V195 HydrophobicContact CG2-CG2 3.78Å; L165-V195 HydrophobicContact CB-CG2 4.11Å; L166-V195 PolarHBondContact O-N 3.3Å; V195-T220 HydrophobicContact CG1-CG2 4.29Å; V195-T220 WeakPolarHBondContact CG1-OG1 3.45Å; V195-T220 PolarHBondContact O-N 2.78Å; V195-T220 PolarHBondContact O-OG1 3.34Å; V195-K221 PolarHBondContact O-N 3.46Å
196S97Very high94Very high5 Ų543.7 Ų43.74%0.03520%0.198CC..EExtended strand (participates in β ladder)trans-106.6140.9161.5-178.20000110N167 G168 K221 E223N167-S196 WeakPolarHBondContact OD1-CB 3.4Å; G168-S196 PolarHBondContact N-O 3.14Å; S196-K221 CarbonylContact C-O 3.55Å; S196-K221 WeakPolarHBondContact CA-O 3.43Å; S196-E223 PolarHBondContact OG-OE2 3.1Å; S196-E223 VanDerWaalsContact OG-OE2 3.13Å
197F97.4Very high94.4Very high0 Ų033.6 Ų33.60%016%0.16CC..EExtended strand (participates in β ladder)trans-118.6110.3172.4-170.7-65.9000109V170 F194 A199 V210 L211 A214 I219 K221 L222 E223V170-F197 HydrophobicContact CB-CE1 4.4Å; V170-F197 HydrophobicContact CB-CZ 4.04Å; V170-F197 HydrophobicContact CG2-CE1 4.26Å; V170-F197 HydrophobicContact CG2-CE2 4.01Å; V170-F197 HydrophobicContact CG2-CZ 3.63Å; F194-F197 AromaticContact CD2-CD2 3.51Å; F194-F197 HydrophobicContact CD2-CD2 3.51Å; F194-F197 AromaticContact CD2-CE2 3.9Å; F194-F197 HydrophobicContact CD2-CE2 3.9Å; F194-F197 HydrophobicContact CD2-CG 4.28Å; F194-F197 HydrophobicContact CE2-CD2 4.12Å; F194-F197 HydrophobicContact CE2-CE2 4.05Å; F197-A199 HydrophobicContact CD1-CB 4.15Å; F197-A199 HydrophobicContact CE1-CB 3.63Å; F197-V210 HydrophobicContact CE2-CG1 4.2Å; F197-V210 HydrophobicContact CE2-CG2 4.47Å; F197-V210 HydrophobicContact CZ-CG1 3.61Å; F197-V210 HydrophobicContact CZ-CG2 4.48Å; F197-L211 HydrophobicContact CD1-CD2 3.84Å; F197-L211 HydrophobicContact CD2-CD2 3.75Å; F197-L211 HydrophobicContact CE1-CD2 3.99Å; F197-L211 HydrophobicContact CE2-CD2 3.92Å; F197-L211 HydrophobicContact CG-CD2 3.78Å; F197-L211 HydrophobicContact CZ-CD2 4.06Å; F197-L211 HydrophobicContact CZ-CG 4.45Å; F197-A214 HydrophobicContact CD2-CB 4.21Å; F197-A214 HydrophobicContact CE2-CB 4.16Å; F197-I219 HydrophobicContact CB-CD1 4.05Å; F197-I219 HydrophobicContact CB-CG2 4.23Å; F197-I219 HydrophobicContact CD2-CD1 4.21Å; F197-I219 HydrophobicContact CG-CD1 4.47Å; F197-K221 PolarHBondContact N-O 3.32Å; F197-L222 HydrophobicContact CB-CD1 4.11Å; F197-L222 HydrophobicContact CD1-CD1 3.9Å; F197-L222 HydrophobicContact CG-CD1 4.25Å; F197-L222 WeakPolarHBondContact O-CA 3.32Å; F197-E223 PolarHBondContact O-N 3.43Å
198R96.5Very high94.6Very high21 Ų2127.6 Ų27.68%0.07914%0.137CC..EExtended strand (participates in β ladder)trans-101.2129.2168.4-176.5171.1173.3147.30.5110.5G168 F169 V170 E223 V225 D484 D486G168-R198 PolarHBondContact O-N 2.75Å; F169-R198 WeakPolarHBondContact CA-O 3.29Å; F169-R198 HydrophobicContact CB-CB 4.46Å; F169-R198 HydrophobicContact CD2-CB 4.06Å; F169-R198 HydrophobicContact CD2-CG 3.83Å; F169-R198 HydrophobicContact CE2-CG 4.03Å; F169-R198 HydrophobicContact CG-CB 4.37Å; F169-R198 HydrophobicContact CG-CG 4.38Å; V170-R198 PolarHBondContact N-O 3.01Å; R198-E223 CarbonylContact C-O 3.59Å; R198-E223 VanDerWaalsContact CA-O 3.29Å; R198-E223 WeakPolarHBondContact CA-O 3.4Å; R198-E223 HydrophobicContact CB-CB 4.1Å; R198-E223 HydrophobicContact CG-CB 4.09Å; R198-V225 HydrophobicContact CG-CG1 4.32Å; R198-D484 IonicContact NH2-OD2 3.51Å; R198-D486 IonicContact CZ-OD2 2.85Å; R198-D486 IonicContact NE-OD2 3.2Å; R198-D486 VanDerWaalsContact NH1-CG 3.34Å; R198-D486 IonicContact NH1-OD2 3.94Å; R198-D486 PolarHBondContact NH1-OD2 3.19Å
199A95.5Very high94.7Very high0 Ų032.4 Ų32.40%016%0.156CC..EExtended strand (participates in β ladder)trans-119.1123.3-179.400000109.8V170 F197 L202 L207 E223 V224 V225V170-A199 WeakPolarHBondContact O-CA 3.36Å; F197-A199 HydrophobicContact CD1-CB 4.15Å; F197-A199 HydrophobicContact CE1-CB 3.63Å; A199-L202 HydrophobicContact CB-CD1 4.04Å; A199-L207 HydrophobicContact CB-CD1 3.6Å; A199-E223 PolarHBondContact N-O 3.34Å; A199-V224 HydrophobicContact CB-CG2 4.41Å; A199-V225 WeakPolarHBondContact O-CG2 3.49Å; A199-V225 PolarHBondContact O-N 2.93Å
200D92.1Very high94.7Very high2 Ų232.2 Ų32.21%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-135.9142.8178.3-169.9-17.9000110.2F169 V170 T171 L202 V225 N227F169-D200 HydrophobicContact CE2-CB 3.59Å; F169-D200 HydrophobicContact CZ-CB 4.18Å; V170-D200 PolarHBondContact O-N 2.94Å; T171-D200 VanDerWaalsContact CA-O 3.25Å; T171-D200 WeakPolarHBondContact CA-O 3.33Å; T171-D200 HydrophobicContact CG2-CB 4.26Å; D200-L202 PolarHBondContact O-N 2.83Å; D200-V225 HydrophobicContact CB-CG2 3.4Å; D200-V225 WeakPolarHBondContact OD2-CG2 3.3Å; D200-N227 WeakPolarHBondContact OD1-CB 3.49Å; D200-N227 PolarHBondContact OD1-ND2 2.88Å
201S89.5Confident94.7Very high31 Ų3132.1 Ų32.122%0.21716%0.155CC..SBendtrans53.230.5171.4-590000113.5N227S201-N227 VanDerWaalsContact OG-CB 3.29Å; S201-N227 WeakPolarHBondContact OG-CB 3.31Å
202L91.8Very high94.6Very high3 Ų337.5 Ų37.52%0.01617%0.174CC..  trans-96.5138.5176.7-69.3-178.3000110.6V170 T171 Y175 A199 D200 Q206 L207 V210 V228V170-L202 HydrophobicContact CB-CD1 4.38Å; V170-L202 HydrophobicContact CG1-CD1 4.08Å; V170-L202 HydrophobicContact CG1-CD2 4.32Å; T171-L202 VanDerWaalsContact C-CD2 3.47Å; Y175-L202 HydrophobicContact CD2-CD2 4.46Å; A199-L202 HydrophobicContact CB-CD1 4.04Å; D200-L202 PolarHBondContact O-N 2.83Å; L202-Q206 HydrophobicContact CD2-CB 4.35Å; L202-L207 HydrophobicContact CD1-CD1 4.38Å; L202-V210 HydrophobicContact CD1-CG1 4.41Å; L202-V228 HydrophobicContact CB-CG2 4.35Å
203A92.8Very high94.5Very high51 Ų5139.1 Ų39.142%0.42118%0.182SC..  trans-66.7149.4164.300000110.1K205 Q206 L207A203-K205 VanDerWaalsContact C-N 3.3Å; A203-K205 PolarHBondContact O-N 3.23Å; A203-Q206 HydrophobicContact CB-CG 4.28Å; A203-Q206 VanDerWaalsContact N-OE1 3.11Å; A203-Q206 WeakPolarHBondContact O-CA 3.41Å; A203-Q206 WeakPolarHBondContact O-CB 3.5Å; A203-Q206 PolarHBondContact O-N 3.21Å; A203-L207 PolarHBondContact O-N 2.93Å
204L93.2Very high94.4Very high37 Ų3735.2 Ų35.219%0.19417%0.168CC..Hα-helixtrans-53.7-44.5-178.8-70.5170.1000112.9Q206 L207 F208 P229 L230 H234L204-Q206 VanDerWaalsContact C-N 3.25Å; L204-Q206 PolarHBondContact O-N 2.79Å; L204-L207 PolarHBondContact O-N 3.29Å; L204-F208 HydrophobicContact CD2-CE2 4.45Å; L204-F208 WeakPolarHBondContact O-CD2 3.25Å; L204-F208 PolarHBondContact O-N 3.49Å; L204-P229 WeakPolarHBondContact CD2-O 3.37Å; L204-P229 HydrophobicContact CG-CG 4.28Å; L204-L230 HydrophobicContact CD2-CD1 3.98Å; L204-H234 VanDerWaalsContact CD1-CE1 3.48Å; L204-H234 WeakPolarHBondContact CD1-CE1 3.48Å; L204-H234 WeakPolarHBondContact CD1-NE2 3.3Å; L204-H234 HydrophobicContact CD2-CB 4.36Å
205K93.8Very high93.9Very high185 Ų18540.1 Ų40.180%0.80419%0.189SC*.Hα-helixtrans-58.1-39.5177.3-66.3-176.7-179.4179.10112.3A203 Y209A203-K205 VanDerWaalsContact C-N 3.3Å; A203-K205 PolarHBondContact O-N 3.23Å; K205-Y209 VanDerWaalsContact O-CB 3.23Å; K205-Y209 WeakPolarHBondContact O-CB 3.43Å; K205-Y209 PolarHBondContact O-N 3.02Å; K205-Y209 VanDerWaalsContact O-N 3.12Å
206Q95.6Very high93.4Very high51 Ų5139 Ų3924%0.23818%0.183CC..Hα-helixtrans-68.2-46.4178.2-67.3174.9-38.800110.9Y175 L202 A203 L204 F208 Y209 V210Y175-Q206 HydrophobicContact CD1-CG 4.15Å; Y175-Q206 HydrophobicContact CD2-CB 3.7Å; Y175-Q206 HydrophobicContact CD2-CG 4.07Å; Y175-Q206 HydrophobicContact CE1-CG 3.95Å; Y175-Q206 HydrophobicContact CE2-CB 3.54Å; Y175-Q206 HydrophobicContact CE2-CG 3.83Å; Y175-Q206 HydrophobicContact CG-CB 4.27Å; Y175-Q206 HydrophobicContact CG-CG 4.21Å; L202-Q206 HydrophobicContact CD2-CB 4.35Å; A203-Q206 HydrophobicContact CB-CG 4.28Å; A203-Q206 VanDerWaalsContact N-OE1 3.11Å; A203-Q206 WeakPolarHBondContact O-CA 3.41Å; A203-Q206 WeakPolarHBondContact O-CB 3.5Å; A203-Q206 PolarHBondContact O-N 3.21Å; L204-Q206 VanDerWaalsContact C-N 3.25Å; L204-Q206 PolarHBondContact O-N 2.79Å; Q206-F208 PolarHBondContact O-N 3.07Å; Q206-Y209 PolarHBondContact O-N 2.98Å; Q206-V210 WeakPolarHBondContact O-CB 3.25Å; Q206-V210 VanDerWaalsContact O-CG1 3.31Å; Q206-V210 WeakPolarHBondContact O-CG1 3.11Å; Q206-V210 PolarHBondContact O-N 3.16Å
207L95.3Very high93Very high0 Ų043.9 Ų43.90%021%0.205CC..Hα-helixtrans-54.4-54.5177.1175.868.8000111.5A199 L202 A203 L204 Y209 V210 L211 V224 V228 L230A199-L207 HydrophobicContact CB-CD1 3.6Å; L202-L207 HydrophobicContact CD1-CD1 4.38Å; A203-L207 PolarHBondContact O-N 2.93Å; L204-L207 PolarHBondContact O-N 3.29Å; L207-Y209 VanDerWaalsContact C-N 3.31Å; L207-Y209 PolarHBondContact O-N 3.47Å; L207-V210 WeakPolarHBondContact O-CG1 3.43Å; L207-V210 PolarHBondContact O-N 3.37Å; L207-L211 HydrophobicContact CD1-CD1 3.72Å; L207-L211 HydrophobicContact CD1-CG 4.16Å; L207-L211 HydrophobicContact CG-CD1 3.89Å; L207-L211 WeakPolarHBondContact O-CB 3.02Å; L207-L211 VanDerWaalsContact O-CG 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.32Å; L207-L211 PolarHBondContact O-N 2.82Å; L207-V224 HydrophobicContact CD1-CG2 4.47Å; L207-V224 HydrophobicContact CD2-CG1 4.42Å; L207-V228 HydrophobicContact CD2-CG1 4.03Å; L207-L230 HydrophobicContact CD2-CD1 4.26Å
208F94.6Very high92.6Very high33 Ų3345.3 Ų45.315%0.14522%0.215CC..Hα-helixtrans-63.4-39.3-178-82.9-106.5000112.1L204 Q206 R212 H234 V237 L238L204-F208 HydrophobicContact CD2-CE2 4.45Å; L204-F208 WeakPolarHBondContact O-CD2 3.25Å; L204-F208 PolarHBondContact O-N 3.49Å; Q206-F208 PolarHBondContact O-N 3.07Å; F208-R212 WeakPolarHBondContact O-CG 3.32Å; F208-R212 PolarHBondContact O-N 3.41Å; F208-H234 WeakPolarHBondContact CZ-O 3.07Å; F208-V237 HydrophobicContact CE1-CB 4.3Å; F208-V237 HydrophobicContact CE1-CG1 3.89Å; F208-V237 HydrophobicContact CZ-CB 4.47Å; F208-V237 HydrophobicContact CZ-CG1 4.46Å; F208-L238 HydrophobicContact CD1-CD1 4.33Å; F208-L238 HydrophobicContact CE1-CB 3.9Å; F208-L238 HydrophobicContact CE1-CD1 4.14Å; F208-L238 HydrophobicContact CZ-CB 3.81Å; F208-L238 HydrophobicContact CZ-CD1 4.45Å
209Y95.3Very high92.6Very high101 Ų10144.3 Ų44.340%0.39621%0.211SC..Hα-helixtrans-66.5-51.4179.3-176.3-110.1000111.5Y175 A179 K205 Q206 L207 L211 R212 L213Y175-Y209 HydrophobicContact CE2-CD1 4.31Å; Y175-Y209 WeakPolarHBondContact OH-CD1 3.13Å; A179-Y209 HydrophobicContact CB-CE1 4.37Å; K205-Y209 VanDerWaalsContact O-CB 3.23Å; K205-Y209 WeakPolarHBondContact O-CB 3.43Å; K205-Y209 PolarHBondContact O-N 3.02Å; K205-Y209 VanDerWaalsContact O-N 3.12Å; Q206-Y209 PolarHBondContact O-N 2.98Å; L207-Y209 VanDerWaalsContact C-N 3.31Å; L207-Y209 PolarHBondContact O-N 3.47Å; Y209-L211 PolarHBondContact O-N 3.13Å; Y209-R212 PolarHBondContact O-N 3.23Å; Y209-L213 HydrophobicContact CD1-CD1 3.89Å; Y209-L213 HydrophobicContact CE1-CD1 3.41Å; Y209-L213 VanDerWaalsContact CE1-CD1 3.41Å; Y209-L213 HydrophobicContact CE1-CG 4.33Å; Y209-L213 HydrophobicContact CE2-CD1 4.43Å; Y209-L213 WeakPolarHBondContact O-CG 3.45Å; Y209-L213 PolarHBondContact O-N 3.34Å; Y209-L213 VanDerWaalsContact O-N 3.16Å
210V95.6Very high92.7Very high0 Ų046 Ų460%022%0.222CC..Hα-helixtrans-66.9-36.4-177.274.40000112.1Y175 V178 F182 F197 L202 Q206 L207 R212 L213 A214Y175-V210 HydrophobicContact CD2-CB 4.32Å; Y175-V210 HydrophobicContact CE2-CB 4.18Å; V178-V210 HydrophobicContact CG1-CG2 3.81Å; F182-V210 HydrophobicContact CD2-CG2 4.05Å; F182-V210 HydrophobicContact CE2-CG2 4.04Å; F197-V210 HydrophobicContact CE2-CG1 4.2Å; F197-V210 HydrophobicContact CE2-CG2 4.47Å; F197-V210 HydrophobicContact CZ-CG1 3.61Å; F197-V210 HydrophobicContact CZ-CG2 4.48Å; L202-V210 HydrophobicContact CD1-CG1 4.41Å; Q206-V210 WeakPolarHBondContact O-CB 3.25Å; Q206-V210 VanDerWaalsContact O-CG1 3.31Å; Q206-V210 WeakPolarHBondContact O-CG1 3.11Å; Q206-V210 PolarHBondContact O-N 3.16Å; L207-V210 WeakPolarHBondContact O-CG1 3.43Å; L207-V210 PolarHBondContact O-N 3.37Å; V210-R212 PolarHBondContact O-N 3.12Å; V210-L213 PolarHBondContact O-N 3.13Å; V210-L213 VanDerWaalsContact O-N 3.16Å; V210-A214 WeakPolarHBondContact O-CB 3.32Å; V210-A214 PolarHBondContact O-N 3Å
211L95.1Very high93Very high0 Ų048.8 Ų48.80%023%0.234CC..Hα-helixtrans-61.7-42.9175.8-78.5173.3000111.8F197 L207 Y209 L213 A214 P216 I219 L222 L238F197-L211 HydrophobicContact CD1-CD2 3.84Å; F197-L211 HydrophobicContact CD2-CD2 3.75Å; F197-L211 HydrophobicContact CE1-CD2 3.99Å; F197-L211 HydrophobicContact CE2-CD2 3.92Å; F197-L211 HydrophobicContact CG-CD2 3.78Å; F197-L211 HydrophobicContact CZ-CD2 4.06Å; F197-L211 HydrophobicContact CZ-CG 4.45Å; L207-L211 HydrophobicContact CD1-CD1 3.72Å; L207-L211 HydrophobicContact CD1-CG 4.16Å; L207-L211 HydrophobicContact CG-CD1 3.89Å; L207-L211 WeakPolarHBondContact O-CB 3.02Å; L207-L211 VanDerWaalsContact O-CG 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.32Å; L207-L211 PolarHBondContact O-N 2.82Å; Y209-L211 PolarHBondContact O-N 3.13Å; L211-L213 VanDerWaalsContact C-N 3.27Å; L211-L213 PolarHBondContact O-N 2.78Å; L211-A214 PolarHBondContact O-N 2.93Å; L211-P216 WeakPolarHBondContact O-CD 3.38Å; L211-P216 WeakPolarHBondContact O-CG 3.49Å; L211-I219 HydrophobicContact CD2-CD1 4.34Å; L211-L222 HydrophobicContact CD1-CD1 4.49Å; L211-L222 HydrophobicContact CD2-CD1 3.84Å; L211-L238 HydrophobicContact CD1-CD1 3.79Å; L211-L238 HydrophobicContact CD1-CD2 4.41Å
212R92.5Very high93.4Very high146 Ų14647.3 Ų47.355%0.55122%0.223SC*.Hα-helixtrans-63.3-34.4175.5-73.8177.6177.1-170.71.7112.5F208 Y209 V210 V242F208-R212 WeakPolarHBondContact O-CG 3.32Å; F208-R212 PolarHBondContact O-N 3.41Å; Y209-R212 PolarHBondContact O-N 3.23Å; V210-R212 PolarHBondContact O-N 3.12Å; R212-V242 HydrophobicContact CG-CG2 4.28Å
213L93.8Very high93.6Very high37 Ų3748.1 Ų48.119%0.19423%0.227CC..Hα-helixtrans-74-29.9176.2-67-178.2000113A179 F182 L183 Y209 V210 L211 K215A179-L213 HydrophobicContact CB-CD1 4.21Å; F182-L213 HydrophobicContact CB-CB 3.74Å; F182-L213 HydrophobicContact CB-CD1 4.46Å; F182-L213 HydrophobicContact CD2-CB 4.1Å; F182-L213 HydrophobicContact CG-CB 4.3Å; L183-L213 HydrophobicContact CD2-CD1 4.19Å; L183-L213 HydrophobicContact CD2-CD2 3.76Å; L183-L213 HydrophobicContact CG-CD1 4.02Å; L183-L213 HydrophobicContact CG-CD2 4.38Å; Y209-L213 HydrophobicContact CD1-CD1 3.89Å; Y209-L213 HydrophobicContact CE1-CD1 3.41Å; Y209-L213 VanDerWaalsContact CE1-CD1 3.41Å; Y209-L213 HydrophobicContact CE1-CG 4.33Å; Y209-L213 HydrophobicContact CE2-CD1 4.43Å; Y209-L213 WeakPolarHBondContact O-CG 3.45Å; Y209-L213 PolarHBondContact O-N 3.34Å; Y209-L213 VanDerWaalsContact O-N 3.16Å; V210-L213 PolarHBondContact O-N 3.13Å; V210-L213 VanDerWaalsContact O-N 3.16Å; L211-L213 VanDerWaalsContact C-N 3.27Å; L211-L213 PolarHBondContact O-N 2.78Å; L213-K215 PolarHBondContact O-N 2.81Å; L213-K215 VanDerWaalsContact O-N 3.11Å
214A91.6Very high93.8Very high2 Ų245.8 Ų45.82%0.01721%0.207CC..THydrogen-bonded Turntrans-73.83.9-172.800000115.1F182 F197 V210 L211 I219F182-A214 HydrophobicContact CD2-CB 4.17Å; F182-A214 HydrophobicContact CE2-CB 3.54Å; F182-A214 HydrophobicContact CZ-CB 3.75Å; F197-A214 HydrophobicContact CD2-CB 4.21Å; F197-A214 HydrophobicContact CE2-CB 4.16Å; V210-A214 WeakPolarHBondContact O-CB 3.32Å; V210-A214 PolarHBondContact O-N 3Å; L211-A214 PolarHBondContact O-N 2.93Å; A214-I219 HydrophobicContact CB-CD1 4.43Å
215K85.8Confident93.6Very high104 Ų10445.1 Ų45.145%0.45221%0.205SC..  trans52.275.5-173.9-62.4-174.9-179.6-176.80112.2L213 E217 S218L213-K215 PolarHBondContact O-N 2.81Å; L213-K215 VanDerWaalsContact O-N 3.11Å; K215-E217 VanDerWaalsContact CA-OE2 3.23Å; K215-E217 WeakPolarHBondContact CA-OE2 3.22Å; K215-E217 WeakPolarHBondContact CB-OE2 3.43Å; K215-E217 PolarHBondContact O-N 2.87Å; K215-S218 PolarHBondContact O-N 2.92Å; K215-S218 VanDerWaalsContact O-N 3.1Å; K215-S218 PolarHBondContact O-OG 3.04Å
216P87.3Confident92.7Very high10 Ų1041.5 Ų41.57%0.06519%0.19CC..G310 helixtrans-50.1-21.6-176.7-2936.3000115.8L211 S218 I219 V242 E243 F244L211-P216 WeakPolarHBondContact O-CD 3.38Å; L211-P216 WeakPolarHBondContact O-CG 3.49Å; P216-S218 PolarHBondContact O-N 3.26Å; P216-S218 VanDerWaalsContact O-N 3.12Å; P216-I219 PolarHBondContact O-N 3.1Å; P216-I219 VanDerWaalsContact O-N 3.09Å; P216-V242 HydrophobicContact CB-CG1 3.84Å; P216-V242 HydrophobicContact CG-CG1 3.48Å; P216-V242 VanDerWaalsContact CG-CG1 3.48Å; P216-E243 VanDerWaalsContact CB-O 3.23Å; P216-E243 WeakPolarHBondContact CB-O 3.34Å; P216-F244 HydrophobicContact CB-CD1 3.92Å; P216-F244 HydrophobicContact CB-CE1 3.92Å
217E89.1Confident92.1Very high108 Ų10840.7 Ų40.751%0.50519%0.188SC..G310 helixtrans-64-17179.7-48.688.1161.900113.6K215 P245 K246K215-E217 VanDerWaalsContact CA-OE2 3.23Å; K215-E217 WeakPolarHBondContact CA-OE2 3.22Å; K215-E217 WeakPolarHBondContact CB-OE2 3.43Å; K215-E217 PolarHBondContact O-N 2.87Å; E217-P245 HydrophobicContact CB-CG 4.12Å; E217-P245 HydrophobicContact CG-CG 4.36Å; E217-K246 VanDerWaalsContact O-CD 3.28Å; E217-K246 WeakPolarHBondContact O-CD 3.48Å
218S87.9Confident91.8Very high29 Ų2940.9 Ų40.920%0.20319%0.189CC..G310 helixtrans-97.5-13176.761.70000114.5F194 K215 P216F194-S218 PolarHBondContact O-OG 3.42Å; K215-S218 PolarHBondContact O-N 2.92Å; K215-S218 VanDerWaalsContact O-N 3.1Å; K215-S218 PolarHBondContact O-OG 3.04Å; P216-S218 PolarHBondContact O-N 3.26Å; P216-S218 VanDerWaalsContact O-N 3.12Å
219I96.5Very high91.6Very high0 Ų043.1 Ų43.10%021%0.207CC..  trans-81.5121.8-174.4-58.9176.9000109.7F197 L211 A214 P216 K221 K246 L247F197-I219 HydrophobicContact CB-CD1 4.05Å; F197-I219 HydrophobicContact CB-CG2 4.23Å; F197-I219 HydrophobicContact CD2-CD1 4.21Å; F197-I219 HydrophobicContact CG-CD1 4.47Å; L211-I219 HydrophobicContact CD2-CD1 4.34Å; A214-I219 HydrophobicContact CB-CD1 4.43Å; P216-I219 PolarHBondContact O-N 3.1Å; P216-I219 VanDerWaalsContact O-N 3.09Å; I219-K221 WeakPolarHBondContact CG2-O 3.46Å; I219-K246 CarbonylContact O-C 3.49Å; I219-L247 HydrophobicContact CG2-CD1 4.12Å
220T97.3Very high91.5Very high37 Ų3738.6 Ų38.623%0.22719%0.189CC..SBendtrans-102.2-22.2174.364.90000112.4V195 K246 Q248 S249V195-T220 HydrophobicContact CG1-CG2 4.29Å; V195-T220 WeakPolarHBondContact CG1-OG1 3.45Å; V195-T220 PolarHBondContact O-N 2.78Å; V195-T220 PolarHBondContact O-OG1 3.34Å; T220-K246 WeakPolarHBondContact CA-O 3.41Å; T220-K246 HydrophobicContact CG2-CB 4.29Å; T220-Q248 PolarHBondContact O-N 2.94Å; T220-S249 PolarHBondContact O-N 3.03Å; T220-S249 VanDerWaalsContact O-N 3.13Å
221K98.1Very high91.4Very high60 Ų6042.2 Ų42.226%0.26121%0.206SC..EExtended strand (participates in β ladder)trans-133.2128.3177.7-179.1171.3-154.9-155.40110.9V195 S196 F197 I219 E223 S249V195-K221 PolarHBondContact O-N 3.46Å; S196-K221 CarbonylContact C-O 3.55Å; S196-K221 WeakPolarHBondContact CA-O 3.43Å; F197-K221 PolarHBondContact N-O 3.32Å; I219-K221 WeakPolarHBondContact CG2-O 3.46Å; K221-E223 HydrophobicContact CD-CG 4.02Å; K221-E223 VanDerWaalsContact CE-OE1 3.28Å; K221-E223 WeakPolarHBondContact CE-OE1 3.47Å; K221-E223 HydrophobicContact CG-CG 3.83Å; K221-E223 VanDerWaalsContact NZ-CD 3.3Å; K221-E223 IonicContact NZ-OE1 3.83Å; K221-E223 PolarHBondContact NZ-OE1 2.96Å; K221-E223 IonicContact NZ-OE2 3.41Å; K221-S249 WeakPolarHBondContact CA-O 3.36Å; K221-S249 WeakPolarHBondContact CE-OG 3.23Å
222L97.9Very high91.2Very high0 Ų042.5 Ų42.50%021%0.209CC..EExtended strand (participates in β ladder)trans-120.9117.4175.1177.860.2000109.1F197 L211 V224 L238 F244 L247 S249 L250 A251F197-L222 HydrophobicContact CB-CD1 4.11Å; F197-L222 HydrophobicContact CD1-CD1 3.9Å; F197-L222 HydrophobicContact CG-CD1 4.25Å; F197-L222 WeakPolarHBondContact O-CA 3.32Å; L211-L222 HydrophobicContact CD1-CD1 4.49Å; L211-L222 HydrophobicContact CD2-CD1 3.84Å; L222-V224 HydrophobicContact CD1-CG2 4.21Å; L222-V224 HydrophobicContact CG-CG2 4.26Å; L222-L238 HydrophobicContact CD2-CD2 4.41Å; L222-F244 HydrophobicContact CD2-CE1 4.18Å; L222-F244 HydrophobicContact CD2-CE2 4.47Å; L222-F244 HydrophobicContact CD2-CZ 3.92Å; L222-L247 HydrophobicContact CB-CD1 3.68Å; L222-L247 HydrophobicContact CB-CD2 4.45Å; L222-S249 PolarHBondContact N-O 3.1Å; L222-L250 HydrophobicContact CB-CD1 4.13Å; L222-L250 HydrophobicContact CD2-CD1 3.93Å; L222-L250 HydrophobicContact CG-CD1 4.1Å; L222-L250 WeakPolarHBondContact O-CA 3.23Å; L222-A251 PolarHBondContact O-N 3.5Å
223E97.1Very high91.2Very high20 Ų2038.5 Ų38.59%0.09320%0.2CC..EExtended strand (participates in β ladder)trans-118.8103.4-177.9-58.7172.410400108.8R130 S196 F197 R198 A199 K221 A251R130-E223 IonicContact NH1-OE2 3.43Å; R130-E223 PolarHBondContact NH1-OE2 3.31Å; R130-E223 VanDerWaalsContact NH1-OE2 3.11Å; S196-E223 PolarHBondContact OG-OE2 3.1Å; S196-E223 VanDerWaalsContact OG-OE2 3.13Å; F197-E223 PolarHBondContact O-N 3.43Å; R198-E223 CarbonylContact C-O 3.59Å; R198-E223 VanDerWaalsContact CA-O 3.29Å; R198-E223 WeakPolarHBondContact CA-O 3.4Å; R198-E223 HydrophobicContact CB-CB 4.1Å; R198-E223 HydrophobicContact CG-CB 4.09Å; A199-E223 PolarHBondContact N-O 3.34Å; K221-E223 HydrophobicContact CD-CG 4.02Å; K221-E223 VanDerWaalsContact CE-OE1 3.28Å; K221-E223 WeakPolarHBondContact CE-OE1 3.47Å; K221-E223 HydrophobicContact CG-CG 3.83Å; K221-E223 VanDerWaalsContact NZ-CD 3.3Å; K221-E223 IonicContact NZ-OE1 3.83Å; K221-E223 PolarHBondContact NZ-OE1 2.96Å; K221-E223 IonicContact NZ-OE2 3.41Å; E223-A251 HydrophobicContact CB-CB 4.43Å; E223-A251 HydrophobicContact CG-CB 4.35Å
224V95.7Very high91.2Very high2 Ų239.4 Ų39.41%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-102.9112.6172.9-176.60000107.5A199 L207 L222 V228 L230 A251 L252 P253A199-V224 HydrophobicContact CB-CG2 4.41Å; L207-V224 HydrophobicContact CD1-CG2 4.47Å; L207-V224 HydrophobicContact CD2-CG1 4.42Å; L222-V224 HydrophobicContact CD1-CG2 4.21Å; L222-V224 HydrophobicContact CG-CG2 4.26Å; V224-V228 HydrophobicContact CG1-CB 3.63Å; V224-V228 HydrophobicContact CG1-CG1 3.68Å; V224-V228 HydrophobicContact CG1-CG2 3.97Å; V224-L230 HydrophobicContact CG1-CB 4.46Å; V224-L230 HydrophobicContact CG1-CD2 4.23Å; V224-A251 PolarHBondContact N-O 3.23Å; V224-L252 CarbonylContact O-C 3.33Å; V224-L252 VanDerWaalsContact O-C 3.25Å; V224-P253 HydrophobicContact CG1-CG 4.07Å; V224-P253 VanDerWaalsContact O-CD 3.22Å; V224-P253 WeakPolarHBondContact O-CD 3.41Å
225V89.2Confident91.4Very high22 Ų2239.3 Ų39.313%0.13320%0.203CC..  trans-96.7165.8-173.1-52.40000113.1R198 A199 D200 N227 V228R198-V225 HydrophobicContact CG-CG1 4.32Å; A199-V225 WeakPolarHBondContact O-CG2 3.49Å; A199-V225 PolarHBondContact O-N 2.93Å; D200-V225 HydrophobicContact CB-CG2 3.4Å; D200-V225 WeakPolarHBondContact OD2-CG2 3.3Å; V225-N227 PolarHBondContact O-N 3.01Å; V225-V228 WeakPolarHBondContact O-CB 3.38Å; V225-V228 PolarHBondContact O-N 2.92Å
226H76.4Confident91.8Very high109 Ų10937.5 Ų37.551%0.50520%0.196SC..THydrogen-bonded Turntrans-43.6-28.3-168.5-64.881.7000118V228 A254 F290H226-V228 VanDerWaalsContact C-N 3.27Å; H226-V228 PolarHBondContact O-N 2.98Å; H226-A254 WeakPolarHBondContact CD2-CB 3.08Å; H226-A254 PolarHBondContact CD2-N 3.14Å; H226-A254 VanDerWaalsContact CD2-N 3.32Å; H226-A254 WeakPolarHBondContact NE2-CB 3.3Å; H226-A254 PolarHBondContact NE2-N 3.42Å; H226-F290 AromaticContact NE2-CD2 3.83Å
227N82.4Confident92.2Very high35 Ų3540 Ų4019%0.18721%0.211CC..THydrogen-bonded Turntrans-83.6-0.6179.5-57.5-66.6000114.2D200 S201 V225 L494 S497D200-N227 WeakPolarHBondContact OD1-CB 3.49Å; D200-N227 PolarHBondContact OD1-ND2 2.88Å; S201-N227 VanDerWaalsContact OG-CB 3.29Å; S201-N227 WeakPolarHBondContact OG-CB 3.31Å; V225-N227 PolarHBondContact O-N 3.01Å; N227-L494 WeakPolarHBondContact ND2-CD2 3.5Å; N227-S497 PolarHBondContact OD1-OG 3.24Å
228V89.5Confident92.5Very high3 Ų335 Ų352%0.01819%0.188CC..SBendtrans-93.4121.5172.7-179.40000108L202 L207 V224 V225 H226 L230L202-V228 HydrophobicContact CB-CG2 4.35Å; L207-V228 HydrophobicContact CD2-CG1 4.03Å; V224-V228 HydrophobicContact CG1-CB 3.63Å; V224-V228 HydrophobicContact CG1-CG1 3.68Å; V224-V228 HydrophobicContact CG1-CG2 3.97Å; V225-V228 WeakPolarHBondContact O-CB 3.38Å; V225-V228 PolarHBondContact O-N 2.92Å; H226-V228 VanDerWaalsContact C-N 3.27Å; H226-V228 PolarHBondContact O-N 2.98Å; V228-L230 HydrophobicContact CG1-CB 4.38Å; V228-L230 PolarHBondContact O-N 3.07Å
229P90.3Very high92.8Very high81 Ų8134.3 Ų34.353%0.52618%0.182SC..  trans-78.258.6-177.733.6-35.8000111.1L204L204-P229 WeakPolarHBondContact CD2-O 3.37Å; L204-P229 HydrophobicContact CG-CG 4.28Å
230L93Very high92.7Very high5 Ų537.3 Ų37.33%0.02620%0.203CC..  trans-80.9133.2175.6-167.374.6000109.1L204 L207 V224 V228 H234 L235 L252 P253 A256L204-L230 HydrophobicContact CD2-CD1 3.98Å; L207-L230 HydrophobicContact CD2-CD1 4.26Å; V224-L230 HydrophobicContact CG1-CB 4.46Å; V224-L230 HydrophobicContact CG1-CD2 4.23Å; V228-L230 HydrophobicContact CG1-CB 4.38Å; V228-L230 PolarHBondContact O-N 3.07Å; L230-H234 HydrophobicContact CD1-CB 3.69Å; L230-H234 HydrophobicContact CG-CB 4.47Å; L230-L235 HydrophobicContact CD2-CD1 4.43Å; L230-L252 HydrophobicContact CD2-CD2 4.08Å; L230-P253 HydrophobicContact CB-CG 3.65Å; L230-P253 HydrophobicContact CD2-CG 4.34Å; L230-A256 WeakPolarHBondContact O-CA 3.46Å
231E92.4Very high92.5Very high76 Ų7644 Ų4436%0.35522%0.224SC..  trans-128.1170.8176.7-57.5-174.3149.900109.1T233 H234 L235 A256 R261E231-T233 VanDerWaalsContact C-N 3.31Å; E231-T233 PolarHBondContact O-N 3.08Å; E231-H234 PolarHBondContact N-ND1 2.82Å; E231-H234 WeakPolarHBondContact O-CA 3.35Å; E231-H234 WeakPolarHBondContact O-CB 3.33Å; E231-H234 PolarHBondContact O-N 2.92Å; E231-H234 IonicContact OE2-CE1 3.71Å; E231-L235 PolarHBondContact O-N 3.08Å; E231-A256 CarbonylContact C-O 3.59Å; E231-R261 IonicContact OE1-NH1 3.37Å; E231-R261 PolarHBondContact OE1-NH1 3.44Å
232A92.4Very high92.2Very high6 Ų641.6 Ų41.65%0.0521%0.214CC..Hα-helixtrans-55.2-43.2-174.100000113H234 L235 E236 A256 L257 L262 L269 I273A232-H234 VanDerWaalsContact C-N 3.34Å; A232-H234 PolarHBondContact O-N 2.9Å; A232-L235 WeakPolarHBondContact O-CB 3.42Å; A232-L235 PolarHBondContact O-N 3.05Å; A232-E236 PolarHBondContact O-N 2.8Å; A232-A256 WeakPolarHBondContact CA-O 3.47Å; A232-A256 PolarHBondContact N-O 2.69Å; A232-L257 HydrophobicContact CB-CD2 4.29Å; A232-L262 HydrophobicContact CB-CD2 4Å; A232-L269 HydrophobicContact CB-CD2 3.7Å; A232-L269 HydrophobicContact CB-CG 4.36Å; A232-I273 HydrophobicContact CB-CD1 3.83Å; A232-I273 WeakPolarHBondContact O-CD1 3.5Å
233T92.1Very high91.9Very high62 Ų6249.4 Ų49.438%0.3825%0.251SS..Hα-helixtrans-63.5-39.8177.653.90000111.7E231 E236 V237 L269E231-T233 VanDerWaalsContact C-N 3.31Å; E231-T233 PolarHBondContact O-N 3.08Å; T233-E236 PolarHBondContact O-N 3.1Å; T233-V237 WeakPolarHBondContact O-CG2 3.38Å; T233-V237 PolarHBondContact O-N 3Å; T233-V237 VanDerWaalsContact O-N 3.13Å; T233-L269 HydrophobicContact CG2-CD2 3.68Å
