A0A093JTI2_STRCA Loading...

Large ribosomal subunit protein eL30

AlphaFold DB , UniProt , Accession A0A093JTI2, Species STRCA (Struthio camelus australis), Gene n/a, Length 108 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
1K48.8Very low77.6Confident209 Ų20981.3 Ų81.391%0.90941%0.414SS*.  0-58.40-106.7177.9175.8179.80112S3 L4 E5K1-S3 VanDerWaalsContact C-N 3.28Å; K1-S3 PolarHBondContact O-N 3.29Å; K1-L4 WeakPolarHBondContact O-CB 3.29Å; K1-L4 PolarHBondContact O-N 3.06Å; K1-E5 PolarHBondContact O-N 3.12Å
2K59.3Low78.9Confident184 Ų18480.5 Ų80.580%0.841%0.408SS*.Hα-helixtrans-56.9-33.7178.1-140.4174.8-174.9179.20114.8S6K2-S6 PolarHBondContact O-N 2.99Å
3S67.2Low80Confident92 Ų9280.3 Ų80.364%0.64341%0.408SS*.Hα-helixtrans-70.1-31.7175.852.70000114.2K1 I7K1-S3 VanDerWaalsContact C-N 3.28Å; K1-S3 PolarHBondContact O-N 3.29Å; S3-I7 PolarHBondContact O-N 3.25Å
4L67.9Low81.1Confident45 Ų4574.6 Ų74.624%0.23638%0.379CS..Hα-helixtrans-72.7-40.9178.9-82.7170.2000112.2K1 S6 I7 N8 Y67 S68K1-L4 WeakPolarHBondContact O-CB 3.29Å; K1-L4 PolarHBondContact O-N 3.06Å; L4-S6 VanDerWaalsContact C-N 3.27Å; L4-S6 PolarHBondContact O-N 3.02Å; L4-I7 HydrophobicContact CD2-CG2 4.41Å; L4-I7 VanDerWaalsContact O-CG2 3.26Å; L4-I7 WeakPolarHBondContact O-CG2 3.18Å; L4-I7 PolarHBondContact O-N 3.33Å; L4-N8 WeakPolarHBondContact O-CB 3.21Å; L4-N8 PolarHBondContact O-N 3.17Å; L4-N8 PolarHBondContact O-ND2 3.05Å; L4-Y67 HydrophobicContact CD2-CD2 4.18Å; L4-Y67 HydrophobicContact CD2-CE2 3.7Å; L4-S68 VanDerWaalsContact CD1-OG 3.25Å; L4-S68 WeakPolarHBondContact CD1-OG 3.45Å; L4-S68 WeakPolarHBondContact CD2-OG 3.27Å; L4-S68 VanDerWaalsContact CG-OG 3.23Å; L4-S68 WeakPolarHBondContact CG-OG 3.5Å
5E72.3Confident82Confident131 Ų13171.3 Ų71.361%0.61236%0.362SS*.Hα-helixtrans-64-36.7175.7-74.9169.416000111.4K1 S9K1-E5 PolarHBondContact O-N 3.12Å; E5-S9 PolarHBondContact O-N 2.89Å; E5-S9 VanDerWaalsContact O-N 3.1Å; E5-S9 PolarHBondContact O-OG 3.33Å
6S82.5Confident82.8Confident46 Ų4677.6 Ų77.632%0.32239%0.386SS..Hα-helixtrans-62.2-49.5175.1-175.20000111.7K2 L4 N8 S9 R10K2-S6 PolarHBondContact O-N 2.99Å; L4-S6 VanDerWaalsContact C-N 3.27Å; L4-S6 PolarHBondContact O-N 3.02Å; S6-N8 PolarHBondContact O-N 3.33Å; S6-S9 PolarHBondContact O-N 2.96Å; S6-R10 WeakPolarHBondContact O-CG 3.28Å; S6-R10 PolarHBondContact O-N 3.31Å
7I87.6Confident83.6Confident9 Ų975.9 Ų75.95%0.04638%0.383CS..Hα-helixtrans-68.4-34.1179.7-164.3164.6000112.9S3 L4 R10 L11 H65 Y67 I97 M101S3-I7 PolarHBondContact O-N 3.25Å; L4-I7 HydrophobicContact CD2-CG2 4.41Å; L4-I7 VanDerWaalsContact O-CG2 3.26Å; L4-I7 WeakPolarHBondContact O-CG2 3.18Å; L4-I7 PolarHBondContact O-N 3.33Å; I7-R10 PolarHBondContact O-N 3.33Å; I7-L11 HydrophobicContact CG1-CD1 4.24Å; I7-L11 HydrophobicContact CG1-CG 4.48Å; I7-L11 WeakPolarHBondContact O-CB 3.37Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 3.02Å; I7-H65 WeakPolarHBondContact CD1-CD2 3.25Å; I7-H65 WeakPolarHBondContact CD1-NE2 3.15Å; I7-Y67 HydrophobicContact CG2-CD2 4Å; I7-Y67 HydrophobicContact CG2-CE2 3.77Å; I7-I97 HydrophobicContact CG1-CD1 4.29Å; I7-M101 HydrophobicContact CD1-CE 4.29Å
8N91.6Very high84.2Confident43 Ų4372.6 Ų72.623%0.2337%0.371CS..Hα-helixtrans-65.1-41.2177.4-72.8-9.1000111.7L4 S6 R10 L11 Q12 Y67 A77L4-N8 WeakPolarHBondContact O-CB 3.21Å; L4-N8 PolarHBondContact O-N 3.17Å; L4-N8 PolarHBondContact O-ND2 3.05Å; S6-N8 PolarHBondContact O-N 3.33Å; N8-R10 VanDerWaalsContact C-N 3.33Å; N8-R10 PolarHBondContact O-N 3.39Å; N8-L11 PolarHBondContact O-N 3.34Å; N8-Q12 WeakPolarHBondContact O-CG 3.46Å; N8-Q12 PolarHBondContact O-N 2.9Å; N8-Y67 PolarHBondContact ND2-OH 3.31Å; N8-Y67 VanDerWaalsContact OD1-CE2 3.24Å; N8-Y67 WeakPolarHBondContact OD1-CE2 3.47Å; N8-Y67 PolarHBondContact OD1-OH 2.86Å; N8-A77 HydrophobicContact CB-CB 4.31Å; N8-A77 WeakPolarHBondContact OD1-CB 3.47Å
9S91.4Very high84.9Confident77 Ų7775.9 Ų75.954%0.53838%0.383SS..Hα-helixtrans-62.3-43.3175.8-56.20000111.2E5 S6 L11 Q12 L13E5-S9 PolarHBondContact O-N 2.89Å; E5-S9 VanDerWaalsContact O-N 3.1Å; E5-S9 PolarHBondContact O-OG 3.33Å; S6-S9 PolarHBondContact O-N 2.96Å; S9-L11 PolarHBondContact O-N 2.86Å; S9-Q12 PolarHBondContact O-N 2.86Å; S9-L13 PolarHBondContact O-N 3.35Å
10R91.9Very high85.5Confident58 Ų5875.2 Ų75.222%0.21938%0.376CS..Hα-helixtrans-63.9-39.6175.3-67.8177.4176.9150.65.7112.6S6 I7 N8 L13 V14 S95 D96 I97 S100S6-R10 WeakPolarHBondContact O-CG 3.28Å; S6-R10 PolarHBondContact O-N 3.31Å; I7-R10 PolarHBondContact O-N 3.33Å; N8-R10 VanDerWaalsContact C-N 3.33Å; N8-R10 PolarHBondContact O-N 3.39Å; R10-L13 PolarHBondContact O-N 2.95Å; R10-V14 WeakPolarHBondContact O-CG2 3.35Å; R10-V14 PolarHBondContact O-N 3.02Å; R10-V14 VanDerWaalsContact O-N 3.15Å; R10-S95 PolarHBondContact O-OG 3.21Å; R10-D96 WeakPolarHBondContact CD-OD1 3.25Å; R10-D96 VanDerWaalsContact CG-OD1 3.28Å; R10-D96 WeakPolarHBondContact CG-OD1 3.5Å; R10-D96 IonicContact CZ-OD2 3.04Å; R10-D96 IonicContact NE-OD1 3.08Å; R10-D96 PolarHBondContact NE-OD1 2.92Å; R10-D96 IonicContact NE-OD2 3.95Å; R10-D96 PolarHBondContact NE-OD2 3.28Å; R10-D96 IonicContact NH2-OD2 3.99Å; R10-D96 PolarHBondContact NH2-OD2 2.92Å; R10-I97 HydrophobicContact CB-CB 4.07Å; R10-I97 HydrophobicContact CB-CD1 4.17Å; R10-I97 HydrophobicContact CB-CG1 4.17Å; R10-S100 VanDerWaalsContact NH1-CB 3.34Å; R10-S100 PolarHBondContact NH1-OG 3.38Å
11L92.6Very high86Confident0 Ų072.4 Ų72.40%036%0.362CS..Hα-helixtrans-63.7-44.4176.2-83166.6000111.7I7 N8 S9 L13 V14 M15 I40 L74 A77 L87 I97I7-L11 HydrophobicContact CG1-CD1 4.24Å; I7-L11 HydrophobicContact CG1-CG 4.48Å; I7-L11 WeakPolarHBondContact O-CB 3.37Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 3.02Å; N8-L11 PolarHBondContact O-N 3.34Å; S9-L11 PolarHBondContact O-N 2.86Å; L11-L13 PolarHBondContact O-N 3.08Å; L11-V14 WeakPolarHBondContact O-CB 3.43Å; L11-V14 PolarHBondContact O-N 3.36Å; L11-V14 VanDerWaalsContact O-N 3.1Å; L11-M15 HydrophobicContact CD2-CE 4.3Å; L11-M15 VanDerWaalsContact O-CG 3.26Å; L11-M15 WeakPolarHBondContact O-CG 3.46Å; L11-M15 PolarHBondContact O-N 3.29Å; L11-I40 HydrophobicContact CD1-CD1 4.29Å; L11-I40 HydrophobicContact CD2-CD1 3.64Å; L11-I40 HydrophobicContact CG-CD1 4.28Å; L11-L74 HydrophobicContact CD1-CD1 4.04Å; L11-A77 HydrophobicContact CD1-CB 4.41Å; L11-L87 HydrophobicContact CD2-CD2 3.49Å; L11-L87 VanDerWaalsContact CD2-CD2 3.49Å; L11-I97 HydrophobicContact CD2-CD1 3.9Å; L11-I97 HydrophobicContact CG-CD1 3.92Å