234H93.8Very high91.8Very high57 Ų5748.8 Ų48.826%0.26425%0.247SC..Hα-helixtrans-67-40.6174.7-55119.5000111.2L204 F208 L230 E231 A232 V237 L238L204-H234 VanDerWaalsContact CD1-CE1 3.48Å; L204-H234 WeakPolarHBondContact CD1-CE1 3.48Å; L204-H234 WeakPolarHBondContact CD1-NE2 3.3Å; L204-H234 HydrophobicContact CD2-CB 4.36Å; F208-H234 WeakPolarHBondContact CZ-O 3.07Å; L230-H234 HydrophobicContact CD1-CB 3.69Å; L230-H234 HydrophobicContact CG-CB 4.47Å; E231-H234 PolarHBondContact N-ND1 2.82Å; E231-H234 WeakPolarHBondContact O-CA 3.35Å; E231-H234 WeakPolarHBondContact O-CB 3.33Å; E231-H234 PolarHBondContact O-N 2.92Å; E231-H234 IonicContact OE2-CE1 3.71Å; A232-H234 VanDerWaalsContact C-N 3.34Å; A232-H234 PolarHBondContact O-N 2.9Å; H234-V237 PolarHBondContact O-N 3.41Å; H234-L238 WeakPolarHBondContact O-CB 3.46Å; H234-L238 PolarHBondContact O-N 3.1Å
235L95.1Very high91.7Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-62.9-43.2176.9179.764000111.8L230 E231 A232 V237 L238 L239 L252 L257 I273L230-L235 HydrophobicContact CD2-CD1 4.43Å; E231-L235 PolarHBondContact O-N 3.08Å; A232-L235 WeakPolarHBondContact O-CB 3.42Å; A232-L235 PolarHBondContact O-N 3.05Å; L235-V237 VanDerWaalsContact C-N 3.34Å; L235-V237 PolarHBondContact O-N 2.93Å; L235-L238 WeakPolarHBondContact O-CB 3.44Å; L235-L238 PolarHBondContact O-N 3.48Å; L235-L239 HydrophobicContact CD1-CD1 3.94Å; L235-L239 HydrophobicContact CD1-CG 3.97Å; L235-L239 HydrophobicContact CG-CD1 3.97Å; L235-L239 HydrophobicContact CG-CG 4.35Å; L235-L239 WeakPolarHBondContact O-CG 3.34Å; L235-L239 PolarHBondContact O-N 3.41Å; L235-L252 HydrophobicContact CD1-CD1 4.48Å; L235-L252 HydrophobicContact CD1-CD2 3.82Å; L235-L252 HydrophobicContact CD2-CD1 3.54Å; L235-L252 HydrophobicContact CD2-CD2 4.35Å; L235-L257 HydrophobicContact CD2-CD2 3.87Å; L235-I273 HydrophobicContact CD2-CD1 4.39Å; L235-I273 HydrophobicContact CD2-CG2 3.79Å; L235-I273 HydrophobicContact CG-CG2 4.42Å
236E94.8Very high92Very high65 Ų6556.4 Ų56.430%0.30429%0.286SS..Hα-helixtrans-57-47.5174.1-172.9-147.3163.300111.2A232 T233 L238 L239 S240 L269 T272 I273 L276A232-E236 PolarHBondContact O-N 2.8Å; T233-E236 PolarHBondContact O-N 3.1Å; E236-L238 VanDerWaalsContact C-N 3.32Å; E236-L238 PolarHBondContact O-N 2.94Å; E236-L239 PolarHBondContact O-N 3.36Å; E236-S240 VanDerWaalsContact O-CB 3.25Å; E236-S240 WeakPolarHBondContact O-CB 3.45Å; E236-S240 PolarHBondContact O-N 3.35Å; E236-S240 PolarHBondContact O-OG 2.81Å; E236-L269 HydrophobicContact CB-CD1 3.79Å; E236-L269 HydrophobicContact CG-CD1 3.86Å; E236-L269 WeakPolarHBondContact OE2-CD1 3.46Å; E236-T272 HydrophobicContact CG-CG2 4.13Å; E236-I273 HydrophobicContact CB-CG1 4.18Å; E236-L276 HydrophobicContact CB-CD1 4.41Å; E236-L276 HydrophobicContact CG-CD1 3.79Å
237V94.9Very high93.1Very high64 Ų6451.2 Ų51.239%0.38826%0.262SS..Hα-helixtrans-64.3-38176.7178.70000111.3F208 T233 H234 L235 S240 R241F208-V237 HydrophobicContact CE1-CB 4.3Å; F208-V237 HydrophobicContact CE1-CG1 3.89Å; F208-V237 HydrophobicContact CZ-CB 4.47Å; F208-V237 HydrophobicContact CZ-CG1 4.46Å; T233-V237 WeakPolarHBondContact O-CG2 3.38Å; T233-V237 PolarHBondContact O-N 3Å; T233-V237 VanDerWaalsContact O-N 3.13Å; H234-V237 PolarHBondContact O-N 3.41Å; L235-V237 VanDerWaalsContact C-N 3.34Å; L235-V237 PolarHBondContact O-N 2.93Å; V237-S240 WeakPolarHBondContact CA-OG 3.32Å; V237-S240 PolarHBondContact O-OG 3.04Å; V237-R241 HydrophobicContact CG1-CG 3.98Å; V237-R241 WeakPolarHBondContact O-CB 3.37Å; V237-R241 WeakPolarHBondContact O-CG 3.47Å; V237-R241 PolarHBondContact O-N 3.45Å; V237-R241 VanDerWaalsContact O-N 3.09Å
238L95Very high93.8Very high2 Ų253.9 Ų53.91%0.0127%0.273CS..Hα-helixtrans-63-52.5178.4178.862.3000111F208 L211 L222 H234 L235 E236 S240 R241 V242 F244F208-L238 HydrophobicContact CD1-CD1 4.33Å; F208-L238 HydrophobicContact CE1-CB 3.9Å; F208-L238 HydrophobicContact CE1-CD1 4.14Å; F208-L238 HydrophobicContact CZ-CB 3.81Å; F208-L238 HydrophobicContact CZ-CD1 4.45Å; L211-L238 HydrophobicContact CD1-CD1 3.79Å; L211-L238 HydrophobicContact CD1-CD2 4.41Å; L222-L238 HydrophobicContact CD2-CD2 4.41Å; H234-L238 WeakPolarHBondContact O-CB 3.46Å; H234-L238 PolarHBondContact O-N 3.1Å; L235-L238 WeakPolarHBondContact O-CB 3.44Å; L235-L238 PolarHBondContact O-N 3.48Å; E236-L238 VanDerWaalsContact C-N 3.32Å; E236-L238 PolarHBondContact O-N 2.94Å; L238-S240 VanDerWaalsContact C-N 3.34Å; L238-S240 PolarHBondContact O-N 2.95Å; L238-R241 PolarHBondContact O-N 3.18Å; L238-V242 HydrophobicContact CD1-CB 4.39Å; L238-V242 HydrophobicContact CD1-CG2 3.96Å; L238-V242 WeakPolarHBondContact O-CB 3.28Å; L238-V242 PolarHBondContact O-N 3.45Å; L238-F244 HydrophobicContact CD1-CE2 4.44Å; L238-F244 HydrophobicContact CD1-CZ 4.42Å; L238-F244 HydrophobicContact CG-CE2 4.37Å
239L95.1Very high94.2Very high14 Ų1454 Ų547%0.07327%0.274CS..Hα-helixtrans-70-29.8-176.9-63.9176.7000112.6L235 E236 I273 L276 L277 L280L235-L239 HydrophobicContact CD1-CD1 3.94Å; L235-L239 HydrophobicContact CD1-CG 3.97Å; L235-L239 HydrophobicContact CG-CD1 3.97Å; L235-L239 HydrophobicContact CG-CG 4.35Å; L235-L239 WeakPolarHBondContact O-CG 3.34Å; L235-L239 PolarHBondContact O-N 3.41Å; E236-L239 PolarHBondContact O-N 3.36Å; L239-I273 HydrophobicContact CD1-CG2 4.48Å; L239-L276 HydrophobicContact CB-CB 3.89Å; L239-L276 HydrophobicContact CB-CD1 4.11Å; L239-L276 HydrophobicContact CB-CG 4.46Å; L239-L276 HydrophobicContact CD1-CB 4.04Å; L239-L277 HydrophobicContact CD1-CD2 3.77Å; L239-L277 HydrophobicContact CD1-CG 4.18Å; L239-L280 HydrophobicContact CD2-CD1 4.19Å
240S94.7Very high94.6Very high63 Ų6350.1 Ų50.144%0.44125%0.249SC..Hα-helixtrans-80.6-23.8177.360.30000114.1E236 V237 L238E236-S240 VanDerWaalsContact O-CB 3.25Å; E236-S240 WeakPolarHBondContact O-CB 3.45Å; E236-S240 PolarHBondContact O-N 3.35Å; E236-S240 PolarHBondContact O-OG 2.81Å; V237-S240 WeakPolarHBondContact CA-OG 3.32Å; V237-S240 PolarHBondContact O-OG 3.04Å; L238-S240 VanDerWaalsContact C-N 3.34Å; L238-S240 PolarHBondContact O-N 2.95Å
241R92.2Very high94.8Very high179 Ų17950.8 Ų50.868%0.67526%0.255SS*.Hα-helixtrans-107-10.7-174.6-60.8-65.6-169.8167.90.3114.1V237 L238V237-R241 HydrophobicContact CG1-CG 3.98Å; V237-R241 WeakPolarHBondContact O-CB 3.37Å; V237-R241 WeakPolarHBondContact O-CG 3.47Å; V237-R241 PolarHBondContact O-N 3.45Å; V237-R241 VanDerWaalsContact O-N 3.09Å; L238-R241 PolarHBondContact O-N 3.18Å
242V91.5Very high95Very high9 Ų947.7 Ų47.76%0.05524%0.241CC..SBendtrans-130.2121.2-176.7-172.30000108.8R212 P216 L238 F244R212-V242 HydrophobicContact CG-CG2 4.28Å; P216-V242 HydrophobicContact CB-CG1 3.84Å; P216-V242 HydrophobicContact CG-CG1 3.48Å; P216-V242 VanDerWaalsContact CG-CG1 3.48Å; L238-V242 HydrophobicContact CD1-CB 4.39Å; L238-V242 HydrophobicContact CD1-CG2 3.96Å; L238-V242 WeakPolarHBondContact O-CB 3.28Å; L238-V242 PolarHBondContact O-N 3.45Å; V242-F244 HydrophobicContact CB-CD2 4.36Å; V242-F244 HydrophobicContact CB-CE2 3.68Å; V242-F244 HydrophobicContact CB-CZ 3.99Å; V242-F244 HydrophobicContact CG1-CD2 4.22Å; V242-F244 HydrophobicContact CG1-CE1 3.99Å; V242-F244 HydrophobicContact CG1-CE2 3.6Å; V242-F244 HydrophobicContact CG1-CZ 3.47Å; V242-F244 VanDerWaalsContact CG1-CZ 3.47Å; V242-F244 VanDerWaalsContact O-CD2 3.31Å; V242-F244 WeakPolarHBondContact O-CD2 3.48Å
243E91.8Very high95Very high164 Ų16447.4 Ų47.477%0.76624%0.239SC*.  trans-85.1127.1179.2-66.4-178.6-173.300110.5P216 P245P216-E243 VanDerWaalsContact CB-O 3.23Å; P216-E243 WeakPolarHBondContact CB-O 3.34Å; E243-P245 VanDerWaalsContact O-CD 3.26Å; E243-P245 WeakPolarHBondContact O-CD 3.31Å
244F94.9Very high94.8Very high6 Ų646.4 Ų46.43%0.02624%0.237CC..  trans-120.165.8-178.4-70.7-73.3000110.9P216 L222 L238 V242 K246 L247 L280P216-F244 HydrophobicContact CB-CD1 3.92Å; P216-F244 HydrophobicContact CB-CE1 3.92Å; L222-F244 HydrophobicContact CD2-CE1 4.18Å; L222-F244 HydrophobicContact CD2-CE2 4.47Å; L222-F244 HydrophobicContact CD2-CZ 3.92Å; L238-F244 HydrophobicContact CD1-CE2 4.44Å; L238-F244 HydrophobicContact CD1-CZ 4.42Å; L238-F244 HydrophobicContact CG-CE2 4.37Å; V242-F244 HydrophobicContact CB-CD2 4.36Å; V242-F244 HydrophobicContact CB-CE2 3.68Å; V242-F244 HydrophobicContact CB-CZ 3.99Å; V242-F244 HydrophobicContact CG1-CD2 4.22Å; V242-F244 HydrophobicContact CG1-CE1 3.99Å; V242-F244 HydrophobicContact CG1-CE2 3.6Å; V242-F244 HydrophobicContact CG1-CZ 3.47Å; V242-F244 VanDerWaalsContact CG1-CZ 3.47Å; V242-F244 VanDerWaalsContact O-CD2 3.31Å; V242-F244 WeakPolarHBondContact O-CD2 3.48Å; F244-K246 PolarHBondContact O-N 2.95Å; F244-K246 VanDerWaalsContact O-N 3.13Å; F244-L247 HydrophobicContact CB-CB 3.72Å; F244-L247 HydrophobicContact CB-CD2 4Å; F244-L247 HydrophobicContact CB-CG 4.43Å; F244-L247 HydrophobicContact CD1-CD2 4.5Å; F244-L247 HydrophobicContact CG-CD2 4.16Å; F244-L247 PolarHBondContact O-N 3.5Å; F244-L280 HydrophobicContact CB-CD2 3.78Å
245P94.6Very high94.2Very high69 Ų6944.3 Ų44.345%0.44823%0.23SC..THydrogen-bonded Turntrans-64.7-24.1-167.726-36.3000114.1E217 E243 N282E217-P245 HydrophobicContact CB-CG 4.12Å; E217-P245 HydrophobicContact CG-CG 4.36Å; E243-P245 VanDerWaalsContact O-CD 3.26Å; E243-P245 WeakPolarHBondContact O-CD 3.31Å; P245-N282 PolarHBondContact O-ND2 3.29Å
246K95.9Very high93.9Very high115 Ų11544.4 Ų44.450%0.523%0.231SC..THydrogen-bonded Turntrans-108.44.9-178.5-63.1-171.1-172.9172.40113.7E217 I219 T220 F244 Q248E217-K246 VanDerWaalsContact O-CD 3.28Å; E217-K246 WeakPolarHBondContact O-CD 3.48Å; I219-K246 CarbonylContact O-C 3.49Å; T220-K246 WeakPolarHBondContact CA-O 3.41Å; T220-K246 HydrophobicContact CG2-CB 4.29Å; F244-K246 PolarHBondContact O-N 2.95Å; F244-K246 VanDerWaalsContact O-N 3.13Å; K246-Q248 PolarHBondContact O-N 2.82Å
247L97.7Very high93.7Very high1 Ų141.4 Ų41.41%0.00522%0.217CC..  trans-69.6123.1-174.2-170.475.7000110.7I219 L222 F244 S249 L250 L280 N282 L283I219-L247 HydrophobicContact CG2-CD1 4.12Å; L222-L247 HydrophobicContact CB-CD1 3.68Å; L222-L247 HydrophobicContact CB-CD2 4.45Å; F244-L247 HydrophobicContact CB-CB 3.72Å; F244-L247 HydrophobicContact CB-CD2 4Å; F244-L247 HydrophobicContact CB-CG 4.43Å; F244-L247 HydrophobicContact CD1-CD2 4.5Å; F244-L247 HydrophobicContact CG-CD2 4.16Å; F244-L247 PolarHBondContact O-N 3.5Å; L247-S249 WeakPolarHBondContact CD1-O 3.26Å; L247-L250 HydrophobicContact CD2-CB 4.46Å; L247-L280 HydrophobicContact CD2-CD1 4.06Å; L247-N282 CarbonylContact O-C 3.43Å; L247-N282 VanDerWaalsContact O-C 3.25Å; L247-N282 WeakPolarHBondContact O-CB 3.43Å; L247-L283 PolarHBondContact O-N 2.82Å
248Q97.8Very high93.3Very high91 Ų9138.8 Ų38.843%0.42520%0.201SC..  trans-110.6-30.4-178.5-70.1171.3-4.300111.7T220 K246 N282 T284 E285T220-Q248 PolarHBondContact O-N 2.94Å; K246-Q248 PolarHBondContact O-N 2.82Å; Q248-N282 WeakPolarHBondContact CA-O 3.37Å; Q248-N282 HydrophobicContact CG-CB 4.12Å; Q248-T284 PolarHBondContact O-N 3.12Å; Q248-E285 PolarHBondContact O-N 3.43Å
249S98.5Very high92.8Very high4 Ų440 Ų403%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-128.8128.7-177.7169.20000111.3T220 K221 L222 L247 E285 Y287T220-S249 PolarHBondContact O-N 3.03Å; T220-S249 VanDerWaalsContact O-N 3.13Å; K221-S249 WeakPolarHBondContact CA-O 3.36Å; K221-S249 WeakPolarHBondContact CE-OG 3.23Å; L222-S249 PolarHBondContact N-O 3.1Å; L247-S249 WeakPolarHBondContact CD1-O 3.26Å; S249-E285 WeakPolarHBondContact CA-O 3.28Å; S249-Y287 WeakPolarHBondContact OG-CE2 3.45Å
250L98.2Very high92.1Very high1 Ų147.9 Ų47.91%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-126.6119.4173.7179.562.8000109.8L222 L247 L252 L277 L283 E285 L286 Y287L222-L250 HydrophobicContact CB-CD1 4.13Å; L222-L250 HydrophobicContact CD2-CD1 3.93Å; L222-L250 HydrophobicContact CG-CD1 4.1Å; L222-L250 WeakPolarHBondContact O-CA 3.23Å; L247-L250 HydrophobicContact CD2-CB 4.46Å; L250-L252 HydrophobicContact CD1-CD2 3.9Å; L250-L252 HydrophobicContact CD2-CD2 4.17Å; L250-L252 HydrophobicContact CD2-CG 4.48Å; L250-L252 HydrophobicContact CG-CD2 3.96Å; L250-L252 HydrophobicContact CG-CG 4.26Å; L250-L277 HydrophobicContact CD2-CD2 3.56Å; L250-L283 HydrophobicContact CB-CD1 3.91Å; L250-E285 PolarHBondContact N-O 3.4Å; L250-L286 HydrophobicContact CB-CD1 4.35Å; L250-L286 HydrophobicContact CD2-CD1 4.32Å; L250-L286 HydrophobicContact CG-CD1 4.48Å; L250-L286 WeakPolarHBondContact O-CA 3.45Å; L250-Y287 PolarHBondContact O-N 3.08Å
251A97.7Very high91.2Very high19 Ų1952.6 Ų52.616%0.15725%0.245CC..EExtended strand (participates in β ladder)trans-112.5129.6169.500000110.1L222 E223 V224 Y287L222-A251 PolarHBondContact O-N 3.5Å; E223-A251 HydrophobicContact CB-CB 4.43Å; E223-A251 HydrophobicContact CG-CB 4.35Å; V224-A251 PolarHBondContact N-O 3.23Å; A251-Y287 WeakPolarHBondContact CA-O 3.47Å; A251-Y287 HydrophobicContact CB-CD2 4.04Å; A251-Y287 HydrophobicContact CB-CG 4.23Å
252L96.3Very high90.3Very high10 Ų1045.6 Ų45.65%0.05222%0.221CC..  trans-109.7151-178.8-60.7-176.5000110.5V224 L230 L235 L250 A256 L257 Y287 V288V224-L252 CarbonylContact O-C 3.33Å; V224-L252 VanDerWaalsContact O-C 3.25Å; L230-L252 HydrophobicContact CD2-CD2 4.08Å; L235-L252 HydrophobicContact CD1-CD1 4.48Å; L235-L252 HydrophobicContact CD1-CD2 3.82Å; L235-L252 HydrophobicContact CD2-CD1 3.54Å; L235-L252 HydrophobicContact CD2-CD2 4.35Å; L250-L252 HydrophobicContact CD1-CD2 3.9Å; L250-L252 HydrophobicContact CD2-CD2 4.17Å; L250-L252 HydrophobicContact CD2-CG 4.48Å; L250-L252 HydrophobicContact CG-CD2 3.96Å; L250-L252 HydrophobicContact CG-CG 4.26Å; L252-A256 HydrophobicContact CB-CB 4Å; L252-L257 HydrophobicContact CD1-CD1 3.99Å; L252-L257 HydrophobicContact CD1-CG 4.23Å; L252-Y287 PolarHBondContact N-O 2.87Å; L252-V288 HydrophobicContact CB-CG1 4.39Å; L252-V288 HydrophobicContact CD1-CG1 3.87Å; L252-V288 HydrophobicContact CG-CG1 4.27Å
253P92.6Very high89Confident1 Ų146.9 Ų46.91%0.00624%0.236CC..  trans-72.5159.2178.328.7-31.7000111.2V224 L230 G255 A256V224-P253 HydrophobicContact CG1-CG 4.07Å; V224-P253 VanDerWaalsContact O-CD 3.22Å; V224-P253 WeakPolarHBondContact O-CD 3.41Å; L230-P253 HydrophobicContact CB-CG 3.65Å; L230-P253 HydrophobicContact CD2-CG 4.34Å; P253-G255 PolarHBondContact O-N 3.29Å; P253-A256 HydrophobicContact CG-CB 4.02Å; P253-A256 WeakPolarHBondContact O-CB 3.4Å; P253-A256 PolarHBondContact O-N 2.69Å
254A87Confident87.4Confident41 Ų4143.8 Ų43.834%0.33924%0.238SC..THydrogen-bonded Turntrans-50.1139172.500000112.1H226 A256 F290H226-A254 WeakPolarHBondContact CD2-CB 3.08Å; H226-A254 PolarHBondContact CD2-N 3.14Å; H226-A254 VanDerWaalsContact CD2-N 3.32Å; H226-A254 WeakPolarHBondContact NE2-CB 3.3Å; H226-A254 PolarHBondContact NE2-N 3.42Å; A254-A256 PolarHBondContact O-N 3.03Å; A254-F290 HydrophobicContact CB-CB 3.42Å; A254-F290 VanDerWaalsContact CB-CB 3.42Å; A254-F290 HydrophobicContact CB-CG 4.32Å
255G82.9Confident85.6Confident13 Ų1350.7 Ų50.713%0.13428%0.276CS..THydrogen-bonded Turntrans68.85.117800000114.8P253 L257 D258 F290P253-G255 PolarHBondContact O-N 3.29Å; G255-L257 PolarHBondContact O-N 2.99Å; G255-D258 PolarHBondContact O-N 2.93Å; G255-F290 PolarHBondContact N-O 2.82Å
256A88.9Confident84Confident1 Ų150.6 Ų50.61%0.00827%0.271CS..THydrogen-bonded Turntrans-56.5-36.1173.700000111.7L230 E231 A232 L252 P253 A254L230-A256 WeakPolarHBondContact O-CA 3.46Å; E231-A256 CarbonylContact C-O 3.59Å; A232-A256 WeakPolarHBondContact CA-O 3.47Å; A232-A256 PolarHBondContact N-O 2.69Å; L252-A256 HydrophobicContact CB-CB 4Å; P253-A256 HydrophobicContact CG-CB 4.02Å; P253-A256 WeakPolarHBondContact O-CB 3.4Å; P253-A256 PolarHBondContact O-N 2.69Å; A254-A256 PolarHBondContact O-N 3.03Å
257L90.1Very high82.4Confident3 Ų348.1 Ų48.12%0.01626%0.264CS..THydrogen-bonded Turntrans-116.669.1174.8-57.8173000109.6A232 L235 L252 G255 L270 I273 V288 S291 T292 L293 L300A232-L257 HydrophobicContact CB-CD2 4.29Å; L235-L257 HydrophobicContact CD2-CD2 3.87Å; L252-L257 HydrophobicContact CD1-CD1 3.99Å; L252-L257 HydrophobicContact CD1-CG 4.23Å; G255-L257 PolarHBondContact O-N 2.99Å; L257-L270 HydrophobicContact CD2-CD1 3.98Å; L257-I273 HydrophobicContact CD2-CD1 3.93Å; L257-V288 HydrophobicContact CD1-CG1 4.1Å; L257-S291 CarbonylContact O-C 3.58Å; L257-S291 WeakPolarHBondContact O-CB 3.48Å; L257-T292 CarbonylContact O-C 3.58Å; L257-T292 PolarHBondContact O-N 2.82Å; L257-L293 HydrophobicContact CB-CD2 3.87Å; L257-L293 HydrophobicContact CD1-CD2 4.39Å; L257-L300 HydrophobicContact CD1-CD1 4.07Å; L257-L300 HydrophobicContact CD1-CD2 3.76Å
258D85.9Confident81.5Confident8 Ų854 Ų544%0.04330%0.295CS..  trans-97100.1175.8-168.7-3.5000111G255 R260 R261 T292G255-D258 PolarHBondContact O-N 2.93Å; D258-R260 PolarHBondContact O-N 3.27Å; D258-R260 VanDerWaalsContact O-N 3.09Å; D258-R260 WeakPolarHBondContact OD1-CB 3.45Å; D258-R260 IonicContact OD1-CZ 3.44Å; D258-R260 PolarHBondContact OD1-N 2.84Å; D258-R260 IonicContact OD1-NE 2.73Å; D258-R260 PolarHBondContact OD1-NE 2.87Å; D258-R260 IonicContact OD1-NH2 3.42Å; D258-R260 PolarHBondContact OD1-NH2 2.74Å; D258-R260 IonicContact OD2-CZ 3.19Å; D258-R260 IonicContact OD2-NE 2.81Å; D258-R260 PolarHBondContact OD2-NE 2.95Å; D258-R260 IonicContact OD2-NH2 3.79Å; D258-R260 PolarHBondContact OD2-NH2 3.18Å; D258-R261 HydrophobicContact CB-CG 4.04Å; D258-R261 PolarHBondContact O-N 3.27Å; D258-R261 IonicContact OD2-NE 3.58Å; D258-R261 PolarHBondContact OD2-NE 2.74Å; D258-T292 VanDerWaalsContact OD1-CB 3.23Å; D258-T292 WeakPolarHBondContact OD1-CB 3.33Å; D258-T292 PolarHBondContact OD1-OG1 3.47Å
259V84.2Confident81.1Confident27 Ų2750.3 Ų50.316%0.16428%0.278CS..G310 helixtrans-60.4-21.6-179.5-60.90000113.4R261 L262 L270 T292 H296V259-R261 PolarHBondContact O-N 3.27Å; V259-L262 HydrophobicContact CB-CD1 4.46Å; V259-L262 HydrophobicContact CG1-CD1 4.28Å; V259-L262 PolarHBondContact O-N 2.95Å; V259-L270 HydrophobicContact CG1-CD2 4.33Å; V259-T292 WeakPolarHBondContact CG1-O 3.27Å; V259-T292 HydrophobicContact CG2-CG2 4.32Å; V259-T292 VanDerWaalsContact CG2-O 3.31Å; V259-T292 WeakPolarHBondContact CG2-O 3.33Å; V259-T292 PolarHBondContact N-O 3.5Å; V259-T292 VanDerWaalsContact N-O 3.08Å; V259-H296 HydrophobicContact CG1-CB 4.18Å
260R80.3Confident80.7Confident180 Ų18050.2 Ų50.268%0.67928%0.277SS*.G310 helixtrans-68.9-21176.4-57.5172.5-62.4-175.62.7112.8D258 T292D258-R260 PolarHBondContact O-N 3.27Å; D258-R260 VanDerWaalsContact O-N 3.09Å; D258-R260 WeakPolarHBondContact OD1-CB 3.45Å; D258-R260 IonicContact OD1-CZ 3.44Å; D258-R260 PolarHBondContact OD1-N 2.84Å; D258-R260 IonicContact OD1-NE 2.73Å; D258-R260 PolarHBondContact OD1-NE 2.87Å; D258-R260 IonicContact OD1-NH2 3.42Å; D258-R260 PolarHBondContact OD1-NH2 2.74Å; D258-R260 IonicContact OD2-CZ 3.19Å; D258-R260 IonicContact OD2-NE 2.81Å; D258-R260 PolarHBondContact OD2-NE 2.95Å; D258-R260 IonicContact OD2-NH2 3.79Å; D258-R260 PolarHBondContact OD2-NH2 3.18Å; R260-T292 HydrophobicContact CG-CG2 4.2Å; R260-T292 PolarHBondContact NE-OG1 2.94Å; R260-T292 PolarHBondContact NH2-OG1 3.29Å
261R76.6Confident80.3Confident162 Ų16251.5 Ų51.561%0.61129%0.288SS*.G310 helixtrans-93.2-10.8178.2-58.6-176.1-171.9-165.50.5112.5E231 D258 V259E231-R261 IonicContact OE1-NH1 3.37Å; E231-R261 PolarHBondContact OE1-NH1 3.44Å; D258-R261 HydrophobicContact CB-CG 4.04Å; D258-R261 PolarHBondContact O-N 3.27Å; D258-R261 IonicContact OD2-NE 3.58Å; D258-R261 PolarHBondContact OD2-NE 2.74Å; V259-R261 PolarHBondContact O-N 3.27Å
262L73.3Confident80.2Confident32 Ų3253.3 Ų53.317%0.16830%0.297CS..SBendtrans-80.2128176.1-59.8-178.7000108.5A232 V259 D266 L269A232-L262 HydrophobicContact CB-CD2 4Å; V259-L262 HydrophobicContact CB-CD1 4.46Å; V259-L262 HydrophobicContact CG1-CD1 4.28Å; V259-L262 PolarHBondContact O-N 2.95Å; L262-D266 HydrophobicContact CB-CB 3.83Å; L262-D266 HydrophobicContact CD2-CB 4.1Å; L262-D266 HydrophobicContact CG-CB 4.49Å; L262-L269 HydrophobicContact CD2-CD2 3.86Å
263G63.1Low80.1Confident36 Ų3652.8 Ų52.837%0.37130%0.295SS..  trans-67.9170.3171.600000111.8D265 D266G263-D265 PolarHBondContact O-N 2.97Å; G263-D266 PolarHBondContact N-OD2 2.91Å; G263-D266 WeakPolarHBondContact O-CB 3.31Å; G263-D266 PolarHBondContact O-N 2.74Å
264A58.6Low80.2Confident99 Ų9952.8 Ų52.882%0.81829%0.294SS*.THydrogen-bonded Turntrans-61.4-23.8177.500000113.5
265D57.6Low80.7Confident152 Ų15256.3 Ų56.381%0.81330%0.304SS*.THydrogen-bonded Turntrans-87.2-13.6174.6-66.4-25.1000112.9G263 D267G263-D265 PolarHBondContact O-N 2.97Å; D265-D267 VanDerWaalsContact C-N 3.29Å
266D60.1Low81.3Confident66 Ų6656.7 Ų56.735%0.35330%0.302SS..THydrogen-bonded Turntrans-90.16.2179.7-62.6-44.8000112.5L262 G263 D268 L269L262-D266 HydrophobicContact CB-CB 3.83Å; L262-D266 HydrophobicContact CD2-CB 4.1Å; L262-D266 HydrophobicContact CG-CB 4.49Å; G263-D266 PolarHBondContact N-OD2 2.91Å; G263-D266 WeakPolarHBondContact O-CB 3.31Å; G263-D266 PolarHBondContact O-N 2.74Å; D266-D268 PolarHBondContact O-N 2.88Å; D266-L269 HydrophobicContact CB-CB 4.41Å; D266-L269 WeakPolarHBondContact O-CB 3.46Å; D266-L269 PolarHBondContact O-N 3.2Å
267D63.1Low81.7Confident64 Ų6456.7 Ų56.734%0.34230%0.302SS..Hα-helixtrans-61.4-26.2176.8-125.514.2000111.8D265 H296 R299D265-D267 VanDerWaalsContact C-N 3.29Å; D267-H296 IonicContact OD1-CE1 3.72Å; D267-R299 PolarHBondContact O-NH1 3.22Å; D267-R299 IonicContact OD1-CZ 3.11Å; D267-R299 IonicContact OD1-NH1 2.66Å; D267-R299 PolarHBondContact OD1-NH1 3.47Å; D267-R299 IonicContact OD1-NH2 2.78Å; D267-R299 IonicContact OD2-CZ 2.72Å; D267-R299 IonicContact OD2-NH1 3.4Å; D267-R299 PolarHBondContact OD2-NH1 3.09Å; D267-R299 IonicContact OD2-NH2 3.56Å; D267-R299 PolarHBondContact OD2-NH2 2.84Å
268D79.6Confident82Confident124 Ų12457.7 Ų57.766%0.66331%0.311SS*.Hα-helixtrans-77.5-21.1173-74.1-22.2000113.4D266 L270 A271 T272D266-D268 PolarHBondContact O-N 2.88Å; D268-L270 PolarHBondContact O-N 3.13Å; D268-A271 PolarHBondContact O-N 3.13Å; D268-T272 WeakPolarHBondContact O-CB 3.42Å; D268-T272 PolarHBondContact O-N 3.09Å; D268-T272 PolarHBondContact O-OG1 2.79Å
269L89.3Confident82.4Confident13 Ų1364.3 Ų64.37%0.06834%0.342CS..Hα-helixtrans-65.1-44.2-177179.958.8000111.3A232 T233 E236 L262 D266 A271 T272 I273A232-L269 HydrophobicContact CB-CD2 3.7Å; A232-L269 HydrophobicContact CB-CG 4.36Å; T233-L269 HydrophobicContact CG2-CD2 3.68Å; E236-L269 HydrophobicContact CB-CD1 3.79Å; E236-L269 HydrophobicContact CG-CD1 3.86Å; E236-L269 WeakPolarHBondContact OE2-CD1 3.46Å; L262-L269 HydrophobicContact CD2-CD2 3.86Å; D266-L269 HydrophobicContact CB-CB 4.41Å; D266-L269 WeakPolarHBondContact O-CB 3.46Å; D266-L269 PolarHBondContact O-N 3.2Å; L269-A271 VanDerWaalsContact C-N 3.31Å; L269-A271 PolarHBondContact O-N 2.91Å; L269-T272 WeakPolarHBondContact O-CB 3.22Å; L269-T272 PolarHBondContact O-N 3.36Å; L269-T272 VanDerWaalsContact O-N 3.16Å; L269-I273 HydrophobicContact CD1-CD1 4.32Å; L269-I273 HydrophobicContact CD1-CG1 4.42Å; L269-I273 HydrophobicContact CG-CD1 4.05Å; L269-I273 WeakPolarHBondContact O-CG1 3.4Å; L269-I273 PolarHBondContact O-N 3.04Å
270L89.8Confident82.9Confident3 Ų363.7 Ų63.72%0.01634%0.338CS..Hα-helixtrans-66.9-35.4-179.6-168.868.9000112L257 V259 D268 I273 G274 H296 R299 L300L257-L270 HydrophobicContact CD2-CD1 3.98Å; V259-L270 HydrophobicContact CG1-CD2 4.33Å; D268-L270 PolarHBondContact O-N 3.13Å; L270-I273 PolarHBondContact O-N 3.07Å; L270-G274 PolarHBondContact O-N 2.99Å; L270-H296 HydrophobicContact CD2-CB 3.56Å; L270-R299 HydrophobicContact CD2-CB 4.15Å; L270-R299 HydrophobicContact CG-CB 4.35Å; L270-L300 HydrophobicContact CD1-CD1 4.06Å
271A90.3Very high83.5Confident28 Ų2857.5 Ų57.523%0.23133%0.329CS..Hα-helixtrans-66.1-41172.700000111D268 L269 G274 H275D268-A271 PolarHBondContact O-N 3.13Å; L269-A271 VanDerWaalsContact C-N 3.31Å; L269-A271 PolarHBondContact O-N 2.91Å; A271-G274 PolarHBondContact O-N 2.72Å; A271-H275 PolarHBondContact O-CD2 3.21Å; A271-H275 PolarHBondContact O-N 2.82Å
272T93.8Very high84.4Confident56 Ų5653.5 Ų53.534%0.34432%0.32SS..Hα-helixtrans-60.2-46.5174.3-58.60000111.3E236 D268 L269 G274 H275 L276E236-T272 HydrophobicContact CG-CG2 4.13Å; D268-T272 WeakPolarHBondContact O-CB 3.42Å; D268-T272 PolarHBondContact O-N 3.09Å; D268-T272 PolarHBondContact O-OG1 2.79Å; L269-T272 WeakPolarHBondContact O-CB 3.22Å; L269-T272 PolarHBondContact O-N 3.36Å; L269-T272 VanDerWaalsContact O-N 3.16Å; T272-G274 VanDerWaalsContact C-N 3.34Å; T272-G274 PolarHBondContact O-N 2.92Å; T272-H275 WeakPolarHBondContact O-CB 3.18Å; T272-H275 PolarHBondContact O-N 3.11Å; T272-H275 VanDerWaalsContact O-N 3.17Å; T272-L276 HydrophobicContact CG2-CD1 4.25Å; T272-L276 WeakPolarHBondContact O-CG 3.36Å; T272-L276 PolarHBondContact O-N 3.24Å
273I95.4Very high85.6Confident0 Ų052 Ų520%031%0.312CS..Hα-helixtrans-59.7-44.8174-68.1165.6000110.5A232 L235 E236 L239 L257 L269 L270 H275 L276 L277 L300A232-I273 HydrophobicContact CB-CD1 3.83Å; A232-I273 WeakPolarHBondContact O-CD1 3.5Å; L235-I273 HydrophobicContact CD2-CD1 4.39Å; L235-I273 HydrophobicContact CD2-CG2 3.79Å; L235-I273 HydrophobicContact CG-CG2 4.42Å; E236-I273 HydrophobicContact CB-CG1 4.18Å; L239-I273 HydrophobicContact CD1-CG2 4.48Å; L257-I273 HydrophobicContact CD2-CD1 3.93Å; L269-I273 HydrophobicContact CD1-CD1 4.32Å; L269-I273 HydrophobicContact CD1-CG1 4.42Å; L269-I273 HydrophobicContact CG-CD1 4.05Å; L269-I273 WeakPolarHBondContact O-CG1 3.4Å; L269-I273 PolarHBondContact O-N 3.04Å; L270-I273 PolarHBondContact O-N 3.07Å; I273-H275 VanDerWaalsContact C-N 3.3Å; I273-H275 PolarHBondContact O-N 3.39Å; I273-L276 PolarHBondContact O-N 3.32Å; I273-L276 VanDerWaalsContact O-N 3.12Å; I273-L277 HydrophobicContact CG2-CD1 4.22Å; I273-L277 HydrophobicContact CG2-CG 4.3Å; I273-L277 WeakPolarHBondContact O-CG 3.44Å; I273-L277 PolarHBondContact O-N 3.45Å; I273-L300 HydrophobicContact CG2-CD1 3.86Å
274G95.4Very high87.3Confident0 Ų051.7 Ų51.70%030%0.303CS..Hα-helixtrans-55.9-43.4174.600000112.5L270 A271 T272 L277 A278 L300L270-G274 PolarHBondContact O-N 2.99Å; A271-G274 PolarHBondContact O-N 2.72Å; T272-G274 VanDerWaalsContact C-N 3.34Å; T272-G274 PolarHBondContact O-N 2.92Å; G274-L277 PolarHBondContact O-N 3.15Å; G274-A278 PolarHBondContact O-N 2.72Å; G274-L300 WeakPolarHBondContact CA-O 3.31Å
275H95.7Very high89.2Confident116 Ų11649.4 Ų49.454%0.53728%0.276SS..Hα-helixtrans-65.8-39174.4-75-60.8000113.3A271 T272 I273 A278 Q279A271-H275 PolarHBondContact O-CD2 3.21Å; A271-H275 PolarHBondContact O-N 2.82Å; T272-H275 WeakPolarHBondContact O-CB 3.18Å; T272-H275 PolarHBondContact O-N 3.11Å; T272-H275 VanDerWaalsContact O-N 3.17Å; I273-H275 VanDerWaalsContact C-N 3.3Å; I273-H275 PolarHBondContact O-N 3.39Å; H275-A278 WeakPolarHBondContact O-CB 3.34Å; H275-A278 PolarHBondContact O-N 3.11Å; H275-Q279 PolarHBondContact O-N 2.81Å
276L96.7Very high91.1Very high20 Ų2042.2 Ų42.211%0.10524%0.237CC..Hα-helixtrans-65.9-39.9175-69.6169.8000111.5E236 L239 T272 I273 A278 Q279E236-L276 HydrophobicContact CB-CD1 4.41Å; E236-L276 HydrophobicContact CG-CD1 3.79Å; L239-L276 HydrophobicContact CB-CB 3.89Å; L239-L276 HydrophobicContact CB-CD1 4.11Å; L239-L276 HydrophobicContact CB-CG 4.46Å; L239-L276 HydrophobicContact CD1-CB 4.04Å; T272-L276 HydrophobicContact CG2-CD1 4.25Å; T272-L276 WeakPolarHBondContact O-CG 3.36Å; T272-L276 PolarHBondContact O-N 3.24Å; I273-L276 PolarHBondContact O-N 3.32Å; I273-L276 VanDerWaalsContact O-N 3.12Å; L276-A278 VanDerWaalsContact C-N 3.29Å; L276-A278 PolarHBondContact O-N 2.85Å; L276-Q279 WeakPolarHBondContact O-CB 3.49Å; L276-Q279 PolarHBondContact O-N 2.91Å; L276-Q279 VanDerWaalsContact O-N 3.15Å
277L96.8Very high92.9Very high2 Ų240.9 Ų40.91%0.0123%0.227CC..Hα-helixtrans-62.4-37.3172.2-69.4177000111.6L239 L250 I273 G274 Q279 L280 L283 L300 L304L239-L277 HydrophobicContact CD1-CD2 3.77Å; L239-L277 HydrophobicContact CD1-CG 4.18Å; L250-L277 HydrophobicContact CD2-CD2 3.56Å; I273-L277 HydrophobicContact CG2-CD1 4.22Å; I273-L277 HydrophobicContact CG2-CG 4.3Å; I273-L277 WeakPolarHBondContact O-CG 3.44Å; I273-L277 PolarHBondContact O-N 3.45Å; G274-L277 PolarHBondContact O-N 3.15Å; L277-Q279 PolarHBondContact O-N 3.16Å; L277-L280 HydrophobicContact CD2-CD1 3.87Å; L277-L280 VanDerWaalsContact O-CB 3.23Å; L277-L280 WeakPolarHBondContact O-CB 3.47Å; L277-L280 PolarHBondContact O-N 2.98Å; L277-L283 HydrophobicContact CB-CD2 4.4Å; L277-L283 HydrophobicContact CD2-CD2 4.18Å; L277-L300 HydrophobicContact CD1-CD1 3.54Å; L277-L300 HydrophobicContact CD1-CG 4.1Å; L277-L304 HydrophobicContact CB-CD1 3.85Å; L277-L304 HydrophobicContact CB-CG 4.47Å
278A95.6Very high94.5Very high24 Ų2437.8 Ų37.820%0.19821%0.211CC..Hα-helixtrans-65.4-21.3176.200000113.8G274 H275 L276 L280 P303G274-A278 PolarHBondContact O-N 2.72Å; H275-A278 WeakPolarHBondContact O-CB 3.34Å; H275-A278 PolarHBondContact O-N 3.11Å; L276-A278 VanDerWaalsContact C-N 3.29Å; L276-A278 PolarHBondContact O-N 2.85Å; A278-L280 VanDerWaalsContact C-N 3.26Å; A278-P303 HydrophobicContact CB-CB 4.02Å; A278-P303 WeakPolarHBondContact CB-O 3.2Å
279Q95.1Very high95.1Very high146 Ų14632 Ų3268%0.68218%0.18SC*.Hα-helixtrans-74.8-17.6172.5-64.3176.3-600112.3H275 L276 L277 G281H275-Q279 PolarHBondContact O-N 2.81Å; L276-Q279 WeakPolarHBondContact O-CB 3.49Å; L276-Q279 PolarHBondContact O-N 2.91Å; L276-Q279 VanDerWaalsContact O-N 3.15Å; L277-Q279 PolarHBondContact O-N 3.16Å; Q279-G281 VanDerWaalsContact C-N 3.26Å; Q279-G281 PolarHBondContact O-N 2.94Å
280L95.1Very high95.2Very high15 Ų1536.2 Ų36.28%0.07920%0.198CC..  trans-77.576.6172.4-53.6174.5000109.6L239 F244 L247 L277 A278 N282 L283L239-L280 HydrophobicContact CD2-CD1 4.19Å; F244-L280 HydrophobicContact CB-CD2 3.78Å; L247-L280 HydrophobicContact CD2-CD1 4.06Å; L277-L280 HydrophobicContact CD2-CD1 3.87Å; L277-L280 VanDerWaalsContact O-CB 3.23Å; L277-L280 WeakPolarHBondContact O-CB 3.47Å; L277-L280 PolarHBondContact O-N 2.98Å; A278-L280 VanDerWaalsContact C-N 3.26Å; L280-N282 PolarHBondContact O-N 3.22Å; L280-L283 HydrophobicContact CB-CB 3.88Å; L280-L283 HydrophobicContact CD1-CD1 4.5Å; L280-L283 HydrophobicContact CD1-CD2 4.2Å; L280-L283 VanDerWaalsContact O-CB 3.31Å; L280-L283 WeakPolarHBondContact O-CB 3.33Å; L280-L283 PolarHBondContact O-N 3.42Å
281G93.1Very high95.3Very high49 Ų4936.1 Ų36.151%0.50520%0.198SC..THydrogen-bonded Turntrans-61.6-5.8-171.100000116.7Q279 T306Q279-G281 VanDerWaalsContact C-N 3.26Å; Q279-G281 PolarHBondContact O-N 2.94Å; G281-T306 VanDerWaalsContact O-CG2 3.31Å; G281-T306 WeakPolarHBondContact O-CG2 3.39Å
282N95.8Very high95.3Very high78 Ų7835.3 Ų35.342%0.41719%0.19SC..THydrogen-bonded Turntrans-111.30.1176.1-70.5-35.2000113.4P245 L247 Q248 L280 T284P245-N282 PolarHBondContact O-ND2 3.29Å; L247-N282 CarbonylContact O-C 3.43Å; L247-N282 VanDerWaalsContact O-C 3.25Å; L247-N282 WeakPolarHBondContact O-CB 3.43Å; Q248-N282 WeakPolarHBondContact CA-O 3.37Å; Q248-N282 HydrophobicContact CG-CB 4.12Å; L280-N282 PolarHBondContact O-N 3.22Å; N282-T284 PolarHBondContact O-N 2.91Å
283L97.9Very high95.3Very high0 Ų032.7 Ų32.70%017%0.174CC..  trans-66.8120.9-175.8-172.172.6000110.4L247 L250 L277 L280 E285 L304 T306L247-L283 PolarHBondContact O-N 2.82Å; L250-L283 HydrophobicContact CB-CD1 3.91Å; L277-L283 HydrophobicContact CB-CD2 4.4Å; L277-L283 HydrophobicContact CD2-CD2 4.18Å; L280-L283 HydrophobicContact CB-CB 3.88Å; L280-L283 HydrophobicContact CD1-CD1 4.5Å; L280-L283 HydrophobicContact CD1-CD2 4.2Å; L280-L283 VanDerWaalsContact O-CB 3.31Å; L280-L283 WeakPolarHBondContact O-CB 3.33Å; L280-L283 PolarHBondContact O-N 3.42Å; L283-E285 WeakPolarHBondContact CD1-O 3.35Å; L283-L304 HydrophobicContact CD2-CD2 4.22Å; L283-T306 WeakPolarHBondContact O-CB 3.49Å; L283-T306 PolarHBondContact O-OG1 3.17Å
284T97.9Very high95.1Very high30 Ų3035.3 Ų35.318%0.18419%0.19CC..  trans-131.9-10177.759.20000112.8Q248 N282 L308 K309 C310Q248-T284 PolarHBondContact O-N 3.12Å; N282-T284 PolarHBondContact O-N 2.91Å; T284-L308 CarbonylContact O-C 3.34Å; T284-L308 WeakPolarHBondContact O-CA 3.44Å; T284-K309 PolarHBondContact O-N 2.9Å; T284-C310 PolarHBondContact O-N 3.45Å
285E98.6Very high94.9Very high52 Ų5236.8 Ų36.824%0.24321%0.205CC..EExtended strand (participates in β ladder)trans-128.6124.4179.3-46.9-178.8-165.800110Q248 S249 L250 L283 Y287 C310Q248-E285 PolarHBondContact O-N 3.43Å; S249-E285 WeakPolarHBondContact CA-O 3.28Å; L250-E285 PolarHBondContact N-O 3.4Å; L283-E285 WeakPolarHBondContact CD1-O 3.35Å; E285-Y287 HydrophobicContact CB-CE2 3.6Å; E285-Y287 PolarHBondContact OE2-OH 2.93Å; E285-C310 WeakPolarHBondContact CA-O 3.17Å; E285-C310 HydrophobicContact CB-CB 3.81Å; E285-C310 HydrophobicContact CG-CB 3.77Å
286L98.2Very high94.7Very high1 Ų133.3 Ų33.31%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-132.8120.9-179.3-177.863.6000109.7L250 V288 L300 L301 L308 C310 L311 E312L250-L286 HydrophobicContact CB-CD1 4.35Å; L250-L286 HydrophobicContact CD2-CD1 4.32Å; L250-L286 HydrophobicContact CG-CD1 4.48Å; L250-L286 WeakPolarHBondContact O-CA 3.45Å; L286-V288 HydrophobicContact CD1-CG1 3.8Å; L286-V288 HydrophobicContact CD2-CG1 4.43Å; L286-V288 HydrophobicContact CG-CG1 3.92Å; L286-L300 HydrophobicContact CD2-CD2 4.28Å; L286-L301 HydrophobicContact CD2-CD2 3.68Å; L286-L308 HydrophobicContact CB-CD1 4.14Å; L286-L308 HydrophobicContact CB-CD2 4.27Å; L286-L308 HydrophobicContact CD2-CD1 4.36Å; L286-C310 PolarHBondContact N-O 2.96Å; L286-L311 HydrophobicContact CB-CD1 4.42Å; L286-L311 WeakPolarHBondContact O-CA 3.19Å; L286-E312 PolarHBondContact O-N 2.82Å
287Y97.6Very high94.6Very high37 Ų3732.3 Ų32.315%0.14518%0.184CC..EExtended strand (participates in β ladder)trans-119.7110.3179.7-47.7-99000108.7S249 L250 A251 L252 E285 C310 E312S249-Y287 WeakPolarHBondContact OG-CE2 3.45Å; L250-Y287 PolarHBondContact O-N 3.08Å; A251-Y287 WeakPolarHBondContact CA-O 3.47Å; A251-Y287 HydrophobicContact CB-CD2 4.04Å; A251-Y287 HydrophobicContact CB-CG 4.23Å; L252-Y287 PolarHBondContact N-O 2.87Å; E285-Y287 HydrophobicContact CB-CE2 3.6Å; E285-Y287 PolarHBondContact OE2-OH 2.93Å; Y287-C310 HydrophobicContact CE1-CB 4.38Å; Y287-C310 WeakPolarHBondContact OH-CB 3.41Å; Y287-E312 HydrophobicContact CD1-CB 3.58Å; Y287-E312 HydrophobicContact CD1-CG 4.47Å; Y287-E312 WeakPolarHBondContact CD1-OE2 3.31Å; Y287-E312 HydrophobicContact CE1-CB 4.48Å; Y287-E312 HydrophobicContact CG-CB 4.23Å
288V95.9Very high94.5Very high0 Ų039.8 Ų39.80%021%0.212CC..  trans-130.828.3-176.5-620000111.5L252 L257 L286 S291 L293 E312 L313 C316L252-V288 HydrophobicContact CB-CG1 4.39Å; L252-V288 HydrophobicContact CD1-CG1 3.87Å; L252-V288 HydrophobicContact CG-CG1 4.27Å; L257-V288 HydrophobicContact CD1-CG1 4.1Å; L286-V288 HydrophobicContact CD1-CG1 3.8Å; L286-V288 HydrophobicContact CD2-CG1 4.43Å; L286-V288 HydrophobicContact CG-CG1 3.92Å; V288-S291 WeakPolarHBondContact O-CB 3.42Å; V288-S291 PolarHBondContact O-N 2.78Å; V288-S291 PolarHBondContact O-OG 2.56Å; V288-L293 HydrophobicContact CG2-CD1 4.04Å; V288-E312 PolarHBondContact N-O 3.48Å; V288-E312 VanDerWaalsContact N-O 3.09Å; V288-L313 HydrophobicContact CG2-CD2 3.61Å; V288-C316 PolarHBondContact O-SG 2.93Å
289G93.1Very high94.4Very high1 Ų142.7 Ų42.71%0.0122%0.218CC..THydrogen-bonded Turntrans-47.6146.217700000112.3S291 A314G289-S291 PolarHBondContact O-N 2.66Å; G289-S291 VanDerWaalsContact O-N 3.11Å; G289-A314 CarbonylContact C-O 3.42Å; G289-A314 VanDerWaalsContact CA-O 3.25Å; G289-A314 WeakPolarHBondContact CA-O 3.32Å
290F90.9Very high94.3Very high103 Ų10335.8 Ų35.845%0.45219%0.186SC..THydrogen-bonded Turntrans59.719.8-179.7-53.6-90.8000114.3H226 A254 G255 A314 N315H226-F290 AromaticContact NE2-CD2 3.83Å; A254-F290 HydrophobicContact CB-CB 3.42Å; A254-F290 VanDerWaalsContact CB-CB 3.42Å; A254-F290 HydrophobicContact CB-CG 4.32Å; G255-F290 PolarHBondContact N-O 2.82Å; F290-A314 PolarHBondContact N-O 3.01Å; F290-N315 HydrophobicContact CD1-CB 3.45Å; F290-N315 VanDerWaalsContact CD1-CB 3.45Å; F290-N315 HydrophobicContact CE1-CB 3.67Å; F290-N315 VanDerWaalsContact CE1-ND2 3.26Å; F290-N315 WeakPolarHBondContact CE1-ND2 3.45Å; F290-N315 HydrophobicContact CG-CB 4.05Å; F290-N315 HydrophobicContact CZ-CB 4.42Å
291S91.6Very high94.3Very high0 Ų035 Ų350%018%0.182CC..  trans-96.5120.4169.3-65.60000110.6L257 V288 G289 L293 C316L257-S291 CarbonylContact O-C 3.58Å; L257-S291 WeakPolarHBondContact O-CB 3.48Å; V288-S291 WeakPolarHBondContact O-CB 3.42Å; V288-S291 PolarHBondContact O-N 2.78Å; V288-S291 PolarHBondContact O-OG 2.56Å; G289-S291 PolarHBondContact O-N 2.66Å; G289-S291 VanDerWaalsContact O-N 3.11Å; S291-L293 PolarHBondContact O-N 2.83Å; S291-L293 VanDerWaalsContact O-N 3.07Å; S291-C316 WeakPolarHBondContact O-CA 3.48Å; S291-C316 VanDerWaalsContact O-CB 3.26Å; S291-C316 WeakPolarHBondContact O-CB 3.42Å; S291-C316 PolarHBondContact O-SG 3.44Å
292T91.7Very high94.4Very high12 Ų1235.7 Ų35.77%0.07418%0.178CC..  trans-69105.6178.3-40.80000110.5L257 D258 V259 R260 C317L257-T292 CarbonylContact O-C 3.58Å; L257-T292 PolarHBondContact O-N 2.82Å; D258-T292 VanDerWaalsContact OD1-CB 3.23Å; D258-T292 WeakPolarHBondContact OD1-CB 3.33Å; D258-T292 PolarHBondContact OD1-OG1 3.47Å; V259-T292 WeakPolarHBondContact CG1-O 3.27Å; V259-T292 HydrophobicContact CG2-CG2 4.32Å; V259-T292 VanDerWaalsContact CG2-O 3.31Å; V259-T292 WeakPolarHBondContact CG2-O 3.33Å; V259-T292 PolarHBondContact N-O 3.5Å; V259-T292 VanDerWaalsContact N-O 3.08Å; R260-T292 HydrophobicContact CG-CG2 4.2Å; R260-T292 PolarHBondContact NE-OG1 2.94Å; R260-T292 PolarHBondContact NH2-OG1 3.29Å; T292-C317 HydrophobicContact CG2-CB 4.08Å
293L92.1Very high94.4Very high0 Ų033.2 Ų33.20%017%0.166CC..  trans-111.30.5-176.8-66.4175.8000114L257 V288 S291 G295 H296 L297 L300 L313 C316 L318L257-L293 HydrophobicContact CB-CD2 3.87Å; L257-L293 HydrophobicContact CD1-CD2 4.39Å; V288-L293 HydrophobicContact CG2-CD1 4.04Å; S291-L293 PolarHBondContact O-N 2.83Å; S291-L293 VanDerWaalsContact O-N 3.07Å; L293-G295 PolarHBondContact O-N 2.87Å; L293-G295 VanDerWaalsContact O-N 3.09Å; L293-H296 WeakPolarHBondContact O-CA 3.34Å; L293-H296 WeakPolarHBondContact O-CB 3.47Å; L293-H296 PolarHBondContact O-N 2.97Å; L293-L297 HydrophobicContact CD1-CD1 3.92Å; L293-L297 PolarHBondContact O-N 3.17Å; L293-L300 HydrophobicContact CD1-CD2 4.47Å; L293-L313 HydrophobicContact CD1-CD2 4.18Å; L293-C316 HydrophobicContact CD1-CB 4.44Å; L293-C316 PolarHBondContact N-O 3.46Å; L293-L318 HydrophobicContact CB-CD2 4.45Å
294T91.6Very high94.3Very high55 Ų5533.2 Ų33.234%0.33717%0.166SC..THydrogen-bonded Turntrans-35.5107.2-170.7-49.70000115H296 C317 N319T294-H296 VanDerWaalsContact C-N 3.32Å; T294-H296 PolarHBondContact O-CD2 3.42Å; T294-C317 WeakPolarHBondContact CA-O 3.48Å; T294-C317 VanDerWaalsContact CB-O 3.32Å; T294-C317 WeakPolarHBondContact CB-O 3.08Å; T294-C317 WeakPolarHBondContact CG2-O 3.36Å; T294-C317 WeakPolarHBondContact OG1-CB 3.49Å; T294-C317 PolarHBondContact OG1-O 3Å; T294-N319 HydrophobicContact CG2-CB 4.22Å
295G91.5Very high93.9Very high32 Ų3238.3 Ų38.333%0.3319%0.192SC..THydrogen-bonded Turntrans85.2-5.2178.300000115.4L293 N319 D322L293-G295 PolarHBondContact O-N 2.87Å; L293-G295 VanDerWaalsContact O-N 3.09Å; G295-N319 WeakPolarHBondContact CA-ND2 3.44Å; G295-N319 PolarHBondContact N-ND2 2.71Å; G295-N319 VanDerWaalsContact N-ND2 3.19Å; G295-D322 WeakPolarHBondContact CA-OD1 3.5Å; G295-D322 VanDerWaalsContact N-CG 3.27Å; G295-D322 PolarHBondContact N-OD1 3.3Å; G295-D322 VanDerWaalsContact N-OD1 3.09Å; G295-D322 PolarHBondContact N-OD2 3.36Å
296H92.1Very high93.7Very high42 Ų4237.4 Ų37.419%0.19419%0.19CC..THydrogen-bonded Turntrans-1182.4-172.8-60.8-92.2000114V259 D267 L270 L293 T294 R298 R299 D322V259-H296 HydrophobicContact CG1-CB 4.18Å; D267-H296 IonicContact OD1-CE1 3.72Å; L270-H296 HydrophobicContact CD2-CB 3.56Å; L293-H296 WeakPolarHBondContact O-CA 3.34Å; L293-H296 WeakPolarHBondContact O-CB 3.47Å; L293-H296 PolarHBondContact O-N 2.97Å; T294-H296 VanDerWaalsContact C-N 3.32Å; T294-H296 PolarHBondContact O-CD2 3.42Å; H296-R298 PolarHBondContact O-N 3.46Å; H296-R298 VanDerWaalsContact O-N 3.1Å; H296-R299 PolarHBondContact ND1-NH1 3Å; H296-R299 WeakPolarHBondContact O-CB 3.5Å; H296-R299 PolarHBondContact O-N 3.01Å; H296-D322 PolarHBondContact N-OD1 3.03Å
297L94.8Very high93.6Very high0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-53.5-37.9179.6-179.365.3000112L293 R299 L300 L301 L313 L318 D322 Y325 L326L293-L297 HydrophobicContact CD1-CD1 3.92Å; L293-L297 PolarHBondContact O-N 3.17Å; L297-R299 VanDerWaalsContact C-N 3.29Å; L297-R299 PolarHBondContact O-N 3.11Å; L297-L300 PolarHBondContact O-N 3.05Å; L297-L301 HydrophobicContact CD1-CD1 3.71Å; L297-L301 HydrophobicContact CD1-CG 3.98Å; L297-L301 HydrophobicContact CD2-CD1 4.36Å; L297-L301 HydrophobicContact CG-CD1 3.93Å; L297-L301 HydrophobicContact CG-CG 4.33Å; L297-L301 PolarHBondContact O-N 3.33Å; L297-L301 VanDerWaalsContact O-N 3.1Å; L297-L313 HydrophobicContact CD1-CD1 4.18Å; L297-L313 HydrophobicContact CD1-CD2 3.8Å; L297-L313 HydrophobicContact CD2-CD1 3.97Å; L297-L318 HydrophobicContact CD2-CD2 4.22Å; L297-D322 HydrophobicContact CB-CB 3.83Å; L297-D322 WeakPolarHBondContact CB-OD1 3.48Å; L297-D322 HydrophobicContact CD2-CB 4.05Å; L297-D322 PolarHBondContact N-OD1 3.06Å; L297-D322 VanDerWaalsContact N-OD1 3.1Å; L297-Y325 HydrophobicContact CG-CD1 4.48Å; L297-L326 HydrophobicContact CD2-CB 4.22Å
298R94.8Very high93.6Very high158 Ų15838.4 Ų38.460%0.59620%0.201SC*.Hα-helixtrans-57.2-39.3176.5178.1173179.8-170.8-0.9112.8H296 L300 L301 C302 Y325H296-R298 PolarHBondContact O-N 3.46Å; H296-R298 VanDerWaalsContact O-N 3.1Å; R298-L300 VanDerWaalsContact C-N 3.28Å; R298-L300 PolarHBondContact O-N 2.81Å; R298-L301 PolarHBondContact O-N 3.39Å; R298-C302 HydrophobicContact CG-CB 3.98Å; R298-C302 WeakPolarHBondContact O-CB 3.33Å; R298-C302 PolarHBondContact O-N 3.01Å; R298-Y325 HydrophobicContact CB-CD1 3.98Å; R298-Y325 HydrophobicContact CB-CD2 3.8Å; R298-Y325 HydrophobicContact CB-CE1 4.31Å; R298-Y325 HydrophobicContact CB-CE2 4.11Å; R298-Y325 HydrophobicContact CB-CG 3.72Å; R298-Y325 HydrophobicContact CG-CD2 3.56Å; R298-Y325 HydrophobicContact CG-CE2 3.65Å; R298-Y325 HydrophobicContact CG-CG 4.05Å
299R92.1Very high93.8Very high85 Ų8543.7 Ų43.732%0.32122%0.224SC..Hα-helixtrans-65.7-35.3-177.4-65.4-172179.6168.32.6111.6D267 L270 H296 L297 P303D267-R299 PolarHBondContact O-NH1 3.22Å; D267-R299 IonicContact OD1-CZ 3.11Å; D267-R299 IonicContact OD1-NH1 2.66Å; D267-R299 PolarHBondContact OD1-NH1 3.47Å; D267-R299 IonicContact OD1-NH2 2.78Å; D267-R299 IonicContact OD2-CZ 2.72Å; D267-R299 IonicContact OD2-NH1 3.4Å; D267-R299 PolarHBondContact OD2-NH1 3.09Å; D267-R299 IonicContact OD2-NH2 3.56Å; D267-R299 PolarHBondContact OD2-NH2 2.84Å; L270-R299 HydrophobicContact CD2-CB 4.15Å; L270-R299 HydrophobicContact CG-CB 4.35Å; H296-R299 PolarHBondContact ND1-NH1 3Å; H296-R299 WeakPolarHBondContact O-CB 3.5Å; H296-R299 PolarHBondContact O-N 3.01Å; L297-R299 VanDerWaalsContact C-N 3.29Å; L297-R299 PolarHBondContact O-N 3.11Å; R299-P303 WeakPolarHBondContact O-CD 3.36Å
300L93.1Very high94Very high1 Ų144.5 Ų44.51%0.00523%0.229CC..Hα-helixtrans-73.1-46.7177.8-171.468.6000111.9L257 L270 I273 G274 L277 L286 L293 L297 R298 L304L257-L300 HydrophobicContact CD1-CD1 4.07Å; L257-L300 HydrophobicContact CD1-CD2 3.76Å; L270-L300 HydrophobicContact CD1-CD1 4.06Å; I273-L300 HydrophobicContact CG2-CD1 3.86Å; G274-L300 WeakPolarHBondContact CA-O 3.31Å; L277-L300 HydrophobicContact CD1-CD1 3.54Å; L277-L300 HydrophobicContact CD1-CG 4.1Å; L286-L300 HydrophobicContact CD2-CD2 4.28Å; L293-L300 HydrophobicContact CD1-CD2 4.47Å; L297-L300 PolarHBondContact O-N 3.05Å; R298-L300 VanDerWaalsContact C-N 3.28Å; R298-L300 PolarHBondContact O-N 2.81Å; L300-L304 WeakPolarHBondContact O-CD1 3.44Å
301L95.9Very high94.4Very high0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-92.5-30.9-168.4-62.7-169.6000114.4L286 L297 R298 P303 L304 L308 L311 Y325 L326 H331L286-L301 HydrophobicContact CD2-CD2 3.68Å; L297-L301 HydrophobicContact CD1-CD1 3.71Å; L297-L301 HydrophobicContact CD1-CG 3.98Å; L297-L301 HydrophobicContact CD2-CD1 4.36Å; L297-L301 HydrophobicContact CG-CD1 3.93Å; L297-L301 HydrophobicContact CG-CG 4.33Å; L297-L301 PolarHBondContact O-N 3.33Å; L297-L301 VanDerWaalsContact O-N 3.1Å; R298-L301 PolarHBondContact O-N 3.39Å; L301-P303 VanDerWaalsContact C-CD 3.4Å; L301-P303 VanDerWaalsContact C-N 3.31Å; L301-L304 HydrophobicContact CD2-CD2 4.47Å; L301-L304 WeakPolarHBondContact O-CB 3.36Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-L304 VanDerWaalsContact O-N 3.1Å; L301-L308 HydrophobicContact CD2-CD1 3.94Å; L301-L311 HydrophobicContact CD1-CD2 4.27Å; L301-Y325 VanDerWaalsContact C-OH 3.29Å; L301-Y325 HydrophobicContact CB-CE1 3.83Å; L301-Y325 WeakPolarHBondContact CB-OH 3.49Å; L301-Y325 HydrophobicContact CD1-CE1 4.31Å; L301-L326 HydrophobicContact CD1-CD1 4.34Å; L301-H331 PolarHBondContact O-NE2 3.05Å
302C95.3Very high94.7Very high63 Ų6341.9 Ų41.943%0.42622%0.219SC..THydrogen-bonded Turntrans-59-33.3-174.8-173.50000114.3R298 L304 Y325R298-C302 HydrophobicContact CG-CB 3.98Å; R298-C302 WeakPolarHBondContact O-CB 3.33Å; R298-C302 PolarHBondContact O-N 3.01Å; C302-L304 VanDerWaalsContact C-N 3.32Å; C302-L304 PolarHBondContact O-N 3.18Å; C302-Y325 WeakPolarHBondContact CA-OH 3.32Å; C302-Y325 HydrophobicContact CB-CE2 4.22Å; C302-Y325 PolarHBondContact N-OH 3.19Å
303P95.6Very high95Very high25 Ų2541.4 Ų41.416%0.16222%0.216CC..THydrogen-bonded Turntrans-71.6-20.5177.2-2336.5000114.8A278 R299 L301 N305A278-P303 HydrophobicContact CB-CB 4.02Å; A278-P303 WeakPolarHBondContact CB-O 3.2Å; R299-P303 WeakPolarHBondContact O-CD 3.36Å; L301-P303 VanDerWaalsContact C-CD 3.4Å; L301-P303 VanDerWaalsContact C-N 3.31Å; P303-N305 PolarHBondContact O-N 3.25Å
304L95Very high95.1Very high0 Ų041.6 Ų41.60%022%0.218CC..  trans-69.8120.7-174.6-81.462.1000110.2L277 L283 L300 L301 C302 L308 L330L277-L304 HydrophobicContact CB-CD1 3.85Å; L277-L304 HydrophobicContact CB-CG 4.47Å; L283-L304 HydrophobicContact CD2-CD2 4.22Å; L300-L304 WeakPolarHBondContact O-CD1 3.44Å; L301-L304 HydrophobicContact CD2-CD2 4.47Å; L301-L304 WeakPolarHBondContact O-CB 3.36Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-L304 VanDerWaalsContact O-N 3.1Å; C302-L304 VanDerWaalsContact C-N 3.32Å; C302-L304 PolarHBondContact O-N 3.18Å; L304-L308 HydrophobicContact CD2-CD1 4.2Å; L304-L308 HydrophobicContact CD2-CD2 4.07Å; L304-L308 HydrophobicContact CD2-CG 4.25Å; L304-L330 VanDerWaalsContact O-CD2 3.31Å; L304-L330 WeakPolarHBondContact O-CD2 3.41Å
305N90.9Very high95.3Very high137 Ų13741.5 Ų41.573%0.73322%0.215SC*.  trans-84.9-19.1177.3-64.8-55.8000113P303P303-N305 PolarHBondContact O-N 3.25Å
306T93.8Very high95.5Very high34 Ų3440 Ų4021%0.20920%0.199CC..SBendtrans-89.3123.4176.546.70000110.4G281 L283 L308G281-T306 VanDerWaalsContact O-CG2 3.31Å; G281-T306 WeakPolarHBondContact O-CG2 3.39Å; L283-T306 WeakPolarHBondContact O-CB 3.49Å; L283-T306 PolarHBondContact O-OG1 3.17Å; T306-L308 PolarHBondContact O-N 2.91Å
307P96.3Very high95.6Very high58 Ų5841.2 Ų41.238%0.37721%0.212SC..PPolyproline II helixtrans-62.7132.5174.4-20.631.6000111.6L330 S334P307-L330 HydrophobicContact CB-CD1 3.97Å; P307-L330 HydrophobicContact CG-CD1 3.85Å; P307-S334 WeakPolarHBondContact CB-OG 3.45Å
308L98.4Very high95.6Very high0 Ų041.7 Ų41.70%021%0.214CC..PPolyproline II helixtrans-78.3139.5178.6-65.9174.9000109.3T284 L286 L301 L304 T306 L311 H331 S334T284-L308 CarbonylContact O-C 3.34Å; T284-L308 WeakPolarHBondContact O-CA 3.44Å; L286-L308 HydrophobicContact CB-CD1 4.14Å; L286-L308 HydrophobicContact CB-CD2 4.27Å; L286-L308 HydrophobicContact CD2-CD1 4.36Å; L301-L308 HydrophobicContact CD2-CD1 3.94Å; L304-L308 HydrophobicContact CD2-CD1 4.2Å; L304-L308 HydrophobicContact CD2-CD2 4.07Å; L304-L308 HydrophobicContact CD2-CG 4.25Å; T306-L308 PolarHBondContact O-N 2.91Å; L308-L311 HydrophobicContact CD1-CD1 4.09Å; L308-H331 HydrophobicContact CB-CB 4.34Å; L308-H331 PolarHBondContact N-ND1 2.95Å; L308-S334 CarbonylContact O-C 3.57Å; L308-S334 PolarHBondContact O-OG 3.29Å
309K98.4Very high95.6Very high111 Ų11136.6 Ų36.648%0.48320%0.199SC..SBendtrans-101.3-37.8174.6-65.7-179.2-179.6176.20111.5T284 V336 H337T284-K309 PolarHBondContact O-N 2.9Å; K309-V336 HydrophobicContact CB-CB 4.48Å; K309-V336 HydrophobicContact CB-CG2 4.2Å; K309-V336 HydrophobicContact CG-CG2 4.47Å; K309-V336 WeakPolarHBondContact O-CA 3.48Å; K309-V336 PolarHBondContact O-N 2.9Å; K309-H337 PolarHBondContact O-N 3.27Å
310C98.6Very high95.8Very high18 Ų1840.3 Ų40.312%0.12221%0.213CC..EExtended strand (participates in β ladder)trans-118.6125.6175.7-54.80000108.9T284 E285 L286 Y287 H337T284-C310 PolarHBondContact O-N 3.45Å; E285-C310 WeakPolarHBondContact CA-O 3.17Å; E285-C310 HydrophobicContact CB-CB 3.81Å; E285-C310 HydrophobicContact CG-CB 3.77Å; L286-C310 PolarHBondContact N-O 2.96Å; Y287-C310 HydrophobicContact CE1-CB 4.38Å; Y287-C310 WeakPolarHBondContact OH-CB 3.41Å; C310-H337 WeakPolarHBondContact CA-O 3.34Å; C310-H337 HydrophobicContact CB-CB 4.08Å
311L98.6Very high95.9Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-137.3113.2179.6-178.958.3000109.4L286 L301 L308 L313 L326 L335 H337 D339L286-L311 HydrophobicContact CB-CD1 4.42Å; L286-L311 WeakPolarHBondContact O-CA 3.19Å; L301-L311 HydrophobicContact CD1-CD2 4.27Å; L308-L311 HydrophobicContact CD1-CD1 4.09Å; L311-L313 HydrophobicContact CD1-CD1 4.3Å; L311-L313 HydrophobicContact CD1-CD2 4.04Å; L311-L313 HydrophobicContact CD1-CG 3.95Å; L311-L313 HydrophobicContact CD2-CD1 3.87Å; L311-L313 HydrophobicContact CD2-CG 4.36Å; L311-L313 HydrophobicContact CG-CD1 3.97Å; L311-L313 HydrophobicContact CG-CG 3.89Å; L311-L326 HydrophobicContact CD2-CD1 3.69Å; L311-L326 HydrophobicContact CD2-CD2 4.3Å; L311-L335 HydrophobicContact CB-CD2 3.66Å; L311-L335 HydrophobicContact CD2-CD2 4.29Å; L311-H337 PolarHBondContact N-O 3.08Å; L311-D339 PolarHBondContact O-N 2.96Å
312E97.9Very high96Very high49 Ų4944.9 Ų44.923%0.22924%0.241CC..EExtended strand (participates in β ladder)trans-106.6116.4173.1-179.8-162.6120.500109.7L286 Y287 V288 A314 D339L286-E312 PolarHBondContact O-N 2.82Å; Y287-E312 HydrophobicContact CD1-CB 3.58Å; Y287-E312 HydrophobicContact CD1-CG 4.47Å; Y287-E312 WeakPolarHBondContact CD1-OE2 3.31Å; Y287-E312 HydrophobicContact CE1-CB 4.48Å; Y287-E312 HydrophobicContact CG-CB 4.23Å; V288-E312 PolarHBondContact N-O 3.48Å; V288-E312 VanDerWaalsContact N-O 3.09Å; E312-A314 HydrophobicContact CG-CB 4.29Å; E312-D339 HydrophobicContact CB-CB 4.18Å; E312-D339 HydrophobicContact CG-CB 3.92Å
313L97.4Very high96.1Very high1 Ų141.9 Ų41.91%0.00522%0.22CC..  trans-124.228.5177.9-62.3171.3000111V288 L293 L297 L311 N315 C316 L318 L326 D339 L340 H343V288-L313 HydrophobicContact CG2-CD2 3.61Å; L293-L313 HydrophobicContact CD1-CD2 4.18Å; L297-L313 HydrophobicContact CD1-CD1 4.18Å; L297-L313 HydrophobicContact CD1-CD2 3.8Å; L297-L313 HydrophobicContact CD2-CD1 3.97Å; L311-L313 HydrophobicContact CD1-CD1 4.3Å; L311-L313 HydrophobicContact CD1-CD2 4.04Å; L311-L313 HydrophobicContact CD1-CG 3.95Å; L311-L313 HydrophobicContact CD2-CD1 3.87Å; L311-L313 HydrophobicContact CD2-CG 4.36Å; L311-L313 HydrophobicContact CG-CD1 3.97Å; L311-L313 HydrophobicContact CG-CG 3.89Å; L313-N315 PolarHBondContact O-N 3.27Å; L313-C316 VanDerWaalsContact C-SG 3.59Å; L313-C316 HydrophobicContact CB-CB 4.49Å; L313-C316 WeakPolarHBondContact O-CB 3.39Å; L313-C316 PolarHBondContact O-N 3.4Å; L313-C316 PolarHBondContact O-SG 3.01Å; L313-L318 HydrophobicContact CB-CD1 3.97Å; L313-L318 HydrophobicContact CD1-CD1 3.93Å; L313-L326 HydrophobicContact CD1-CD2 3.98Å; L313-D339 PolarHBondContact N-O 2.83Å; L313-L340 HydrophobicContact CB-CD2 4.3Å; L313-L340 HydrophobicContact CD1-CD2 4.35Å; L313-H343 PolarHBondContact O-CE1 3.48Å
314A95.9Very high96.2Very high5 Ų544.2 Ų44.24%0.04123%0.234CC..THydrogen-bonded Turntrans-55.4136178.700000110.8G289 F290 E312 C316 S341G289-A314 CarbonylContact C-O 3.42Å; G289-A314 VanDerWaalsContact CA-O 3.25Å; G289-A314 WeakPolarHBondContact CA-O 3.32Å; F290-A314 PolarHBondContact N-O 3.01Å; E312-A314 HydrophobicContact CG-CB 4.29Å; A314-C316 PolarHBondContact O-N 3.32Å; A314-S341 CarbonylContact C-O 3.4Å; A314-S341 VanDerWaalsContact CA-O 3.31Å; A314-S341 WeakPolarHBondContact CA-O 3.16Å
315N94.3Very high96.3Very high52 Ų5245.9 Ų45.928%0.27824%0.241SC..THydrogen-bonded Turntrans51.733.1175.4-70.1-74000115.2F290 L313 C317 S341 G342F290-N315 HydrophobicContact CD1-CB 3.45Å; F290-N315 VanDerWaalsContact CD1-CB 3.45Å; F290-N315 HydrophobicContact CE1-CB 3.67Å; F290-N315 VanDerWaalsContact CE1-ND2 3.26Å; F290-N315 WeakPolarHBondContact CE1-ND2 3.45Å; F290-N315 HydrophobicContact CG-CB 4.05Å; F290-N315 HydrophobicContact CZ-CB 4.42Å; L313-N315 PolarHBondContact O-N 3.27Å; N315-C317 VanDerWaalsContact C-N 3.34Å; N315-S341 PolarHBondContact N-O 3.4Å; N315-G342 WeakPolarHBondContact OD1-CA 3.34Å