12Q93.3Very high88.3Confident72 Ų7263.5 Ų63.534%0.33633%0.325SS..Hα-helixtrans-58.3-37176.6-73.8-70.7-34.400112.4N8 S9 M15 K16 A77N8-Q12 WeakPolarHBondContact O-CG 3.46Å; N8-Q12 PolarHBondContact O-N 2.9Å; S9-Q12 PolarHBondContact O-N 2.86Å; Q12-M15 PolarHBondContact O-N 3.2Å; Q12-K16 WeakPolarHBondContact O-CG 3.49Å; Q12-K16 PolarHBondContact O-N 3.28Å; Q12-A77 PolarHBondContact NE2-O 3.42Å
13L94.2Very high90Very high78 Ų7856.1 Ų56.141%0.40830%0.301SS..Hα-helixtrans-65.1-47.2173.3-68.6172.8000111.8S9 R10 L11 M15 K16 S17S9-L13 PolarHBondContact O-N 3.35Å; R10-L13 PolarHBondContact O-N 2.95Å; L11-L13 PolarHBondContact O-N 3.08Å; L13-M15 PolarHBondContact O-N 3.49Å; L13-K16 PolarHBondContact O-N 3.04Å; L13-S17 PolarHBondContact O-N 3.1Å; L13-S17 PolarHBondContact O-OG 3.15Å; L13-S17 VanDerWaalsContact O-OG 3.06Å
14V95.3Very high91.3Very high0 Ų054.4 Ų54.40%028%0.28CS..Hα-helixtrans-56.9-39.3175.51790000111.3R10 L11 K16 G18 Y20 I89 I97R10-V14 WeakPolarHBondContact O-CG2 3.35Å; R10-V14 PolarHBondContact O-N 3.02Å; R10-V14 VanDerWaalsContact O-N 3.15Å; L11-V14 WeakPolarHBondContact O-CB 3.43Å; L11-V14 PolarHBondContact O-N 3.36Å; L11-V14 VanDerWaalsContact O-N 3.1Å; V14-K16 PolarHBondContact O-N 3.43Å; V14-G18 WeakPolarHBondContact O-CA 3.48Å; V14-G18 PolarHBondContact O-N 3.34Å; V14-Y20 HydrophobicContact CG1-CD1 4.45Å; V14-I89 HydrophobicContact CG1-CD1 4.46Å; V14-I89 HydrophobicContact CG1-CG1 4.21Å; V14-I89 HydrophobicContact CG1-CG2 4.11Å; V14-I89 HydrophobicContact CG2-CD1 4.35Å; V14-I97 HydrophobicContact CG2-CG2 3.81Å
15M94.8Very high92.6Very high26 Ų2660.7 Ų60.713%0.12831%0.306CS..Hα-helixtrans-66.4-25.5-179.6-63.7-64.6143.800113.2L11 Q12 L13 Y20 C78 L87L11-M15 HydrophobicContact CD2-CE 4.3Å; L11-M15 VanDerWaalsContact O-CG 3.26Å; L11-M15 WeakPolarHBondContact O-CG 3.46Å; L11-M15 PolarHBondContact O-N 3.29Å; Q12-M15 PolarHBondContact O-N 3.2Å; L13-M15 PolarHBondContact O-N 3.49Å; M15-Y20 HydrophobicContact CB-CE1 4.4Å; M15-Y20 HydrophobicContact CE-CD1 4.43Å; M15-Y20 HydrophobicContact CE-CD2 4.06Å; M15-Y20 HydrophobicContact CE-CE2 4.29Å; M15-Y20 HydrophobicContact CE-CG 4.14Å; M15-Y20 HydrophobicContact SD-CD1 3.93Å; M15-Y20 HydrophobicContact SD-CD2 3.81Å; M15-Y20 HydrophobicContact SD-CE1 3.59Å; M15-Y20 VanDerWaalsContact SD-CE1 3.59Å; M15-Y20 HydrophobicContact SD-CE2 3.45Å; M15-Y20 WeakPolarHBondContact SD-CE2 3.26Å; M15-Y20 HydrophobicContact SD-CG 4.04Å; M15-C78 HydrophobicContact CE-CB 3.71Å; M15-C78 WeakPolarHBondContact CE-SG 3.49Å; M15-C78 HydrophobicContact CG-CB 4.23Å; M15-C78 WeakPolarHBondContact CG-O 3.28Å; M15-C78 HydrophobicContact SD-CB 3.77Å; M15-L87 HydrophobicContact CE-CD1 4.09Å; M15-L87 HydrophobicContact CE-CD2 4.08Å
16K94.6Very high93.8Very high171 Ų17159.4 Ų59.474%0.74330%0.3SS*.Hα-helixtrans-89.4-48-180-70.7178.5-178.7-177.30112.8Q12 L13 V14Q12-K16 WeakPolarHBondContact O-CG 3.49Å; Q12-K16 PolarHBondContact O-N 3.28Å; L13-K16 PolarHBondContact O-N 3.04Å; V14-K16 PolarHBondContact O-N 3.43Å
17S95.5Very high94.4Very high49 Ų4957.2 Ų57.234%0.34329%0.285SS..Hα-helixtrans-110.3-17.2-170.760.90000114.2L13 D94L13-S17 PolarHBondContact O-N 3.1Å; L13-S17 PolarHBondContact O-OG 3.15Å; L13-S17 VanDerWaalsContact O-OG 3.06Å; S17-D94 PolarHBondContact OG-N 3.29Å; S17-D94 VanDerWaalsContact OG-N 3.12Å
18G95.2Very high94.8Very high16 Ų1657.4 Ų57.417%0.16529%0.286CS..SBendtrans-96.1178.4-170.900000114.4V14 D91V14-G18 WeakPolarHBondContact O-CA 3.48Å; V14-G18 PolarHBondContact O-N 3.34Å; G18-D91 CarbonylContact C-O 3.56Å; G18-D91 VanDerWaalsContact CA-O 3.25Å; G18-D91 WeakPolarHBondContact CA-O 3.44Å
19K96.6Very high95.1Very high136 Ų13660.7 Ų60.759%0.59130%0.298SS*.EExtended strand (participates in β ladder)trans-114.1126.3171.2-63.6176.6-178.8168.20109.2I90 D91K19-I90 HydrophobicContact CB-CB 4.22Å; K19-I90 WeakPolarHBondContact O-CB 3.48Å; K19-I90 PolarHBondContact O-N 3.35Å; K19-D91 HydrophobicContact CB-CB 3.74Å; K19-D91 HydrophobicContact CD-CB 4.29Å; K19-D91 HydrophobicContact CG-CB 4.09Å; K19-D91 PolarHBondContact N-O 3.2Å; K19-D91 PolarHBondContact O-N 3.23Å
20Y96.4Very high95.4Very high62 Ų6258.6 Ų58.624%0.24328%0.28CS..EExtended strand (participates in β ladder)trans-144.6161.8-175.762.9-88.2000111V14 M15 L22 K80 L87 A88V14-Y20 HydrophobicContact CG1-CD1 4.45Å; M15-Y20 HydrophobicContact CB-CE1 4.4Å; M15-Y20 HydrophobicContact CE-CD1 4.43Å; M15-Y20 HydrophobicContact CE-CD2 4.06Å; M15-Y20 HydrophobicContact CE-CE2 4.29Å; M15-Y20 HydrophobicContact CE-CG 4.14Å; M15-Y20 HydrophobicContact SD-CD1 3.93Å; M15-Y20 HydrophobicContact SD-CD2 3.81Å; M15-Y20 HydrophobicContact SD-CE1 3.59Å; M15-Y20 VanDerWaalsContact SD-CE1 3.59Å; M15-Y20 HydrophobicContact SD-CE2 3.45Å; M15-Y20 WeakPolarHBondContact SD-CE2 3.26Å; M15-Y20 HydrophobicContact SD-CG 4.04Å; Y20-L22 HydrophobicContact CD2-CD1 4.38Å; Y20-L22 HydrophobicContact CD2-CD2 3.99Å; Y20-L22 HydrophobicContact CD2-CG 3.89Å; Y20-L22 HydrophobicContact CE2-CD1 3.91Å; Y20-L22 HydrophobicContact CE2-CD2 4.29Å; Y20-L22 HydrophobicContact CE2-CG 3.92Å; Y20-K80 PolarHBondContact OH-NZ 3.49Å; Y20-L87 HydrophobicContact CD2-CD1 4.4Å; Y20-L87 HydrophobicContact CG-CD1 4.49Å; Y20-A88 CarbonylContact C-O 3.47Å; Y20-A88 VanDerWaalsContact CA-O 3.28Å; Y20-A88 WeakPolarHBondContact CA-O 3.47Å
21V97.3Very high95.6Very high16 Ų1655.9 Ų55.910%0.09727%0.27CS..EExtended strand (participates in β ladder)trans-128.7146.2168.9-66.90000110Q26 M30 L87 A88 I90V21-Q26 HydrophobicContact CB-CB 4.02Å; V21-Q26 HydrophobicContact CG2-CB 4.31Å; V21-M30 HydrophobicContact CB-CG 4.46Å; V21-M30 HydrophobicContact CG1-CE 3.89Å; V21-M30 HydrophobicContact CG1-CG 4.03Å; V21-M30 HydrophobicContact CG2-CB 4.27Å; V21-M30 HydrophobicContact CG2-CG 3.66Å; V21-L87 WeakPolarHBondContact O-CA 3.49Å; V21-A88 HydrophobicContact CG2-CB 3.52Å; V21-A88 PolarHBondContact N-O 2.91Å; V21-A88 PolarHBondContact O-N 2.92Å; V21-I90 HydrophobicContact CG1-CD1 3.93Å