316C95.6Very high96.7Very high0 Ų039.3 Ų39.30%021%0.206CC..  trans-86.83.2179.9-75.20000115V288 S291 L293 L313 A314 L318 H343V288-C316 PolarHBondContact O-SG 2.93Å; S291-C316 WeakPolarHBondContact O-CA 3.48Å; S291-C316 VanDerWaalsContact O-CB 3.26Å; S291-C316 WeakPolarHBondContact O-CB 3.42Å; S291-C316 PolarHBondContact O-SG 3.44Å; L293-C316 HydrophobicContact CD1-CB 4.44Å; L293-C316 PolarHBondContact N-O 3.46Å; L313-C316 VanDerWaalsContact C-SG 3.59Å; L313-C316 HydrophobicContact CB-CB 4.49Å; L313-C316 WeakPolarHBondContact O-CB 3.39Å; L313-C316 PolarHBondContact O-N 3.4Å; L313-C316 PolarHBondContact O-SG 3.01Å; A314-C316 PolarHBondContact O-N 3.32Å; C316-L318 VanDerWaalsContact C-N 3.28Å; C316-L318 HydrophobicContact CB-CD2 3.89Å; C316-L318 HydrophobicContact CB-CG 4Å; C316-L318 PolarHBondContact O-N 3.14Å; C316-H343 PolarHBondContact N-CE1 2.64Å; C316-H343 PolarHBondContact N-NE2 3.36Å
317C94.3Very high96.9Very high68 Ų6837.7 Ų37.746%0.45920%0.196SC..  trans5540.4-174.5-59.50000113T292 T294 N315 H343T292-C317 HydrophobicContact CG2-CB 4.08Å; T294-C317 WeakPolarHBondContact CA-O 3.48Å; T294-C317 VanDerWaalsContact CB-O 3.32Å; T294-C317 WeakPolarHBondContact CB-O 3.08Å; T294-C317 WeakPolarHBondContact CG2-O 3.36Å; T294-C317 WeakPolarHBondContact OG1-CB 3.49Å; T294-C317 PolarHBondContact OG1-O 3Å; N315-C317 VanDerWaalsContact C-N 3.34Å; C317-H343 PolarHBondContact N-NE2 3.27Å
318L95.9Very high96.9Very high10 Ų1038.8 Ų38.85%0.05220%0.199CC..  trans-63.6140.5-178.3-59.1179.2000111.8L293 L297 L313 C316 D322 M323 L340 H343L293-L318 HydrophobicContact CB-CD2 4.45Å; L297-L318 HydrophobicContact CD2-CD2 4.22Å; L313-L318 HydrophobicContact CB-CD1 3.97Å; L313-L318 HydrophobicContact CD1-CD1 3.93Å; C316-L318 VanDerWaalsContact C-N 3.28Å; C316-L318 HydrophobicContact CB-CD2 3.89Å; C316-L318 HydrophobicContact CB-CG 4Å; C316-L318 PolarHBondContact O-N 3.14Å; L318-D322 HydrophobicContact CB-CB 4.31Å; L318-D322 HydrophobicContact CD2-CB 4.07Å; L318-M323 HydrophobicContact CB-CG 4.43Å; L318-M323 HydrophobicContact CD1-SD 3.85Å; L318-L340 HydrophobicContact CD1-CD2 4.04Å; L318-H343 PolarHBondContact N-CD2 2.65Å; L318-H343 PolarHBondContact N-NE2 3.38Å
319N94.7Very high96.9Very high51 Ų5139.3 Ų39.327%0.27320%0.202SC..  trans-110.3-177174.871.433.6000112.4T294 G295 V321 D322 M323T294-N319 HydrophobicContact CG2-CB 4.22Å; G295-N319 WeakPolarHBondContact CA-ND2 3.44Å; G295-N319 PolarHBondContact N-ND2 2.71Å; G295-N319 VanDerWaalsContact N-ND2 3.19Å; N319-V321 VanDerWaalsContact C-N 3.27Å; N319-V321 PolarHBondContact O-N 3.11Å; N319-V321 WeakPolarHBondContact OD1-CA 3.46Å; N319-V321 VanDerWaalsContact OD1-CB 3.28Å; N319-V321 WeakPolarHBondContact OD1-CB 3.4Å; N319-V321 PolarHBondContact OD1-N 3.32Å; N319-D322 PolarHBondContact N-OD2 3.3Å; N319-D322 PolarHBondContact O-N 3.26Å; N319-D322 PolarHBondContact OD1-N 2.99Å; N319-D322 VanDerWaalsContact OD1-N 3.14Å; N319-D322 PolarHBondContact OD1-OD2 3.03Å; N319-M323 PolarHBondContact O-N 3.39Å; N319-M323 VanDerWaalsContact O-N 3.12Å
320R95.7Very high96.7Very high163 Ų16337.9 Ų37.962%0.61520%0.199SC*.Hα-helixtrans-58.2-35.5179.5-70.8-178.1-178.8-145-3.1113.5T324 G347 S348 F349R320-T324 WeakPolarHBondContact O-CB 3.21Å; R320-T324 PolarHBondContact O-N 3.4Å; R320-T324 PolarHBondContact O-OG1 3.28Å; R320-G347 PolarHBondContact NH2-O 3.17Å; R320-S348 WeakPolarHBondContact CD-O 3.48Å; R320-S348 WeakPolarHBondContact CG-O 3.31Å; R320-S348 PolarHBondContact NE-O 3.17Å; R320-S348 PolarHBondContact NH2-O 3.3Å; R320-F349 HydrophobicContact CG-CB 4.36Å
321V96.1Very high96.6Very high96 Ų9637 Ų3758%0.58219%0.194SC*.Hα-helixtrans-68.3-45.4-179.9-179.50000110N319 T324 Y325N319-V321 VanDerWaalsContact C-N 3.27Å; N319-V321 PolarHBondContact O-N 3.11Å; N319-V321 WeakPolarHBondContact OD1-CA 3.46Å; N319-V321 VanDerWaalsContact OD1-CB 3.28Å; N319-V321 WeakPolarHBondContact OD1-CB 3.4Å; N319-V321 PolarHBondContact OD1-N 3.32Å; V321-T324 PolarHBondContact O-N 3.41Å; V321-Y325 WeakPolarHBondContact O-CB 3.45Å; V321-Y325 PolarHBondContact O-N 3.15Å
322D97.1Very high96.5Very high2 Ų237.1 Ų37.11%0.01119%0.194CC..Hα-helixtrans-60.2-49.4178.3-59.1-50.3000111.5G295 H296 L297 L318 N319 T324 Y325 L326G295-D322 WeakPolarHBondContact CA-OD1 3.5Å; G295-D322 VanDerWaalsContact N-CG 3.27Å; G295-D322 PolarHBondContact N-OD1 3.3Å; G295-D322 VanDerWaalsContact N-OD1 3.09Å; G295-D322 PolarHBondContact N-OD2 3.36Å; H296-D322 PolarHBondContact N-OD1 3.03Å; L297-D322 HydrophobicContact CB-CB 3.83Å; L297-D322 WeakPolarHBondContact CB-OD1 3.48Å; L297-D322 HydrophobicContact CD2-CB 4.05Å; L297-D322 PolarHBondContact N-OD1 3.06Å; L297-D322 VanDerWaalsContact N-OD1 3.1Å; L318-D322 HydrophobicContact CB-CB 4.31Å; L318-D322 HydrophobicContact CD2-CB 4.07Å; N319-D322 PolarHBondContact N-OD2 3.3Å; N319-D322 PolarHBondContact O-N 3.26Å; N319-D322 PolarHBondContact OD1-N 2.99Å; N319-D322 VanDerWaalsContact OD1-N 3.14Å; N319-D322 PolarHBondContact OD1-OD2 3.03Å; D322-T324 PolarHBondContact O-N 3.26Å; D322-Y325 WeakPolarHBondContact O-CB 3.44Å; D322-Y325 PolarHBondContact O-N 2.99Å; D322-L326 PolarHBondContact O-N 3.17Å
323M97.7Very high96.5Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-69.5-35.2-178.6-72.7-60.2-60.100112.6L318 N319 Y325 L326 A327 L340 F349 A352 L356L318-M323 HydrophobicContact CB-CG 4.43Å; L318-M323 HydrophobicContact CD1-SD 3.85Å; N319-M323 PolarHBondContact O-N 3.39Å; N319-M323 VanDerWaalsContact O-N 3.12Å; M323-Y325 VanDerWaalsContact C-N 3.34Å; M323-L326 PolarHBondContact O-N 3.02Å; M323-L326 HydrophobicContact SD-CD2 4.16Å; M323-A327 VanDerWaalsContact O-CB 3.31Å; M323-A327 WeakPolarHBondContact O-CB 3.31Å; M323-A327 PolarHBondContact O-N 3.41Å; M323-L340 HydrophobicContact CE-CD1 3.82Å; M323-L340 HydrophobicContact CE-CD2 4.42Å; M323-L340 HydrophobicContact SD-CD2 4.12Å; M323-F349 HydrophobicContact CB-CB 4.02Å; M323-F349 HydrophobicContact CB-CD1 4.39Å; M323-F349 HydrophobicContact CB-CD2 4.12Å; M323-F349 HydrophobicContact CB-CG 3.93Å; M323-F349 HydrophobicContact CE-CD2 3.98Å; M323-F349 HydrophobicContact CE-CE2 3.87Å; M323-F349 HydrophobicContact CG-CB 4.25Å; M323-F349 HydrophobicContact CG-CD1 3.74Å; M323-F349 HydrophobicContact CG-CD2 3.62Å; M323-F349 HydrophobicContact CG-CE1 3.9Å; M323-F349 HydrophobicContact CG-CE2 3.75Å; M323-F349 HydrophobicContact CG-CG 3.6Å; M323-F349 HydrophobicContact CG-CZ 3.89Å; M323-F349 HydrophobicContact SD-CD2 4.4Å; M323-F349 HydrophobicContact SD-CE2 4.11Å; M323-F349 HydrophobicContact SD-CZ 4.35Å; M323-A352 HydrophobicContact CB-CB 3.87Å; M323-L356 HydrophobicContact CE-CD2 3.96Å
324T97.7Very high96.5Very high74 Ų7441.2 Ų41.245%0.45422%0.216SC..Hα-helixtrans-64.3-41.9172.5-60.20000110.8R320 V321 D322 N328R320-T324 WeakPolarHBondContact O-CB 3.21Å; R320-T324 PolarHBondContact O-N 3.4Å; R320-T324 PolarHBondContact O-OG1 3.28Å; V321-T324 PolarHBondContact O-N 3.41Å; D322-T324 PolarHBondContact O-N 3.26Å; T324-N328 PolarHBondContact O-N 2.99Å; T324-N328 PolarHBondContact O-ND2 3.4Å
325Y97.9Very high96.6Very high34 Ų3441 Ų4113%0.13321%0.214CC..Hα-helixtrans-60.3-52.7172.8162.4-97.4000110.9L297 R298 L301 C302 V321 D322 M323 A327 N328 S329L297-Y325 HydrophobicContact CG-CD1 4.48Å; R298-Y325 HydrophobicContact CB-CD1 3.98Å; R298-Y325 HydrophobicContact CB-CD2 3.8Å; R298-Y325 HydrophobicContact CB-CE1 4.31Å; R298-Y325 HydrophobicContact CB-CE2 4.11Å; R298-Y325 HydrophobicContact CB-CG 3.72Å; R298-Y325 HydrophobicContact CG-CD2 3.56Å; R298-Y325 HydrophobicContact CG-CE2 3.65Å; R298-Y325 HydrophobicContact CG-CG 4.05Å; L301-Y325 VanDerWaalsContact C-OH 3.29Å; L301-Y325 HydrophobicContact CB-CE1 3.83Å; L301-Y325 WeakPolarHBondContact CB-OH 3.49Å; L301-Y325 HydrophobicContact CD1-CE1 4.31Å; C302-Y325 WeakPolarHBondContact CA-OH 3.32Å; C302-Y325 HydrophobicContact CB-CE2 4.22Å; C302-Y325 PolarHBondContact N-OH 3.19Å; V321-Y325 WeakPolarHBondContact O-CB 3.45Å; V321-Y325 PolarHBondContact O-N 3.15Å; D322-Y325 WeakPolarHBondContact O-CB 3.44Å; D322-Y325 PolarHBondContact O-N 2.99Å; M323-Y325 VanDerWaalsContact C-N 3.34Å; Y325-A327 VanDerWaalsContact C-N 3.32Å; Y325-A327 PolarHBondContact O-N 2.98Å; Y325-N328 CarbonylContact O-C 3.47Å; Y325-N328 PolarHBondContact O-N 2.98Å; Y325-S329 WeakPolarHBondContact O-CB 3.39Å; Y325-S329 PolarHBondContact O-N 3.07Å
326L98Very high96.8Very high0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-56.3-47-176.3-177.559.8000111.2L297 L301 L311 L313 D322 M323 N328 S329 S332 L356L297-L326 HydrophobicContact CD2-CB 4.22Å; L301-L326 HydrophobicContact CD1-CD1 4.34Å; L311-L326 HydrophobicContact CD2-CD1 3.69Å; L311-L326 HydrophobicContact CD2-CD2 4.3Å; L313-L326 HydrophobicContact CD1-CD2 3.98Å; D322-L326 PolarHBondContact O-N 3.17Å; M323-L326 PolarHBondContact O-N 3.02Å; M323-L326 HydrophobicContact SD-CD2 4.16Å; L326-N328 PolarHBondContact O-N 3.04Å; L326-N328 VanDerWaalsContact O-N 3.13Å; L326-S329 WeakPolarHBondContact O-CB 3.35Å; L326-S329 PolarHBondContact O-N 2.77Å; L326-S329 VanDerWaalsContact O-N 3.14Å; L326-S329 PolarHBondContact O-OG 2.84Å; L326-S332 WeakPolarHBondContact O-CB 3.31Å; L326-L356 HydrophobicContact CD2-CD2 3.79Å; L326-L356 HydrophobicContact CG-CD1 4.18Å; L326-L356 HydrophobicContact CG-CD2 4.08Å
327A97.8Very high97Very high0 Ų042.9 Ų42.90%022%0.224CC..THydrogen-bonded Turntrans-64.9-12177.600000115.1M323 Y325 A352 K355 L356 R359M323-A327 VanDerWaalsContact O-CB 3.31Å; M323-A327 WeakPolarHBondContact O-CB 3.31Å; M323-A327 PolarHBondContact O-N 3.41Å; Y325-A327 VanDerWaalsContact C-N 3.32Å; Y325-A327 PolarHBondContact O-N 2.98Å; A327-A352 WeakPolarHBondContact CB-O 3.23Å; A327-K355 HydrophobicContact CB-CB 4.32Å; A327-K355 HydrophobicContact CB-CD 4.43Å; A327-K355 HydrophobicContact CB-CG 4.23Å; A327-L356 HydrophobicContact CB-CB 4Å; A327-R359 WeakPolarHBondContact O-CD 3.49Å
328N97.6Very high97.2Very high81 Ų8139.6 Ų39.643%0.43320%0.202SC..THydrogen-bonded Turntrans-117.71.1176.2-68.2-75.4000113.2T324 Y325 L326 K355T324-N328 PolarHBondContact O-N 2.99Å; T324-N328 PolarHBondContact O-ND2 3.4Å; Y325-N328 CarbonylContact O-C 3.47Å; Y325-N328 PolarHBondContact O-N 2.98Å; L326-N328 PolarHBondContact O-N 3.04Å; L326-N328 VanDerWaalsContact O-N 3.13Å; N328-K355 WeakPolarHBondContact OD1-CE 3.14Å; N328-K355 PolarHBondContact OD1-NZ 3.39Å
329S96.9Very high97.3Very high10 Ų1040 Ų407%0.0721%0.205CC..SBendtrans-77162.7-178.972.60000111.5Y325 L326 H331 S332Y325-S329 WeakPolarHBondContact O-CB 3.39Å; Y325-S329 PolarHBondContact O-N 3.07Å; L326-S329 WeakPolarHBondContact O-CB 3.35Å; L326-S329 PolarHBondContact O-N 2.77Å; L326-S329 VanDerWaalsContact O-N 3.14Å; L326-S329 PolarHBondContact O-OG 2.84Å; S329-H331 PolarHBondContact O-N 3.48Å; S329-H331 PolarHBondContact OG-CD2 3.42Å; S329-H331 PolarHBondContact OG-N 3.05Å; S329-S332 WeakPolarHBondContact O-CB 3.44Å; S329-S332 PolarHBondContact O-N 3Å; S329-S332 PolarHBondContact O-OG 2.89Å
330L95.3Very high97.4Very high82 Ų8237.6 Ų37.643%0.42919%0.192SC..G310 helixtrans-60.9-20.8173.167.993.9000113.3L304 P307L304-L330 VanDerWaalsContact O-CD2 3.31Å; L304-L330 WeakPolarHBondContact O-CD2 3.41Å; P307-L330 HydrophobicContact CB-CD1 3.97Å; P307-L330 HydrophobicContact CG-CD1 3.85Å
331H96.8Very high97.5Very high0 Ų030.2 Ų30.20%017%0.165CC..G310 helixtrans-76.9-24.6179.8-41.4-67.6000112.1L301 L308 S329 E333 S334 L335L301-H331 PolarHBondContact O-NE2 3.05Å; L308-H331 HydrophobicContact CB-CB 4.34Å; L308-H331 PolarHBondContact N-ND1 2.95Å; S329-H331 PolarHBondContact O-N 3.48Å; S329-H331 PolarHBondContact OG-CD2 3.42Å; S329-H331 PolarHBondContact OG-N 3.05Å; H331-E333 PolarHBondContact O-N 2.92Å; H331-S334 PolarHBondContact O-N 2.86Å; H331-S334 PolarHBondContact O-OG 3.46Å; H331-L335 WeakPolarHBondContact O-CG 3.49Å; H331-L335 PolarHBondContact O-N 3.18Å
332S96.8Very high97.4Very high1 Ų126.9 Ų26.91%0.00715%0.15CC..G310 helixtrans-59.8-22.3-168.859.80000115.6L326 S329 R359 C360L326-S332 WeakPolarHBondContact O-CB 3.31Å; S329-S332 WeakPolarHBondContact O-CB 3.44Å; S329-S332 PolarHBondContact O-N 3Å; S329-S332 PolarHBondContact O-OG 2.89Å; S332-R359 CarbonylContact O-C 3.55Å; S332-R359 WeakPolarHBondContact OG-CD 3.4Å; S332-R359 PolarHBondContact OG-NE 2.95Å; S332-C360 WeakPolarHBondContact O-CA 3.49Å; S332-C360 WeakPolarHBondContact O-CB 3.37Å; S332-C360 PolarHBondContact O-N 3.38Å; S332-C360 VanDerWaalsContact O-N 3.1Å
333E96.7Very high97.4Very high111 Ų11127.3 Ų27.352%0.51915%0.151SC..G310 helixtrans-99.1-9.8180-66.1179.1-172.900113.4H331 R359 T363H331-E333 PolarHBondContact O-N 2.92Å; E333-R359 HydrophobicContact CG-CB 4.17Å; E333-R359 IonicContact OE1-CZ 3.26Å; E333-R359 IonicContact OE1-NE 3.86Å; E333-R359 PolarHBondContact OE1-NE 3.05Å; E333-R359 IonicContact OE1-NH2 3.95Å; E333-R359 PolarHBondContact OE1-NH2 3.04Å; E333-T363 WeakPolarHBondContact O-CG2 3.46Å; E333-T363 PolarHBondContact O-OG1 2.95Å
334S97.4Very high97.2Very high25 Ų2530.1 Ų30.118%0.17517%0.167CC..THydrogen-bonded Turntrans-106-7.5-175.759.20000114P307 L308 H331 V336P307-S334 WeakPolarHBondContact CB-OG 3.45Å; L308-S334 CarbonylContact O-C 3.57Å; L308-S334 PolarHBondContact O-OG 3.29Å; H331-S334 PolarHBondContact O-N 2.86Å; H331-S334 PolarHBondContact O-OG 3.46Å; S334-V336 PolarHBondContact O-N 3.29Å
335L98.5Very high97Very high0 Ų026.6 Ų26.60%015%0.145CC..  trans-64123.1-177.2-68.3170.6000110.9L311 H331 L338 L356 C360 T363 L364L311-L335 HydrophobicContact CB-CD2 3.66Å; L311-L335 HydrophobicContact CD2-CD2 4.29Å; H331-L335 WeakPolarHBondContact O-CG 3.49Å; H331-L335 PolarHBondContact O-N 3.18Å; L335-L338 HydrophobicContact CD1-CD1 4.29Å; L335-L338 HydrophobicContact CD1-CD2 4.46Å; L335-L356 HydrophobicContact CD1-CD1 4.08Å; L335-C360 HydrophobicContact CB-CB 4.01Å; L335-T363 CarbonylContact O-C 3.49Å; L335-T363 WeakPolarHBondContact O-CB 3.26Å; L335-T363 PolarHBondContact O-OG1 2.67Å; L335-L364 WeakPolarHBondContact O-CA 3.13Å; L335-L364 PolarHBondContact O-N 2.88Å
336V98.5Very high96.8Very high48 Ų4825.9 Ų25.929%0.29114%0.143SC..SBendtrans-102.9-40.7175.1178.20000109.8K309 S334 T365 T366K309-V336 HydrophobicContact CB-CB 4.48Å; K309-V336 HydrophobicContact CB-CG2 4.2Å; K309-V336 HydrophobicContact CG-CG2 4.47Å; K309-V336 WeakPolarHBondContact O-CA 3.48Å; K309-V336 PolarHBondContact O-N 2.9Å; S334-V336 PolarHBondContact O-N 3.29Å; V336-T365 HydrophobicContact CG1-CG2 4.12Å; V336-T365 WeakPolarHBondContact CG1-OG1 3.44Å; V336-T365 PolarHBondContact O-N 3.17Å; V336-T365 PolarHBondContact O-OG1 3.08Å; V336-T366 PolarHBondContact O-N 3.35Å
337H98.7Very high96.5Very high44 Ų4427.8 Ų27.820%0.20416%0.162CC..EExtended strand (participates in β ladder)trans-123.9125.5175.8-176.4103.3000109.5K309 C310 L311 T366K309-H337 PolarHBondContact O-N 3.27Å; C310-H337 WeakPolarHBondContact CA-O 3.34Å; C310-H337 HydrophobicContact CB-CB 4.08Å; L311-H337 PolarHBondContact N-O 3.08Å; H337-T366 WeakPolarHBondContact CA-O 3.24Å; H337-T366 WeakPolarHBondContact CE1-CG2 3.08Å; H337-T366 VanDerWaalsContact ND1-CB 3.31Å; H337-T366 WeakPolarHBondContact ND1-CB 3.25Å; H337-T366 WeakPolarHBondContact ND1-CG2 3Å
338L98.6Very high96.2Very high0 Ų029.8 Ų29.80%018%0.176CC..EExtended strand (participates in β ladder)trans-132.6126.2178.117762.3000110.3L335 L340 L356 L364 T366 L367 V368L335-L338 HydrophobicContact CD1-CD1 4.29Å; L335-L338 HydrophobicContact CD1-CD2 4.46Å; L338-L340 HydrophobicContact CD1-CD1 4.49Å; L338-L340 HydrophobicContact CD1-CD2 4.09Å; L338-L340 HydrophobicContact CD1-CG 3.98Å; L338-L340 HydrophobicContact CD2-CD1 4Å; L338-L340 HydrophobicContact CD2-CG 4.29Å; L338-L340 HydrophobicContact CG-CD1 4.3Å; L338-L340 HydrophobicContact CG-CG 4.03Å; L338-L356 HydrophobicContact CD2-CD2 3.71Å; L338-L356 HydrophobicContact CD2-CG 4.32Å; L338-L364 HydrophobicContact CB-CD1 3.91Å; L338-T366 PolarHBondContact N-O 3.35Å; L338-T366 VanDerWaalsContact N-O 3.07Å; L338-L367 HydrophobicContact CB-CD1 4.36Å; L338-L367 HydrophobicContact CD2-CD1 4.3Å; L338-L367 HydrophobicContact CG-CD1 4.37Å; L338-L367 WeakPolarHBondContact O-CA 2.98Å; L338-V368 PolarHBondContact O-N 2.6Å
339D98.5Very high96.1Very high19 Ų1926.3 Ų26.310%0.10216%0.157CC..EExtended strand (participates in β ladder)trans-119.4121171.9-172.3-14.5000110.2L311 E312 L313 S341 V368L311-D339 PolarHBondContact O-N 2.96Å; E312-D339 HydrophobicContact CB-CB 4.18Å; E312-D339 HydrophobicContact CG-CB 3.92Å; L313-D339 PolarHBondContact N-O 2.83Å; D339-S341 WeakPolarHBondContact OD1-CB 3.36Å; D339-S341 PolarHBondContact OD1-N 2.93Å; D339-S341 PolarHBondContact OD1-OG 3.44Å; D339-V368 HydrophobicContact CB-CB 3.86Å; D339-V368 HydrophobicContact CB-CG1 4.49Å; D339-V368 HydrophobicContact CB-CG2 4.36Å
340L97.9Very high96Very high0 Ų027.4 Ų27.40%017%0.165CC..  trans-123.322.5176.8-64174000112L313 L318 M323 L338 H343 I345 F353 L356 V368 L369 C372L313-L340 HydrophobicContact CB-CD2 4.3Å; L313-L340 HydrophobicContact CD1-CD2 4.35Å; L318-L340 HydrophobicContact CD1-CD2 4.04Å; M323-L340 HydrophobicContact CE-CD1 3.82Å; M323-L340 HydrophobicContact CE-CD2 4.42Å; M323-L340 HydrophobicContact SD-CD2 4.12Å; L338-L340 HydrophobicContact CD1-CD1 4.49Å; L338-L340 HydrophobicContact CD1-CD2 4.09Å; L338-L340 HydrophobicContact CD1-CG 3.98Å; L338-L340 HydrophobicContact CD2-CD1 4Å; L338-L340 HydrophobicContact CD2-CG 4.29Å; L338-L340 HydrophobicContact CG-CD1 4.3Å; L338-L340 HydrophobicContact CG-CG 4.03Å; L340-H343 PolarHBondContact O-ND1 2.76Å; L340-I345 HydrophobicContact CB-CD1 3.91Å; L340-I345 HydrophobicContact CD1-CD1 4.24Å; L340-F353 HydrophobicContact CD1-CD2 3.97Å; L340-F353 HydrophobicContact CD1-CE2 4.17Å; L340-L356 HydrophobicContact CD1-CD2 4.45Å; L340-V368 PolarHBondContact N-O 2.94Å; L340-V368 VanDerWaalsContact N-O 3.08Å; L340-L369 HydrophobicContact CB-CD2 3.92Å; L340-C372 PolarHBondContact O-SG 3.41Å
341S96.9Very high96.1Very high8 Ų829.4 Ų29.46%0.05618%0.18CC..THydrogen-bonded Turntrans-54.1152.1-177.5-56.60000112.7A314 N315 D339 H343 V368 E370A314-S341 CarbonylContact C-O 3.4Å; A314-S341 VanDerWaalsContact CA-O 3.31Å; A314-S341 WeakPolarHBondContact CA-O 3.16Å; N315-S341 PolarHBondContact N-O 3.4Å; D339-S341 WeakPolarHBondContact OD1-CB 3.36Å; D339-S341 PolarHBondContact OD1-N 2.93Å; D339-S341 PolarHBondContact OD1-OG 3.44Å; S341-H343 PolarHBondContact O-CE1 3.16Å; S341-H343 PolarHBondContact O-N 3.01Å; S341-H343 PolarHBondContact O-ND1 3.48Å; S341-V368 WeakPolarHBondContact OG-CG1 3.23Å; S341-E370 CarbonylContact C-O 3.36Å; S341-E370 WeakPolarHBondContact CA-O 3.38Å; S341-E370 WeakPolarHBondContact CB-O 3.39Å; S341-E370 PolarHBondContact OG-N 2.89Å
342G94.6Very high96.1Very high25 Ų2529.9 Ų29.926%0.25819%0.185SC..THydrogen-bonded Turntrans74.917.5178.200000115.4N315 E370 E371N315-G342 WeakPolarHBondContact OD1-CA 3.34Å; G342-E370 PolarHBondContact N-O 2.92Å; G342-E371 WeakPolarHBondContact CA-O 3.06Å
343H95.6Very high96.1Very high11 Ų1129.9 Ų29.95%0.05119%0.185CC..SBendtrans-120.5137.8175.2-58.683.7000111.3L313 C316 C317 L318 L340 S341 I345 F349 C372L313-H343 PolarHBondContact O-CE1 3.48Å; C316-H343 PolarHBondContact N-CE1 2.64Å; C316-H343 PolarHBondContact N-NE2 3.36Å; C317-H343 PolarHBondContact N-NE2 3.27Å; L318-H343 PolarHBondContact N-CD2 2.65Å; L318-H343 PolarHBondContact N-NE2 3.38Å; L340-H343 PolarHBondContact O-ND1 2.76Å; S341-H343 PolarHBondContact O-CE1 3.16Å; S341-H343 PolarHBondContact O-N 3.01Å; S341-H343 PolarHBondContact O-ND1 3.48Å; H343-I345 VanDerWaalsContact C-N 3.25Å; H343-I345 HydrophobicContact CB-CD1 4.32Å; H343-I345 PolarHBondContact O-N 2.82Å; H343-F349 HydrophobicContact CB-CE1 4.13Å; H343-F349 HydrophobicContact CB-CZ 3.65Å; H343-C372 CarbonylContact O-C 3.25Å; H343-C372 WeakPolarHBondContact O-CA 3.32Å; H343-C372 WeakPolarHBondContact O-CB 3.01Å; H343-C372 VanDerWaalsContact O-O 3.11Å
344D93.9Very high96.1Very high59 Ų5928.4 Ų28.432%0.31618%0.178SC..  trans-69.883.1166.4173.220.7000110.3F346 G347 S348D344-F346 VanDerWaalsContact C-N 3.33Å; D344-F346 PolarHBondContact O-N 3.45Å; D344-G347 PolarHBondContact OD1-N 2.8Å; D344-G347 VanDerWaalsContact OD2-CA 3.23Å; D344-G347 WeakPolarHBondContact OD2-CA 3.36Å; D344-S348 WeakPolarHBondContact O-CA 3.29Å; D344-S348 WeakPolarHBondContact O-CB 3.32Å; D344-S348 PolarHBondContact O-N 3.36Å; D344-S348 PolarHBondContact O-OG 3.12Å; D344-S348 VanDerWaalsContact O-OG 3.13Å
345I94.1Very high96.2Very high0 Ų031.4 Ų31.40%019%0.187CC..Hα-helixtrans-56.6-48.3-173.6-60.7-70.3000110.6L340 H343 F349 S350 F353 L369 C372L340-I345 HydrophobicContact CB-CD1 3.91Å; L340-I345 HydrophobicContact CD1-CD1 4.24Å; H343-I345 VanDerWaalsContact C-N 3.25Å; H343-I345 HydrophobicContact CB-CD1 4.32Å; H343-I345 PolarHBondContact O-N 2.82Å; I345-F349 HydrophobicContact CB-CE2 4.36Å; I345-F349 HydrophobicContact CD1-CE2 3.53Å; I345-F349 HydrophobicContact CD1-CZ 3.89Å; I345-F349 HydrophobicContact CG1-CE2 4.46Å; I345-F349 HydrophobicContact CG2-CE2 4.3Å; I345-F349 CarbonylContact O-C 3.59Å; I345-F349 PolarHBondContact O-N 3.31Å; I345-S350 PolarHBondContact O-N 3.08Å; I345-F353 HydrophobicContact CD1-CD2 4.4Å; I345-F353 HydrophobicContact CG2-CB 3.85Å; I345-F353 HydrophobicContact CG2-CD1 3.59Å; I345-F353 HydrophobicContact CG2-CD2 3.82Å; I345-F353 HydrophobicContact CG2-CE1 4.03Å; I345-F353 HydrophobicContact CG2-CE2 4.24Å; I345-F353 HydrophobicContact CG2-CG 3.46Å; I345-F353 VanDerWaalsContact CG2-CG 3.46Å; I345-F353 HydrophobicContact CG2-CZ 4.32Å; I345-L369 HydrophobicContact CD1-CD2 3.98Å; I345-L369 HydrophobicContact CG1-CD2 4.24Å; I345-C372 HydrophobicContact CG1-CB 3.84Å
346F93.9Very high96.2Very high20 Ų2031.4 Ų31.49%0.08819%0.187CC..Hα-helixtrans-83.5-34.1-169.6-70-73.5000113D344 F353 I374 H378 T381 F382D344-F346 VanDerWaalsContact C-N 3.33Å; D344-F346 PolarHBondContact O-N 3.45Å; F346-F353 HydrophobicContact CZ-CE1 4.25Å; F346-I374 HydrophobicContact CD2-CG1 4.21Å; F346-I374 HydrophobicContact CE2-CD1 4.31Å; F346-I374 HydrophobicContact CE2-CG1 3.98Å; F346-I374 HydrophobicContact CE2-CG2 4.12Å; F346-H378 HydrophobicContact CB-CB 4.49Å; F346-H378 HydrophobicContact CD2-CB 3.77Å; F346-H378 AromaticContact CD2-CG 3.85Å; F346-H378 AromaticContact CD2-ND1 3.99Å; F346-H378 HydrophobicContact CE2-CB 4.14Å; F346-H378 HydrophobicContact CG-CB 3.99Å; F346-H378 AromaticContact CG-CG 3.82Å; F346-T381 HydrophobicContact CD1-CG2 3.93Å; F346-T381 HydrophobicContact CE1-CG2 3.7Å; F346-F382 HydrophobicContact CE1-CB 4.44Å; F346-F382 HydrophobicContact CE2-CB 4.06Å; F346-F382 HydrophobicContact CE2-CD2 4.18Å; F346-F382 HydrophobicContact CE2-CG 4.39Å; F346-F382 HydrophobicContact CZ-CB 3.57Å; F346-F382 AromaticContact CZ-CD2 3.82Å; F346-F382 HydrophobicContact CZ-CD2 3.82Å; F346-F382 HydrophobicContact CZ-CG 4.1Å
347G91.7Very high96.1Very high40 Ų4029.1 Ų29.141%0.41217%0.173SC..Hα-helixtrans-77.4-34.3172.400000113.2R320 D344R320-G347 PolarHBondContact NH2-O 3.17Å; D344-G347 PolarHBondContact OD1-N 2.8Å; D344-G347 VanDerWaalsContact OD2-CA 3.23Å; D344-G347 WeakPolarHBondContact OD2-CA 3.36Å
348S91.7Very high96.1Very high42 Ų4229.8 Ų29.829%0.29418%0.183SC..Hα-helixtrans-88.8-46.3-174.2-60.10000113.9R320 D344R320-S348 WeakPolarHBondContact CD-O 3.48Å; R320-S348 WeakPolarHBondContact CG-O 3.31Å; R320-S348 PolarHBondContact NE-O 3.17Å; R320-S348 PolarHBondContact NH2-O 3.3Å; D344-S348 WeakPolarHBondContact O-CA 3.29Å; D344-S348 WeakPolarHBondContact O-CB 3.32Å; D344-S348 PolarHBondContact O-N 3.36Å; D344-S348 PolarHBondContact O-OG 3.12Å; D344-S348 VanDerWaalsContact O-OG 3.13Å
349F94.8Very high96.1Very high8 Ų834 Ų344%0.03520%0.199CC..Hα-helixtrans-15436.8-167.847-108000115.6R320 M323 H343 I345 T351 A352 F353R320-F349 HydrophobicContact CG-CB 4.36Å; M323-F349 HydrophobicContact CB-CB 4.02Å; M323-F349 HydrophobicContact CB-CD1 4.39Å; M323-F349 HydrophobicContact CB-CD2 4.12Å; M323-F349 HydrophobicContact CB-CG 3.93Å; M323-F349 HydrophobicContact CE-CD2 3.98Å; M323-F349 HydrophobicContact CE-CE2 3.87Å; M323-F349 HydrophobicContact CG-CB 4.25Å; M323-F349 HydrophobicContact CG-CD1 3.74Å; M323-F349 HydrophobicContact CG-CD2 3.62Å; M323-F349 HydrophobicContact CG-CE1 3.9Å; M323-F349 HydrophobicContact CG-CE2 3.75Å; M323-F349 HydrophobicContact CG-CG 3.6Å; M323-F349 HydrophobicContact CG-CZ 3.89Å; M323-F349 HydrophobicContact SD-CD2 4.4Å; M323-F349 HydrophobicContact SD-CE2 4.11Å; M323-F349 HydrophobicContact SD-CZ 4.35Å; H343-F349 HydrophobicContact CB-CE1 4.13Å; H343-F349 HydrophobicContact CB-CZ 3.65Å; I345-F349 HydrophobicContact CB-CE2 4.36Å; I345-F349 HydrophobicContact CD1-CE2 3.53Å; I345-F349 HydrophobicContact CD1-CZ 3.89Å; I345-F349 HydrophobicContact CG1-CE2 4.46Å; I345-F349 HydrophobicContact CG2-CE2 4.3Å; I345-F349 CarbonylContact O-C 3.59Å; I345-F349 PolarHBondContact O-N 3.31Å; F349-T351 VanDerWaalsContact C-N 3.33Å; F349-T351 PolarHBondContact O-N 2.99Å; F349-T351 VanDerWaalsContact O-N 3.14Å; F349-A352 HydrophobicContact CB-CB 4.43Å; F349-A352 PolarHBondContact O-N 3.03Å; F349-F353 HydrophobicContact CD2-CB 4.32Å; F349-F353 PolarHBondContact O-N 3.2Å
350S95.3Very high96Very high32 Ų3233.1 Ų33.122%0.22420%0.195CC..Hα-helixtrans-46-46.7-178.2-178.20000114.9I345 A352 F353 H354I345-S350 PolarHBondContact O-N 3.08Å; S350-A352 PolarHBondContact O-N 2.73Å; S350-F353 PolarHBondContact O-N 2.84Å; S350-H354 PolarHBondContact O-N 2.61Å
351T96.4Very high96Very high124 Ų12434.4 Ų34.476%0.76120%0.204SC*.Hα-helixtrans-64.7-41.3-179.1-48.70000112.6F349 K355F349-T351 VanDerWaalsContact C-N 3.33Å; F349-T351 PolarHBondContact O-N 2.99Å; F349-T351 VanDerWaalsContact O-N 3.14Å; T351-K355 WeakPolarHBondContact O-CB 3.43Å; T351-K355 PolarHBondContact O-N 2.84Å; T351-K355 VanDerWaalsContact O-N 3.08Å
352A97.2Very high96Very high11 Ų1138.5 Ų38.59%0.09124%0.238CC..Hα-helixtrans-69.6-38.9178.700000110.9M323 A327 F349 S350 K355 L356M323-A352 HydrophobicContact CB-CB 3.87Å; A327-A352 WeakPolarHBondContact CB-O 3.23Å; F349-A352 HydrophobicContact CB-CB 4.43Å; F349-A352 PolarHBondContact O-N 3.03Å; S350-A352 PolarHBondContact O-N 2.73Å; A352-K355 PolarHBondContact O-N 2.85Å; A352-L356 WeakPolarHBondContact O-CB 3.44Å; A352-L356 PolarHBondContact O-N 2.91Å