22L95.9Very high95.7Very high23 Ų2363.5 Ų63.512%0.1230%0.298CS..EExtended strand (participates in β ladder)trans-115.7142.3-178.8-59.1175.7000110.1Y20 Q26 K80 Y82 V84 L87Y20-L22 HydrophobicContact CD2-CD1 4.38Å; Y20-L22 HydrophobicContact CD2-CD2 3.99Å; Y20-L22 HydrophobicContact CD2-CG 3.89Å; Y20-L22 HydrophobicContact CE2-CD1 3.91Å; Y20-L22 HydrophobicContact CE2-CD2 4.29Å; Y20-L22 HydrophobicContact CE2-CG 3.92Å; L22-Q26 PolarHBondContact O-OE1 3.09Å; L22-K80 HydrophobicContact CD1-CD 4.21Å; L22-K80 HydrophobicContact CD1-CG 3.79Å; L22-Y82 HydrophobicContact CD1-CE2 4.39Å; L22-Y82 VanDerWaalsContact CD1-OH 3.31Å; L22-Y82 WeakPolarHBondContact CD1-OH 3.45Å; L22-V84 HydrophobicContact CD1-CG2 4.41Å; L22-V84 HydrophobicContact CD2-CG1 4.04Å; L22-L87 HydrophobicContact CD2-CB 3.96Å; L22-L87 HydrophobicContact CD2-CD1 3.8Å; L22-L87 HydrophobicContact CD2-CG 4.36Å
23G95.1Very high95.8Very high28 Ų2864.2 Ų64.229%0.28930%0.302SS..SBendtrans90.4158.1176.300000114T27 T86G23-T27 VanDerWaalsContact O-CB 3.28Å; G23-T27 WeakPolarHBondContact O-CB 3.31Å; G23-T27 PolarHBondContact O-N 3.23Å; G23-T27 PolarHBondContact O-OG1 3.03Å; G23-T86 PolarHBondContact N-O 3.41Å; G23-T86 PolarHBondContact O-OG1 2.93Å
24Y95.4Very high95.7Very high56 Ų5663.3 Ų63.322%0.2231%0.311CS..Hα-helixtrans-66.9-48.4-164.7159.2-91.3000112.9Q26 T27 L28 R49 E52 I53 T86Y24-Q26 VanDerWaalsContact C-N 3.34Å; Y24-Q26 PolarHBondContact O-N 3.43Å; Y24-T27 PolarHBondContact O-N 3.05Å; Y24-L28 WeakPolarHBondContact O-CB 3.47Å; Y24-L28 PolarHBondContact O-N 2.78Å; Y24-R49 HydrophobicContact CD2-CB 4.21Å; Y24-R49 HydrophobicContact CD2-CG 4.16Å; Y24-R49 HydrophobicContact CE2-CB 4.3Å; Y24-R49 HydrophobicContact CE2-CG 4.13Å; Y24-E52 WeakPolarHBondContact CE2-OE2 3.4Å; Y24-E52 VanDerWaalsContact CZ-OE2 3.28Å; Y24-E52 PolarHBondContact OH-OE1 3.5Å; Y24-E52 PolarHBondContact OH-OE2 3.1Å; Y24-I53 HydrophobicContact CD2-CD1 3.91Å; Y24-I53 HydrophobicContact CD2-CG1 3.9Å; Y24-I53 HydrophobicContact CE2-CD1 4.09Å; Y24-I53 HydrophobicContact CE2-CG1 4.09Å; Y24-T86 WeakPolarHBondContact CA-OG1 3.23Å; Y24-T86 PolarHBondContact N-OG1 3.38Å
25K95.6Very high95.7Very high177 Ų17768.7 Ų68.777%0.7734%0.335SS*.Hα-helixtrans-60.5-41.8-178.7-67.4-175.8178.4-178.70112.5K29K25-K29 WeakPolarHBondContact O-CB 3.28Å; K25-K29 PolarHBondContact O-N 2.79Å; K25-K29 VanDerWaalsContact O-N 3.09Å
26Q96.5Very high95.8Very high105 Ų10567.8 Ų67.849%0.49133%0.332SS..Hα-helixtrans-72.6-41179.1-65.1-170.4-4.900111.4V21 L22 Y24 K29 M30V21-Q26 HydrophobicContact CB-CB 4.02Å; V21-Q26 HydrophobicContact CG2-CB 4.31Å; L22-Q26 PolarHBondContact O-OE1 3.09Å; Y24-Q26 VanDerWaalsContact C-N 3.34Å; Y24-Q26 PolarHBondContact O-N 3.43Å; Q26-K29 WeakPolarHBondContact O-CB 3.33Å; Q26-K29 PolarHBondContact O-N 3.06Å; Q26-M30 WeakPolarHBondContact O-CG 3.32Å; Q26-M30 PolarHBondContact O-N 2.81Å
27T96.5Very high95.7Very high0 Ų065 Ų650%032%0.319CS..Hα-helixtrans-58-50.8175.5-59.40000110.3G23 Y24 K29 M30 I31 V39 I53 A88G23-T27 VanDerWaalsContact O-CB 3.28Å; G23-T27 WeakPolarHBondContact O-CB 3.31Å; G23-T27 PolarHBondContact O-N 3.23Å; G23-T27 PolarHBondContact O-OG1 3.03Å; Y24-T27 PolarHBondContact O-N 3.05Å; T27-K29 VanDerWaalsContact C-N 3.3Å; T27-K29 PolarHBondContact O-N 3.37Å; T27-M30 PolarHBondContact O-N 3.44Å; T27-M30 VanDerWaalsContact O-N 3.08Å; T27-I31 HydrophobicContact CG2-CD1 3.89Å; T27-I31 HydrophobicContact CG2-CG1 4.48Å; T27-I31 WeakPolarHBondContact O-CG1 3.31Å; T27-I31 PolarHBondContact O-N 3.38Å; T27-V39 HydrophobicContact CG2-CG1 3.85Å; T27-V39 HydrophobicContact CG2-CG2 4.27Å; T27-I53 HydrophobicContact CG2-CD1 4.07Å; T27-A88 HydrophobicContact CG2-CB 3.8Å
28L96.1Very high95.7Very high13 Ų1362.8 Ų62.87%0.06830%0.304CS..Hα-helixtrans-59.3-40177-17763.3000112.3Y24 R32 I53 Y56Y24-L28 WeakPolarHBondContact O-CB 3.47Å; Y24-L28 PolarHBondContact O-N 2.78Å; L28-R32 HydrophobicContact CD1-CG 4.47Å; L28-R32 WeakPolarHBondContact O-CB 3.35Å; L28-R32 WeakPolarHBondContact O-CG 3.43Å; L28-R32 PolarHBondContact O-N 2.98Å; L28-I53 HydrophobicContact CB-CD1 4.14Å; L28-I53 HydrophobicContact CD1-CD1 4.43Å; L28-Y56 HydrophobicContact CD1-CD1 4.34Å; L28-Y56 HydrophobicContact CD1-CD2 3.27Å; L28-Y56 HydrophobicContact CD1-CE2 3.67Å; L28-Y56 HydrophobicContact CD1-CG 3.66Å
29K97.1Very high95.7Very high111 Ų11162 Ų6248%0.48330%0.296SS..Hα-helixtrans-60.8-44.2174.2-178.9178.4176.7179.10111.7K25 Q26 T27 R32 Q33K25-K29 WeakPolarHBondContact O-CB 3.28Å; K25-K29 PolarHBondContact O-N 2.79Å; K25-K29 VanDerWaalsContact O-N 3.09Å; Q26-K29 WeakPolarHBondContact O-CB 3.33Å; Q26-K29 PolarHBondContact O-N 3.06Å; T27-K29 VanDerWaalsContact C-N 3.3Å; T27-K29 PolarHBondContact O-N 3.37Å; K29-R32 PolarHBondContact O-N 2.86Å; K29-Q33 VanDerWaalsContact CE-NE2 3.35Å; K29-Q33 WeakPolarHBondContact O-CB 3.4Å; K29-Q33 VanDerWaalsContact O-CG 3.29Å; K29-Q33 WeakPolarHBondContact O-CG 3.47Å; K29-Q33 PolarHBondContact O-N 2.95Å; K29-Q33 VanDerWaalsContact O-N 3.08Å
30M97.3Very high95.6Very high33 Ų3355.5 Ų55.516%0.16327%0.268CS..Hα-helixtrans-71.4-35.4-178.6-67.6-56.5168.900113V21 Q26 T27 Q33 G34 K35 A36 I90V21-M30 HydrophobicContact CB-CG 4.46Å; V21-M30 HydrophobicContact CG1-CE 3.89Å; V21-M30 HydrophobicContact CG1-CG 4.03Å; V21-M30 HydrophobicContact CG2-CB 4.27Å; V21-M30 HydrophobicContact CG2-CG 3.66Å; Q26-M30 WeakPolarHBondContact O-CG 3.32Å; Q26-M30 PolarHBondContact O-N 2.81Å; T27-M30 PolarHBondContact O-N 3.44Å; T27-M30 VanDerWaalsContact O-N 3.08Å; M30-Q33 PolarHBondContact O-N 3.39Å; M30-G34 PolarHBondContact O-N 2.84Å; M30-K35 PolarHBondContact O-N 3.14Å; M30-K35 HydrophobicContact SD-CB 4.37Å; M30-K35 HydrophobicContact SD-CD 4.34Å; M30-A36 HydrophobicContact CB-CB 4.23Å; M30-A36 PolarHBondContact O-N 2.95Å; M30-I90 HydrophobicContact CE-CD1 4.18Å; M30-I90 HydrophobicContact CG-CD1 4.01Å; M30-I90 HydrophobicContact CG-CG1 4.42Å; M30-I90 HydrophobicContact SD-CD1 3.88Å
31I95.6Very high95.6Very high1 Ų152.6 Ų52.61%0.00526%0.256CS..Hα-helixtrans-62.6-50.5172.5-63.9166000109.9T27 Q33 G34 A36 V39 I53 Y56 A60T27-I31 HydrophobicContact CG2-CD1 3.89Å; T27-I31 HydrophobicContact CG2-CG1 4.48Å; T27-I31 WeakPolarHBondContact O-CG1 3.31Å; T27-I31 PolarHBondContact O-N 3.38Å; I31-Q33 PolarHBondContact O-N 2.69Å; I31-G34 PolarHBondContact O-N 3.46Å; I31-A36 HydrophobicContact CG1-CB 3.98Å; I31-V39 HydrophobicContact CD1-CG2 3.78Å; I31-V39 HydrophobicContact CG1-CG2 3.91Å; I31-I53 HydrophobicContact CD1-CD1 4.08Å; I31-I53 HydrophobicContact CD1-CG2 3.96Å; I31-Y56 VanDerWaalsContact CG2-C 3.5Å; I31-Y56 VanDerWaalsContact CG2-O 3.31Å; I31-Y56 WeakPolarHBondContact CG2-O 3.22Å; I31-A60 HydrophobicContact CG2-CB 3.71Å