353F97.6Very high96.1Very high1 Ų139.5 Ų39.50%0.00424%0.239CC..Hα-helixtrans-60.4-49.6174175-106000112.3L340 I345 F346 F349 S350 K355 L356 L357 L369 F382 A385L340-F353 HydrophobicContact CD1-CD2 3.97Å; L340-F353 HydrophobicContact CD1-CE2 4.17Å; I345-F353 HydrophobicContact CD1-CD2 4.4Å; I345-F353 HydrophobicContact CG2-CB 3.85Å; I345-F353 HydrophobicContact CG2-CD1 3.59Å; I345-F353 HydrophobicContact CG2-CD2 3.82Å; I345-F353 HydrophobicContact CG2-CE1 4.03Å; I345-F353 HydrophobicContact CG2-CE2 4.24Å; I345-F353 HydrophobicContact CG2-CG 3.46Å; I345-F353 VanDerWaalsContact CG2-CG 3.46Å; I345-F353 HydrophobicContact CG2-CZ 4.32Å; F346-F353 HydrophobicContact CZ-CE1 4.25Å; F349-F353 HydrophobicContact CD2-CB 4.32Å; F349-F353 PolarHBondContact O-N 3.2Å; S350-F353 PolarHBondContact O-N 2.84Å; F353-K355 VanDerWaalsContact C-N 3.29Å; F353-K355 PolarHBondContact O-N 2.95Å; F353-L356 PolarHBondContact O-N 3.26Å; F353-L357 HydrophobicContact CD1-CD1 4.27Å; F353-L357 HydrophobicContact CD2-CG 4.47Å; F353-L357 HydrophobicContact CE1-CD1 3.52Å; F353-L357 HydrophobicContact CE1-CG 4.32Å; F353-L357 HydrophobicContact CE2-CD1 3.91Å; F353-L357 HydrophobicContact CE2-CD2 4.32Å; F353-L357 HydrophobicContact CE2-CG 4.03Å; F353-L357 HydrophobicContact CZ-CD1 3.32Å; F353-L357 HydrophobicContact CZ-CD2 4.46Å; F353-L357 HydrophobicContact CZ-CG 3.96Å; F353-L357 PolarHBondContact O-N 2.92Å; F353-L369 HydrophobicContact CE2-CD1 4.3Å; F353-L369 HydrophobicContact CE2-CD2 4.08Å; F353-L369 HydrophobicContact CZ-CD1 3.86Å; F353-L369 HydrophobicContact CZ-CD2 4.44Å; F353-F382 HydrophobicContact CE1-CD2 4.49Å; F353-A385 HydrophobicContact CD1-CB 4.36Å; F353-A385 HydrophobicContact CE1-CB 4.08Å
354H97.3Very high96.2Very high80 Ų8039 Ų3937%0.3724%0.237SC..Hα-helixtrans-59.2-42.2176.7-174.5-59.5000111.7S350 S358 A385S350-H354 PolarHBondContact O-N 2.61Å; H354-S358 WeakPolarHBondContact O-CB 3.18Å; H354-S358 PolarHBondContact O-N 2.6Å; H354-A385 HydrophobicContact CB-CB 4.33Å
355K98Very high96.5Very high87 Ų8737.8 Ų37.838%0.37823%0.231SC..Hα-helixtrans-63.2-45.1176.6-179170.7173.5169.20111.5A327 N328 T351 A352 F353 S358 R359A327-K355 HydrophobicContact CB-CB 4.32Å; A327-K355 HydrophobicContact CB-CD 4.43Å; A327-K355 HydrophobicContact CB-CG 4.23Å; N328-K355 WeakPolarHBondContact OD1-CE 3.14Å; N328-K355 PolarHBondContact OD1-NZ 3.39Å; T351-K355 WeakPolarHBondContact O-CB 3.43Å; T351-K355 PolarHBondContact O-N 2.84Å; T351-K355 VanDerWaalsContact O-N 3.08Å; A352-K355 PolarHBondContact O-N 2.85Å; F353-K355 VanDerWaalsContact C-N 3.29Å; F353-K355 PolarHBondContact O-N 2.95Å; K355-S358 WeakPolarHBondContact O-CB 3.28Å; K355-S358 PolarHBondContact O-N 2.85Å; K355-R359 WeakPolarHBondContact O-CG 3.44Å; K355-R359 PolarHBondContact O-N 3.14Å; K355-R359 VanDerWaalsContact O-N 3.11Å
356L98.3Very high96.7Very high0 Ų038.2 Ų38.20%023%0.234CC..Hα-helixtrans-58.1-51.3178.2178.961.4000111.2M323 L326 A327 L335 L338 L340 A352 F353 S358 R359 C360M323-L356 HydrophobicContact CE-CD2 3.96Å; L326-L356 HydrophobicContact CD2-CD2 3.79Å; L326-L356 HydrophobicContact CG-CD1 4.18Å; L326-L356 HydrophobicContact CG-CD2 4.08Å; A327-L356 HydrophobicContact CB-CB 4Å; L335-L356 HydrophobicContact CD1-CD1 4.08Å; L338-L356 HydrophobicContact CD2-CD2 3.71Å; L338-L356 HydrophobicContact CD2-CG 4.32Å; L340-L356 HydrophobicContact CD1-CD2 4.45Å; A352-L356 WeakPolarHBondContact O-CB 3.44Å; A352-L356 PolarHBondContact O-N 2.91Å; F353-L356 PolarHBondContact O-N 3.26Å; L356-S358 VanDerWaalsContact C-N 3.3Å; L356-S358 PolarHBondContact O-N 3.24Å; L356-R359 WeakPolarHBondContact O-CB 3.15Å; L356-R359 PolarHBondContact O-N 3.48Å; L356-C360 PolarHBondContact O-N 3.03Å; L356-C360 PolarHBondContact O-SG 3.09Å
357L98Very high96.9Very high0 Ų037.2 Ų37.20%023%0.23CC..Hα-helixtrans-60.1-39.5178.1-70.4-171.8000112.6F353 R359 C360 S361 L364 L367 A385 L386F353-L357 HydrophobicContact CD1-CD1 4.27Å; F353-L357 HydrophobicContact CD2-CG 4.47Å; F353-L357 HydrophobicContact CE1-CD1 3.52Å; F353-L357 HydrophobicContact CE1-CG 4.32Å; F353-L357 HydrophobicContact CE2-CD1 3.91Å; F353-L357 HydrophobicContact CE2-CD2 4.32Å; F353-L357 HydrophobicContact CE2-CG 4.03Å; F353-L357 HydrophobicContact CZ-CD1 3.32Å; F353-L357 HydrophobicContact CZ-CD2 4.46Å; F353-L357 HydrophobicContact CZ-CG 3.96Å; F353-L357 PolarHBondContact O-N 2.92Å; L357-R359 PolarHBondContact O-N 2.81Å; L357-C360 PolarHBondContact O-N 2.75Å; L357-S361 WeakPolarHBondContact O-CA 3.31Å; L357-S361 WeakPolarHBondContact O-CB 3.5Å; L357-S361 PolarHBondContact O-N 3.49Å; L357-L364 HydrophobicContact CD2-CD2 3.69Å; L357-L367 HydrophobicContact CD2-CD1 4.38Å; L357-L367 HydrophobicContact CD2-CD2 4.2Å; L357-A385 HydrophobicContact CD1-CB 4Å; L357-L386 HydrophobicContact CD1-CD2 3.85Å
358S97.5Very high97.2Very high59 Ų5935.7 Ų35.741%0.41321%0.212SC..Hα-helixtrans-60-35.5174.1-176.80000112.4H354 K355 L356 S361H354-S358 WeakPolarHBondContact O-CB 3.18Å; H354-S358 PolarHBondContact O-N 2.6Å; K355-S358 WeakPolarHBondContact O-CB 3.28Å; K355-S358 PolarHBondContact O-N 2.85Å; L356-S358 VanDerWaalsContact C-N 3.3Å; L356-S358 PolarHBondContact O-N 3.24Å; S358-S361 WeakPolarHBondContact O-CB 3.18Å; S358-S361 PolarHBondContact O-OG 2.79Å
359R97.9Very high97.5Very high89 Ų8933.7 Ų33.734%0.33620%0.198SC..Hα-helixtrans-76.8-42-179.6-67-16583.6129.17.3113.2A327 S332 E333 K355 L356 L357 S361A327-R359 WeakPolarHBondContact O-CD 3.49Å; S332-R359 CarbonylContact O-C 3.55Å; S332-R359 WeakPolarHBondContact OG-CD 3.4Å; S332-R359 PolarHBondContact OG-NE 2.95Å; E333-R359 HydrophobicContact CG-CB 4.17Å; E333-R359 IonicContact OE1-CZ 3.26Å; E333-R359 IonicContact OE1-NE 3.86Å; E333-R359 PolarHBondContact OE1-NE 3.05Å; E333-R359 IonicContact OE1-NH2 3.95Å; E333-R359 PolarHBondContact OE1-NH2 3.04Å; K355-R359 WeakPolarHBondContact O-CG 3.44Å; K355-R359 PolarHBondContact O-N 3.14Å; K355-R359 VanDerWaalsContact O-N 3.11Å; L356-R359 WeakPolarHBondContact O-CB 3.15Å; L356-R359 PolarHBondContact O-N 3.48Å; L357-R359 PolarHBondContact O-N 2.81Å; R359-S361 VanDerWaalsContact C-N 3.29Å; R359-S361 PolarHBondContact O-N 3.42Å
360C97.5Very high97.5Very high0 Ų035.7 Ų35.70%021%0.208CC..Hα-helixtrans-86.23.1177.160.40000113.5S332 L335 L356 L357 A362 T363 L364S332-C360 WeakPolarHBondContact O-CA 3.49Å; S332-C360 WeakPolarHBondContact O-CB 3.37Å; S332-C360 PolarHBondContact O-N 3.38Å; S332-C360 VanDerWaalsContact O-N 3.1Å; L335-C360 HydrophobicContact CB-CB 4.01Å; L356-C360 PolarHBondContact O-N 3.03Å; L356-C360 PolarHBondContact O-SG 3.09Å; L357-C360 PolarHBondContact O-N 2.75Å; C360-A362 PolarHBondContact O-N 3.26Å; C360-T363 PolarHBondContact O-N 3.02Å; C360-T363 PolarHBondContact O-OG1 3.14Å; C360-T363 VanDerWaalsContact O-OG1 3.14Å; C360-L364 HydrophobicContact CB-CB 4.29Å; C360-L364 VanDerWaalsContact O-CB 3.31Å; C360-L364 WeakPolarHBondContact O-CB 3.35Å; C360-L364 PolarHBondContact O-N 3.49Å
361S97.1Very high97.3Very high27 Ų2739 Ų3919%0.18922%0.22CC..THydrogen-bonded Turntrans-52.2-33-17457.80000115.2L357 S358 R359L357-S361 WeakPolarHBondContact O-CA 3.31Å; L357-S361 WeakPolarHBondContact O-CB 3.5Å; L357-S361 PolarHBondContact O-N 3.49Å; S358-S361 WeakPolarHBondContact O-CB 3.18Å; S358-S361 PolarHBondContact O-OG 2.79Å; R359-S361 VanDerWaalsContact C-N 3.29Å; R359-S361 PolarHBondContact O-N 3.42Å
362A96.7Very high97.3Very high94 Ų9433.1 Ų33.178%0.77718%0.184SC*.THydrogen-bonded Turntrans-77-24.8178.900000113.8C360C360-A362 PolarHBondContact O-N 3.26Å
363T97.9Very high97.1Very high46 Ų4635.1 Ų35.128%0.28219%0.192SC..THydrogen-bonded Turntrans-112.2-27-171.5550000113.6E333 L335 C360 T365E333-T363 WeakPolarHBondContact O-CG2 3.46Å; E333-T363 PolarHBondContact O-OG1 2.95Å; L335-T363 CarbonylContact O-C 3.49Å; L335-T363 WeakPolarHBondContact O-CB 3.26Å; L335-T363 PolarHBondContact O-OG1 2.67Å; C360-T363 PolarHBondContact O-N 3.02Å; C360-T363 PolarHBondContact O-OG1 3.14Å; C360-T363 VanDerWaalsContact O-OG1 3.14Å; T363-T365 PolarHBondContact O-N 3.46Å
364L98.4Very high97Very high0 Ų035.1 Ų35.10%019%0.193CC..  trans-65.9119.6-172.6-168.972.7000111.1L335 L338 L357 C360 T366 L367 G391 L392L335-L364 WeakPolarHBondContact O-CA 3.13Å; L335-L364 PolarHBondContact O-N 2.88Å; L338-L364 HydrophobicContact CB-CD1 3.91Å; L357-L364 HydrophobicContact CD2-CD2 3.69Å; C360-L364 HydrophobicContact CB-CB 4.29Å; C360-L364 VanDerWaalsContact O-CB 3.31Å; C360-L364 WeakPolarHBondContact O-CB 3.35Å; C360-L364 PolarHBondContact O-N 3.49Å; L364-T366 WeakPolarHBondContact CD1-O 3.26Å; L364-L367 HydrophobicContact CD2-CB 4.32Å; L364-G391 CarbonylContact O-C 3.57Å; L364-L392 HydrophobicContact CD2-CD1 4.27Å; L364-L392 HydrophobicContact CG-CD1 4.24Å; L364-L392 PolarHBondContact O-N 3.1Å
365T98.3Very high96.8Very high33 Ų3334.5 Ų34.520%0.20219%0.19CC..  trans-112.6-29.7176.362.50000112.6V336 T363 Q393 E394V336-T365 HydrophobicContact CG1-CG2 4.12Å; V336-T365 WeakPolarHBondContact CG1-OG1 3.44Å; V336-T365 PolarHBondContact O-N 3.17Å; V336-T365 PolarHBondContact O-OG1 3.08Å; T363-T365 PolarHBondContact O-N 3.46Å; T365-Q393 WeakPolarHBondContact O-CA 3.44Å; T365-Q393 PolarHBondContact O-N 3.02Å; T365-E394 PolarHBondContact O-N 2.87Å
366T98.6Very high96.7Very high9 Ų933 Ų336%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-129129-179.7-560000110.1V336 H337 L338 L364 V368 E394V336-T366 PolarHBondContact O-N 3.35Å; H337-T366 WeakPolarHBondContact CA-O 3.24Å; H337-T366 WeakPolarHBondContact CE1-CG2 3.08Å; H337-T366 VanDerWaalsContact ND1-CB 3.31Å; H337-T366 WeakPolarHBondContact ND1-CB 3.25Å; H337-T366 WeakPolarHBondContact ND1-CG2 3Å; L338-T366 PolarHBondContact N-O 3.35Å; L338-T366 VanDerWaalsContact N-O 3.07Å; L364-T366 WeakPolarHBondContact CD1-O 3.26Å; T366-V368 HydrophobicContact CG2-CG2 4.12Å; T366-E394 WeakPolarHBondContact CA-O 3.33Å; T366-E394 HydrophobicContact CG2-CB 3.84Å; T366-E394 WeakPolarHBondContact CG2-OE2 3.43Å; T366-E394 PolarHBondContact OG1-OE2 3.4Å
367L98.4Very high96.6Very high0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-128.8123.4175.7179.861.9000110L338 L357 L364 L369 L386 L392 E394 L395 K396L338-L367 HydrophobicContact CB-CD1 4.36Å; L338-L367 HydrophobicContact CD2-CD1 4.3Å; L338-L367 HydrophobicContact CG-CD1 4.37Å; L338-L367 WeakPolarHBondContact O-CA 2.98Å; L357-L367 HydrophobicContact CD2-CD1 4.38Å; L357-L367 HydrophobicContact CD2-CD2 4.2Å; L364-L367 HydrophobicContact CD2-CB 4.32Å; L367-L369 HydrophobicContact CD1-CD1 4.34Å; L367-L369 HydrophobicContact CD1-CD2 4.19Å; L367-L369 HydrophobicContact CD1-CG 4.05Å; L367-L369 HydrophobicContact CD2-CD1 3.85Å; L367-L369 HydrophobicContact CD2-CG 4.37Å; L367-L369 HydrophobicContact CG-CD1 4Å; L367-L369 HydrophobicContact CG-CG 3.96Å; L367-L386 HydrophobicContact CD2-CD2 3.43Å; L367-L386 VanDerWaalsContact CD2-CD2 3.43Å; L367-L392 HydrophobicContact CB-CD1 3.85Å; L367-E394 PolarHBondContact N-O 3.13Å; L367-L395 HydrophobicContact CB-CD1 4.2Å; L367-L395 HydrophobicContact CD2-CD1 4.16Å; L367-L395 HydrophobicContact CG-CD1 4.26Å; L367-L395 WeakPolarHBondContact O-CA 3.42Å; L367-K396 PolarHBondContact O-N 2.79Å
368V98.1Very high96.4Very high7 Ų742 Ų424%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-115.8120.4179.3-170.80000108.5L338 D339 L340 S341 T366 E370 K396L338-V368 PolarHBondContact O-N 2.6Å; D339-V368 HydrophobicContact CB-CB 3.86Å; D339-V368 HydrophobicContact CB-CG1 4.49Å; D339-V368 HydrophobicContact CB-CG2 4.36Å; L340-V368 PolarHBondContact N-O 2.94Å; L340-V368 VanDerWaalsContact N-O 3.08Å; S341-V368 WeakPolarHBondContact OG-CG1 3.23Å; T366-V368 HydrophobicContact CG2-CG2 4.12Å; V368-E370 HydrophobicContact CG1-CG 3.89Å; V368-K396 HydrophobicContact CB-CB 4.42Å; V368-K396 HydrophobicContact CG1-CB 3.98Å; V368-K396 HydrophobicContact CG1-CD 4.13Å; V368-K396 HydrophobicContact CG2-CB 4.43Å; V368-K396 HydrophobicContact CG2-CD 4Å; V368-K396 HydrophobicContact CG2-CG 4.31Å
369L97.3Very high96.3Very high0 Ų040 Ų400%022%0.217CC..  trans-137.457.5-177.7-63.6173.7000109.1L340 I345 F353 L367 C372 I374 F382 K396 L397 N400L340-L369 HydrophobicContact CB-CD2 3.92Å; I345-L369 HydrophobicContact CD1-CD2 3.98Å; I345-L369 HydrophobicContact CG1-CD2 4.24Å; F353-L369 HydrophobicContact CE2-CD1 4.3Å; F353-L369 HydrophobicContact CE2-CD2 4.08Å; F353-L369 HydrophobicContact CZ-CD1 3.86Å; F353-L369 HydrophobicContact CZ-CD2 4.44Å; L367-L369 HydrophobicContact CD1-CD1 4.34Å; L367-L369 HydrophobicContact CD1-CD2 4.19Å; L367-L369 HydrophobicContact CD1-CG 4.05Å; L367-L369 HydrophobicContact CD2-CD1 3.85Å; L367-L369 HydrophobicContact CD2-CG 4.37Å; L367-L369 HydrophobicContact CG-CD1 4Å; L367-L369 HydrophobicContact CG-CG 3.96Å; L369-C372 VanDerWaalsContact CA-SG 3.56Å; L369-C372 HydrophobicContact CB-CB 4.33Å; L369-I374 HydrophobicContact CB-CD1 4.16Å; L369-I374 HydrophobicContact CD1-CD1 4.22Å; L369-F382 HydrophobicContact CD1-CE2 3.57Å; L369-F382 HydrophobicContact CD1-CZ 4.08Å; L369-K396 CarbonylContact C-O 3.57Å; L369-K396 PolarHBondContact N-O 2.89Å; L369-L397 HydrophobicContact CB-CD2 4.03Å; L369-L397 HydrophobicContact CD1-CD2 4.49Å; L369-N400 PolarHBondContact O-ND2 2.98Å
370E94.9Very high96.1Very high50 Ų5040.3 Ų40.323%0.23423%0.229CC..THydrogen-bonded Turntrans-82143.5179.2-59.4178.3-169.200110.2S341 G342 V368 C372 K396 L398S341-E370 CarbonylContact C-O 3.36Å; S341-E370 WeakPolarHBondContact CA-O 3.38Å; S341-E370 WeakPolarHBondContact CB-O 3.39Å; S341-E370 PolarHBondContact OG-N 2.89Å; G342-E370 PolarHBondContact N-O 2.92Å; V368-E370 HydrophobicContact CG1-CG 3.89Å; E370-C372 PolarHBondContact O-N 3.31Å; E370-C372 VanDerWaalsContact O-N 3.11Å; E370-C372 PolarHBondContact O-SG 2.85Å; E370-K396 HydrophobicContact CG-CB 4.25Å; E370-K396 WeakPolarHBondContact OE1-CB 3.41Å; E370-K396 WeakPolarHBondContact OE1-CD 3.4Å; E370-L398 CarbonylContact C-O 3.27Å; E370-L398 WeakPolarHBondContact CA-O 3.4Å; E370-L398 HydrophobicContact CB-CB 4.44Å; E370-L398 HydrophobicContact CG-CB 3.99Å
371E92.9Very high96Very high103 Ų10343 Ų4348%0.48125%0.246SC..THydrogen-bonded Turntrans51.738.1179.5-62.2179.1-15500113.3G342 L398G342-E371 WeakPolarHBondContact CA-O 3.06Å; E371-L398 PolarHBondContact N-O 2.8Å
372C95.2Very high95.9Very high0 Ų041.9 Ų41.90%024%0.237CC..  trans-92.911.3-174.8-80.50000114.6L340 H343 I345 L369 E370 I374 N400L340-C372 PolarHBondContact O-SG 3.41Å; H343-C372 CarbonylContact O-C 3.25Å; H343-C372 WeakPolarHBondContact O-CA 3.32Å; H343-C372 WeakPolarHBondContact O-CB 3.01Å; H343-C372 VanDerWaalsContact O-O 3.11Å; I345-C372 HydrophobicContact CG1-CB 3.84Å; L369-C372 VanDerWaalsContact CA-SG 3.56Å; L369-C372 HydrophobicContact CB-CB 4.33Å; E370-C372 PolarHBondContact O-N 3.31Å; E370-C372 VanDerWaalsContact O-N 3.11Å; E370-C372 PolarHBondContact O-SG 2.85Å; C372-I374 HydrophobicContact CB-CD1 4.02Å; C372-I374 HydrophobicContact CB-CG1 3.83Å; C372-I374 PolarHBondContact O-N 2.77Å; C372-N400 WeakPolarHBondContact CA-OD1 3.36Å; C372-N400 PolarHBondContact N-OD1 3.07Å
373N93.1Very high95.7Very high52 Ų5238.4 Ų38.428%0.27821%0.207SC..  trans49.639.4-171.9-161.848.2000113.9E375 N400N373-E375 PolarHBondContact ND2-OE1 3.27Å; N373-E375 PolarHBondContact O-N 3.4Å; N373-E375 VanDerWaalsContact O-N 3.08Å; N373-N400 PolarHBondContact N-OD1 3.2Å
374I95.4Very high95.5Very high1 Ų140.4 Ų40.41%0.00522%0.216CC..  trans-78.497176.3-53.7174.8000109.1F346 L369 C372 H378 F382 L397 N400 P401 L402F346-I374 HydrophobicContact CD2-CG1 4.21Å; F346-I374 HydrophobicContact CE2-CD1 4.31Å; F346-I374 HydrophobicContact CE2-CG1 3.98Å; F346-I374 HydrophobicContact CE2-CG2 4.12Å; L369-I374 HydrophobicContact CB-CD1 4.16Å; L369-I374 HydrophobicContact CD1-CD1 4.22Å; C372-I374 HydrophobicContact CB-CD1 4.02Å; C372-I374 HydrophobicContact CB-CG1 3.83Å; C372-I374 PolarHBondContact O-N 2.77Å; I374-H378 HydrophobicContact CG2-CB 4.31Å; I374-F382 HydrophobicContact CD1-CE2 4.39Å; I374-L397 HydrophobicContact CD1-CD2 4.1Å; I374-N400 HydrophobicContact CB-CB 4.12Å; I374-N400 WeakPolarHBondContact CB-OD1 3.12Å; I374-N400 WeakPolarHBondContact CG1-OD1 3.2Å; I374-N400 PolarHBondContact N-OD1 3.14Å; I374-P401 WeakPolarHBondContact O-CD 3.37Å; I374-L402 HydrophobicContact CG2-CD2 4.12Å; I374-L402 WeakPolarHBondContact O-CD2 3.08Å
375E94.2Very high95.4Very high67 Ų6740.4 Ų40.431%0.31322%0.216SC..  trans-85.3168.1175.1-64.4175.8-129.600113.8N373 D377 H378 P401N373-E375 PolarHBondContact ND2-OE1 3.27Å; N373-E375 PolarHBondContact O-N 3.4Å; N373-E375 VanDerWaalsContact O-N 3.08Å; E375-D377 VanDerWaalsContact C-N 3.29Å; E375-D377 PolarHBondContact O-N 3.24Å; E375-H378 PolarHBondContact N-ND1 3.4Å; E375-H378 WeakPolarHBondContact O-CB 3.4Å; E375-H378 PolarHBondContact O-N 2.98Å; E375-P401 HydrophobicContact CB-CG 4.43Å; E375-P401 HydrophobicContact CG-CB 4.47Å; E375-P401 HydrophobicContact CG-CG 3.54Å
376D95.4Very high95.2Very high57 Ų5738.9 Ų38.931%0.30521%0.207SC..G310 helixtrans-53.9-40.1-179.2-75-6.7000113.7H378 L379 S403 T406D376-H378 PolarHBondContact O-N 3.43Å; D376-L379 WeakPolarHBondContact O-CB 3.42Å; D376-L379 PolarHBondContact O-N 2.82Å; D376-S403 VanDerWaalsContact CG-OG 3.28Å; D376-S403 PolarHBondContact OD1-N 3.04Å; D376-S403 PolarHBondContact OD1-OG 2.87Å; D376-S403 WeakPolarHBondContact OD2-CB 3.31Å; D376-S403 PolarHBondContact OD2-OG 3.49Å; D376-T406 WeakPolarHBondContact CB-OG1 3.14Å; D376-T406 WeakPolarHBondContact OD1-CB 3.11Å; D376-T406 PolarHBondContact OD1-OG1 3.26Å; D376-T406 PolarHBondContact OD2-OG1 3.22Å
377D95Very high95Very high145 Ų14541.6 Ų41.678%0.77523%0.226SC*.G310 helixtrans-66.6-22.1-179.6-73.2-15.2000112.8E375 L379E375-D377 VanDerWaalsContact C-N 3.29Å; E375-D377 PolarHBondContact O-N 3.24Å; D377-L379 VanDerWaalsContact C-N 3.34Å
378H95.6Very high94.7Very high43 Ų4343.9 Ų43.920%0.19924%0.241CC..G310 helixtrans-81.8-10.3179.3-58.8140.8000113.6F346 I374 E375 D376 T380 T381 F382F346-H378 HydrophobicContact CB-CB 4.49Å; F346-H378 HydrophobicContact CD2-CB 3.77Å; F346-H378 AromaticContact CD2-CG 3.85Å; F346-H378 AromaticContact CD2-ND1 3.99Å; F346-H378 HydrophobicContact CE2-CB 4.14Å; F346-H378 HydrophobicContact CG-CB 3.99Å; F346-H378 AromaticContact CG-CG 3.82Å; I374-H378 HydrophobicContact CG2-CB 4.31Å; E375-H378 PolarHBondContact N-ND1 3.4Å; E375-H378 WeakPolarHBondContact O-CB 3.4Å; E375-H378 PolarHBondContact O-N 2.98Å; D376-H378 PolarHBondContact O-N 3.43Å; H378-T380 VanDerWaalsContact C-N 3.3Å; H378-T380 PolarHBondContact O-N 2.89Å; H378-T381 PolarHBondContact O-N 2.94Å; H378-T381 VanDerWaalsContact O-N 3.09Å; H378-F382 WeakPolarHBondContact O-CB 3.19Å; H378-F382 PolarHBondContact O-N 3.35Å
379L94.7Very high94.6Very high17 Ų1743.6 Ų43.69%0.08924%0.239CC..Hα-helixtrans-53.1-44.6-172.4178.566.4000113.2D376 D377 F382 T383 T406 R409 L410D376-L379 WeakPolarHBondContact O-CB 3.42Å; D376-L379 PolarHBondContact O-N 2.82Å; D377-L379 VanDerWaalsContact C-N 3.34Å; L379-F382 PolarHBondContact O-N 3.01Å; L379-T383 HydrophobicContact CD1-CG2 3.93Å; L379-T383 HydrophobicContact CG-CG2 4.4Å; L379-T383 WeakPolarHBondContact O-CB 3.21Å; L379-T383 WeakPolarHBondContact O-CG2 3.13Å; L379-T383 PolarHBondContact O-N 3.48Å; L379-T383 PolarHBondContact O-OG1 3.4Å; L379-T406 HydrophobicContact CB-CG2 4.05Å; L379-T406 HydrophobicContact CD1-CG2 3.96Å; L379-T406 HydrophobicContact CD2-CG2 4.01Å; L379-T406 HydrophobicContact CG-CG2 4.2Å; L379-R409 HydrophobicContact CD2-CB 3.56Å; L379-R409 HydrophobicContact CD2-CG 4.36Å; L379-L410 HydrophobicContact CD1-CB 4.05Å; L379-L410 HydrophobicContact CD1-CD1 4.27Å
380T93.6Very high94.5Very high95 Ų9549.4 Ų49.458%0.58327%0.266SS*.Hα-helixtrans-65.4-45.5-178.8-53.60000110.9H378 F382 T383 N384H378-T380 VanDerWaalsContact C-N 3.3Å; H378-T380 PolarHBondContact O-N 2.89Å; T380-F382 VanDerWaalsContact C-N 3.34Å; T380-F382 PolarHBondContact O-N 3.12Å; T380-T383 PolarHBondContact O-OG1 3.09Å; T380-T383 VanDerWaalsContact O-OG1 3.07Å; T380-N384 WeakPolarHBondContact O-CB 3.41Å; T380-N384 PolarHBondContact O-N 3.47Å; T380-N384 PolarHBondContact O-ND2 2.92Å
381T94.8Very high94.5Very high57 Ų5747.7 Ų47.735%0.3526%0.262SS..Hα-helixtrans-65-40.5178-49.80000111.2F346 H378 A385F346-T381 HydrophobicContact CD1-CG2 3.93Å; F346-T381 HydrophobicContact CE1-CG2 3.7Å; H378-T381 PolarHBondContact O-N 2.94Å; H378-T381 VanDerWaalsContact O-N 3.09Å; T381-A385 WeakPolarHBondContact O-CB 3.45Å; T381-A385 PolarHBondContact O-N 3.19Å
382F95.5Very high94.7Very high3 Ų342.8 Ų42.81%0.01324%0.239CC..Hα-helixtrans-64.8-50.4178.5-178.9-130.3000112.4F346 F353 L369 I374 H378 L379 T380 N384 A385 L386 L395 L397 L410F346-F382 HydrophobicContact CE1-CB 4.44Å; F346-F382 HydrophobicContact CE2-CB 4.06Å; F346-F382 HydrophobicContact CE2-CD2 4.18Å; F346-F382 HydrophobicContact CE2-CG 4.39Å; F346-F382 HydrophobicContact CZ-CB 3.57Å; F346-F382 AromaticContact CZ-CD2 3.82Å; F346-F382 HydrophobicContact CZ-CD2 3.82Å; F346-F382 HydrophobicContact CZ-CG 4.1Å; F353-F382 HydrophobicContact CE1-CD2 4.49Å; L369-F382 HydrophobicContact CD1-CE2 3.57Å; L369-F382 HydrophobicContact CD1-CZ 4.08Å; I374-F382 HydrophobicContact CD1-CE2 4.39Å; H378-F382 WeakPolarHBondContact O-CB 3.19Å; H378-F382 PolarHBondContact O-N 3.35Å; L379-F382 PolarHBondContact O-N 3.01Å; T380-F382 VanDerWaalsContact C-N 3.34Å; T380-F382 PolarHBondContact O-N 3.12Å; F382-N384 VanDerWaalsContact C-N 3.32Å; F382-N384 PolarHBondContact O-N 2.94Å; F382-A385 PolarHBondContact O-N 3.09Å; F382-L386 HydrophobicContact CD1-CD1 4.25Å; F382-L386 HydrophobicContact CD2-CD1 4.17Å; F382-L386 HydrophobicContact CD2-CG 4.21Å; F382-L386 HydrophobicContact CE1-CD1 3.73Å; F382-L386 HydrophobicContact CE2-CD1 3.65Å; F382-L386 HydrophobicContact CE2-CD2 4.19Å; F382-L386 HydrophobicContact CE2-CG 3.89Å; F382-L386 HydrophobicContact CG-CD1 4.46Å; F382-L386 HydrophobicContact CZ-CD1 3.41Å; F382-L386 VanDerWaalsContact CZ-CD1 3.41Å; F382-L386 HydrophobicContact CZ-CG 4.18Å; F382-L386 WeakPolarHBondContact O-CG 3.5Å; F382-L386 PolarHBondContact O-N 2.96Å; F382-L395 HydrophobicContact CZ-CD1 4.45Å; F382-L397 HydrophobicContact CE1-CD1 4.18Å; F382-L397 HydrophobicContact CE1-CD2 4.2Å; F382-L397 HydrophobicContact CZ-CD1 4.44Å; F382-L397 HydrophobicContact CZ-CD2 3.77Å; F382-L410 HydrophobicContact CD1-CD1 4.31Å; F382-L410 HydrophobicContact CE1-CD1 4.1Å
383T93.4Very high94.9Very high22 Ų2245.5 Ų45.514%0.13525%0.252CS..Hα-helixtrans-62.4-38.317849.30000112.2L379 T380 L386 S387 L410 T413L379-T383 HydrophobicContact CD1-CG2 3.93Å; L379-T383 HydrophobicContact CG-CG2 4.4Å; L379-T383 WeakPolarHBondContact O-CB 3.21Å; L379-T383 WeakPolarHBondContact O-CG2 3.13Å; L379-T383 PolarHBondContact O-N 3.48Å; L379-T383 PolarHBondContact O-OG1 3.4Å; T380-T383 PolarHBondContact O-OG1 3.09Å; T380-T383 VanDerWaalsContact O-OG1 3.07Å; T383-L386 PolarHBondContact O-N 3.05Å; T383-S387 PolarHBondContact O-N 3.46Å; T383-L410 HydrophobicContact CG2-CD1 4.25Å; T383-T413 HydrophobicContact CG2-CG2 3.91Å
384N93.5Very high95.1Very high87 Ų8746.5 Ų46.547%0.46525%0.254SS..Hα-helixtrans-61.8-45173.3-73-19000112T380 F382 L386 S387T380-N384 WeakPolarHBondContact O-CB 3.41Å; T380-N384 PolarHBondContact O-N 3.47Å; T380-N384 PolarHBondContact O-ND2 2.92Å; F382-N384 VanDerWaalsContact C-N 3.32Å; F382-N384 PolarHBondContact O-N 2.94Å; N384-L386 VanDerWaalsContact C-N 3.3Å; N384-L386 PolarHBondContact O-N 3.48Å; N384-S387 WeakPolarHBondContact O-CB 3.48Å; N384-S387 PolarHBondContact O-N 3.45Å; N384-S387 PolarHBondContact O-OG 3.46Å
385A94.9Very high95.2Very high1 Ų146.4 Ų46.41%0.00825%0.254CS..Hα-helixtrans-64-34.7178.700000112.6F353 H354 L357 T381 F382 P388F353-A385 HydrophobicContact CD1-CB 4.36Å; F353-A385 HydrophobicContact CE1-CB 4.08Å; H354-A385 HydrophobicContact CB-CB 4.33Å; L357-A385 HydrophobicContact CD1-CB 4Å; T381-A385 WeakPolarHBondContact O-CB 3.45Å; T381-A385 PolarHBondContact O-N 3.19Å; F382-A385 PolarHBondContact O-N 3.09Å; A385-P388 WeakPolarHBondContact O-CD 3.2Å
386L94.8Very high95.3Very high1 Ų145.2 Ų45.21%0.00525%0.248CC..Hα-helixtrans-80-23.2176.9-67.2179.1000113.9L357 L367 F382 T383 N384 P388 C389 L395 F418L357-L386 HydrophobicContact CD1-CD2 3.85Å; L367-L386 HydrophobicContact CD2-CD2 3.43Å; L367-L386 VanDerWaalsContact CD2-CD2 3.43Å; F382-L386 HydrophobicContact CD1-CD1 4.25Å; F382-L386 HydrophobicContact CD2-CD1 4.17Å; F382-L386 HydrophobicContact CD2-CG 4.21Å; F382-L386 HydrophobicContact CE1-CD1 3.73Å; F382-L386 HydrophobicContact CE2-CD1 3.65Å; F382-L386 HydrophobicContact CE2-CD2 4.19Å; F382-L386 HydrophobicContact CE2-CG 3.89Å; F382-L386 HydrophobicContact CG-CD1 4.46Å; F382-L386 HydrophobicContact CZ-CD1 3.41Å; F382-L386 VanDerWaalsContact CZ-CD1 3.41Å; F382-L386 HydrophobicContact CZ-CG 4.18Å; F382-L386 WeakPolarHBondContact O-CG 3.5Å; F382-L386 PolarHBondContact O-N 2.96Å; T383-L386 PolarHBondContact O-N 3.05Å; N384-L386 VanDerWaalsContact C-N 3.3Å; N384-L386 PolarHBondContact O-N 3.48Å; L386-P388 VanDerWaalsContact C-N 3.26Å; L386-P388 WeakPolarHBondContact O-CD 3.41Å; L386-C389 WeakPolarHBondContact O-CB 3.31Å; L386-C389 PolarHBondContact O-N 3.11Å; L386-L395 HydrophobicContact CD1-CD2 4.4Å; L386-F418 HydrophobicContact CB-CE1 4Å; L386-F418 HydrophobicContact CB-CZ 3.56Å; L386-F418 VanDerWaalsContact O-CE1 3.28Å; L386-F418 WeakPolarHBondContact O-CE1 3.49Å; L386-F418 VanDerWaalsContact O-CZ 3.32Å; L386-F418 WeakPolarHBondContact O-CZ 3.49Å
387S93.4Very high95.3Very high66 Ų6642.5 Ų42.546%0.46223%0.233SC..THydrogen-bonded Turntrans-49.8-34-173.570.40000115.8T383 N384 C389T383-S387 PolarHBondContact O-N 3.46Å; N384-S387 WeakPolarHBondContact O-CB 3.48Å; N384-S387 PolarHBondContact O-N 3.45Å; N384-S387 PolarHBondContact O-OG 3.46Å; S387-C389 VanDerWaalsContact C-N 3.33Å
388P93.8Very high95.2Very high48 Ų4836.5 Ų36.531%0.31220%0.201SC..THydrogen-bonded Turntrans-73.9-22.8176.7-17.134.9000113.3A385 L386 Q390A385-P388 WeakPolarHBondContact O-CD 3.2Å; L386-P388 VanDerWaalsContact C-N 3.26Å; L386-P388 WeakPolarHBondContact O-CD 3.41Å; P388-Q390 PolarHBondContact O-N 2.9Å
389C95.8Very high94.9Very high0 Ų035.5 Ų35.50%020%0.202CC..  trans-82.354.5-171.3-55.80000112.7L386 S387 G391 L392 F418L386-C389 WeakPolarHBondContact O-CB 3.31Å; L386-C389 PolarHBondContact O-N 3.11Å; S387-C389 VanDerWaalsContact C-N 3.33Å; C389-G391 PolarHBondContact O-N 3.23Å; C389-G391 VanDerWaalsContact O-N 3.08Å; C389-L392 VanDerWaalsContact O-CB 3.3Å; C389-L392 WeakPolarHBondContact O-CB 3.42Å; C389-L392 PolarHBondContact O-N 3.09Å; C389-L392 VanDerWaalsContact O-N 3.09Å; C389-F418 HydrophobicContact CB-CE1 4.48Å; C389-F418 WeakPolarHBondContact O-CD1 3.39Å; C389-F418 WeakPolarHBondContact O-CE1 3.12Å
390Q94.3Very high94.9Very high122 Ų12234.7 Ų34.757%0.5720%0.198SC*.THydrogen-bonded Turntrans-65.3-13.3179.8-60.7-177.1-1.500113.4P388 L392P388-Q390 PolarHBondContact O-N 2.9Å; Q390-L392 VanDerWaalsContact C-N 3.3Å
391G95.6Very high94.9Very high14 Ų1430.3 Ų30.314%0.14417%0.171CC..THydrogen-bonded Turntrans-74.7-12.9173.700000115.2L364 C389 Q393L364-G391 CarbonylContact O-C 3.57Å; C389-G391 PolarHBondContact O-N 3.23Å; C389-G391 VanDerWaalsContact O-N 3.08Å; G391-Q393 PolarHBondContact O-N 3.44Å