32R94.6Very high95.5Very high160 Ų16052 Ų5260%0.60425%0.253SS*.Hα-helixtrans-62.5-25.7178.4-71-171.4-59.7-168.23.1113.9L28 K29 G34 Y56L28-R32 HydrophobicContact CD1-CG 4.47Å; L28-R32 WeakPolarHBondContact O-CB 3.35Å; L28-R32 WeakPolarHBondContact O-CG 3.43Å; L28-R32 PolarHBondContact O-N 2.98Å; K29-R32 PolarHBondContact O-N 2.86Å; R32-G34 VanDerWaalsContact C-N 3.31Å; R32-Y56 HydrophobicContact CG-CD1 4.17Å; R32-Y56 HydrophobicContact CG-CE1 4.31Å
33Q95.6Very high95.5Very high88 Ų8856.2 Ų56.241%0.41128%0.276SS..THydrogen-bonded Turntrans-83.6-3.9174-72.3-176.24.600113.5K29 M30 I31 K35K29-Q33 VanDerWaalsContact CE-NE2 3.35Å; K29-Q33 WeakPolarHBondContact O-CB 3.4Å; K29-Q33 VanDerWaalsContact O-CG 3.29Å; K29-Q33 WeakPolarHBondContact O-CG 3.47Å; K29-Q33 PolarHBondContact O-N 2.95Å; K29-Q33 VanDerWaalsContact O-N 3.08Å; M30-Q33 PolarHBondContact O-N 3.39Å; I31-Q33 PolarHBondContact O-N 2.69Å; Q33-K35 HydrophobicContact CB-CD 4.23Å; Q33-K35 HydrophobicContact CB-CG 4.12Å; Q33-K35 PolarHBondContact O-N 3.26Å
34G93.2Very high95.4Very high59 Ų5958.8 Ų58.861%0.60828%0.282SS*.THydrogen-bonded Turntrans66.119-175.300000114M30 I31 R32M30-G34 PolarHBondContact O-N 2.84Å; I31-G34 PolarHBondContact O-N 3.46Å; R32-G34 VanDerWaalsContact C-N 3.31Å
35K95.6Very high95.3Very high113 Ų11356.5 Ų56.549%0.49128%0.275SS..  trans-95.9-20.6-177.6-68.8-178.7-177.5169.80113.2M30 Q33 I90M30-K35 PolarHBondContact O-N 3.14Å; M30-K35 HydrophobicContact SD-CB 4.37Å; M30-K35 HydrophobicContact SD-CD 4.34Å; Q33-K35 HydrophobicContact CB-CD 4.23Å; Q33-K35 HydrophobicContact CB-CG 4.12Å; Q33-K35 PolarHBondContact O-N 3.26Å; K35-I90 HydrophobicContact CB-CG2 4.46Å
36A95.6Very high95.3Very high7 Ų750.9 Ų50.96%0.05826%0.256CS..  trans-72.6129176.300000109.4M30 I31 V39 T62 A88M30-A36 HydrophobicContact CB-CB 4.23Å; M30-A36 PolarHBondContact O-N 2.95Å; I31-A36 HydrophobicContact CG1-CB 3.98Å; A36-V39 HydrophobicContact CB-CG2 4.45Å; A36-T62 HydrophobicContact CB-CG2 3.91Å; A36-T62 WeakPolarHBondContact O-CG2 3.33Å; A36-T62 PolarHBondContact O-OG1 3.33Å; A36-A88 HydrophobicContact CB-CB 4.18Å
37K94.1Very high95.1Very high111 Ų11149.4 Ų49.448%0.48326%0.262SS..SBendtrans-98.2-33.8174.5-61.4-177.7-178.3173.10111.8G63 I89 I90 I98K37-G63 PolarHBondContact O-N 3.29Å; K37-I89 PolarHBondContact N-O 3.08Å; K37-I90 WeakPolarHBondContact CD-O 3.42Å; K37-I90 WeakPolarHBondContact CE-O 3.38Å; K37-I90 WeakPolarHBondContact CG-O 3.34Å; K37-I98 HydrophobicContact CB-CD1 3.66Å; K37-I98 HydrophobicContact CD-CD1 3.99Å; K37-I98 HydrophobicContact CG-CD1 4.49Å
38L94.6Very high95Very high3 Ų356.3 Ų56.32%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-145.7137.5178.5172.861.5000110I40 G63 H65 I89 I97 I98 M101L38-I40 HydrophobicContact CG-CG1 4.38Å; L38-G63 CarbonylContact C-O 3.5Å; L38-G63 WeakPolarHBondContact CA-O 3.49Å; L38-G63 WeakPolarHBondContact CD1-O 3.45Å; L38-H65 HydrophobicContact CD1-CB 4.17Å; L38-I89 HydrophobicContact CB-CB 4.3Å; L38-I89 HydrophobicContact CB-CD1 4.5Å; L38-I89 HydrophobicContact CD2-CD1 3.92Å; L38-I89 HydrophobicContact CG-CD1 4.31Å; L38-I89 PolarHBondContact N-O 3.45Å; L38-I89 PolarHBondContact O-N 2.94Å; L38-I97 HydrophobicContact CD2-CD1 4.45Å; L38-I97 HydrophobicContact CD2-CG1 3.97Å; L38-I97 HydrophobicContact CD2-CG2 4.27Å; L38-I98 HydrophobicContact CB-CG1 4.21Å; L38-I98 HydrophobicContact CD2-CG1 4.29Å; L38-M101 HydrophobicContact CD1-CE 4.14Å; L38-M101 HydrophobicContact CD1-SD 3.35Å; L38-M101 WeakPolarHBondContact CD1-SD 3.47Å; L38-M101 HydrophobicContact CD2-CE 3.64Å; L38-M101 HydrophobicContact CD2-SD 3.62Å; L38-M101 HydrophobicContact CG-SD 4.15Å
39V95.7Very high94.8Very high0 Ų060 Ų600%031%0.311CS..EExtended strand (participates in β ladder)trans-115.7135.4175.1179.70000109.4T27 I31 A36 L41 I53 T62 G63 V64 H65 L87 A88T27-V39 HydrophobicContact CG2-CG1 3.85Å; T27-V39 HydrophobicContact CG2-CG2 4.27Å; I31-V39 HydrophobicContact CD1-CG2 3.78Å; I31-V39 HydrophobicContact CG1-CG2 3.91Å; A36-V39 HydrophobicContact CB-CG2 4.45Å; V39-L41 HydrophobicContact CG1-CD2 4.23Å; V39-L41 HydrophobicContact CG1-CG 4.41Å; V39-I53 HydrophobicContact CG1-CG2 3.64Å; V39-T62 HydrophobicContact CG2-CG2 3.83Å; V39-G63 PolarHBondContact N-O 3.08Å; V39-V64 HydrophobicContact CB-CG2 4.49Å; V39-V64 CarbonylContact O-C 3.54Å; V39-V64 WeakPolarHBondContact O-CA 3.49Å; V39-H65 PolarHBondContact O-N 2.82Å; V39-L87 CarbonylContact C-O 3.55Å; V39-L87 WeakPolarHBondContact CA-O 2.9Å; V39-A88 HydrophobicContact CG2-CB 4.43Å
40I94.9Very high94.7Very high0 Ų057.9 Ų57.90%030%0.302CS..EExtended strand (participates in β ladder)trans-116.5129.3177.3-54.6-172.3000109.4L11 L38 H65 L74 T86 L87 I89 I97L11-I40 HydrophobicContact CD1-CD1 4.29Å; L11-I40 HydrophobicContact CD2-CD1 3.64Å; L11-I40 HydrophobicContact CG-CD1 4.28Å; L38-I40 HydrophobicContact CG-CG1 4.38Å; I40-H65 WeakPolarHBondContact CA-O 3.35Å; I40-H65 HydrophobicContact CG1-CB 4.43Å; I40-L74 HydrophobicContact CG2-CD1 4.11Å; I40-L74 HydrophobicContact CG2-CD2 4.31Å; I40-T86 WeakPolarHBondContact O-CA 3.39Å; I40-L87 HydrophobicContact CB-CB 4.44Å; I40-L87 HydrophobicContact CB-CD2 4.11Å; I40-L87 HydrophobicContact CB-CG 4.32Å; I40-L87 HydrophobicContact CD1-CD2 3.9Å; I40-L87 HydrophobicContact CG1-CD2 4.25Å; I40-L87 PolarHBondContact N-O 3.24Å; I40-L87 PolarHBondContact O-N 3.27Å; I40-I89 HydrophobicContact CD1-CD1 4.03Å; I40-I97 HydrophobicContact CD1-CD1 3.98Å
41L95.4Very high94.6Very high1 Ų159.7 Ų59.71%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-116126.5-179-62.1176.5000109.9V39 K50 I53 E54 V64 H65 Y67 T86V39-L41 HydrophobicContact CG1-CD2 4.23Å; V39-L41 HydrophobicContact CG1-CG 4.41Å; L41-K50 HydrophobicContact CD1-CG 4.16Å; L41-I53 HydrophobicContact CD1-CG2 4.37Å; L41-I53 HydrophobicContact CD2-CB 4.31Å; L41-I53 HydrophobicContact CD2-CG2 3.91Å; L41-E54 HydrophobicContact CD1-CG 4.17Å; L41-V64 HydrophobicContact CD1-CG1 3.77Å; L41-V64 HydrophobicContact CG-CG1 4.28Å; L41-H65 PolarHBondContact N-O 2.99Å; L41-Y67 WeakPolarHBondContact O-CB 3.23Å; L41-Y67 PolarHBondContact O-N 2.84Å; L41-T86 HydrophobicContact CD2-CG2 3.51Å