392L97.7Very high94.9Very high0 Ų027.9 Ų27.90%016%0.156CC..  trans-62.9128.6-171.7-163.672.1000111.6L364 L367 C389 Q390 L395 F418 K420 L421L364-L392 HydrophobicContact CD2-CD1 4.27Å; L364-L392 HydrophobicContact CG-CD1 4.24Å; L364-L392 PolarHBondContact O-N 3.1Å; L367-L392 HydrophobicContact CB-CD1 3.85Å; C389-L392 VanDerWaalsContact O-CB 3.3Å; C389-L392 WeakPolarHBondContact O-CB 3.42Å; C389-L392 PolarHBondContact O-N 3.09Å; C389-L392 VanDerWaalsContact O-N 3.09Å; Q390-L392 VanDerWaalsContact C-N 3.3Å; L392-L395 HydrophobicContact CD2-CB 4.19Å; L392-L395 HydrophobicContact CD2-CD1 4.41Å; L392-F418 HydrophobicContact CB-CD1 4.03Å; L392-F418 HydrophobicContact CD2-CD1 4.3Å; L392-F418 HydrophobicContact CD2-CE1 4.39Å; L392-K420 CarbonylContact O-C 3.46Å; L392-K420 VanDerWaalsContact O-C 3.27Å; L392-L421 WeakPolarHBondContact O-CA 3.18Å; L392-L421 PolarHBondContact O-N 3.26Å; L392-L421 VanDerWaalsContact O-N 3.1Å
393Q97.5Very high95Very high58 Ų5828.5 Ų28.527%0.27116%0.161SC..  trans-110.5-33.1-179.4-62-177.840.400111.7T365 G391 K420 R422 Y423T365-Q393 WeakPolarHBondContact O-CA 3.44Å; T365-Q393 PolarHBondContact O-N 3.02Å; G391-Q393 PolarHBondContact O-N 3.44Å; Q393-K420 WeakPolarHBondContact CA-O 3.03Å; Q393-K420 HydrophobicContact CG-CB 4.21Å; Q393-R422 PolarHBondContact O-N 3.25Å; Q393-Y423 PolarHBondContact O-N 3.47Å; Q393-Y423 VanDerWaalsContact O-N 3.13Å
394E97.7Very high95.1Very high72 Ų7227.9 Ų27.934%0.33616%0.158SC..EExtended strand (participates in β ladder)trans-133.9131.1-174.6-55.7179.6171.500110.2T365 T366 L367 Y423T365-E394 PolarHBondContact O-N 2.87Å; T366-E394 WeakPolarHBondContact CA-O 3.33Å; T366-E394 HydrophobicContact CG2-CB 3.84Å; T366-E394 WeakPolarHBondContact CG2-OE2 3.43Å; T366-E394 PolarHBondContact OG1-OE2 3.4Å; L367-E394 PolarHBondContact N-O 3.13Å; E394-Y423 WeakPolarHBondContact CA-O 3.31Å
395L97.2Very high95.2Very high0 Ų026.8 Ų26.80%015%0.154CC..EExtended strand (participates in β ladder)trans-132.8126.4176.7179.660.3000109.9L367 F382 L386 L392 L397 L414 L421 Y423 I424 E425L367-L395 HydrophobicContact CB-CD1 4.2Å; L367-L395 HydrophobicContact CD2-CD1 4.16Å; L367-L395 HydrophobicContact CG-CD1 4.26Å; L367-L395 WeakPolarHBondContact O-CA 3.42Å; F382-L395 HydrophobicContact CZ-CD1 4.45Å; L386-L395 HydrophobicContact CD1-CD2 4.4Å; L392-L395 HydrophobicContact CD2-CB 4.19Å; L392-L395 HydrophobicContact CD2-CD1 4.41Å; L395-L397 HydrophobicContact CD1-CD2 4.18Å; L395-L397 HydrophobicContact CD1-CG 4.28Å; L395-L397 HydrophobicContact CD2-CD1 3.98Å; L395-L397 HydrophobicContact CD2-CG 4.45Å; L395-L397 HydrophobicContact CG-CD1 4.12Å; L395-L397 HydrophobicContact CG-CD2 4.48Å; L395-L397 HydrophobicContact CG-CG 4.05Å; L395-L414 HydrophobicContact CD2-CD1 4.3Å; L395-L414 HydrophobicContact CD2-CD2 4.09Å; L395-L421 HydrophobicContact CB-CD1 4.24Å; L395-Y423 PolarHBondContact N-O 3.36Å; L395-Y423 VanDerWaalsContact N-O 3.16Å; L395-I424 HydrophobicContact CB-CG1 4.38Å; L395-I424 HydrophobicContact CD2-CD1 4.26Å; L395-I424 CarbonylContact O-C 3.44Å; L395-I424 VanDerWaalsContact O-CA 3.25Å; L395-I424 WeakPolarHBondContact O-CA 3.42Å; L395-I424 WeakPolarHBondContact O-CG1 3.22Å; L395-E425 PolarHBondContact O-N 3.17Å
396K96.8Very high95.3Very high41 Ų4127 Ų2718%0.17816%0.155CC..EExtended strand (participates in β ladder)trans-122.2128.6178.4-54-171.4176.5-1420111.4L367 V368 L369 E370 E425L367-K396 PolarHBondContact O-N 2.79Å; V368-K396 HydrophobicContact CB-CB 4.42Å; V368-K396 HydrophobicContact CG1-CB 3.98Å; V368-K396 HydrophobicContact CG1-CD 4.13Å; V368-K396 HydrophobicContact CG2-CB 4.43Å; V368-K396 HydrophobicContact CG2-CD 4Å; V368-K396 HydrophobicContact CG2-CG 4.31Å; L369-K396 CarbonylContact C-O 3.57Å; L369-K396 PolarHBondContact N-O 2.89Å; E370-K396 HydrophobicContact CG-CB 4.25Å; E370-K396 WeakPolarHBondContact OE1-CB 3.41Å; E370-K396 WeakPolarHBondContact OE1-CD 3.4Å; K396-E425 HydrophobicContact CB-CB 4.14Å; K396-E425 WeakPolarHBondContact CE-OE1 3.49Å; K396-E425 HydrophobicContact CG-CB 4.13Å; K396-E425 HydrophobicContact CG-CG 4.38Å; K396-E425 IonicContact NZ-OE1 3.58Å; K396-E425 PolarHBondContact NZ-OE1 2.91Å; K396-E425 IonicContact NZ-OE2 3.32Å
397L95.8Very high95.4Very high0 Ų027 Ų270%016%0.155CC..  trans-135.320.1-170.4-62.8173.3000113.2L369 I374 F382 L395 N400 L410 E425 P427L369-L397 HydrophobicContact CB-CD2 4.03Å; L369-L397 HydrophobicContact CD1-CD2 4.49Å; I374-L397 HydrophobicContact CD1-CD2 4.1Å; F382-L397 HydrophobicContact CE1-CD1 4.18Å; F382-L397 HydrophobicContact CE1-CD2 4.2Å; F382-L397 HydrophobicContact CZ-CD1 4.44Å; F382-L397 HydrophobicContact CZ-CD2 3.77Å; L395-L397 HydrophobicContact CD1-CD2 4.18Å; L395-L397 HydrophobicContact CD1-CG 4.28Å; L395-L397 HydrophobicContact CD2-CD1 3.98Å; L395-L397 HydrophobicContact CD2-CG 4.45Å; L395-L397 HydrophobicContact CG-CD1 4.12Å; L395-L397 HydrophobicContact CG-CD2 4.48Å; L395-L397 HydrophobicContact CG-CG 4.05Å; L397-N400 VanDerWaalsContact C-ND2 3.31Å; L397-N400 PolarHBondContact O-N 3.41Å; L397-N400 PolarHBondContact O-ND2 3Å; L397-L410 HydrophobicContact CD1-CD2 3.63Å; L397-E425 PolarHBondContact N-O 3.21Å; L397-P427 VanDerWaalsContact O-CD 3.28Å; L397-P427 WeakPolarHBondContact O-CD 3.34Å
398L92.5Very high95.5Very high19 Ų1927.1 Ų27.110%0.09915%0.145CC..THydrogen-bonded Turntrans-56.4153.4-179.3-61.7175.7000112.4E370 E371 N400 E425 V426 P478E370-L398 CarbonylContact C-O 3.27Å; E370-L398 WeakPolarHBondContact CA-O 3.4Å; E370-L398 HydrophobicContact CB-CB 4.44Å; E370-L398 HydrophobicContact CG-CB 3.99Å; E371-L398 PolarHBondContact N-O 2.8Å; L398-N400 PolarHBondContact O-N 3.47Å; L398-N400 VanDerWaalsContact O-N 3.08Å; L398-N400 PolarHBondContact O-ND2 2.74Å; L398-E425 HydrophobicContact CD1-CB 4.35Å; L398-E425 WeakPolarHBondContact CD1-OE2 3.21Å; L398-E425 HydrophobicContact CD2-CB 4.28Å; L398-E425 HydrophobicContact CG-CB 4.07Å; L398-V426 WeakPolarHBondContact CD2-O 3.49Å; L398-P478 HydrophobicContact CD1-CG 3.69Å
399G89.8Confident95.6Very high22 Ų2232.1 Ų32.123%0.22716%0.158CC..THydrogen-bonded Turntrans69.50.6179.700000116.4
400N94.4Very high95.5Very high1 Ų132.2 Ų32.21%0.00516%0.159CC..  trans-84.9140.4176.6-69.3-76.5000112.6L369 C372 N373 I374 L397 L398 L402 P427L369-N400 PolarHBondContact O-ND2 2.98Å; C372-N400 WeakPolarHBondContact CA-OD1 3.36Å; C372-N400 PolarHBondContact N-OD1 3.07Å; N373-N400 PolarHBondContact N-OD1 3.2Å; I374-N400 HydrophobicContact CB-CB 4.12Å; I374-N400 WeakPolarHBondContact CB-OD1 3.12Å; I374-N400 WeakPolarHBondContact CG1-OD1 3.2Å; I374-N400 PolarHBondContact N-OD1 3.14Å; L397-N400 VanDerWaalsContact C-ND2 3.31Å; L397-N400 PolarHBondContact O-N 3.41Å; L397-N400 PolarHBondContact O-ND2 3Å; L398-N400 PolarHBondContact O-N 3.47Å; L398-N400 VanDerWaalsContact O-N 3.08Å; L398-N400 PolarHBondContact O-ND2 2.74Å; N400-L402 HydrophobicContact CB-CD1 4.2Å; N400-L402 HydrophobicContact CB-CG 4.1Å; N400-L402 PolarHBondContact O-N 3.11Å; N400-P427 VanDerWaalsContact O-CG 3.26Å; N400-P427 WeakPolarHBondContact O-CG 3.36Å
401P94Very high95.6Very high3 Ų326.5 Ų26.52%0.01913%0.132CC..  trans-77.562.3-178.333.2-38.3000113.2I374 E375 Y439I374-P401 WeakPolarHBondContact O-CD 3.37Å; E375-P401 HydrophobicContact CB-CG 4.43Å; E375-P401 HydrophobicContact CG-CB 4.47Å; E375-P401 HydrophobicContact CG-CG 3.54Å; P401-Y439 HydrophobicContact CB-CD1 3.82Å; P401-Y439 HydrophobicContact CB-CD2 4.05Å; P401-Y439 HydrophobicContact CB-CE1 3.78Å; P401-Y439 HydrophobicContact CB-CE2 4.04Å; P401-Y439 HydrophobicContact CB-CG 3.95Å; P401-Y439 HydrophobicContact CG-CD1 4.4Å
402L95.4Very high95.5Very high5 Ų528.5 Ų28.53%0.02614%0.144CC..  trans-96.1126-178.6-62.6170.3000111.7I374 N400 T406 L407 P427 P429 R430I374-L402 HydrophobicContact CG2-CD2 4.12Å; I374-L402 WeakPolarHBondContact O-CD2 3.08Å; N400-L402 HydrophobicContact CB-CD1 4.2Å; N400-L402 HydrophobicContact CB-CG 4.1Å; N400-L402 PolarHBondContact O-N 3.11Å; L402-T406 HydrophobicContact CD2-CG2 3.72Å; L402-L407 HydrophobicContact CB-CD2 3.99Å; L402-L407 HydrophobicContact CB-CG 4.02Å; L402-L407 HydrophobicContact CD1-CD2 3.82Å; L402-P427 HydrophobicContact CB-CG 4.42Å; L402-P427 HydrophobicContact CD1-CG 4.2Å; L402-P429 CarbonylContact O-C 3.59Å; L402-P429 WeakPolarHBondContact O-CA 3.44Å; L402-R430 PolarHBondContact O-N 3.02Å
403S95.8Very high95.2Very high16 Ų1631 Ų3111%0.11216%0.159CC..  trans-74.5162.5174.370.70000112.9D376 V405 T406 L407D376-S403 VanDerWaalsContact CG-OG 3.28Å; D376-S403 PolarHBondContact OD1-N 3.04Å; D376-S403 PolarHBondContact OD1-OG 2.87Å; D376-S403 WeakPolarHBondContact OD2-CB 3.31Å; D376-S403 PolarHBondContact OD2-OG 3.49Å; S403-V405 PolarHBondContact O-N 3.27Å; S403-T406 PolarHBondContact O-N 3.12Å; S403-T406 VanDerWaalsContact O-N 3.12Å; S403-T406 PolarHBondContact OG-N 3.31Å; S403-T406 PolarHBondContact OG-OG1 2.91Å; S403-L407 WeakPolarHBondContact O-CG 3.2Å; S403-L407 PolarHBondContact O-N 3.08Å
404S95.9Very high94.8Very high10 Ų1028.4 Ų28.47%0.0715%0.147CC..Hα-helixtrans-56.8-33.3174.469.10000112.8R408 D431S404-R408 WeakPolarHBondContact O-CG 3.22Å; S404-R408 PolarHBondContact O-N 2.94Å; S404-R408 VanDerWaalsContact O-N 3.08Å; S404-R408 PolarHBondContact O-NH1 3.11Å; S404-R408 PolarHBondContact OG-NH1 3.42Å; S404-D431 WeakPolarHBondContact CB-OD2 3.44Å; S404-D431 PolarHBondContact N-OD1 3.21Å; S404-D431 PolarHBondContact OG-OD2 3.14Å
405V95.8Very high94.4Very high64 Ų6426 Ų2639%0.38814%0.137SC..Hα-helixtrans-65.1-47.7176.4179.30000110.6S403 R408 R409S403-V405 PolarHBondContact O-N 3.27Å; V405-R408 VanDerWaalsContact CA-NH2 3.3Å; V405-R408 PolarHBondContact O-N 3.3Å; V405-R409 WeakPolarHBondContact O-CG 3.21Å; V405-R409 PolarHBondContact O-N 3.32Å; V405-R409 VanDerWaalsContact O-N 3.12Å
406T96.6Very high93.8Very high6 Ų631.7 Ų31.74%0.03717%0.172CC..Hα-helixtrans-65.7-43.1179.7-620000111.6D376 L379 L402 S403 R408 R409 L410D376-T406 WeakPolarHBondContact CB-OG1 3.14Å; D376-T406 WeakPolarHBondContact OD1-CB 3.11Å; D376-T406 PolarHBondContact OD1-OG1 3.26Å; D376-T406 PolarHBondContact OD2-OG1 3.22Å; L379-T406 HydrophobicContact CB-CG2 4.05Å; L379-T406 HydrophobicContact CD1-CG2 3.96Å; L379-T406 HydrophobicContact CD2-CG2 4.01Å; L379-T406 HydrophobicContact CG-CG2 4.2Å; L402-T406 HydrophobicContact CD2-CG2 3.72Å; S403-T406 PolarHBondContact O-N 3.12Å; S403-T406 VanDerWaalsContact O-N 3.12Å; S403-T406 PolarHBondContact OG-N 3.31Å; S403-T406 PolarHBondContact OG-OG1 2.91Å; T406-R408 PolarHBondContact O-N 3.03Å; T406-R409 PolarHBondContact O-N 2.91Å; T406-R409 VanDerWaalsContact O-N 3.17Å; T406-L410 WeakPolarHBondContact O-CB 3.25Å; T406-L410 PolarHBondContact O-N 3.21Å
407L96.8Very high93.4Very high1 Ų131 Ų311%0.00518%0.177CC..Hα-helixtrans-60.2-43175.8-71.2171.8000111.9L402 S403 R409 L410 F411 V426 P429 L461L402-L407 HydrophobicContact CB-CD2 3.99Å; L402-L407 HydrophobicContact CB-CG 4.02Å; L402-L407 HydrophobicContact CD1-CD2 3.82Å; S403-L407 WeakPolarHBondContact O-CG 3.2Å; S403-L407 PolarHBondContact O-N 3.08Å; L407-R409 VanDerWaalsContact C-N 3.33Å; L407-R409 PolarHBondContact O-N 2.95Å; L407-L410 PolarHBondContact O-N 2.94Å; L407-F411 VanDerWaalsContact O-CD2 3.25Å; L407-F411 WeakPolarHBondContact O-CD2 3.23Å; L407-F411 PolarHBondContact O-N 3.01Å; L407-V426 HydrophobicContact CD2-CB 4.23Å; L407-V426 HydrophobicContact CD2-CG1 4.21Å; L407-P429 HydrophobicContact CD1-CB 4.06Å; L407-P429 HydrophobicContact CD1-CG 3.82Å; L407-L461 HydrophobicContact CB-CD1 4.33Å; L407-L461 HydrophobicContact CB-CD2 3.97Å
408R96.1Very high93.3Very high67 Ų6731.2 Ų31.225%0.25318%0.178SC..Hα-helixtrans-60.9-41.3175-75.2-173.1-64.7-86.8-5.6112.4S404 V405 T406 S412 L461 I464S404-R408 WeakPolarHBondContact O-CG 3.22Å; S404-R408 PolarHBondContact O-N 2.94Å; S404-R408 VanDerWaalsContact O-N 3.08Å; S404-R408 PolarHBondContact O-NH1 3.11Å; S404-R408 PolarHBondContact OG-NH1 3.42Å; V405-R408 VanDerWaalsContact CA-NH2 3.3Å; V405-R408 PolarHBondContact O-N 3.3Å; T406-R408 PolarHBondContact O-N 3.03Å; R408-S412 PolarHBondContact O-N 2.83Å; R408-S412 VanDerWaalsContact O-N 3.1Å; R408-S412 PolarHBondContact O-OG 3.32Å; R408-L461 HydrophobicContact CG-CD2 3.95Å; R408-I464 HydrophobicContact CB-CD1 3.92Å; R408-I464 HydrophobicContact CG-CD1 3.94Å
409R95.6Very high93.2Very high154 Ų15434.5 Ų34.558%0.58120%0.2SC*.Hα-helixtrans-66-45176.2-70.7176.9178.3178.11.1111.2L379 V405 T406 L407 F411 S412 T413L379-R409 HydrophobicContact CD2-CB 3.56Å; L379-R409 HydrophobicContact CD2-CG 4.36Å; V405-R409 WeakPolarHBondContact O-CG 3.21Å; V405-R409 PolarHBondContact O-N 3.32Å; V405-R409 VanDerWaalsContact O-N 3.12Å; T406-R409 PolarHBondContact O-N 2.91Å; T406-R409 VanDerWaalsContact O-N 3.17Å; L407-R409 VanDerWaalsContact C-N 3.33Å; L407-R409 PolarHBondContact O-N 2.95Å; R409-F411 PolarHBondContact O-N 3.44Å; R409-S412 WeakPolarHBondContact O-CB 3.49Å; R409-S412 PolarHBondContact O-N 2.99Å; R409-S412 VanDerWaalsContact O-N 3.15Å; R409-T413 PolarHBondContact O-N 3.2Å; R409-T413 PolarHBondContact O-OG1 3.03Å
410L95.3Very high93.5Very high2 Ų239.2 Ų39.21%0.0122%0.215CC..Hα-helixtrans-56-49.7175.6179.264.3000111.1L379 F382 T383 L397 T406 L407 S412 T413 L414L379-L410 HydrophobicContact CD1-CB 4.05Å; L379-L410 HydrophobicContact CD1-CD1 4.27Å; F382-L410 HydrophobicContact CD1-CD1 4.31Å; F382-L410 HydrophobicContact CE1-CD1 4.1Å; T383-L410 HydrophobicContact CG2-CD1 4.25Å; L397-L410 HydrophobicContact CD1-CD2 3.63Å; T406-L410 WeakPolarHBondContact O-CB 3.25Å; T406-L410 PolarHBondContact O-N 3.21Å; L407-L410 PolarHBondContact O-N 2.94Å; L410-S412 VanDerWaalsContact C-N 3.28Å; L410-S412 PolarHBondContact O-N 2.86Å; L410-T413 WeakPolarHBondContact O-CB 3.26Å; L410-T413 PolarHBondContact O-N 2.81Å; L410-L414 HydrophobicContact CD1-CD1 4.22Å; L410-L414 HydrophobicContact CD1-CG 4.16Å; L410-L414 HydrophobicContact CD2-CD1 4.44Å; L410-L414 HydrophobicContact CG-CD1 3.86Å; L410-L414 HydrophobicContact CG-CG 4.23Å; L410-L414 VanDerWaalsContact O-CG 3.29Å; L410-L414 WeakPolarHBondContact O-CG 3.46Å; L410-L414 PolarHBondContact O-N 2.74Å
411F95.3Very high93.6Very high2 Ų239.4 Ų39.41%0.00922%0.215CC..Hα-helixtrans-61.1-36.1177.9-87.1-123.4000112.7L407 R409 T413 L414 T415 I424 V426 L461 I464 L465 V475L407-F411 VanDerWaalsContact O-CD2 3.25Å; L407-F411 WeakPolarHBondContact O-CD2 3.23Å; L407-F411 PolarHBondContact O-N 3.01Å; R409-F411 PolarHBondContact O-N 3.44Å; F411-T413 VanDerWaalsContact C-N 3.33Å; F411-T413 PolarHBondContact O-N 3.21Å; F411-L414 PolarHBondContact O-N 3.13Å; F411-T415 WeakPolarHBondContact O-CB 3.14Å; F411-T415 VanDerWaalsContact O-CG2 3.3Å; F411-T415 WeakPolarHBondContact O-CG2 3.49Å; F411-T415 PolarHBondContact O-N 3.08Å; F411-T415 PolarHBondContact O-OG1 2.67Å; F411-I424 HydrophobicContact CE2-CD1 4.02Å; F411-I424 HydrophobicContact CZ-CD1 4.29Å; F411-I424 HydrophobicContact CZ-CG2 4.11Å; F411-V426 HydrophobicContact CE2-CG1 3.77Å; F411-V426 HydrophobicContact CZ-CG1 4.17Å; F411-V426 HydrophobicContact CZ-CG2 4.46Å; F411-L461 HydrophobicContact CB-CD2 4.36Å; F411-L461 HydrophobicContact CD1-CB 3.92Å; F411-L461 HydrophobicContact CD1-CD2 4.24Å; F411-L461 HydrophobicContact CD2-CD2 3.92Å; F411-L461 HydrophobicContact CE1-CB 3.79Å; F411-L461 HydrophobicContact CE2-CD1 4.22Å; F411-L461 HydrophobicContact CE2-CD2 4.25Å; F411-L461 HydrophobicContact CG-CB 4.46Å; F411-L461 HydrophobicContact CG-CD2 3.91Å; F411-L461 HydrophobicContact CZ-CB 4.21Å; F411-L461 HydrophobicContact CZ-CD1 4.17Å; F411-I464 HydrophobicContact CB-CD1 4.38Å; F411-I464 HydrophobicContact CB-CG2 4.07Å; F411-L465 HydrophobicContact CD1-CD1 4.09Å; F411-L465 HydrophobicContact CD1-CD2 4.18Å; F411-L465 HydrophobicContact CD1-CG 3.91Å; F411-L465 HydrophobicContact CE1-CD1 3.81Å; F411-L465 HydrophobicContact CE1-CG 4.17Å; F411-V475 HydrophobicContact CE1-CG1 4.24Å; F411-V475 HydrophobicContact CE1-CG2 3.9Å; F411-V475 HydrophobicContact CZ-CG1 3.91Å; F411-V475 HydrophobicContact CZ-CG2 4.25Å
412S93.6Very high93.6Very high56 Ų5646.9 Ų46.939%0.39224%0.243SC..Hα-helixtrans-65.3-37175.1-55.50000111.8R408 R409 L410 T415 T416R408-S412 PolarHBondContact O-N 2.83Å; R408-S412 VanDerWaalsContact O-N 3.1Å; R408-S412 PolarHBondContact O-OG 3.32Å; R409-S412 WeakPolarHBondContact O-CB 3.49Å; R409-S412 PolarHBondContact O-N 2.99Å; R409-S412 VanDerWaalsContact O-N 3.15Å; L410-S412 VanDerWaalsContact C-N 3.28Å; L410-S412 PolarHBondContact O-N 2.86Å; S412-T415 PolarHBondContact O-OG1 2.95Å; S412-T416 PolarHBondContact O-OG1 3.4Å; S412-T416 VanDerWaalsContact O-OG1 3.09Å
413T92Very high93.6Very high51 Ų5148.9 Ų48.931%0.31325%0.251SS..Hα-helixtrans-72.3-41.5173.7-54.60000111.8T383 R409 L410 F411 T415 T416 G417T383-T413 HydrophobicContact CG2-CG2 3.91Å; R409-T413 PolarHBondContact O-N 3.2Å; R409-T413 PolarHBondContact O-OG1 3.03Å; L410-T413 WeakPolarHBondContact O-CB 3.26Å; L410-T413 PolarHBondContact O-N 2.81Å; F411-T413 VanDerWaalsContact C-N 3.33Å; F411-T413 PolarHBondContact O-N 3.21Å; T413-T415 PolarHBondContact O-N 2.93Å; T413-T416 PolarHBondContact O-N 3.1Å; T413-T416 PolarHBondContact O-OG1 2.91Å; T413-G417 PolarHBondContact O-N 3.23Å
414L89.3Confident93.6Very high4 Ų448.1 Ų48.12%0.02125%0.246CC..Hα-helixtrans-63.6-41.2-178.9-70.9174.9000112.2L395 L410 F411 T416 F418 L421 I424L395-L414 HydrophobicContact CD2-CD1 4.3Å; L395-L414 HydrophobicContact CD2-CD2 4.09Å; L410-L414 HydrophobicContact CD1-CD1 4.22Å; L410-L414 HydrophobicContact CD1-CG 4.16Å; L410-L414 HydrophobicContact CD2-CD1 4.44Å; L410-L414 HydrophobicContact CG-CD1 3.86Å; L410-L414 HydrophobicContact CG-CG 4.23Å; L410-L414 VanDerWaalsContact O-CG 3.29Å; L410-L414 WeakPolarHBondContact O-CG 3.46Å; L410-L414 PolarHBondContact O-N 2.74Å; F411-L414 PolarHBondContact O-N 3.13Å; L414-T416 VanDerWaalsContact C-N 3.27Å; L414-T416 PolarHBondContact O-N 3.5Å; L414-F418 HydrophobicContact CD2-CD2 3.72Å; L414-F418 HydrophobicContact CD2-CE2 3.95Å; L414-F418 HydrophobicContact CD2-CG 4.1Å; L414-F418 WeakPolarHBondContact O-CB 3.33Å; L414-F418 PolarHBondContact O-N 2.9Å; L414-F418 VanDerWaalsContact O-N 3.14Å; L414-L421 HydrophobicContact CB-CD2 4.2Å; L414-L421 HydrophobicContact CD1-CD2 4.23Å; L414-L421 HydrophobicContact CD2-CD2 4.4Å; L414-I424 HydrophobicContact CD1-CD1 3.42Å; L414-I424 VanDerWaalsContact CD1-CD1 3.42Å
415T88.2Confident93.5Very high23 Ų2347.8 Ų47.814%0.14124%0.243CC..Hα-helixtrans-64.1-30.9178.846.10000113.3F411 S412 T413 I464 L465 A468 R470F411-T415 WeakPolarHBondContact O-CB 3.14Å; F411-T415 VanDerWaalsContact O-CG2 3.3Å; F411-T415 WeakPolarHBondContact O-CG2 3.49Å; F411-T415 PolarHBondContact O-N 3.08Å; F411-T415 PolarHBondContact O-OG1 2.67Å; S412-T415 PolarHBondContact O-OG1 2.95Å; T413-T415 PolarHBondContact O-N 2.93Å; T415-I464 HydrophobicContact CG2-CG2 4.35Å; T415-L465 HydrophobicContact CG2-CD2 3.47Å; T415-L465 VanDerWaalsContact CG2-CD2 3.47Å; T415-L465 HydrophobicContact CG2-CG 4.49Å; T415-A468 HydrophobicContact CG2-CB 3.69Å; T415-R470 HydrophobicContact CG2-CB 4.46Å; T415-R470 HydrophobicContact CG2-CG 4.49Å
416T86Confident93.4Very high119 Ų11944.9 Ų44.973%0.7323%0.225SC*.Hα-helixtrans-92.7-37-177.151.50000113.5S412 T413 L414S412-T416 PolarHBondContact O-OG1 3.4Å; S412-T416 VanDerWaalsContact O-OG1 3.09Å; T413-T416 PolarHBondContact O-N 3.1Å; T413-T416 PolarHBondContact O-OG1 2.91Å; L414-T416 VanDerWaalsContact C-N 3.27Å; L414-T416 PolarHBondContact O-N 3.5Å
417G87.3Confident93.2Very high27 Ų2745 Ų4528%0.27823%0.226SC..Hα-helixtrans-96.7-17.7-173.600000116.1T413 P419T413-G417 PolarHBondContact O-N 3.23Å; G417-P419 VanDerWaalsContact O-CD 3.31Å; G417-P419 WeakPolarHBondContact O-CD 3.46Å
418F93.1Very high93Very high4 Ų445 Ų452%0.01823%0.227CC..  trans-125.877.5-167-58.7-96.9000111.1L386 C389 L392 L414 K420 L421 R470L386-F418 HydrophobicContact CB-CE1 4Å; L386-F418 HydrophobicContact CB-CZ 3.56Å; L386-F418 VanDerWaalsContact O-CE1 3.28Å; L386-F418 WeakPolarHBondContact O-CE1 3.49Å; L386-F418 VanDerWaalsContact O-CZ 3.32Å; L386-F418 WeakPolarHBondContact O-CZ 3.49Å; C389-F418 HydrophobicContact CB-CE1 4.48Å; C389-F418 WeakPolarHBondContact O-CD1 3.39Å; C389-F418 WeakPolarHBondContact O-CE1 3.12Å; L392-F418 HydrophobicContact CB-CD1 4.03Å; L392-F418 HydrophobicContact CD2-CD1 4.3Å; L392-F418 HydrophobicContact CD2-CE1 4.39Å; L414-F418 HydrophobicContact CD2-CD2 3.72Å; L414-F418 HydrophobicContact CD2-CE2 3.95Å; L414-F418 HydrophobicContact CD2-CG 4.1Å; L414-F418 WeakPolarHBondContact O-CB 3.33Å; L414-F418 PolarHBondContact O-N 2.9Å; L414-F418 VanDerWaalsContact O-N 3.14Å; F418-K420 PolarHBondContact O-N 3.33Å; F418-L421 HydrophobicContact CB-CB 4.18Å; F418-L421 PolarHBondContact O-N 3.48Å; F418-R470 PolarHBondContact O-NH1 3.42Å; F418-R470 PolarHBondContact O-NH2 3.1Å; F418-R470 VanDerWaalsContact O-NH2 3.11Å
419P91.9Very high92.9Very high88 Ų8842 Ų4257%0.57122%0.215SC*.THydrogen-bonded Turntrans-68.2-20.6-173.227.6-35.6000113.4G417G417-P419 VanDerWaalsContact O-CD 3.31Å; G417-P419 WeakPolarHBondContact O-CD 3.46Å
420K95.2Very high92.8Very high121 Ų12139.4 Ų39.453%0.52621%0.206SC..THydrogen-bonded Turntrans-95.5-4-178.6-62.1-169.2-171.7171.60114.4L392 Q393 F418 R422L392-K420 CarbonylContact O-C 3.46Å; L392-K420 VanDerWaalsContact O-C 3.27Å; Q393-K420 WeakPolarHBondContact CA-O 3.03Å; Q393-K420 HydrophobicContact CG-CB 4.21Å; F418-K420 PolarHBondContact O-N 3.33Å; K420-R422 PolarHBondContact O-N 3.1Å
421L96Very high92.7Very high4 Ų442.2 Ų42.22%0.02122%0.221CC..  trans-59.2133.4180-166.174.9000110.1L392 L395 L414 F418 R470 V473L392-L421 WeakPolarHBondContact O-CA 3.18Å; L392-L421 PolarHBondContact O-N 3.26Å; L392-L421 VanDerWaalsContact O-N 3.1Å; L395-L421 HydrophobicContact CB-CD1 4.24Å; L414-L421 HydrophobicContact CB-CD2 4.2Å; L414-L421 HydrophobicContact CD1-CD2 4.23Å; L414-L421 HydrophobicContact CD2-CD2 4.4Å; F418-L421 HydrophobicContact CB-CB 4.18Å; F418-L421 PolarHBondContact O-N 3.48Å; L421-R470 PolarHBondContact O-NH2 3.16Å; L421-V473 HydrophobicContact CD2-CG1 4.32Å; L421-V473 HydrophobicContact CG-CG1 4.42Å; L421-V473 WeakPolarHBondContact O-CG2 3.29Å
422R95.2Very high92.6Very high160 Ų16042.3 Ų42.360%0.60422%0.222SC*.  trans-129.4-24.9-179.1-71.2176-179-179-0.2112.5Q393 K420 V473 E474Q393-R422 PolarHBondContact O-N 3.25Å; K420-R422 PolarHBondContact O-N 3.1Å; R422-V473 CarbonylContact O-C 3.58Å; R422-V473 WeakPolarHBondContact O-CA 3.49Å; R422-E474 PolarHBondContact O-N 3.42Å
423Y94.9Very high92.6Very high47 Ų4740.5 Ų40.518%0.18421%0.207CC..EExtended strand (participates in β ladder)trans-143.1133.9-173.8-175.8-96.3000110.1Q393 E394 L395 E425 E474 C476Q393-Y423 PolarHBondContact O-N 3.47Å; Q393-Y423 VanDerWaalsContact O-N 3.13Å; E394-Y423 WeakPolarHBondContact CA-O 3.31Å; L395-Y423 PolarHBondContact N-O 3.36Å; L395-Y423 VanDerWaalsContact N-O 3.16Å; Y423-E425 HydrophobicContact CE1-CG 3.49Å; Y423-E425 VanDerWaalsContact CE1-CG 3.49Å; Y423-E425 WeakPolarHBondContact CE1-OE1 3.38Å; Y423-E425 VanDerWaalsContact CZ-OE1 3.23Å; Y423-E425 VanDerWaalsContact OH-CD 3.27Å; Y423-E425 VanDerWaalsContact OH-CG 3.27Å; Y423-E425 WeakPolarHBondContact OH-CG 2.94Å; Y423-E425 PolarHBondContact OH-OE1 3.45Å; Y423-E474 CarbonylContact C-O 3.56Å; Y423-E474 WeakPolarHBondContact CA-O 3.37Å; Y423-E474 HydrophobicContact CD2-CB 3.94Å; Y423-E474 HydrophobicContact CD2-CG 3.94Å; Y423-E474 HydrophobicContact CE2-CG 4.07Å; Y423-C476 HydrophobicContact CE2-CB 4.38Å
424I95.3Very high92.4Very high1 Ų141.8 Ų41.81%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-139.4129.1174.1-173.8169.6000111.4L395 F411 L414 V426 V473 E474 V475 C476L395-I424 HydrophobicContact CB-CG1 4.38Å; L395-I424 HydrophobicContact CD2-CD1 4.26Å; L395-I424 CarbonylContact O-C 3.44Å; L395-I424 VanDerWaalsContact O-CA 3.25Å; L395-I424 WeakPolarHBondContact O-CA 3.42Å; L395-I424 WeakPolarHBondContact O-CG1 3.22Å; F411-I424 HydrophobicContact CE2-CD1 4.02Å; F411-I424 HydrophobicContact CZ-CD1 4.29Å; F411-I424 HydrophobicContact CZ-CG2 4.11Å; L414-I424 HydrophobicContact CD1-CD1 3.42Å; L414-I424 VanDerWaalsContact CD1-CD1 3.42Å; I424-V426 HydrophobicContact CD1-CG1 3.72Å; I424-V426 HydrophobicContact CG1-CG1 3.73Å; I424-V473 HydrophobicContact CG2-CG1 4.16Å; I424-E474 PolarHBondContact N-O 3.49Å; I424-V475 HydrophobicContact CG2-CB 4.21Å; I424-V475 HydrophobicContact CG2-CG1 4.19Å; I424-V475 HydrophobicContact CG2-CG2 3.75Å; I424-V475 WeakPolarHBondContact O-CA 3.3Å; I424-C476 PolarHBondContact O-N 2.92Å
425E94.8Very high92.1Very high2 Ų250.5 Ų50.51%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-102.4122168.1-74172-152.200109.4L395 K396 L397 L398 Y423 C476 P478L395-E425 PolarHBondContact O-N 3.17Å; K396-E425 HydrophobicContact CB-CB 4.14Å; K396-E425 WeakPolarHBondContact CE-OE1 3.49Å; K396-E425 HydrophobicContact CG-CB 4.13Å; K396-E425 HydrophobicContact CG-CG 4.38Å; K396-E425 IonicContact NZ-OE1 3.58Å; K396-E425 PolarHBondContact NZ-OE1 2.91Å; K396-E425 IonicContact NZ-OE2 3.32Å; L397-E425 PolarHBondContact N-O 3.21Å; L398-E425 HydrophobicContact CD1-CB 4.35Å; L398-E425 WeakPolarHBondContact CD1-OE2 3.21Å; L398-E425 HydrophobicContact CD2-CB 4.28Å; L398-E425 HydrophobicContact CG-CB 4.07Å; Y423-E425 HydrophobicContact CE1-CG 3.49Å; Y423-E425 VanDerWaalsContact CE1-CG 3.49Å; Y423-E425 WeakPolarHBondContact CE1-OE1 3.38Å; Y423-E425 VanDerWaalsContact CZ-OE1 3.23Å; Y423-E425 VanDerWaalsContact OH-CD 3.27Å; Y423-E425 VanDerWaalsContact OH-CG 3.27Å; Y423-E425 WeakPolarHBondContact OH-CG 2.94Å; Y423-E425 PolarHBondContact OH-OE1 3.45Å; E425-C476 WeakPolarHBondContact CA-O 3.44Å; E425-C476 HydrophobicContact CG-CB 4.05Å; E425-P478 HydrophobicContact CG-CG 4.36Å
426V93.7Very high92Very high3 Ų356.6 Ų56.62%0.01829%0.29CS..  trans-123.7145.3179.5-69.20000111.3L398 L407 F411 I424 V475 C476 T477L398-V426 WeakPolarHBondContact CD2-O 3.49Å; L407-V426 HydrophobicContact CD2-CB 4.23Å; L407-V426 HydrophobicContact CD2-CG1 4.21Å; F411-V426 HydrophobicContact CE2-CG1 3.77Å; F411-V426 HydrophobicContact CZ-CG1 4.17Å; F411-V426 HydrophobicContact CZ-CG2 4.46Å; I424-V426 HydrophobicContact CD1-CG1 3.72Å; I424-V426 HydrophobicContact CG1-CG1 3.73Å; V426-V475 HydrophobicContact CG2-CG1 4.11Å; V426-C476 PolarHBondContact N-O 2.86Å; V426-T477 WeakPolarHBondContact O-CB 3.42Å; V426-T477 WeakPolarHBondContact O-CG2 3.37Å; V426-T477 PolarHBondContact O-OG1 3.45Å
427P92.5Very high92Very high8 Ų852.4 Ų52.45%0.05226%0.264CS..PPolyproline II helixtrans-68.3160.4179.629.8-31.5000110.2L397 N400 L402L397-P427 VanDerWaalsContact O-CD 3.28Å; L397-P427 WeakPolarHBondContact O-CD 3.34Å; N400-P427 VanDerWaalsContact O-CG 3.26Å; N400-P427 WeakPolarHBondContact O-CG 3.36Å; L402-P427 HydrophobicContact CB-CG 4.42Å; L402-P427 HydrophobicContact CD1-CG 4.2Å
428A92.3Very high92Very high3 Ų355 Ų553%0.02528%0.282CS..PPolyproline II helixtrans-57.9132.8160.600000108R430 Y433 F454 L479A428-R430 PolarHBondContact O-N 3.47Å; A428-Y433 HydrophobicContact CB-CE2 3.79Å; A428-F454 HydrophobicContact CB-CD2 4.16Å; A428-F454 HydrophobicContact CB-CE2 4.35Å; A428-L479 HydrophobicContact CB-CD2 3.99Å