42A95.9Very high94.6Very high3 Ų362.4 Ų62.43%0.02533%0.33CS..EExtended strand (participates in β ladder)trans-66.6149.4171.400000111N44 C45 N71 L74 C85A42-N44 VanDerWaalsContact C-N 3.29Å; A42-N44 PolarHBondContact O-N 3.46Å; A42-C45 VanDerWaalsContact O-CB 3.25Å; A42-C45 WeakPolarHBondContact O-CB 3.36Å; A42-C45 PolarHBondContact O-N 3.43Å; A42-N71 HydrophobicContact CB-CB 4.12Å; A42-L74 HydrophobicContact CB-CB 4.5Å; A42-L74 HydrophobicContact CB-CD2 3.96Å; A42-C85 PolarHBondContact N-O 2.98Å
43N94.3Very high94.7Very high112 Ų11254.8 Ų54.860%0.59930%0.302SS*.THydrogen-bonded Turntrans-59.8-37.6-177.2-171.316.5000113.1C45 Y67 S68 G69N43-C45 VanDerWaalsContact C-N 3.3Å; N43-C45 PolarHBondContact O-N 3.15Å; N43-Y67 WeakPolarHBondContact CB-O 3.31Å; N43-Y67 PolarHBondContact N-O 3.31Å; N43-Y67 VanDerWaalsContact N-O 3.13Å; N43-S68 WeakPolarHBondContact CB-O 3.4Å; N43-S68 PolarHBondContact ND2-O 2.86Å; N43-G69 VanDerWaalsContact CB-O 3.3Å; N43-G69 WeakPolarHBondContact CB-O 3.22Å; N43-G69 PolarHBondContact N-O 2.87Å
44N94.6Very high94.7Very high81 Ų8153.3 Ų53.343%0.43330%0.295SS..THydrogen-bonded Turntrans-89.619.6178.671.7-23000114A42 N71A42-N44 VanDerWaalsContact C-N 3.29Å; A42-N44 PolarHBondContact O-N 3.46Å; N44-N71 PolarHBondContact ND2-OD1 3.45Å; N44-N71 VanDerWaalsContact ND2-OD1 3.07Å; N44-N71 WeakPolarHBondContact OD1-CB 3.26Å; N44-N71 PolarHBondContact OD1-N 2.98Å
45C93.5Very high94.8Very high9 Ų957.1 Ų57.16%0.06129%0.292CS..SBendtrans-65.8130.8172.5-165.60000109.7A42 N43 A47 C85A42-C45 VanDerWaalsContact O-CB 3.25Å; A42-C45 WeakPolarHBondContact O-CB 3.36Å; A42-C45 PolarHBondContact O-N 3.43Å; N43-C45 VanDerWaalsContact C-N 3.3Å; N43-C45 PolarHBondContact O-N 3.15Å; C45-A47 PolarHBondContact O-N 2.98Å; C45-C85 HydrophobicContact CB-CB 4.47Å
46P93.9Very high94.8Very high59 Ų5955.1 Ų55.138%0.38328%0.282SS..  trans-56.6138.6-179.5-30.139.1000112.7L48 R49 K50P46-L48 VanDerWaalsContact C-N 3.3Å; P46-L48 PolarHBondContact O-N 3.29Å; P46-R49 VanDerWaalsContact CD-CZ 3.5Å; P46-R49 VanDerWaalsContact CG-NH2 3.27Å; P46-R49 PolarHBondContact O-N 3.22Å; P46-K50 PolarHBondContact O-N 3.09Å
47A92.8Very high94.7Very high74 Ų7454.8 Ų54.861%0.61228%0.279SS*.Hα-helixtrans-50.3-46.9-17200000113.1C45 R49 K50 S51C45-A47 PolarHBondContact O-N 2.98Å; A47-R49 PolarHBondContact O-N 3.34Å; A47-K50 WeakPolarHBondContact O-CB 3.39Å; A47-K50 PolarHBondContact O-N 2.88Å; A47-S51 PolarHBondContact O-N 3.24Å; A47-S51 PolarHBondContact O-OG 3.39Å
48L94Very high94.7Very high144 Ų14456.5 Ų56.575%0.75429%0.29SS*.Hα-helixtrans-59.7-44.3179.6-17463.7000112.8P46 K50 E52P46-L48 VanDerWaalsContact C-N 3.3Å; P46-L48 PolarHBondContact O-N 3.29Å; L48-K50 VanDerWaalsContact C-N 3.35Å; L48-E52 WeakPolarHBondContact O-CB 3.37Å; L48-E52 PolarHBondContact O-N 3.17Å
49R93.5Very high94.5Very high90 Ų9061.6 Ų61.634%0.3432%0.317SS..Hα-helixtrans-69.6-35.2178.5-74.3-167.9-84.9141.3-16.5112Y24 P46 A47 I53Y24-R49 HydrophobicContact CD2-CB 4.21Å; Y24-R49 HydrophobicContact CD2-CG 4.16Å; Y24-R49 HydrophobicContact CE2-CB 4.3Å; Y24-R49 HydrophobicContact CE2-CG 4.13Å; P46-R49 VanDerWaalsContact CD-CZ 3.5Å; P46-R49 VanDerWaalsContact CG-NH2 3.27Å; P46-R49 PolarHBondContact O-N 3.22Å; A47-R49 PolarHBondContact O-N 3.34Å; R49-I53 VanDerWaalsContact O-CG1 3.29Å; R49-I53 WeakPolarHBondContact O-CG1 3.42Å; R49-I53 PolarHBondContact O-N 3.39Å; R49-I53 VanDerWaalsContact O-N 3.16Å
50K94.6Very high94.4Very high68 Ų6863.4 Ų63.430%0.29633%0.332SS..Hα-helixtrans-63.5-54.8176174.2177.5178.3-175.70110.4L41 P46 A47 L48 E52 I53 E54 H66L41-K50 HydrophobicContact CD1-CG 4.16Å; P46-K50 PolarHBondContact O-N 3.09Å; A47-K50 WeakPolarHBondContact O-CB 3.39Å; A47-K50 PolarHBondContact O-N 2.88Å; L48-K50 VanDerWaalsContact C-N 3.35Å; K50-E52 VanDerWaalsContact C-N 3.31Å; K50-E52 PolarHBondContact O-N 2.86Å; K50-I53 PolarHBondContact O-N 3.37Å; K50-E54 WeakPolarHBondContact CE-OE1 3.29Å; K50-E54 WeakPolarHBondContact CG-OE1 3.38Å; K50-E54 WeakPolarHBondContact O-CG 3.18Å; K50-E54 PolarHBondContact O-N 3.17Å; K50-H66 WeakPolarHBondContact CE-CE1 3.16Å; K50-H66 WeakPolarHBondContact CE-ND1 3.26Å
51S95.3Very high94.2Very high70 Ų7072.9 Ų72.949%0.4937%0.373SS..Hα-helixtrans-60.5-38.8179.3-60.70000112.7A47 E54 Y55A47-S51 PolarHBondContact O-N 3.24Å; A47-S51 PolarHBondContact O-OG 3.39Å; S51-E54 PolarHBondContact O-N 2.95Å; S51-Y55 VanDerWaalsContact O-CB 3.31Å; S51-Y55 WeakPolarHBondContact O-CB 3.43Å; S51-Y55 PolarHBondContact O-N 2.95Å
52E95.5Very high94Very high58 Ų5873.4 Ų73.427%0.27138%0.377SS..Hα-helixtrans-64.9-45.7177.2-173.2-179.5-172.400112.2Y24 L48 K50 Y55 Y56Y24-E52 WeakPolarHBondContact CE2-OE2 3.4Å; Y24-E52 VanDerWaalsContact CZ-OE2 3.28Å; Y24-E52 PolarHBondContact OH-OE1 3.5Å; Y24-E52 PolarHBondContact OH-OE2 3.1Å; L48-E52 WeakPolarHBondContact O-CB 3.37Å; L48-E52 PolarHBondContact O-N 3.17Å; K50-E52 VanDerWaalsContact C-N 3.31Å; K50-E52 PolarHBondContact O-N 2.86Å; E52-Y55 PolarHBondContact O-N 3.27Å; E52-Y56 HydrophobicContact CG-CD2 3.9Å; E52-Y56 HydrophobicContact CG-CE2 3.76Å; E52-Y56 VanDerWaalsContact O-CD2 3.22Å; E52-Y56 WeakPolarHBondContact O-CD2 3.31Å; E52-Y56 PolarHBondContact O-N 3.49Å
53I95.9Very high93.8Very high0 Ų075 Ų750%039%0.393CS..Hα-helixtrans-64.7-41.6178.1-69.6-68.2000111.3Y24 T27 L28 I31 V39 L41 R49 K50 Y56 A57Y24-I53 HydrophobicContact CD2-CD1 3.91Å; Y24-I53 HydrophobicContact CD2-CG1 3.9Å; Y24-I53 HydrophobicContact CE2-CD1 4.09Å; Y24-I53 HydrophobicContact CE2-CG1 4.09Å; T27-I53 HydrophobicContact CG2-CD1 4.07Å; L28-I53 HydrophobicContact CB-CD1 4.14Å; L28-I53 HydrophobicContact CD1-CD1 4.43Å; I31-I53 HydrophobicContact CD1-CD1 4.08Å; I31-I53 HydrophobicContact CD1-CG2 3.96Å; V39-I53 HydrophobicContact CG1-CG2 3.64Å; L41-I53 HydrophobicContact CD1-CG2 4.37Å; L41-I53 HydrophobicContact CD2-CB 4.31Å; L41-I53 HydrophobicContact CD2-CG2 3.91Å; R49-I53 VanDerWaalsContact O-CG1 3.29Å; R49-I53 WeakPolarHBondContact O-CG1 3.42Å; R49-I53 PolarHBondContact O-N 3.39Å; R49-I53 VanDerWaalsContact O-N 3.16Å; K50-I53 PolarHBondContact O-N 3.37Å; I53-Y56 PolarHBondContact O-N 3.45Å; I53-A57 WeakPolarHBondContact O-CB 3.33Å; I53-A57 PolarHBondContact O-N 3.18Å