429P94.1Very high91.6Very high2 Ų257.1 Ų57.11%0.01329%0.291CS..PPolyproline II helixtrans-55.1141.1-177.4-22.530.4000111.7L402 L407 D431 C432 T457L402-P429 CarbonylContact O-C 3.59Å; L402-P429 WeakPolarHBondContact O-CA 3.44Å; L407-P429 HydrophobicContact CD1-CB 4.06Å; L407-P429 HydrophobicContact CD1-CG 3.82Å; P429-D431 WeakPolarHBondContact CB-OD1 3.35Å; P429-D431 PolarHBondContact O-N 2.83Å; P429-D431 VanDerWaalsContact O-N 3.14Å; P429-C432 VanDerWaalsContact O-CB 3.23Å; P429-C432 WeakPolarHBondContact O-CB 3.37Å; P429-C432 PolarHBondContact O-N 3.01Å; P429-T457 HydrophobicContact CG-CG2 3.69Å
430R93.4Very high91.3Very high100 Ų10057.2 Ų57.238%0.37729%0.292SS..G310 helixtrans-53.3-37-180179.7179.1179.5163.41.4112.5L402 A428 C432 Y433 Y439L402-R430 PolarHBondContact O-N 3.02Å; A428-R430 PolarHBondContact O-N 3.47Å; R430-C432 PolarHBondContact O-N 3.12Å; R430-Y433 PolarHBondContact O-N 3.03Å; R430-Y433 VanDerWaalsContact O-N 3.08Å; R430-Y439 HydrophobicContact CG-CE2 4.29Å
431D93.8Very high90.8Very high61 Ų6152.8 Ų52.833%0.32627%0.273SS..G310 helixtrans-68.3-9.2177.549.7-39.6000114.2S404 P429 Y433 L453S404-D431 WeakPolarHBondContact CB-OD2 3.44Å; S404-D431 PolarHBondContact N-OD1 3.21Å; S404-D431 PolarHBondContact OG-OD2 3.14Å; P429-D431 WeakPolarHBondContact CB-OD1 3.35Å; P429-D431 PolarHBondContact O-N 2.83Å; P429-D431 VanDerWaalsContact O-N 3.14Å; D431-Y433 VanDerWaalsContact C-N 3.3Å; D431-L453 HydrophobicContact CB-CD2 4.4Å; D431-L453 WeakPolarHBondContact O-CD2 3.03Å
432C93.1Very high90.2Very high5 Ų559.5 Ų59.53%0.03431%0.305CS..G310 helixtrans-79.7-12.4169.3-61.60000113P429 R430 Y449 N450P429-C432 VanDerWaalsContact O-CB 3.23Å; P429-C432 WeakPolarHBondContact O-CB 3.37Å; P429-C432 PolarHBondContact O-N 3.01Å; R430-C432 PolarHBondContact O-N 3.12Å; C432-Y449 HydrophobicContact CB-CD2 4.45Å; C432-Y449 CarbonylContact O-C 3.4Å; C432-Y449 WeakPolarHBondContact O-CA 3.39Å; C432-N450 PolarHBondContact O-N 2.93Å
433Y92.2Very high89.3Confident18 Ų1858.4 Ų58.47%0.07131%0.311CS..SBendtrans-106.9167.2178.1-61.1-82.7000111A428 R430 D431 L441 V445 L446 Y449A428-Y433 HydrophobicContact CB-CE2 3.79Å; R430-Y433 PolarHBondContact O-N 3.03Å; R430-Y433 VanDerWaalsContact O-N 3.08Å; D431-Y433 VanDerWaalsContact C-N 3.3Å; Y433-L441 HydrophobicContact CD2-CD1 4.35Å; Y433-L441 HydrophobicContact CE1-CD1 4.12Å; Y433-L441 HydrophobicContact CE2-CD1 3.85Å; Y433-V445 HydrophobicContact CD1-CG1 4.32Å; Y433-V445 VanDerWaalsContact CE1-O 3.3Å; Y433-V445 WeakPolarHBondContact CE1-O 3.48Å; Y433-L446 PolarHBondContact OH-O 3.49Å; Y433-Y449 VanDerWaalsContact CE1-CB 3.5Å; Y433-Y449 HydrophobicContact CE1-CG 4.5Å
434S88.5Confident88.7Confident77 Ų7760 Ų6054%0.53833%0.334SS..  trans-64.9150.2172.7-173.30000111.5D436 V437S434-D436 PolarHBondContact O-N 3.1Å; S434-V437 WeakPolarHBondContact O-CG2 3.36Å; S434-V437 PolarHBondContact O-N 2.92Å
435E83.4Confident88.2Confident187 Ų18762.1 Ų62.187%0.87435%0.347SS*.THydrogen-bonded Turntrans-63.3-26.6180-65.7-172.6169.400113.1V437E435-V437 VanDerWaalsContact C-N 3.26Å; E435-V437 PolarHBondContact O-N 3.5Å
436D84.5Confident87.7Confident151 Ų15163.6 Ų63.681%0.80735%0.354SS*.THydrogen-bonded Turntrans-80.4-0.7-176.7-61.5-45.4000114.2S434S434-D436 PolarHBondContact O-N 3.1Å
437V87.5Confident87.2Confident31 Ų3167 Ų6719%0.18837%0.372CS..  trans-76.2129.1-175.2177.20000111.1S434 E435 L441 V445S434-V437 WeakPolarHBondContact O-CG2 3.36Å; S434-V437 PolarHBondContact O-N 2.92Å; E435-V437 VanDerWaalsContact C-N 3.26Å; E435-V437 PolarHBondContact O-N 3.5Å; V437-L441 HydrophobicContact CB-CD2 4.46Å; V437-L441 HydrophobicContact CG1-CD2 3.12Å; V437-V445 HydrophobicContact CG1-CG1 3.79Å; V437-V445 HydrophobicContact CG2-CG1 3.88Å
438A86.8Confident87Confident81 Ų8172.9 Ų72.967%0.66940%0.403SS*.  trans-84.6146.5172.200000111.2
439Y85.5Confident86.8Confident49 Ų4974.5 Ų74.519%0.19241%0.409CS..SBendtrans-106.9147.1172.7-78.2-105.6000109.9P401 R430 L441P401-Y439 HydrophobicContact CB-CD1 3.82Å; P401-Y439 HydrophobicContact CB-CD2 4.05Å; P401-Y439 HydrophobicContact CB-CE1 3.78Å; P401-Y439 HydrophobicContact CB-CE2 4.04Å; P401-Y439 HydrophobicContact CB-CG 3.95Å; P401-Y439 HydrophobicContact CG-CD1 4.4Å; R430-Y439 HydrophobicContact CG-CE2 4.29Å; Y439-L441 HydrophobicContact CD1-CD2 4.28Å; Y439-L441 HydrophobicContact CD1-CG 3.99Å; Y439-L441 HydrophobicContact CD2-CD2 4.3Å; Y439-L441 HydrophobicContact CE1-CD1 3.98Å; Y439-L441 HydrophobicContact CE1-CD2 3.98Å; Y439-L441 HydrophobicContact CE1-CG 3.71Å; Y439-L441 HydrophobicContact CE2-CD2 3.98Å; Y439-L441 HydrophobicContact CG-CD2 4.44Å
440P84.2Confident86.7Confident91 Ų9178.3 Ų78.359%0.59143%0.429SS*.SBendcis-63.6150.3-428.2-35.4000112.9
441L84.7Confident86.6Confident27 Ų2781.4 Ų81.414%0.14144%0.441CS..PPolyproline II helixtrans-70.5135.1-177-64.5179.1000110.7Y433 V437 Y439 V445 L446Y433-L441 HydrophobicContact CD2-CD1 4.35Å; Y433-L441 HydrophobicContact CE1-CD1 4.12Å; Y433-L441 HydrophobicContact CE2-CD1 3.85Å; V437-L441 HydrophobicContact CB-CD2 4.46Å; V437-L441 HydrophobicContact CG1-CD2 3.12Å; Y439-L441 HydrophobicContact CD1-CD2 4.28Å; Y439-L441 HydrophobicContact CD1-CG 3.99Å; Y439-L441 HydrophobicContact CD2-CD2 4.3Å; Y439-L441 HydrophobicContact CE1-CD1 3.98Å; Y439-L441 HydrophobicContact CE1-CD2 3.98Å; Y439-L441 HydrophobicContact CE1-CG 3.71Å; Y439-L441 HydrophobicContact CE2-CD2 3.98Å; Y439-L441 HydrophobicContact CG-CD2 4.44Å; L441-V445 HydrophobicContact CD2-CG1 4.41Å; L441-L446 HydrophobicContact CB-CD1 4.37Å; L441-L446 HydrophobicContact CD1-CD1 3.78Å
442E82.9Confident86.6Confident146 Ų14685 Ų8568%0.68246%0.46SS*.PPolyproline II helixtrans-71.5146167.1-63.5-177.2-17900110.6A444 V445 L446E442-A444 PolarHBondContact O-N 3.17Å; E442-V445 HydrophobicContact CB-CG2 4.41Å; E442-V445 PolarHBondContact O-N 3.46Å; E442-L446 PolarHBondContact O-N 2.76Å
443D78.3Confident86.6Confident137 Ų13786.7 Ų86.773%0.73347%0.469SS*.Hα-helixtrans-50.7-36179.7-67.9-15.1000113.4V445D443-V445 VanDerWaalsContact C-N 3.35Å
444A80.8Confident86.6Confident81 Ų8186.4 Ų86.467%0.66947%0.468SS*.Hα-helixtrans-66.1-36.9178.600000112.5E442E442-A444 PolarHBondContact O-N 3.17Å
445V84.6Confident86.8Confident44 Ų4487.9 Ų87.927%0.26747%0.466SS..Hα-helixtrans-82.4-32.9179.7-176.80000110.7Y433 V437 L441 E442 D443 L447 D448Y433-V445 HydrophobicContact CD1-CG1 4.32Å; Y433-V445 VanDerWaalsContact CE1-O 3.3Å; Y433-V445 WeakPolarHBondContact CE1-O 3.48Å; V437-V445 HydrophobicContact CG1-CG1 3.79Å; V437-V445 HydrophobicContact CG2-CG1 3.88Å; L441-V445 HydrophobicContact CD2-CG1 4.41Å; E442-V445 HydrophobicContact CB-CG2 4.41Å; E442-V445 PolarHBondContact O-N 3.46Å; D443-V445 VanDerWaalsContact C-N 3.35Å; V445-L447 PolarHBondContact O-N 3.3Å; V445-L447 VanDerWaalsContact O-N 3.1Å; V445-D448 PolarHBondContact O-N 3.44Å
446L84.1Confident87.3Confident33 Ų3384.8 Ų84.817%0.17345%0.452CS..Hα-helixtrans-53.6-35.2-177.2-173.761.1000113.2Y433 L441 E442 L479Y433-L446 PolarHBondContact OH-O 3.49Å; L441-L446 HydrophobicContact CB-CD1 4.37Å; L441-L446 HydrophobicContact CD1-CD1 3.78Å; E442-L446 PolarHBondContact O-N 2.76Å; L446-L479 HydrophobicContact CD1-CD2 4.25Å; L446-L479 WeakPolarHBondContact CD2-O 3.4Å
447L84.4Confident87.8Confident75 Ų7577.7 Ų77.739%0.39341%0.414SS..THydrogen-bonded Turntrans-87.5-14.6179.3-61.7176.4000114.4V445 Y449 M480V445-L447 PolarHBondContact O-N 3.3Å; V445-L447 VanDerWaalsContact O-N 3.1Å; L447-Y449 VanDerWaalsContact C-N 3.32Å; L447-Y449 PolarHBondContact O-N 3.13Å; L447-M480 HydrophobicContact CD1-CE 3.51Å; L447-M480 HydrophobicContact CD1-SD 4.29Å; L447-M480 HydrophobicContact CD2-CE 3.89Å; L447-M480 HydrophobicContact CD2-CG 4.39Å; L447-M480 HydrophobicContact CD2-SD 3.84Å; L447-M480 HydrophobicContact CG-CE 4.18Å; L447-M480 HydrophobicContact CG-SD 4.37Å
448D87.5Confident88.1Confident132 Ų13280.7 Ų80.771%0.70642%0.422SS*.  trans-94.159.4-177.7-166.629.5000111.3V445V445-D448 PolarHBondContact O-N 3.44Å
449Y88.5Confident88.3Confident37 Ų3778.9 Ų78.915%0.14541%0.411CS..SBendtrans-110.4153.8177.368.6-81.6000111.7C432 Y433 L447 R451 F454 L479C432-Y449 HydrophobicContact CB-CD2 4.45Å; C432-Y449 CarbonylContact O-C 3.4Å; C432-Y449 WeakPolarHBondContact O-CA 3.39Å; Y433-Y449 VanDerWaalsContact CE1-CB 3.5Å; Y433-Y449 HydrophobicContact CE1-CG 4.5Å; L447-Y449 VanDerWaalsContact C-N 3.32Å; L447-Y449 PolarHBondContact O-N 3.13Å; Y449-R451 HydrophobicContact CD2-CG 4.39Å; Y449-R451 HydrophobicContact CE2-CB 4.46Å; Y449-R451 HydrophobicContact CE2-CG 3.92Å; Y449-R451 PolarHBondContact O-N 3.37Å; Y449-F454 HydrophobicContact CD2-CB 3.81Å; Y449-F454 HydrophobicContact CD2-CG 4.19Å; Y449-F454 HydrophobicContact CE2-CB 3.65Å; Y449-F454 AromaticContact CE2-CD1 3.86Å; Y449-F454 HydrophobicContact CE2-CD1 3.86Å; Y449-F454 HydrophobicContact CE2-CD2 4.3Å; Y449-F454 AromaticContact CE2-CG 3.66Å; Y449-F454 HydrophobicContact CE2-CG 3.66Å; Y449-L479 HydrophobicContact CD1-CD1 3.91Å; Y449-L479 HydrophobicContact CE1-CD1 3.12Å; Y449-L479 VanDerWaalsContact CZ-CD1 3.49Å; Y449-L479 WeakPolarHBondContact OH-CD1 3.25Å
450N92.3Very high88.8Confident82 Ų8280 Ų8044%0.43942%0.418SS..  trans-6699.6173.2-173-32.4000110.6C432 D452 L453 F454C432-N450 PolarHBondContact O-N 2.93Å; N450-D452 VanDerWaalsContact C-N 3.33Å; N450-D452 PolarHBondContact O-N 3.05Å; N450-D452 PolarHBondContact OD1-N 3.13Å; N450-D452 VanDerWaalsContact OD1-N 3.14Å; N450-L453 HydrophobicContact CB-CB 4.1Å; N450-L453 PolarHBondContact O-N 3.35Å; N450-L453 PolarHBondContact OD1-N 3.37Å; N450-F454 WeakPolarHBondContact O-CB 3.46Å; N450-F454 PolarHBondContact O-N 3.23Å
451R92.1Very high89.3Confident165 Ų16576 Ų7662%0.62339%0.391SS*.Hα-helixtrans-63.8-35.4-177.9-65.1-174.5177.4-155-1.4113.1Y449 F454 Q455Y449-R451 HydrophobicContact CD2-CG 4.39Å; Y449-R451 HydrophobicContact CE2-CB 4.46Å; Y449-R451 HydrophobicContact CE2-CG 3.92Å; Y449-R451 PolarHBondContact O-N 3.37Å; R451-F454 PolarHBondContact O-N 3.27Å; R451-Q455 VanDerWaalsContact O-CG 3.3Å; R451-Q455 WeakPolarHBondContact O-CG 3.26Å; R451-Q455 PolarHBondContact O-N 3.07Å
452D92.4Very high89.8Confident135 Ų13577.5 Ų77.572%0.72240%0.399SS*.Hα-helixtrans-69.2-46-178.6-67.3-29.6000110.7N450 F454 Q455 Q456N450-D452 VanDerWaalsContact C-N 3.33Å; N450-D452 PolarHBondContact O-N 3.05Å; N450-D452 PolarHBondContact OD1-N 3.13Å; N450-D452 VanDerWaalsContact OD1-N 3.14Å; D452-F454 VanDerWaalsContact C-N 3.31Å; D452-F454 PolarHBondContact O-N 2.88Å; D452-Q455 PolarHBondContact O-N 3.08Å; D452-Q456 WeakPolarHBondContact O-CB 3.12Å; D452-Q456 PolarHBondContact O-N 3.24Å
453L92.8Very high90.3Very high42 Ų4271.4 Ų71.422%0.2238%0.376CS..Hα-helixtrans-63.5-39175.2-178.160.2000111.7D431 N450 Q456 T457D431-L453 HydrophobicContact CB-CD2 4.4Å; D431-L453 WeakPolarHBondContact O-CD2 3.03Å; N450-L453 HydrophobicContact CB-CB 4.1Å; N450-L453 PolarHBondContact O-N 3.35Å; N450-L453 PolarHBondContact OD1-N 3.37Å; L453-Q456 PolarHBondContact O-N 2.87Å; L453-T457 WeakPolarHBondContact O-CB 3.45Å; L453-T457 PolarHBondContact O-N 2.88Å; L453-T457 PolarHBondContact O-OG1 3.25Å
454F93.5Very high91.1Very high11 Ų1165.7 Ų65.75%0.04835%0.345CS..Hα-helixtrans-60.7-49.5174.4173.5-101.6000111.7A428 Y449 N450 R451 D452 Q456 T457 R458 T477A428-F454 HydrophobicContact CB-CD2 4.16Å; A428-F454 HydrophobicContact CB-CE2 4.35Å; Y449-F454 HydrophobicContact CD2-CB 3.81Å; Y449-F454 HydrophobicContact CD2-CG 4.19Å; Y449-F454 HydrophobicContact CE2-CB 3.65Å; Y449-F454 AromaticContact CE2-CD1 3.86Å; Y449-F454 HydrophobicContact CE2-CD1 3.86Å; Y449-F454 HydrophobicContact CE2-CD2 4.3Å; Y449-F454 AromaticContact CE2-CG 3.66Å; Y449-F454 HydrophobicContact CE2-CG 3.66Å; N450-F454 WeakPolarHBondContact O-CB 3.46Å; N450-F454 PolarHBondContact O-N 3.23Å; R451-F454 PolarHBondContact O-N 3.27Å; D452-F454 VanDerWaalsContact C-N 3.31Å; D452-F454 PolarHBondContact O-N 2.88Å; F454-Q456 VanDerWaalsContact C-N 3.34Å; F454-Q456 PolarHBondContact O-N 2.94Å; F454-T457 PolarHBondContact O-N 3.45Å; F454-R458 VanDerWaalsContact O-CB 3.3Å; F454-R458 WeakPolarHBondContact O-CB 3.48Å; F454-R458 PolarHBondContact O-N 2.85Å; F454-T477 HydrophobicContact CE2-CG2 3.94Å; F454-T477 HydrophobicContact CZ-CG2 4.07Å
455Q92.8Very high91.7Very high109 Ų10962.2 Ų62.251%0.50932%0.315SS..Hα-helixtrans-63.5-40.2179-69.5-59.8-2400111.9R451 D452 R458 G459R451-Q455 VanDerWaalsContact O-CG 3.3Å; R451-Q455 WeakPolarHBondContact O-CG 3.26Å; R451-Q455 PolarHBondContact O-N 3.07Å; D452-Q455 PolarHBondContact O-N 3.08Å; Q455-R458 PolarHBondContact O-N 3.37Å; Q455-G459 PolarHBondContact O-N 3.24Å
456Q94.1Very high92.2Very high121 Ų12166.7 Ų66.757%0.56533%0.333SS*.Hα-helixtrans-60.1-48.3174.5-174-176.117.400111.3D452 L453 F454 G459 Q460D452-Q456 WeakPolarHBondContact O-CB 3.12Å; D452-Q456 PolarHBondContact O-N 3.24Å; L453-Q456 PolarHBondContact O-N 2.87Å; F454-Q456 VanDerWaalsContact C-N 3.34Å; F454-Q456 PolarHBondContact O-N 2.94Å; Q456-G459 PolarHBondContact O-N 3.19Å; Q456-Q460 WeakPolarHBondContact O-CG 3.39Å; Q456-Q460 PolarHBondContact O-N 2.83Å; Q456-Q460 VanDerWaalsContact O-N 3.1Å
457T93.3Very high92.6Very high3 Ų374.9 Ų74.92%0.01836%0.362CS..Hα-helixtrans-64.6-44.8179.4-59.30000111P429 L453 F454 G459 Q460 L461P429-T457 HydrophobicContact CG-CG2 3.69Å; L453-T457 WeakPolarHBondContact O-CB 3.45Å; L453-T457 PolarHBondContact O-N 2.88Å; L453-T457 PolarHBondContact O-OG1 3.25Å; F454-T457 PolarHBondContact O-N 3.45Å; T457-G459 VanDerWaalsContact C-N 3.31Å; T457-G459 PolarHBondContact O-N 3.01Å; T457-Q460 WeakPolarHBondContact O-CA 3.47Å; T457-Q460 WeakPolarHBondContact O-CB 3.34Å; T457-Q460 PolarHBondContact O-N 3.28Å; T457-L461 HydrophobicContact CG2-CD1 4.32Å; T457-L461 HydrophobicContact CG2-CG 4.35Å; T457-L461 WeakPolarHBondContact O-CG 3.37Å; T457-L461 PolarHBondContact O-N 3.44Å
458R93.8Very high93Very high94 Ų9473.7 Ų73.736%0.35536%0.363SS..Hα-helixtrans-55.7-45.6175.4-177.8177.7178161.82.2111.5F454 Q455 Q460 L461 L462F454-R458 VanDerWaalsContact O-CB 3.3Å; F454-R458 WeakPolarHBondContact O-CB 3.48Å; F454-R458 PolarHBondContact O-N 2.85Å; Q455-R458 PolarHBondContact O-N 3.37Å; R458-Q460 VanDerWaalsContact C-N 3.31Å; R458-Q460 PolarHBondContact O-N 3.45Å; R458-L461 PolarHBondContact O-N 2.98Å; R458-L462 HydrophobicContact CG-CD1 4.22Å; R458-L462 WeakPolarHBondContact O-CG 3.17Å; R458-L462 PolarHBondContact O-N 3.41Å
459G92.9Very high93.1Very high43 Ų4370.4 Ų70.444%0.44336%0.36SS..Hα-helixtrans-59.5-39.617500000112.9Q455 Q456 T457 G463Q455-G459 PolarHBondContact O-N 3.24Å; Q456-G459 PolarHBondContact O-N 3.19Å; T457-G459 VanDerWaalsContact C-N 3.31Å; T457-G459 PolarHBondContact O-N 3.01Å; G459-G463 PolarHBondContact O-N 3.07Å
460Q94.9Very high93.2Very high71 Ų7169.9 Ų69.933%0.33236%0.358SS..Hα-helixtrans-66.3-41.6175.4-67.3171.40.400112.6Q456 T457 R458 G463 I464Q456-Q460 WeakPolarHBondContact O-CG 3.39Å; Q456-Q460 PolarHBondContact O-N 2.83Å; Q456-Q460 VanDerWaalsContact O-N 3.1Å; T457-Q460 WeakPolarHBondContact O-CA 3.47Å; T457-Q460 WeakPolarHBondContact O-CB 3.34Å; T457-Q460 PolarHBondContact O-N 3.28Å; R458-Q460 VanDerWaalsContact C-N 3.31Å; R458-Q460 PolarHBondContact O-N 3.45Å; Q460-G463 PolarHBondContact O-N 3.17Å; Q460-I464 WeakPolarHBondContact O-CG1 3.48Å; Q460-I464 PolarHBondContact O-N 2.78Å
461L94.6Very high92.8Very high7 Ų768.9 Ų68.94%0.03737%0.367CS..Hα-helixtrans-63.7-46.9177.9-65178.6000111.3L407 R408 F411 T457 R458 G463 I464 L465L407-L461 HydrophobicContact CB-CD1 4.33Å; L407-L461 HydrophobicContact CB-CD2 3.97Å; R408-L461 HydrophobicContact CG-CD2 3.95Å; F411-L461 HydrophobicContact CB-CD2 4.36Å; F411-L461 HydrophobicContact CD1-CB 3.92Å; F411-L461 HydrophobicContact CD1-CD2 4.24Å; F411-L461 HydrophobicContact CD2-CD2 3.92Å; F411-L461 HydrophobicContact CE1-CB 3.79Å; F411-L461 HydrophobicContact CE2-CD1 4.22Å; F411-L461 HydrophobicContact CE2-CD2 4.25Å; F411-L461 HydrophobicContact CG-CB 4.46Å; F411-L461 HydrophobicContact CG-CD2 3.91Å; F411-L461 HydrophobicContact CZ-CB 4.21Å; F411-L461 HydrophobicContact CZ-CD1 4.17Å; T457-L461 HydrophobicContact CG2-CD1 4.32Å; T457-L461 HydrophobicContact CG2-CG 4.35Å; T457-L461 WeakPolarHBondContact O-CG 3.37Å; T457-L461 PolarHBondContact O-N 3.44Å; R458-L461 PolarHBondContact O-N 2.98Å; L461-G463 VanDerWaalsContact C-N 3.34Å; L461-G463 PolarHBondContact O-N 3.4Å; L461-I464 WeakPolarHBondContact O-CB 3.35Å; L461-I464 PolarHBondContact O-N 2.99Å; L461-I464 VanDerWaalsContact O-N 3.14Å; L461-L465 PolarHBondContact O-N 3.35Å
462L94.6Very high92.7Very high59 Ų5966.1 Ų66.131%0.30937%0.365SS..Hα-helixtrans-61.6-42.4174.8-67.2175.5000111.5R458 I464 L465 E466 V475R458-L462 HydrophobicContact CG-CD1 4.22Å; R458-L462 WeakPolarHBondContact O-CG 3.17Å; R458-L462 PolarHBondContact O-N 3.41Å; L462-I464 PolarHBondContact O-N 3.21Å; L462-L465 HydrophobicContact CD2-CD1 4.48Å; L462-L465 WeakPolarHBondContact O-CB 3.46Å; L462-L465 PolarHBondContact O-N 3.33Å; L462-E466 WeakPolarHBondContact O-CG 3.48Å; L462-E466 PolarHBondContact O-N 2.88Å; L462-V475 HydrophobicContact CD2-CB 4.08Å; L462-V475 HydrophobicContact CD2-CG2 3.92Å
463G94.4Very high92.7Very high18 Ų1860 Ų6019%0.18633%0.333CS..Hα-helixtrans-64.5-22.3175.400000114.5G459 Q460 L461 R467G459-G463 PolarHBondContact O-N 3.07Å; Q460-G463 PolarHBondContact O-N 3.17Å; L461-G463 VanDerWaalsContact C-N 3.34Å; L461-G463 PolarHBondContact O-N 3.4Å; G463-R467 WeakPolarHBondContact O-CB 3.46Å; G463-R467 VanDerWaalsContact O-CG 3.27Å; G463-R467 WeakPolarHBondContact O-CG 3.38Å; G463-R467 PolarHBondContact O-N 3.05Å; G463-R467 PolarHBondContact O-NE 3.34Å
464I95.4Very high92.7Very high18 Ų1863.7 Ų63.79%0.09235%0.348CS..Hα-helixtrans-71.3-45.5169.8-69.5164000110R408 F411 T415 Q460 L461 L462 A468R408-I464 HydrophobicContact CB-CD1 3.92Å; R408-I464 HydrophobicContact CG-CD1 3.94Å; F411-I464 HydrophobicContact CB-CD1 4.38Å; F411-I464 HydrophobicContact CB-CG2 4.07Å; T415-I464 HydrophobicContact CG2-CG2 4.35Å; Q460-I464 WeakPolarHBondContact O-CG1 3.48Å; Q460-I464 PolarHBondContact O-N 2.78Å; L461-I464 WeakPolarHBondContact O-CB 3.35Å; L461-I464 PolarHBondContact O-N 2.99Å; L461-I464 VanDerWaalsContact O-N 3.14Å; L462-I464 PolarHBondContact O-N 3.21Å; I464-A468 PolarHBondContact O-N 2.84Å
465L93.7Very high92.6Very high7 Ų763.8 Ų63.84%0.03735%0.35CS..Hα-helixtrans-62.9-47.3178.1-68.2172.2000111.7F411 T415 L461 L462 R467 A468 G469 R470 V473 V475F411-L465 HydrophobicContact CD1-CD1 4.09Å; F411-L465 HydrophobicContact CD1-CD2 4.18Å; F411-L465 HydrophobicContact CD1-CG 3.91Å; F411-L465 HydrophobicContact CE1-CD1 3.81Å; F411-L465 HydrophobicContact CE1-CG 4.17Å; T415-L465 HydrophobicContact CG2-CD2 3.47Å; T415-L465 VanDerWaalsContact CG2-CD2 3.47Å; T415-L465 HydrophobicContact CG2-CG 4.49Å; L461-L465 PolarHBondContact O-N 3.35Å; L462-L465 HydrophobicContact CD2-CD1 4.48Å; L462-L465 WeakPolarHBondContact O-CB 3.46Å; L462-L465 PolarHBondContact O-N 3.33Å; L465-R467 PolarHBondContact O-N 2.92Å; L465-A468 CarbonylContact O-C 3.54Å; L465-A468 PolarHBondContact O-N 2.8Å; L465-A468 VanDerWaalsContact O-N 3.12Å; L465-G469 PolarHBondContact O-N 3.12Å; L465-R470 HydrophobicContact CB-CB 4.45Å; L465-R470 HydrophobicContact CD2-CB 4.2Å; L465-R470 WeakPolarHBondContact O-CA 3.48Å; L465-R470 PolarHBondContact O-N 3.26Å; L465-V473 HydrophobicContact CD1-CB 4.25Å; L465-V473 HydrophobicContact CD1-CG1 4.48Å; L465-V473 HydrophobicContact CD2-CB 4.44Å; L465-V475 HydrophobicContact CD1-CG2 3.38Å
466E93.4Very high92.5Very high138 Ų13860 Ų6065%0.64534%0.335SS*.Hα-helixtrans-59-46.5179.4-73.2-179.9172.900112.1L462 A468 G469L462-E466 WeakPolarHBondContact O-CG 3.48Å; L462-E466 PolarHBondContact O-N 2.88Å; E466-A468 PolarHBondContact O-N 3.43Å; E466-G469 PolarHBondContact O-N 3.03Å
467R94.3Very high92.2Very high205 Ų20555.5 Ų55.577%0.77432%0.316SS*.Hα-helixtrans-63.6-27.1177.9-75.9-176.6-66.8176.51.3113.2G463 L465 G469G463-R467 WeakPolarHBondContact O-CB 3.46Å; G463-R467 VanDerWaalsContact O-CG 3.27Å; G463-R467 WeakPolarHBondContact O-CG 3.38Å; G463-R467 PolarHBondContact O-N 3.05Å; G463-R467 PolarHBondContact O-NE 3.34Å; L465-R467 PolarHBondContact O-N 2.92Å; R467-G469 VanDerWaalsContact C-N 3.3Å
468A91.4Very high91.6Very high51 Ų5156.9 Ų56.942%0.42133%0.325SS..THydrogen-bonded Turntrans-861.6174.700000113.4T415 I464 L465 E466 R470T415-A468 HydrophobicContact CG2-CB 3.69Å; I464-A468 PolarHBondContact O-N 2.84Å; L465-A468 CarbonylContact O-C 3.54Å; L465-A468 PolarHBondContact O-N 2.8Å; L465-A468 VanDerWaalsContact O-N 3.12Å; E466-A468 PolarHBondContact O-N 3.43Å; A468-R470 VanDerWaalsContact C-N 3.29Å; A468-R470 HydrophobicContact CB-CG 4.29Å; A468-R470 PolarHBondContact O-N 3.42Å
469G90.1Very high90.6Very high62 Ų6253.9 Ų53.964%0.63932%0.316SS*.THydrogen-bonded Turntrans71.322.8-175.700000113.8L465 E466 R467L465-G469 PolarHBondContact O-N 3.12Å; E466-G469 PolarHBondContact O-N 3.03Å; R467-G469 VanDerWaalsContact C-N 3.3Å
470R90.6Very high89.3Confident26 Ų2659.1 Ų59.110%0.09833%0.33CS..  trans-112.434.5-175.2-65.2-62.9-61.1-76.72112.8T415 F418 L421 L465 A468 D472 V473T415-R470 HydrophobicContact CG2-CB 4.46Å; T415-R470 HydrophobicContact CG2-CG 4.49Å; F418-R470 PolarHBondContact O-NH1 3.42Å; F418-R470 PolarHBondContact O-NH2 3.1Å; F418-R470 VanDerWaalsContact O-NH2 3.11Å; L421-R470 PolarHBondContact O-NH2 3.16Å; L465-R470 HydrophobicContact CB-CB 4.45Å; L465-R470 HydrophobicContact CD2-CB 4.2Å; L465-R470 WeakPolarHBondContact O-CA 3.48Å; L465-R470 PolarHBondContact O-N 3.26Å; A468-R470 VanDerWaalsContact C-N 3.29Å; A468-R470 HydrophobicContact CB-CG 4.29Å; A468-R470 PolarHBondContact O-N 3.42Å; R470-D472 VanDerWaalsContact C-OD1 3.27Å; R470-D472 VanDerWaalsContact CA-OD1 3.29Å; R470-D472 WeakPolarHBondContact CA-OD1 3.21Å; R470-D472 IonicContact NE-OD1 3.02Å; R470-D472 PolarHBondContact O-N 3.36Å; R470-V473 HydrophobicContact CB-CG2 4.21Å; R470-V473 PolarHBondContact O-N 2.91Å
471G85.1Confident87.9Confident62 Ų6257.9 Ų57.964%0.63934%0.337SS*.THydrogen-bonded Turntrans-68.1-5175.600000114V473G471-V473 VanDerWaalsContact C-N 3.31Å
472D88.3Confident86.7Confident106 Ų10660.1 Ų60.157%0.56736%0.357SS*.THydrogen-bonded Turntrans-78.3-13.1172.564.9-50.5000113.5R470R470-D472 VanDerWaalsContact C-OD1 3.27Å; R470-D472 VanDerWaalsContact CA-OD1 3.29Å; R470-D472 WeakPolarHBondContact CA-OD1 3.21Å; R470-D472 IonicContact NE-OD1 3.02Å; R470-D472 PolarHBondContact O-N 3.36Å
473V93.1Very high85.8Confident8 Ų861 Ų615%0.04836%0.356CS..SBendtrans-80119.7177.9-176.20000110.2L421 R422 I424 L465 R470 G471L421-V473 HydrophobicContact CD2-CG1 4.32Å; L421-V473 HydrophobicContact CG-CG1 4.42Å; L421-V473 WeakPolarHBondContact O-CG2 3.29Å; R422-V473 CarbonylContact O-C 3.58Å; R422-V473 WeakPolarHBondContact O-CA 3.49Å; I424-V473 HydrophobicContact CG2-CG1 4.16Å; L465-V473 HydrophobicContact CD1-CB 4.25Å; L465-V473 HydrophobicContact CD1-CG1 4.48Å; L465-V473 HydrophobicContact CD2-CB 4.44Å; R470-V473 HydrophobicContact CB-CG2 4.21Å; R470-V473 PolarHBondContact O-N 2.91Å; G471-V473 VanDerWaalsContact C-N 3.31Å
474E92Very high85.3Confident118 Ų11862.7 Ų62.755%0.55136%0.361SS*.EExtended strand (participates in β ladder)trans-77.8127.5174.2-177.2172.1-168.200110.6R422 Y423 I424R422-E474 PolarHBondContact O-N 3.42Å; Y423-E474 CarbonylContact C-O 3.56Å; Y423-E474 WeakPolarHBondContact CA-O 3.37Å; Y423-E474 HydrophobicContact CD2-CB 3.94Å; Y423-E474 HydrophobicContact CD2-CG 3.94Å; Y423-E474 HydrophobicContact CE2-CG 4.07Å; I424-E474 PolarHBondContact N-O 3.49Å
475V92.2Very high84.7Confident14 Ų1463.1 Ų63.19%0.08537%0.365CS..EExtended strand (participates in β ladder)trans-117.4118.9-179.2-176.50000109.5F411 I424 V426 L462 L465F411-V475 HydrophobicContact CE1-CG1 4.24Å; F411-V475 HydrophobicContact CE1-CG2 3.9Å; F411-V475 HydrophobicContact CZ-CG1 3.91Å; F411-V475 HydrophobicContact CZ-CG2 4.25Å; I424-V475 HydrophobicContact CG2-CB 4.21Å; I424-V475 HydrophobicContact CG2-CG1 4.19Å; I424-V475 HydrophobicContact CG2-CG2 3.75Å; I424-V475 WeakPolarHBondContact O-CA 3.3Å; V426-V475 HydrophobicContact CG2-CG1 4.11Å; L462-V475 HydrophobicContact CD2-CB 4.08Å; L462-V475 HydrophobicContact CD2-CG2 3.92Å; L465-V475 HydrophobicContact CD1-CG2 3.38Å
476C89.8Confident84.3Confident28 Ų2863 Ų6319%0.18937%0.365CS..EExtended strand (participates in β ladder)trans-123.4150.2-175.8-69.70000111.9Y423 I424 E425 V426Y423-C476 HydrophobicContact CE2-CB 4.38Å; I424-C476 PolarHBondContact O-N 2.92Å; E425-C476 WeakPolarHBondContact CA-O 3.44Å; E425-C476 HydrophobicContact CG-CB 4.05Å; V426-C476 PolarHBondContact N-O 2.86Å
477T87.7Confident83.7Confident28 Ų2860.1 Ų60.117%0.17235%0.353CS..  trans-137.972.8169.8-56.40000107.8V426 F454 L479V426-T477 WeakPolarHBondContact O-CB 3.42Å; V426-T477 WeakPolarHBondContact O-CG2 3.37Å; V426-T477 PolarHBondContact O-OG1 3.45Å; F454-T477 HydrophobicContact CE2-CG2 3.94Å; F454-T477 HydrophobicContact CZ-CG2 4.07Å; T477-L479 VanDerWaalsContact C-N 3.31Å; T477-L479 HydrophobicContact CG2-CD2 3.79Å; T477-L479 HydrophobicContact CG2-CG 4.11Å; T477-L479 PolarHBondContact O-N 3.29Å
478P81.4Confident83.2Confident32 Ų3254.3 Ų54.321%0.20834%0.337CS..  trans-7884.9-179.133.4-33.8000109.2L398 E425 M480 G481L398-P478 HydrophobicContact CD1-CG 3.69Å; E425-P478 HydrophobicContact CG-CG 4.36Å; P478-M480 PolarHBondContact O-N 3.36Å; P478-G481 PolarHBondContact O-N 2.76Å
479L72.9Confident82.6Confident31 Ų3154 Ų5416%0.16233%0.327CS..THydrogen-bonded Turntrans-58.1-22-177.1-65.5172.8000113.9A428 L446 Y449 T477A428-L479 HydrophobicContact CB-CD2 3.99Å; L446-L479 HydrophobicContact CD1-CD2 4.25Å; L446-L479 WeakPolarHBondContact CD2-O 3.4Å; Y449-L479 HydrophobicContact CD1-CD1 3.91Å; Y449-L479 HydrophobicContact CE1-CD1 3.12Å; Y449-L479 VanDerWaalsContact CZ-CD1 3.49Å; Y449-L479 WeakPolarHBondContact OH-CD1 3.25Å; T477-L479 VanDerWaalsContact C-N 3.31Å; T477-L479 HydrophobicContact CG2-CD2 3.79Å; T477-L479 HydrophobicContact CG2-CG 4.11Å; T477-L479 PolarHBondContact O-N 3.29Å
480M64.4Low82Confident152 Ų15251.2 Ų51.275%0.74930%0.298SS*.THydrogen-bonded Turntrans-10319.5178.4-63.1-64.5-130.600112.5L447 P478L447-M480 HydrophobicContact CD1-CE 3.51Å; L447-M480 HydrophobicContact CD1-SD 4.29Å; L447-M480 HydrophobicContact CD2-CE 3.89Å; L447-M480 HydrophobicContact CD2-CG 4.39Å; L447-M480 HydrophobicContact CD2-SD 3.84Å; L447-M480 HydrophobicContact CG-CE 4.18Å; L447-M480 HydrophobicContact CG-SD 4.37Å; P478-M480 PolarHBondContact O-N 3.36Å
481G66.6Low81.1Confident45 Ų4552.6 Ų52.646%0.46431%0.311SS..  trans81.6159.2-171.300000112.8P478P478-G481 PolarHBondContact O-N 2.76Å
482A68.4Low80.1Confident55 Ų5555.7 Ų55.746%0.45531%0.313SS..  trans-64.8148.7174.300000110.7D484A482-D484 PolarHBondContact O-N 2.83Å