54E94.8Very high93.7Very high57 Ų5771.9 Ų71.927%0.26638%0.378SS..Hα-helixtrans-59.9-45.1175-76.7161.5-161.500111.9L41 K50 S51 A57 M58 V64 H66L41-E54 HydrophobicContact CD1-CG 4.17Å; K50-E54 WeakPolarHBondContact CE-OE1 3.29Å; K50-E54 WeakPolarHBondContact CG-OE1 3.38Å; K50-E54 WeakPolarHBondContact O-CG 3.18Å; K50-E54 PolarHBondContact O-N 3.17Å; S51-E54 PolarHBondContact O-N 2.95Å; E54-A57 PolarHBondContact O-N 3.48Å; E54-M58 WeakPolarHBondContact O-CB 3.21Å; E54-M58 PolarHBondContact O-N 2.73Å; E54-V64 HydrophobicContact CG-CG1 4.33Å; E54-H66 IonicContact OE1-CE1 3.28Å; E54-H66 PolarHBondContact OE1-CE1 3.15Å; E54-H66 IonicContact OE1-ND1 3.65Å; E54-H66 IonicContact OE1-NE2 3.36Å
55Y96.3Very high93.6Very high140 Ų14070.8 Ų70.855%0.54937%0.37SS..Hα-helixtrans-58.9-50.7177.6174.4-103.7000111.9S51 E52 A57 M58 L59S51-Y55 VanDerWaalsContact O-CB 3.31Å; S51-Y55 WeakPolarHBondContact O-CB 3.43Å; S51-Y55 PolarHBondContact O-N 2.95Å; E52-Y55 PolarHBondContact O-N 3.27Å; Y55-A57 PolarHBondContact O-N 2.87Å; Y55-M58 PolarHBondContact O-N 2.88Å; Y55-L59 HydrophobicContact CD1-CD1 4.25Å; Y55-L59 HydrophobicContact CE1-CD1 3.63Å; Y55-L59 HydrophobicContact CE2-CD1 4.27Å; Y55-L59 WeakPolarHBondContact O-CG 3.24Å; Y55-L59 PolarHBondContact O-N 3.24Å; Y55-L59 VanDerWaalsContact O-N 3.17Å
56Y95.6Very high93.6Very high71 Ų7174.9 Ų74.928%0.27839%0.389SS..Hα-helixtrans-67.6-36178.3-78.5-73.6000112.7L28 I31 R32 E52 I53 M58 L59 A60L28-Y56 HydrophobicContact CD1-CD1 4.34Å; L28-Y56 HydrophobicContact CD1-CD2 3.27Å; L28-Y56 HydrophobicContact CD1-CE2 3.67Å; L28-Y56 HydrophobicContact CD1-CG 3.66Å; I31-Y56 VanDerWaalsContact CG2-C 3.5Å; I31-Y56 VanDerWaalsContact CG2-O 3.31Å; I31-Y56 WeakPolarHBondContact CG2-O 3.22Å; R32-Y56 HydrophobicContact CG-CD1 4.17Å; R32-Y56 HydrophobicContact CG-CE1 4.31Å; E52-Y56 HydrophobicContact CG-CD2 3.9Å; E52-Y56 HydrophobicContact CG-CE2 3.76Å; E52-Y56 VanDerWaalsContact O-CD2 3.22Å; E52-Y56 WeakPolarHBondContact O-CD2 3.31Å; E52-Y56 PolarHBondContact O-N 3.49Å; I53-Y56 PolarHBondContact O-N 3.45Å; Y56-M58 VanDerWaalsContact C-N 3.35Å; Y56-L59 PolarHBondContact O-N 2.84Å; Y56-A60 WeakPolarHBondContact O-CB 3.45Å; Y56-A60 PolarHBondContact O-N 3.31Å
57A94.2Very high93.5Very high0 Ų072.4 Ų72.40%037%0.372CS..Hα-helixtrans-65.6-39.2177.100000111.4I53 E54 Y55 A60 K61 T62 V64I53-A57 WeakPolarHBondContact O-CB 3.33Å; I53-A57 PolarHBondContact O-N 3.18Å; E54-A57 PolarHBondContact O-N 3.48Å; Y55-A57 PolarHBondContact O-N 2.87Å; A57-A60 CarbonylContact O-C 3.56Å; A57-A60 PolarHBondContact O-N 3.23Å; A57-K61 PolarHBondContact O-N 3Å; A57-T62 PolarHBondContact O-N 2.79Å; A57-V64 HydrophobicContact CB-CG2 3.33Å
58M93.2Very high93.4Very high146 Ų14672 Ų7272%0.71937%0.365SS*.Hα-helixtrans-60-48.4174.1-174.9-179.2-173.100111.4E54 Y55 Y56 A60 K61E54-M58 WeakPolarHBondContact O-CB 3.21Å; E54-M58 PolarHBondContact O-N 2.73Å; Y55-M58 PolarHBondContact O-N 2.88Å; Y56-M58 VanDerWaalsContact C-N 3.35Å; M58-A60 VanDerWaalsContact C-N 3.3Å; M58-A60 PolarHBondContact O-N 3.09Å; M58-K61 PolarHBondContact O-N 2.94Å; M58-K61 VanDerWaalsContact O-N 3.15Å
59L91.6Very high93.3Very high110 Ų11065.4 Ų65.458%0.57633%0.331SS*.Hα-helixtrans-62-38177-66.9178000112.6Y55 Y56 K61Y55-L59 HydrophobicContact CD1-CD1 4.25Å; Y55-L59 HydrophobicContact CE1-CD1 3.63Å; Y55-L59 HydrophobicContact CE2-CD1 4.27Å; Y55-L59 WeakPolarHBondContact O-CG 3.24Å; Y55-L59 PolarHBondContact O-N 3.24Å; Y55-L59 VanDerWaalsContact O-N 3.17Å; Y56-L59 PolarHBondContact O-N 2.84Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 2.83Å
60A91.9Very high93.4Very high39 Ų3963.7 Ų63.732%0.32233%0.328SS..THydrogen-bonded Turntrans-84.13.7178.900000113.7I31 Y56 A57 M58 T62I31-A60 HydrophobicContact CG2-CB 3.71Å; Y56-A60 WeakPolarHBondContact O-CB 3.45Å; Y56-A60 PolarHBondContact O-N 3.31Å; A57-A60 CarbonylContact O-C 3.56Å; A57-A60 PolarHBondContact O-N 3.23Å; M58-A60 VanDerWaalsContact C-N 3.3Å; M58-A60 PolarHBondContact O-N 3.09Å; A60-T62 PolarHBondContact O-N 2.99Å; A60-T62 VanDerWaalsContact O-N 3.14Å; A60-T62 PolarHBondContact O-OG1 3.1Å
61K91.1Very high93.5Very high198 Ų19861.6 Ų61.686%0.86132%0.32SS*.THydrogen-bonded Turntrans49.436.6-173.9-57.3-176.9179.4-175.70113A57 M58 L59A57-K61 PolarHBondContact O-N 3Å; M58-K61 PolarHBondContact O-N 2.94Å; M58-K61 VanDerWaalsContact O-N 3.15Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 2.83Å
62T92.1Very high93.5Very high13 Ų1362.5 Ų62.58%0.0832%0.319CS..  trans-93.1133.4180-560000109.6A36 V39 A57 A60A36-T62 HydrophobicContact CB-CG2 3.91Å; A36-T62 WeakPolarHBondContact O-CG2 3.33Å; A36-T62 PolarHBondContact O-OG1 3.33Å; V39-T62 HydrophobicContact CG2-CG2 3.83Å; A57-T62 PolarHBondContact O-N 2.79Å; A60-T62 PolarHBondContact O-N 2.99Å; A60-T62 VanDerWaalsContact O-N 3.14Å; A60-T62 PolarHBondContact O-OG1 3.1Å
63G91.1Very high93.4Very high36 Ų3664.2 Ų64.237%0.37133%0.327SS..EExtended strand (participates in β ladder)trans-62.5141176.100000111.8K37 L38 V39K37-G63 PolarHBondContact O-N 3.29Å; L38-G63 CarbonylContact C-O 3.5Å; L38-G63 WeakPolarHBondContact CA-O 3.49Å; L38-G63 WeakPolarHBondContact CD1-O 3.45Å; V39-G63 PolarHBondContact N-O 3.08Å
64V93.3Very high93.3Very high47 Ų4764.2 Ų64.229%0.28533%0.327SS..EExtended strand (participates in β ladder)trans-121.8131.2174.9-177.80000109.4V39 L41 E54 A57V39-V64 HydrophobicContact CB-CG2 4.49Å; V39-V64 CarbonylContact O-C 3.54Å; V39-V64 WeakPolarHBondContact O-CA 3.49Å; L41-V64 HydrophobicContact CD1-CG1 3.77Å; L41-V64 HydrophobicContact CG-CG1 4.28Å; E54-V64 HydrophobicContact CG-CG1 4.33Å; A57-V64 HydrophobicContact CB-CG2 3.33Å
65H92.1Very high93.4Very high57 Ų5761.5 Ų61.526%0.26431%0.314SS..EExtended strand (participates in β ladder)trans-121.5127175.2-173.678.2000111.5I7 L38 V39 I40 L41 Y67 M101I7-H65 WeakPolarHBondContact CD1-CD2 3.25Å; I7-H65 WeakPolarHBondContact CD1-NE2 3.15Å; L38-H65 HydrophobicContact CD1-CB 4.17Å; V39-H65 PolarHBondContact O-N 2.82Å; I40-H65 WeakPolarHBondContact CA-O 3.35Å; I40-H65 HydrophobicContact CG1-CB 4.43Å; L41-H65 PolarHBondContact N-O 2.99Å; H65-Y67 PolarHBondContact O-N 3.04Å; H65-M101 HydrophobicContact CB-CE 3.56Å; H65-M101 HydrophobicContact CB-SD 3.89Å; H65-M101 VanDerWaalsContact CG-CE 3.47Å
66H92.4Very high93.3Very high96 Ų9659.3 Ų59.344%0.44432%0.315SS..EExtended strand (participates in β ladder)trans-86.3104.7173.4-58.2-86.8000109.7K50 E54 S68K50-H66 WeakPolarHBondContact CE-CE1 3.16Å; K50-H66 WeakPolarHBondContact CE-ND1 3.26Å; E54-H66 IonicContact OE1-CE1 3.28Å; E54-H66 PolarHBondContact OE1-CE1 3.15Å; E54-H66 IonicContact OE1-ND1 3.65Å; E54-H66 IonicContact OE1-NE2 3.36Å; H66-S68 PolarHBondContact O-N 2.8Å
67Y92.8Very high93.1Very high7 Ų756.2 Ų56.23%0.02731%0.305CS..EExtended strand (participates in β ladder)trans-69.8123.6172-175.9-108.8000109L4 I7 N8 L41 N43 H65 G69 E73 L74L4-Y67 HydrophobicContact CD2-CD2 4.18Å; L4-Y67 HydrophobicContact CD2-CE2 3.7Å; I7-Y67 HydrophobicContact CG2-CD2 4Å; I7-Y67 HydrophobicContact CG2-CE2 3.77Å; N8-Y67 PolarHBondContact ND2-OH 3.31Å; N8-Y67 VanDerWaalsContact OD1-CE2 3.24Å; N8-Y67 WeakPolarHBondContact OD1-CE2 3.47Å; N8-Y67 PolarHBondContact OD1-OH 2.86Å; L41-Y67 WeakPolarHBondContact O-CB 3.23Å; L41-Y67 PolarHBondContact O-N 2.84Å; N43-Y67 WeakPolarHBondContact CB-O 3.31Å; N43-Y67 PolarHBondContact N-O 3.31Å; N43-Y67 VanDerWaalsContact N-O 3.13Å; H65-Y67 PolarHBondContact O-N 3.04Å; Y67-G69 WeakPolarHBondContact CD1-O 3.37Å; Y67-G69 PolarHBondContact O-N 3.48Å; Y67-E73 HydrophobicContact CE1-CB 4.17Å; Y67-L74 HydrophobicContact CD1-CB 3.87Å; Y67-L74 HydrophobicContact CD1-CD1 4.04Å; Y67-L74 HydrophobicContact CD1-CG 4.39Å; Y67-L74 HydrophobicContact CD2-CD1 4.35Å; Y67-L74 HydrophobicContact CE1-CB 3.92Å; Y67-L74 HydrophobicContact CE1-CD1 4.33Å; Y67-L74 HydrophobicContact CG-CD1 4.05Å
68S91Very high93.1Very high66 Ų6656.3 Ų56.346%0.46231%0.305SS..SBendtrans-72-16.8-175.663.50000113.5L4 N43 H66L4-S68 VanDerWaalsContact CD1-OG 3.25Å; L4-S68 WeakPolarHBondContact CD1-OG 3.45Å; L4-S68 WeakPolarHBondContact CD2-OG 3.27Å; L4-S68 VanDerWaalsContact CG-OG 3.23Å; L4-S68 WeakPolarHBondContact CG-OG 3.5Å; N43-S68 WeakPolarHBondContact CB-O 3.4Å; N43-S68 PolarHBondContact ND2-O 2.86Å; H66-S68 PolarHBondContact O-N 2.8Å
69G92Very high93.1Very high4 Ų451.5 Ų51.54%0.04129%0.293CS..SBendtrans-81.9169.3174.600000113.9N43 Y67 E73N43-G69 VanDerWaalsContact CB-O 3.3Å; N43-G69 WeakPolarHBondContact CB-O 3.22Å; N43-G69 PolarHBondContact N-O 2.87Å; Y67-G69 WeakPolarHBondContact CD1-O 3.37Å; Y67-G69 PolarHBondContact O-N 3.48Å; G69-E73 WeakPolarHBondContact CA-OE2 3.42Å
70N95.3Very high93.2Very high54 Ų5449 Ų4929%0.28928%0.277SS..  trans-81.9175.7178.869.838.6000112.4I72 E73 L74N70-I72 VanDerWaalsContact C-N 3.27Å; N70-I72 PolarHBondContact O-N 3.38Å; N70-I72 WeakPolarHBondContact OD1-CA 3.5Å; N70-I72 WeakPolarHBondContact OD1-CB 3.49Å; N70-I72 PolarHBondContact OD1-N 3.16Å; N70-E73 PolarHBondContact N-OE2 2.49Å; N70-E73 PolarHBondContact O-N 3.34Å; N70-E73 WeakPolarHBondContact OD1-CG 3.34Å; N70-E73 PolarHBondContact OD1-N 2.93Å; N70-L74 WeakPolarHBondContact O-CB 3.44Å; N70-L74 PolarHBondContact O-N 3.02Å
71N95.3Very high93.2Very high25 Ų2558.7 Ų58.713%0.13431%0.307CS..Hα-helixtrans-66.1-19.8-179.362.4-7000115.5A42 N44 G75 V84 C85A42-N71 HydrophobicContact CB-CB 4.12Å; N44-N71 PolarHBondContact ND2-OD1 3.45Å; N44-N71 VanDerWaalsContact ND2-OD1 3.07Å; N44-N71 WeakPolarHBondContact OD1-CB 3.26Å; N44-N71 PolarHBondContact OD1-N 2.98Å; N71-G75 PolarHBondContact O-N 3.44Å; N71-V84 VanDerWaalsContact CA-O 3.22Å; N71-V84 WeakPolarHBondContact CA-O 3.47Å; N71-V84 VanDerWaalsContact CB-O 3.26Å; N71-V84 WeakPolarHBondContact CB-O 2.89Å; N71-V84 PolarHBondContact O-N 3.5Å; N71-C85 PolarHBondContact ND2-SG 2.82Å; N71-C85 VanDerWaalsContact ND2-SG 3.45Å
72I95.8Very high93.4Very high88 Ų8855.5 Ų55.545%0.45129%0.291SS..Hα-helixtrans-77.4-47.3173.3-62165.6000109N70 L74 G75 T76 R83N70-I72 VanDerWaalsContact C-N 3.27Å; N70-I72 PolarHBondContact O-N 3.38Å; N70-I72 WeakPolarHBondContact OD1-CA 3.5Å; N70-I72 WeakPolarHBondContact OD1-CB 3.49Å; N70-I72 PolarHBondContact OD1-N 3.16Å; I72-L74 VanDerWaalsContact C-N 3.35Å; I72-L74 PolarHBondContact O-N 3.38Å; I72-G75 PolarHBondContact O-N 3.06Å; I72-T76 PolarHBondContact O-N 3.04Å; I72-T76 PolarHBondContact O-OG1 3.39Å; I72-R83 HydrophobicContact CG1-CG 3.96Å
73E94.1Very high93.5Very high95 Ų9563.6 Ų63.644%0.44432%0.32SS..Hα-helixtrans-62.8-42177.5-68.1169.2170.400111.3Y67 G69 N70 T76 A77Y67-E73 HydrophobicContact CE1-CB 4.17Å; G69-E73 WeakPolarHBondContact CA-OE2 3.42Å; N70-E73 PolarHBondContact N-OE2 2.49Å; N70-E73 PolarHBondContact O-N 3.34Å; N70-E73 WeakPolarHBondContact OD1-CG 3.34Å; N70-E73 PolarHBondContact OD1-N 2.93Å; E73-T76 PolarHBondContact O-N 3.31Å; E73-A77 VanDerWaalsContact O-CB 3.31Å; E73-A77 WeakPolarHBondContact O-CB 3.44Å; E73-A77 PolarHBondContact O-N 3.2Å
74L94.3Very high93.7Very high0 Ų062 Ų620%030%0.303CS..Hα-helixtrans-64.3-42.7175.6-176.459.1000111.6L11 I40 A42 Y67 N70 I72 T76 A77 C78 V84L11-L74 HydrophobicContact CD1-CD1 4.04Å; I40-L74 HydrophobicContact CG2-CD1 4.11Å; I40-L74 HydrophobicContact CG2-CD2 4.31Å; A42-L74 HydrophobicContact CB-CB 4.5Å; A42-L74 HydrophobicContact CB-CD2 3.96Å; Y67-L74 HydrophobicContact CD1-CB 3.87Å; Y67-L74 HydrophobicContact CD1-CD1 4.04Å; Y67-L74 HydrophobicContact CD1-CG 4.39Å; Y67-L74 HydrophobicContact CD2-CD1 4.35Å; Y67-L74 HydrophobicContact CE1-CB 3.92Å; Y67-L74 HydrophobicContact CE1-CD1 4.33Å; Y67-L74 HydrophobicContact CG-CD1 4.05Å; N70-L74 WeakPolarHBondContact O-CB 3.44Å; N70-L74 PolarHBondContact O-N 3.02Å; I72-L74 VanDerWaalsContact C-N 3.35Å; I72-L74 PolarHBondContact O-N 3.38Å; L74-T76 VanDerWaalsContact C-N 3.33Å; L74-T76 PolarHBondContact O-N 3.48Å; L74-A77 PolarHBondContact O-N 3.31Å; L74-C78 PolarHBondContact O-N 2.81Å; L74-C78 PolarHBondContact O-SG 2.86Å; L74-V84 HydrophobicContact CD2-CG1 4.38Å
75G95Very high93.7Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-58.7-45.6174.400000112N71 I72 C78 G79 K80N71-G75 PolarHBondContact O-N 3.44Å; I72-G75 PolarHBondContact O-N 3.06Å; G75-C78 CarbonylContact O-C 3.56Å; G75-C78 WeakPolarHBondContact O-CA 2.89Å; G75-C78 WeakPolarHBondContact O-CB 3Å; G75-C78 PolarHBondContact O-N 3.39Å; G75-C78 VanDerWaalsContact O-N 3.09Å; G75-G79 PolarHBondContact O-N 2.91Å; G75-K80 CarbonylContact C-O 3.35Å; G75-K80 PolarHBondContact O-N 3.34Å