483Y77.3Confident78.7Confident77 Ų7751.3 Ų51.330%0.30229%0.289SS..  trans-60.9119175175.5-96.7000110.9E118 P485 N488E118-Y483 VanDerWaalsContact CA-CZ 3.49Å; E118-Y483 HydrophobicContact CB-CD1 3.6Å; E118-Y483 HydrophobicContact CB-CD2 3.78Å; E118-Y483 HydrophobicContact CB-CE1 3.76Å; E118-Y483 HydrophobicContact CB-CE2 3.95Å; E118-Y483 HydrophobicContact CB-CG 3.6Å; E118-Y483 HydrophobicContact CG-CD1 4.36Å; E118-Y483 HydrophobicContact CG-CD2 3.58Å; E118-Y483 HydrophobicContact CG-CE2 3.78Å; E118-Y483 HydrophobicContact CG-CG 3.89Å; Y483-P485 VanDerWaalsContact CE1-CA 3.48Å; Y483-P485 HydrophobicContact CE1-CB 3.69Å; Y483-P485 HydrophobicContact CE1-CG 4.37Å; Y483-N488 HydrophobicContact CE2-CB 3.76Å; Y483-N488 PolarHBondContact OH-ND2 2.93Å
484D82.1Confident77.1Confident53 Ų5351.9 Ų51.928%0.28329%0.292SS..  trans-102.5112.5168.4-178.8-30000109.2R198 A482 D486 I487 N488R198-D484 IonicContact NH2-OD2 3.51Å; A482-D484 PolarHBondContact O-N 2.83Å; D484-D486 VanDerWaalsContact C-N 3.3Å; D484-D486 PolarHBondContact O-N 2.75Å; D484-D486 WeakPolarHBondContact OD1-CA 3.46Å; D484-D486 WeakPolarHBondContact OD1-CB 3.47Å; D484-D486 PolarHBondContact OD1-N 2.94Å; D484-I487 HydrophobicContact CB-CB 3.92Å; D484-I487 HydrophobicContact CB-CD1 3.89Å; D484-I487 HydrophobicContact CB-CG1 4.02Å; D484-I487 PolarHBondContact O-N 3.09Å; D484-I487 PolarHBondContact OD1-N 2.77Å; D484-I487 WeakPolarHBondContact OD2-CD1 3.48Å; D484-I487 WeakPolarHBondContact OD2-CG1 3.36Å; D484-N488 WeakPolarHBondContact O-CB 3.28Å; D484-N488 PolarHBondContact O-N 3.26Å
485P83.3Confident75.6Confident28 Ų2848 Ų4818%0.18228%0.283CS..Hα-helixtrans-62.5-36-17922.3-31.2000113.4D116 Y483 E489D116-P485 HydrophobicContact CB-CB 3.41Å; D116-P485 VanDerWaalsContact CB-CB 3.41Å; D116-P485 HydrophobicContact CB-CG 3.88Å; Y483-P485 VanDerWaalsContact CE1-CA 3.48Å; Y483-P485 HydrophobicContact CE1-CB 3.69Å; Y483-P485 HydrophobicContact CE1-CG 4.37Å; P485-E489 WeakPolarHBondContact O-CB 3.06Å; P485-E489 PolarHBondContact O-N 3.19Å; P485-E489 VanDerWaalsContact O-N 3.08Å
486D85.6Confident74.1Confident4 Ų451.4 Ų51.42%0.02130%0.3CS..Hα-helixtrans-73.1-40.8-176.2-67.1-36.7000109.8R130 F169 R198 D484 E489 T490R130-D486 IonicContact CZ-OD1 3.44Å; R130-D486 IonicContact CZ-OD2 3.67Å; R130-D486 IonicContact NE-OD1 3.71Å; R130-D486 PolarHBondContact NE-OD1 3.22Å; R130-D486 IonicContact NE-OD2 2.72Å; R130-D486 IonicContact NH1-OD2 2.73Å; R130-D486 IonicContact NH2-OD1 3.25Å; R130-D486 IonicContact NH2-OD2 3.67Å; R130-D486 PolarHBondContact NH2-OD2 2.94Å; F169-D486 HydrophobicContact CD1-CB 4.23Å; F169-D486 HydrophobicContact CE1-CB 3.69Å; F169-D486 HydrophobicContact CZ-CB 4.37Å; R198-D486 IonicContact CZ-OD2 2.85Å; R198-D486 IonicContact NE-OD2 3.2Å; R198-D486 VanDerWaalsContact NH1-CG 3.34Å; R198-D486 IonicContact NH1-OD2 3.94Å; R198-D486 PolarHBondContact NH1-OD2 3.19Å; D484-D486 VanDerWaalsContact C-N 3.3Å; D484-D486 PolarHBondContact O-N 2.75Å; D484-D486 WeakPolarHBondContact OD1-CA 3.46Å; D484-D486 WeakPolarHBondContact OD1-CB 3.47Å; D484-D486 PolarHBondContact OD1-N 2.94Å; D486-E489 PolarHBondContact O-N 3.09Å; D486-T490 PolarHBondContact O-N 3.18Å; D486-T490 PolarHBondContact O-OG1 3.14Å; D486-T490 VanDerWaalsContact O-OG1 3.11Å
487I82Confident72.6Confident78 Ų7851 Ų5140%0.430%0.297SS..Hα-helixtrans-62.9-45172.6-73.2179.1000111.1D484 E489 T490 S491 L494D484-I487 HydrophobicContact CB-CB 3.92Å; D484-I487 HydrophobicContact CB-CD1 3.89Å; D484-I487 HydrophobicContact CB-CG1 4.02Å; D484-I487 PolarHBondContact O-N 3.09Å; D484-I487 PolarHBondContact OD1-N 2.77Å; D484-I487 WeakPolarHBondContact OD2-CD1 3.48Å; D484-I487 WeakPolarHBondContact OD2-CG1 3.36Å; I487-E489 VanDerWaalsContact C-N 3.29Å; I487-E489 PolarHBondContact O-N 2.63Å; I487-T490 CarbonylContact O-C 3.55Å; I487-T490 PolarHBondContact O-N 2.98Å; I487-S491 WeakPolarHBondContact O-CA 3.18Å; I487-S491 PolarHBondContact O-N 3.39Å; I487-L494 HydrophobicContact CB-CD1 3.97Å; I487-L494 HydrophobicContact CG1-CD1 4.05Å; I487-L494 HydrophobicContact CG2-CD1 3.55Å
488N81.9Confident71.4Confident82 Ų8255.5 Ų55.544%0.43932%0.318SS..Hα-helixtrans-61.8-40.5-179.1-179.765.2000111.4Y483 D484 T490 S491Y483-N488 HydrophobicContact CE2-CB 3.76Å; Y483-N488 PolarHBondContact OH-ND2 2.93Å; D484-N488 WeakPolarHBondContact O-CB 3.28Å; D484-N488 PolarHBondContact O-N 3.26Å; N488-T490 VanDerWaalsContact C-N 3.35Å; N488-T490 PolarHBondContact O-N 3.38Å; N488-S491 PolarHBondContact O-OG 3.14Å
489E79.9Confident70.5Confident46 Ų4658.8 Ų58.822%0.21533%0.334CS..Hα-helixtrans-66.5-33.9178.7-165.9169.3-152.600112.8G129 R130 W131 A132 P485 D486 I487G129-E489 VanDerWaalsContact C-OE1 3.3Å; G129-E489 VanDerWaalsContact CA-CD 3.47Å; G129-E489 WeakPolarHBondContact CA-OE1 3.25Å; G129-E489 VanDerWaalsContact CA-OE2 3.3Å; G129-E489 WeakPolarHBondContact CA-OE2 3.49Å; G129-E489 PolarHBondContact N-OE1 3.22Å; G129-E489 VanDerWaalsContact N-OE1 3.11Å; R130-E489 PolarHBondContact N-OE2 3.08Å; R130-E489 VanDerWaalsContact N-OE2 3.07Å; W131-E489 VanDerWaalsContact CB-CD 3.49Å; W131-E489 HydrophobicContact CB-CG 3.99Å; W131-E489 VanDerWaalsContact CB-OE2 3.22Å; W131-E489 WeakPolarHBondContact CB-OE2 3.45Å; W131-E489 HydrophobicContact CE3-CG 4.37Å; W131-E489 PolarHBondContact N-OE2 3.09Å; A132-E489 WeakPolarHBondContact CB-OE1 3.38Å; A132-E489 PolarHBondContact N-OE1 2.78Å; P485-E489 WeakPolarHBondContact O-CB 3.06Å; P485-E489 PolarHBondContact O-N 3.19Å; P485-E489 VanDerWaalsContact O-N 3.08Å; D486-E489 PolarHBondContact O-N 3.09Å; I487-E489 VanDerWaalsContact C-N 3.29Å; I487-E489 PolarHBondContact O-N 2.63Å
490T78.3Confident70Confident3 Ų364.8 Ų64.82%0.01836%0.358CS..Hα-helixtrans-107.213.5-179.465.40000114.2W131 F169 T171 D486 I487 N488 N492 E493 L494W131-T490 HydrophobicContact CB-CG2 4.42Å; W131-T490 HydrophobicContact CG-CG2 4.12Å; F169-T490 HydrophobicContact CE1-CG2 3.62Å; F169-T490 HydrophobicContact CZ-CG2 3.54Å; T171-T490 HydrophobicContact CG2-CG2 3.99Å; D486-T490 PolarHBondContact O-N 3.18Å; D486-T490 PolarHBondContact O-OG1 3.14Å; D486-T490 VanDerWaalsContact O-OG1 3.11Å; I487-T490 CarbonylContact O-C 3.55Å; I487-T490 PolarHBondContact O-N 2.98Å; N488-T490 VanDerWaalsContact C-N 3.35Å; N488-T490 PolarHBondContact O-N 3.38Å; T490-N492 PolarHBondContact O-N 3.36Å; T490-E493 WeakPolarHBondContact O-CA 3.4Å; T490-E493 WeakPolarHBondContact O-CB 3.18Å; T490-E493 PolarHBondContact O-N 3.26Å; T490-L494 PolarHBondContact O-N 3.32Å
491S71.4Confident69.8Low55 Ų5560.6 Ų60.639%0.38534%0.344SS..Hα-helixtrans-48.4-38.8-176.351.30000114.5I487 N488 E493 L494 G495I487-S491 WeakPolarHBondContact O-CA 3.18Å; I487-S491 PolarHBondContact O-N 3.39Å; N488-S491 PolarHBondContact O-OG 3.14Å; S491-E493 VanDerWaalsContact C-N 3.35Å; S491-E493 PolarHBondContact O-N 3.01Å; S491-L494 PolarHBondContact O-N 2.85Å; S491-G495 PolarHBondContact O-N 2.81Å
492N63.2Low69.9Low126 Ų12664.5 Ų64.567%0.67435%0.348SS*.Hα-helixtrans-66.9-30.7175.1-69.6-35.1000113.8T490 L496T490-N492 PolarHBondContact O-N 3.36Å; N492-L496 WeakPolarHBondContact O-CG 3.1Å
493E59.4Low69.7Low14 Ų1466.9 Ų66.97%0.06535%0.353CS..Hα-helixtrans-76.1-40.5173.6-66.5-176.2-179.500111.3T171 R173 T490 S491 L496 S497T171-E493 WeakPolarHBondContact CB-OE2 3.35Å; T171-E493 VanDerWaalsContact CG2-OE2 3.24Å; T171-E493 WeakPolarHBondContact CG2-OE2 3.3Å; T171-E493 PolarHBondContact OG1-OE1 3.02Å; T171-E493 PolarHBondContact OG1-OE2 3.48Å; R173-E493 WeakPolarHBondContact CB-OE1 3.23Å; R173-E493 WeakPolarHBondContact CD-OE1 3.32Å; R173-E493 HydrophobicContact CG-CG 4.48Å; R173-E493 WeakPolarHBondContact CG-OE1 3.47Å; R173-E493 IonicContact CZ-OE1 3.75Å; R173-E493 IonicContact NE-OE1 3.78Å; R173-E493 PolarHBondContact NE-OE1 3.43Å; R173-E493 IonicContact NH1-OE1 2.87Å; T490-E493 WeakPolarHBondContact O-CA 3.4Å; T490-E493 WeakPolarHBondContact O-CB 3.18Å; T490-E493 PolarHBondContact O-N 3.26Å; S491-E493 VanDerWaalsContact C-N 3.35Å; S491-E493 PolarHBondContact O-N 3.01Å; E493-L496 PolarHBondContact O-N 3.46Å; E493-S497 WeakPolarHBondContact O-CB 3.44Å; E493-S497 PolarHBondContact O-N 2.86Å
494L59.6Low69.1Low21 Ų2166.4 Ų66.411%0.1136%0.361CS..Hα-helixtrans-58.5-48.4175.6-71.8169.8000111.5N227 I487 T490 S491 L496 S497 M498N227-L494 WeakPolarHBondContact ND2-CD2 3.5Å; I487-L494 HydrophobicContact CB-CD1 3.97Å; I487-L494 HydrophobicContact CG1-CD1 4.05Å; I487-L494 HydrophobicContact CG2-CD1 3.55Å; T490-L494 PolarHBondContact O-N 3.32Å; S491-L494 PolarHBondContact O-N 2.85Å; L494-L496 VanDerWaalsContact C-N 3.29Å; L494-L496 PolarHBondContact O-N 3.2Å; L494-S497 PolarHBondContact O-N 2.88Å; L494-M498 WeakPolarHBondContact O-CB 3.47Å; L494-M498 VanDerWaalsContact O-CG 3.31Å; L494-M498 WeakPolarHBondContact O-CG 3.38Å; L494-M498 PolarHBondContact O-N 3.24Å
495G59.8Low68.5Low35 Ų3568.5 Ų68.536%0.36138%0.376SS..Hα-helixtrans-57.8-41.1176.300000112.8S491 L499S491-G495 PolarHBondContact O-N 2.81Å; G495-L499 WeakPolarHBondContact O-CB 3.14Å; G495-L499 VanDerWaalsContact O-CG 3.22Å; G495-L499 WeakPolarHBondContact O-CG 3.31Å; G495-L499 PolarHBondContact O-N 3.38Å
496L60.8Low67.9Low87 Ų8770.1 Ų70.146%0.45538%0.382SS..Hα-helixtrans-71.4-38177.2-71.8170.3000113.1R173 N492 E493 L494 K500R173-L496 VanDerWaalsContact NH2-CD1 3.35Å; N492-L496 WeakPolarHBondContact O-CG 3.1Å; E493-L496 PolarHBondContact O-N 3.46Å; L494-L496 VanDerWaalsContact C-N 3.29Å; L494-L496 PolarHBondContact O-N 3.2Å; L496-K500 WeakPolarHBondContact O-CG 3.42Å; L496-K500 PolarHBondContact O-N 2.87Å
497S58.3Low66.9Low18 Ų1871.8 Ų71.813%0.12640%0.4CS..Hα-helixtrans-64.4-47.8175.3-176.90000110.5N227 E493 L494 L499 K500 S501N227-S497 PolarHBondContact OD1-OG 3.24Å; E493-S497 WeakPolarHBondContact O-CB 3.44Å; E493-S497 PolarHBondContact O-N 2.86Å; L494-S497 PolarHBondContact O-N 2.88Å; S497-L499 PolarHBondContact O-N 3.18Å; S497-K500 WeakPolarHBondContact O-CB 3.4Å; S497-K500 PolarHBondContact O-N 2.85Å; S497-K500 VanDerWaalsContact O-N 3.12Å; S497-S501 PolarHBondContact O-N 2.81Å; S497-S501 PolarHBondContact O-OG 2.95Å
498M61.7Low66.3Low124 Ų12473.1 Ų73.161%0.61141%0.408SS*.Hα-helixtrans-58.1-45.5175.4-73.7-178.717400111.7L494 K500 S501 F502L494-M498 WeakPolarHBondContact O-CB 3.47Å; L494-M498 VanDerWaalsContact O-CG 3.31Å; L494-M498 WeakPolarHBondContact O-CG 3.38Å; L494-M498 PolarHBondContact O-N 3.24Å; M498-K500 VanDerWaalsContact C-N 3.33Å; M498-K500 PolarHBondContact O-N 3.33Å; M498-S501 PolarHBondContact O-N 3.32Å; M498-F502 WeakPolarHBondContact O-CB 3.23Å; M498-F502 PolarHBondContact O-N 2.91Å
499L63.5Low65.8Low101 Ų10175.6 Ų75.653%0.52942%0.415SS..Hα-helixtrans-61.5-39.8175.5-75.1169.7000112.4G495 S497 N503G495-L499 WeakPolarHBondContact O-CB 3.14Å; G495-L499 VanDerWaalsContact O-CG 3.22Å; G495-L499 WeakPolarHBondContact O-CG 3.31Å; G495-L499 PolarHBondContact O-N 3.38Å; S497-L499 PolarHBondContact O-N 3.18Å; L499-N503 VanDerWaalsContact O-CB 3.3Å; L499-N503 WeakPolarHBondContact O-CB 3.34Å; L499-N503 PolarHBondContact O-N 2.88Å; L499-N503 PolarHBondContact O-ND2 3.1Å; L499-N503 VanDerWaalsContact O-ND2 3.1Å
500K62.8Low65.4Low157 Ų15777.9 Ų77.968%0.68343%0.428SS*.Hα-helixtrans-66.5-46.2175.8-76.9178.2-178.8-179.90111.9L496 S497 M498 F502 N503 S504L496-K500 WeakPolarHBondContact O-CG 3.42Å; L496-K500 PolarHBondContact O-N 2.87Å; S497-K500 WeakPolarHBondContact O-CB 3.4Å; S497-K500 PolarHBondContact O-N 2.85Å; S497-K500 VanDerWaalsContact O-N 3.12Å; M498-K500 VanDerWaalsContact C-N 3.33Å; M498-K500 PolarHBondContact O-N 3.33Å; K500-F502 VanDerWaalsContact C-N 3.34Å; K500-N503 PolarHBondContact O-N 3.19Å; K500-S504 WeakPolarHBondContact O-CB 3.3Å; K500-S504 PolarHBondContact O-N 3.47Å
501S60.3Low64.8Low63 Ų6379.3 Ų79.344%0.44144%0.443SS..Hα-helixtrans-60.9-44.8176.5-65.50000111S497 M498 S504 V505S497-S501 PolarHBondContact O-N 2.81Å; S497-S501 PolarHBondContact O-OG 2.95Å; M498-S501 PolarHBondContact O-N 3.32Å; S501-S504 WeakPolarHBondContact O-CB 3.5Å; S501-S504 PolarHBondContact O-N 2.83Å; S501-V505 WeakPolarHBondContact O-CG2 3.41Å; S501-V505 PolarHBondContact O-N 3.22Å
502F68.6Low64.8Low128 Ų12880.8 Ų80.856%0.56145%0.45SS*.Hα-helixtrans-60.5-46.8175.2-173-107.2000111.9M498 K500 S504 V505 I506M498-F502 WeakPolarHBondContact O-CB 3.23Å; M498-F502 PolarHBondContact O-N 2.91Å; K500-F502 VanDerWaalsContact C-N 3.34Å; F502-S504 VanDerWaalsContact C-N 3.29Å; F502-S504 PolarHBondContact O-N 3.24Å; F502-V505 PolarHBondContact O-N 3.32Å; F502-I506 HydrophobicContact CD1-CD1 3.66Å; F502-I506 HydrophobicContact CD1-CG1 4.46Å; F502-I506 HydrophobicContact CE1-CD1 3.18Å; F502-I506 HydrophobicContact CE1-CG1 4.24Å; F502-I506 HydrophobicContact CE2-CD1 4.26Å; F502-I506 HydrophobicContact CG-CD1 4.39Å; F502-I506 HydrophobicContact CZ-CD1 3.53Å; F502-I506 HydrophobicContact CZ-CG1 4.33Å; F502-I506 WeakPolarHBondContact O-CB 3.45Å; F502-I506 WeakPolarHBondContact O-CG1 3.45Å; F502-I506 PolarHBondContact O-N 3.24Å
503N64.3Low65.3Low105 Ų10578.3 Ų78.356%0.56144%0.436SS*.Hα-helixtrans-61.5-37.1174.6-77.3-31.1000112.4L499 K500 G507L499-N503 VanDerWaalsContact O-CB 3.3Å; L499-N503 WeakPolarHBondContact O-CB 3.34Å; L499-N503 PolarHBondContact O-N 2.88Å; L499-N503 PolarHBondContact O-ND2 3.1Å; L499-N503 VanDerWaalsContact O-ND2 3.1Å; K500-N503 PolarHBondContact O-N 3.19Å; N503-G507 PolarHBondContact O-N 2.83Å
504S64.7Low65.9Low67 Ų6781.2 Ų81.247%0.46946%0.455SS..Hα-helixtrans-67.7-41.8175.8-171.10000111.8K500 S501 F502 G507 N508K500-S504 WeakPolarHBondContact O-CB 3.3Å; K500-S504 PolarHBondContact O-N 3.47Å; S501-S504 WeakPolarHBondContact O-CB 3.5Å; S501-S504 PolarHBondContact O-N 2.83Å; F502-S504 VanDerWaalsContact C-N 3.29Å; F502-S504 PolarHBondContact O-N 3.24Å; S504-G507 PolarHBondContact O-N 2.84Å; S504-N508 WeakPolarHBondContact O-CB 3.27Å; S504-N508 PolarHBondContact O-N 2.89Å; S504-N508 PolarHBondContact O-ND2 2.84Å
505V68.8Low66.4Low96 Ų9683.9 Ų83.958%0.58247%0.469SS*.Hα-helixtrans-64.7-45.9176.6171.10000110.4S501 F502 G507 N508 F509S501-V505 WeakPolarHBondContact O-CG2 3.41Å; S501-V505 PolarHBondContact O-N 3.22Å; F502-V505 PolarHBondContact O-N 3.32Å; V505-G507 VanDerWaalsContact C-N 3.34Å; V505-G507 PolarHBondContact O-N 3.34Å; V505-N508 PolarHBondContact O-N 3.49Å; V505-F509 VanDerWaalsContact O-CB 3.32Å; V505-F509 WeakPolarHBondContact O-CB 3.5Å; V505-F509 PolarHBondContact O-N 3.37Å
506I70.3Confident67Low63 Ų6385.3 Ų85.332%0.32347%0.471SS..Hα-helixtrans-60.3-45.8174.1-72.7-179.8000110.6F502 N508 F509 I510F502-I506 HydrophobicContact CD1-CD1 3.66Å; F502-I506 HydrophobicContact CD1-CG1 4.46Å; F502-I506 HydrophobicContact CE1-CD1 3.18Å; F502-I506 HydrophobicContact CE1-CG1 4.24Å; F502-I506 HydrophobicContact CE2-CD1 4.26Å; F502-I506 HydrophobicContact CG-CD1 4.39Å; F502-I506 HydrophobicContact CZ-CD1 3.53Å; F502-I506 HydrophobicContact CZ-CG1 4.33Å; F502-I506 WeakPolarHBondContact O-CB 3.45Å; F502-I506 WeakPolarHBondContact O-CG1 3.45Å; F502-I506 PolarHBondContact O-N 3.24Å; I506-N508 VanDerWaalsContact C-N 3.34Å; I506-N508 PolarHBondContact O-N 3.44Å; I506-F509 PolarHBondContact O-N 2.94Å; I506-I510 HydrophobicContact CG2-CD1 3.57Å; I506-I510 HydrophobicContact CG2-CG1 4.19Å; I506-I510 WeakPolarHBondContact O-CB 3.32Å; I506-I510 VanDerWaalsContact O-CG1 3.27Å; I506-I510 WeakPolarHBondContact O-CG1 3.47Å; I506-I510 PolarHBondContact O-N 2.84Å
507G65.3Low67.4Low39 Ų3985 Ų8540%0.40247%0.47SS..Hα-helixtrans-58.6-45.617800000112.1N503 S504 V505 G511N503-G507 PolarHBondContact O-N 2.83Å; S504-G507 PolarHBondContact O-N 2.84Å; V505-G507 VanDerWaalsContact C-N 3.34Å; V505-G507 PolarHBondContact O-N 3.34Å; G507-G511 PolarHBondContact O-N 2.88Å
508N69.3Low68Low106 Ų10687.3 Ų87.357%0.56748%0.483SS*.Hα-helixtrans-64.6-43.3175.9-71.5-13.7000111.5S504 V505 I506 G511 T512S504-N508 WeakPolarHBondContact O-CB 3.27Å; S504-N508 PolarHBondContact O-N 2.89Å; S504-N508 PolarHBondContact O-ND2 2.84Å; V505-N508 PolarHBondContact O-N 3.49Å; I506-N508 VanDerWaalsContact C-N 3.34Å; I506-N508 PolarHBondContact O-N 3.44Å; N508-G511 PolarHBondContact O-N 3.17Å; N508-T512 PolarHBondContact O-N 2.63Å; N508-T512 PolarHBondContact O-OG1 3.38Å
509F71.6Confident68.3Low134 Ų13489.1 Ų89.159%0.58848%0.483SS*.Hα-helixtrans-62-47.6177.8-179.1-109.2000112V505 I506 G511 T512 I513V505-F509 VanDerWaalsContact O-CB 3.32Å; V505-F509 WeakPolarHBondContact O-CB 3.5Å; V505-F509 PolarHBondContact O-N 3.37Å; I506-F509 PolarHBondContact O-N 2.94Å; F509-G511 VanDerWaalsContact C-N 3.33Å; F509-G511 PolarHBondContact O-N 3.19Å; F509-T512 PolarHBondContact O-N 3.46Å; F509-I513 HydrophobicContact CD1-CD1 3.81Å; F509-I513 HydrophobicContact CE1-CD1 3.32Å; F509-I513 HydrophobicContact CE1-CG1 4.4Å; F509-I513 HydrophobicContact CE2-CD1 4.22Å; F509-I513 HydrophobicContact CG-CD1 4.46Å; F509-I513 HydrophobicContact CZ-CD1 3.56Å; F509-I513 HydrophobicContact CZ-CG1 4.35Å; F509-I513 WeakPolarHBondContact O-CG1 3.45Å; F509-I513 PolarHBondContact O-N 3.24Å
510I70.8Confident68.5Low94 Ų9492 Ų9248%0.48249%0.487SS..Hα-helixtrans-59.2-46.5174.1-67.9170.8000110I506 T512 I513 T514I506-I510 HydrophobicContact CG2-CD1 3.57Å; I506-I510 HydrophobicContact CG2-CG1 4.19Å; I506-I510 WeakPolarHBondContact O-CB 3.32Å; I506-I510 VanDerWaalsContact O-CG1 3.27Å; I506-I510 WeakPolarHBondContact O-CG1 3.47Å; I506-I510 PolarHBondContact O-N 2.84Å; I510-T512 VanDerWaalsContact C-N 3.28Å; I510-T512 PolarHBondContact O-N 3.36Å; I510-I513 PolarHBondContact O-N 3.35Å; I510-T514 HydrophobicContact CG2-CG2 4.4Å; I510-T514 PolarHBondContact O-N 2.78Å; I510-T514 PolarHBondContact O-OG1 3.29Å; I510-T514 VanDerWaalsContact O-OG1 3.05Å
511G66.4Low68.8Low32 Ų3287.5 Ų87.533%0.3348%0.475SS..Hα-helixtrans-55.2-44.4175.900000112.2G507 N508 F509 T514 D515G507-G511 PolarHBondContact O-N 2.88Å; N508-G511 PolarHBondContact O-N 3.17Å; F509-G511 VanDerWaalsContact C-N 3.33Å; F509-G511 PolarHBondContact O-N 3.19Å; G511-T514 VanDerWaalsContact CA-OG1 3.32Å; G511-T514 WeakPolarHBondContact CA-OG1 3.35Å; G511-T514 PolarHBondContact O-N 2.91Å; G511-T514 PolarHBondContact O-OG1 2.73Å; G511-D515 WeakPolarHBondContact O-CB 3.32Å; G511-D515 PolarHBondContact O-N 2.86Å
512T70.8Confident69.1Low86 Ų8691.1 Ų91.153%0.52849%0.485SS..Hα-helixtrans-65.9-41.7178.6-40.40000111.5N508 F509 I510 D515 V516N508-T512 PolarHBondContact O-N 2.63Å; N508-T512 PolarHBondContact O-OG1 3.38Å; F509-T512 PolarHBondContact O-N 3.46Å; I510-T512 VanDerWaalsContact C-N 3.28Å; I510-T512 PolarHBondContact O-N 3.36Å; T512-D515 PolarHBondContact O-N 3.18Å; T512-V516 VanDerWaalsContact O-CG2 3.29Å; T512-V516 WeakPolarHBondContact O-CG2 3.49Å; T512-V516 PolarHBondContact O-N 2.99Å
513I74.3Confident68.8Low75 Ų7588 Ų8839%0.38548%0.483SS..Hα-helixtrans-62.4-48.3174.7-70.7172.2000110.5F509 I510 D515 V516 D517F509-I513 HydrophobicContact CD1-CD1 3.81Å; F509-I513 HydrophobicContact CE1-CD1 3.32Å; F509-I513 HydrophobicContact CE1-CG1 4.4Å; F509-I513 HydrophobicContact CE2-CD1 4.22Å; F509-I513 HydrophobicContact CG-CD1 4.46Å; F509-I513 HydrophobicContact CZ-CD1 3.56Å; F509-I513 HydrophobicContact CZ-CG1 4.35Å; F509-I513 WeakPolarHBondContact O-CG1 3.45Å; F509-I513 PolarHBondContact O-N 3.24Å; I510-I513 PolarHBondContact O-N 3.35Å; I513-D515 VanDerWaalsContact C-N 3.25Å; I513-D515 PolarHBondContact O-N 3.05Å; I513-V516 PolarHBondContact O-N 2.88Å; I513-V516 VanDerWaalsContact O-N 3.15Å; I513-D517 PolarHBondContact O-N 3.44Å
514T71.7Confident68.5Low75 Ų7589.3 Ų89.346%0.4649%0.486SS..Hα-helixtrans-62.7-35179.748.90000112.1I510 G511 D517 T518I510-T514 HydrophobicContact CG2-CG2 4.4Å; I510-T514 PolarHBondContact O-N 2.78Å; I510-T514 PolarHBondContact O-OG1 3.29Å; I510-T514 VanDerWaalsContact O-OG1 3.05Å; G511-T514 VanDerWaalsContact CA-OG1 3.32Å; G511-T514 WeakPolarHBondContact CA-OG1 3.35Å; G511-T514 PolarHBondContact O-N 2.91Å; G511-T514 PolarHBondContact O-OG1 2.73Å; T514-D517 PolarHBondContact O-N 3.15Å; T514-T518 WeakPolarHBondContact O-CG2 3.43Å; T514-T518 PolarHBondContact O-N 2.99Å; T514-T518 PolarHBondContact O-OG1 2.91Å
515D71.3Confident68.1Low76 Ų7694.8 Ų94.841%0.40650%0.496SS..Hα-helixtrans-72.9-31.6177.7-15447000112.1G511 T512 I513 T518 R519G511-D515 WeakPolarHBondContact O-CB 3.32Å; G511-D515 PolarHBondContact O-N 2.86Å; T512-D515 PolarHBondContact O-N 3.18Å; I513-D515 VanDerWaalsContact C-N 3.25Å; I513-D515 PolarHBondContact O-N 3.05Å; D515-T518 VanDerWaalsContact CA-OG1 3.31Å; D515-T518 WeakPolarHBondContact CA-OG1 3.17Å; D515-T518 PolarHBondContact O-OG1 3.16Å; D515-R519 WeakPolarHBondContact O-CB 3.35Å; D515-R519 WeakPolarHBondContact O-CG 3.31Å; D515-R519 PolarHBondContact O-N 3.37Å; D515-R519 VanDerWaalsContact O-N 3.16Å; D515-R519 IonicContact OD2-CZ 3.9Å; D515-R519 IonicContact OD2-NE 2.65Å; D515-R519 PolarHBondContact OD2-NE 3.41Å; D515-R519 IonicContact OD2-NH2 3.41Å; D515-R519 PolarHBondContact OD2-NH2 3.5Å
516V72.4Confident67.4Low66 Ų6692.4 Ų92.440%0.449%0.491SS..Hα-helixtrans-70.2-40.8170.9170.60000111.1T512 I513 R519 R520T512-V516 VanDerWaalsContact O-CG2 3.29Å; T512-V516 WeakPolarHBondContact O-CG2 3.49Å; T512-V516 PolarHBondContact O-N 2.99Å; I513-V516 PolarHBondContact O-N 2.88Å; I513-V516 VanDerWaalsContact O-N 3.15Å; V516-R519 PolarHBondContact O-N 3.41Å; V516-R520 WeakPolarHBondContact O-CB 3.29Å; V516-R520 WeakPolarHBondContact O-CG 3.42Å; V516-R520 PolarHBondContact O-N 2.93Å
517D68.6Low66.6Low81 Ų8195.2 Ų95.243%0.43351%0.507SS..Hα-helixtrans-70.2-37.3179-82.5-16.2000112.6I513 T514 R520 S521I513-D517 PolarHBondContact O-N 3.44Å; T514-D517 PolarHBondContact O-N 3.15Å; D517-R520 PolarHBondContact O-N 2.95Å; D517-S521 WeakPolarHBondContact O-CB 3.31Å; D517-S521 PolarHBondContact O-N 2.97Å; D517-S521 PolarHBondContact O-OG 3.33Å
518T69.8Low66Low66 Ų66100.7 Ų100.741%0.40552%0.522SS..Hα-helixtrans-65.9-42.2172.448.40000111.5T514 D515 R520 S521 Q522T514-T518 WeakPolarHBondContact O-CG2 3.43Å; T514-T518 PolarHBondContact O-N 2.99Å; T514-T518 PolarHBondContact O-OG1 2.91Å; D515-T518 VanDerWaalsContact CA-OG1 3.31Å; D515-T518 WeakPolarHBondContact CA-OG1 3.17Å; D515-T518 PolarHBondContact O-OG1 3.16Å; T518-R520 PolarHBondContact O-N 3.43Å; T518-S521 PolarHBondContact O-N 3.31Å; T518-Q522 WeakPolarHBondContact O-CB 3.39Å; T518-Q522 VanDerWaalsContact O-CG 3.31Å; T518-Q522 WeakPolarHBondContact O-CG 3.42Å; T518-Q522 PolarHBondContact O-N 3Å
519R69.1Low65.1Low162 Ų162102.6 Ų102.661%0.61153%0.532SS*.Hα-helixtrans-62.1-41173.8-73176.2-156.3-1657.9112.2D515 V516 Q522 A523D515-R519 WeakPolarHBondContact O-CB 3.35Å; D515-R519 WeakPolarHBondContact O-CG 3.31Å; D515-R519 PolarHBondContact O-N 3.37Å; D515-R519 VanDerWaalsContact O-N 3.16Å; D515-R519 IonicContact OD2-CZ 3.9Å; D515-R519 IonicContact OD2-NE 2.65Å; D515-R519 PolarHBondContact OD2-NE 3.41Å; D515-R519 IonicContact OD2-NH2 3.41Å; D515-R519 PolarHBondContact OD2-NH2 3.5Å; V516-R519 PolarHBondContact O-N 3.41Å; R519-Q522 PolarHBondContact O-N 2.9Å; R519-A523 WeakPolarHBondContact O-CB 3.41Å; R519-A523 PolarHBondContact O-N 3.3Å
520R67.6Low64.2Low162 Ų16299.7 Ų99.761%0.61153%0.533SS*.Hα-helixtrans-63.3-43.6174.1-80.4178.4169.8173.3-2.4112.3V516 D517 T518 Q522 A523 Q524V516-R520 WeakPolarHBondContact O-CB 3.29Å; V516-R520 WeakPolarHBondContact O-CG 3.42Å; V516-R520 PolarHBondContact O-N 2.93Å; D517-R520 PolarHBondContact O-N 2.95Å; T518-R520 PolarHBondContact O-N 3.43Å; R520-Q522 VanDerWaalsContact C-N 3.35Å; R520-Q522 PolarHBondContact O-N 2.75Å; R520-A523 PolarHBondContact O-N 2.88Å; R520-Q524 PolarHBondContact O-N 3.19Å
521S68.8Low62.9Low62 Ų62109.6 Ų109.643%0.43456%0.564SS.*Hα-helixtrans-65.4-37.2177.9-57.50000112.3D517 T518 R525D517-S521 WeakPolarHBondContact O-CB 3.31Å; D517-S521 PolarHBondContact O-N 2.97Å; D517-S521 PolarHBondContact O-OG 3.33Å; T518-S521 PolarHBondContact O-N 3.31Å; S521-R525 PolarHBondContact O-N 3.49Å; S521-R525 VanDerWaalsContact O-N 3.09Å
522Q66.1Low62.7Low138 Ų138113.5 Ų113.565%0.64558%0.576SS**Hα-helixtrans-70-38.5174.6-74.5177.4-6.700112.2T518 R519 R520 R525 G526T518-Q522 WeakPolarHBondContact O-CB 3.39Å; T518-Q522 VanDerWaalsContact O-CG 3.31Å; T518-Q522 WeakPolarHBondContact O-CG 3.42Å; T518-Q522 PolarHBondContact O-N 3Å; R519-Q522 PolarHBondContact O-N 2.9Å; R520-Q522 VanDerWaalsContact C-N 3.35Å; R520-Q522 PolarHBondContact O-N 2.75Å; Q522-R525 PolarHBondContact O-N 2.98Å; Q522-G526 PolarHBondContact O-N 3.42Å
523A62.6Low62.3Low63 Ų63114.9 Ų114.952%0.52158%0.578SS.*Hα-helixtrans-65.8-36.6174.200000112.5R519 R520 G526 N527R519-A523 WeakPolarHBondContact O-CB 3.41Å; R519-A523 PolarHBondContact O-N 3.3Å; R520-A523 PolarHBondContact O-N 2.88Å; A523-G526 PolarHBondContact O-N 3.09Å; A523-N527 PolarHBondContact O-N 3.4Å
524Q57.7Low61.6Low132 Ų132117.1 Ų117.162%0.61759%0.589SS**Hα-helixtrans-67.5-42.1174-78.8174-36.900112.4R520 G526 N527 E528R520-Q524 PolarHBondContact O-N 3.19Å; Q524-G526 VanDerWaalsContact C-N 3.29Å; Q524-G526 PolarHBondContact O-N 3.27Å; Q524-N527 PolarHBondContact O-N 3.47Å; Q524-E528 PolarHBondContact O-N 3.17Å; Q524-E528 VanDerWaalsContact O-N 3.17Å
525R57.3Low61Low182 Ų182119.6 Ų119.669%0.68760%0.597SS**Hα-helixtrans-65.8-29173.4-76-178.4177.6-178.80.5113.6S521 Q522 N527 N529S521-R525 PolarHBondContact O-N 3.49Å; S521-R525 VanDerWaalsContact O-N 3.09Å; Q522-R525 PolarHBondContact O-N 2.98Å; R525-N527 VanDerWaalsContact C-N 3.34Å; R525-N529 PolarHBondContact O-ND2 3.41Å
526G53.4Low60.4Low46 Ų46122.3 Ų122.347%0.47461%0.609SS.*Hα-helixtrans-67.4-32.5172.900000113.2Q522 A523 Q524Q522-G526 PolarHBondContact O-N 3.42Å; A523-G526 PolarHBondContact O-N 3.09Å; Q524-G526 VanDerWaalsContact C-N 3.29Å; Q524-G526 PolarHBondContact O-N 3.27Å
527N52.9Low59.6Low123 Ų123126.1 Ų126.166%0.65862%0.623SS**Hα-helixtrans-82.7-25.6177.6-920.6000113.9A523 Q524 R525 N529A523-N527 PolarHBondContact O-N 3.4Å; Q524-N527 PolarHBondContact O-N 3.47Å; R525-N527 VanDerWaalsContact C-N 3.34Å; N527-N529 VanDerWaalsContact C-N 3.34Å
528E52.7Low58.9Low153 Ų153129.3 Ų129.372%0.71564%0.636SS**Hα-helixtrans-75.9-20.3175.7-75.6-179162.500113.4Q524 A530Q524-E528 PolarHBondContact O-N 3.17Å; Q524-E528 VanDerWaalsContact O-N 3.17Å; E528-A530 VanDerWaalsContact C-N 3.34Å
529N51.3Low58.1Low147 Ų147134.2 Ų134.279%0.78665%0.654SS**THydrogen-bonded Turntrans-90.67.8175.3-73.2-28.6000113.8R525 N527R525-N529 PolarHBondContact O-ND2 3.41Å; N527-N529 VanDerWaalsContact C-N 3.34Å
530A51.6Low57.2Low73 Ų73131.8 Ų131.860%0.60366%0.658SS**THydrogen-bonded Turntrans-109.917.4-176.800000114.1E528E528-A530 VanDerWaalsContact C-N 3.34Å
531W44Very low56.2Low301 Ų301129.1 Ų129.1100%1.1466%0.662SS**  trans-119.80173-72.690.2000112

Retrieved 531 of 531 residues in 251.4 ms (Link to these results)

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