76T94.3Very high93.9Very high93 Ų9358 Ų5857%0.57128%0.283SS*.Hα-helixtrans-63.5-43.4176.8-53.20000111.5I72 E73 L74 C78 G79I72-T76 PolarHBondContact O-N 3.04Å; I72-T76 PolarHBondContact O-OG1 3.39Å; E73-T76 PolarHBondContact O-N 3.31Å; L74-T76 VanDerWaalsContact C-N 3.33Å; L74-T76 PolarHBondContact O-N 3.48Å; T76-C78 PolarHBondContact O-N 3.03Å; T76-G79 WeakPolarHBondContact O-CA 3.34Å; T76-G79 PolarHBondContact O-N 3.47Å
77A92.4Very high94Very high7 Ų753.5 Ų53.56%0.05826%0.262CS..Hα-helixtrans-63.2-22.7174.700000112.9N8 L11 Q12 E73 L74N8-A77 HydrophobicContact CB-CB 4.31Å; N8-A77 WeakPolarHBondContact OD1-CB 3.47Å; L11-A77 HydrophobicContact CD1-CB 4.41Å; Q12-A77 PolarHBondContact NE2-O 3.42Å; E73-A77 VanDerWaalsContact O-CB 3.31Å; E73-A77 WeakPolarHBondContact O-CB 3.44Å; E73-A77 PolarHBondContact O-N 3.2Å; L74-A77 PolarHBondContact O-N 3.31Å
78C93.6Very high94.2Very high2 Ų253.1 Ų53.11%0.01426%0.261CS..THydrogen-bonded Turntrans-89.71.9171.4-59.80000113.5M15 L74 G75 T76 K80M15-C78 HydrophobicContact CE-CB 3.71Å; M15-C78 WeakPolarHBondContact CE-SG 3.49Å; M15-C78 HydrophobicContact CG-CB 4.23Å; M15-C78 WeakPolarHBondContact CG-O 3.28Å; M15-C78 HydrophobicContact SD-CB 3.77Å; L74-C78 PolarHBondContact O-N 2.81Å; L74-C78 PolarHBondContact O-SG 2.86Å; G75-C78 CarbonylContact O-C 3.56Å; G75-C78 WeakPolarHBondContact O-CA 2.89Å; G75-C78 WeakPolarHBondContact O-CB 3Å; G75-C78 PolarHBondContact O-N 3.39Å; G75-C78 VanDerWaalsContact O-N 3.09Å; T76-C78 PolarHBondContact O-N 3.03Å; C78-K80 VanDerWaalsContact C-N 3.32Å; C78-K80 HydrophobicContact CB-CG 4.13Å; C78-K80 PolarHBondContact O-N 2.9Å
79G92.9Very high94.4Very high44 Ų4450 Ų5045%0.45424%0.239SC..THydrogen-bonded Turntrans69.126.9-175.200000113.8G75 T76G75-G79 PolarHBondContact O-N 2.91Å; T76-G79 WeakPolarHBondContact O-CA 3.34Å; T76-G79 PolarHBondContact O-N 3.47Å
80K94Very high94.6Very high57 Ų5751.6 Ų51.625%0.24825%0.246CC..  trans-109.8137.2179.6-54.3-55.6177.8-168.90110.9Y20 L22 G75 C78 Y82Y20-K80 PolarHBondContact OH-NZ 3.49Å; L22-K80 HydrophobicContact CD1-CD 4.21Å; L22-K80 HydrophobicContact CD1-CG 3.79Å; G75-K80 CarbonylContact C-O 3.35Å; G75-K80 PolarHBondContact O-N 3.34Å; C78-K80 VanDerWaalsContact C-N 3.32Å; C78-K80 HydrophobicContact CB-CG 4.13Å; C78-K80 PolarHBondContact O-N 2.9Å; K80-Y82 HydrophobicContact CB-CD1 4.12Å; K80-Y82 HydrophobicContact CB-CD2 4.49Å; K80-Y82 HydrophobicContact CB-CE1 3.9Å; K80-Y82 HydrophobicContact CB-CE2 4.27Å; K80-Y82 HydrophobicContact CB-CG 4.42Å; K80-Y82 HydrophobicContact CD-CE1 4.14Å; K80-Y82 HydrophobicContact CG-CE1 4.17Å; K80-Y82 HydrophobicContact CG-CE2 4.44Å; K80-Y82 PolarHBondContact O-N 3.38Å
81Y92.1Very high94.6Very high243 Ų24352 Ų5295%0.95325%0.248SC*.SBendtrans-8313176.2-57.8-77.7000113.7
82Y94.7Very high94.5Very high132 Ų13251.8 Ų51.852%0.51825%0.249SC..SBendtrans-129.1160.1177.660.3-99.8000111L22 K80 V84L22-Y82 HydrophobicContact CD1-CE2 4.39Å; L22-Y82 VanDerWaalsContact CD1-OH 3.31Å; L22-Y82 WeakPolarHBondContact CD1-OH 3.45Å; K80-Y82 HydrophobicContact CB-CD1 4.12Å; K80-Y82 HydrophobicContact CB-CD2 4.49Å; K80-Y82 HydrophobicContact CB-CE1 3.9Å; K80-Y82 HydrophobicContact CB-CE2 4.27Å; K80-Y82 HydrophobicContact CB-CG 4.42Å; K80-Y82 HydrophobicContact CD-CE1 4.14Å; K80-Y82 HydrophobicContact CG-CE1 4.17Å; K80-Y82 HydrophobicContact CG-CE2 4.44Å; K80-Y82 PolarHBondContact O-N 3.38Å; Y82-V84 HydrophobicContact CD2-CG2 3.98Å; Y82-V84 HydrophobicContact CE2-CG2 3.73Å
83R94.8Very high94.5Very high182 Ų18249 Ų4969%0.68724%0.242SC*.  trans-72.5134.1-175.2-55178.9-174.9156.2-0.1111I72I72-R83 HydrophobicContact CG1-CG 3.96Å
84V94.9Very high94.4Very high4 Ų451.2 Ų51.22%0.02426%0.257CS..  trans-125.7115.4177.5178.80000109L22 N71 L74 Y82 T86 L87L22-V84 HydrophobicContact CD1-CG2 4.41Å; L22-V84 HydrophobicContact CD2-CG1 4.04Å; N71-V84 VanDerWaalsContact CA-O 3.22Å; N71-V84 WeakPolarHBondContact CA-O 3.47Å; N71-V84 VanDerWaalsContact CB-O 3.26Å; N71-V84 WeakPolarHBondContact CB-O 2.89Å; N71-V84 PolarHBondContact O-N 3.5Å; L74-V84 HydrophobicContact CD2-CG1 4.38Å; Y82-V84 HydrophobicContact CD2-CG2 3.98Å; Y82-V84 HydrophobicContact CE2-CG2 3.73Å; V84-T86 WeakPolarHBondContact CG1-O 3.25Å; V84-L87 HydrophobicContact CG1-CB 4.49Å
85C94.3Very high94.3Very high19 Ų1951.7 Ų51.713%0.12826%0.26CS..SBendtrans-88-30.6174.8-72.30000113.1A42 C45 N71A42-C85 PolarHBondContact N-O 2.98Å; C45-C85 HydrophobicContact CB-CB 4.47Å; N71-C85 PolarHBondContact ND2-SG 2.82Å; N71-C85 VanDerWaalsContact ND2-SG 3.45Å
86T95.3Very high94Very high1 Ų155.2 Ų55.21%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-142.7140.3-172.963.60000109.7G23 Y24 I40 L41 V84G23-T86 PolarHBondContact N-O 3.41Å; G23-T86 PolarHBondContact O-OG1 2.93Å; Y24-T86 WeakPolarHBondContact CA-OG1 3.23Å; Y24-T86 PolarHBondContact N-OG1 3.38Å; I40-T86 WeakPolarHBondContact O-CA 3.39Å; L41-T86 HydrophobicContact CD2-CG2 3.51Å; V84-T86 WeakPolarHBondContact CG1-O 3.25Å
87L95.6Very high93.8Very high0 Ų050.8 Ų50.80%025%0.251CS..EExtended strand (participates in β ladder)trans-138.9137.3-179.7143.372.2000107.8L11 M15 Y20 V21 L22 V39 I40 V84 I89L11-L87 HydrophobicContact CD2-CD2 3.49Å; L11-L87 VanDerWaalsContact CD2-CD2 3.49Å; M15-L87 HydrophobicContact CE-CD1 4.09Å; M15-L87 HydrophobicContact CE-CD2 4.08Å; Y20-L87 HydrophobicContact CD2-CD1 4.4Å; Y20-L87 HydrophobicContact CG-CD1 4.49Å; V21-L87 WeakPolarHBondContact O-CA 3.49Å; L22-L87 HydrophobicContact CD2-CB 3.96Å; L22-L87 HydrophobicContact CD2-CD1 3.8Å; L22-L87 HydrophobicContact CD2-CG 4.36Å; V39-L87 CarbonylContact C-O 3.55Å; V39-L87 WeakPolarHBondContact CA-O 2.9Å; I40-L87 HydrophobicContact CB-CB 4.44Å; I40-L87 HydrophobicContact CB-CD2 4.11Å; I40-L87 HydrophobicContact CB-CG 4.32Å; I40-L87 HydrophobicContact CD1-CD2 3.9Å; I40-L87 HydrophobicContact CG1-CD2 4.25Å; I40-L87 PolarHBondContact N-O 3.24Å; I40-L87 PolarHBondContact O-N 3.27Å; V84-L87 HydrophobicContact CG1-CB 4.49Å; L87-I89 HydrophobicContact CD1-CG1 4.08Å; L87-I89 HydrophobicContact CG-CG1 4.37Å
88A96.7Very high93.5Very high0 Ų053 Ų530%026%0.261CS..EExtended strand (participates in β ladder)trans-114.7132.2167.900000110.2Y20 V21 T27 A36 V39Y20-A88 CarbonylContact C-O 3.47Å; Y20-A88 VanDerWaalsContact CA-O 3.28Å; Y20-A88 WeakPolarHBondContact CA-O 3.47Å; V21-A88 HydrophobicContact CG2-CB 3.52Å; V21-A88 PolarHBondContact N-O 2.91Å; V21-A88 PolarHBondContact O-N 2.92Å; T27-A88 HydrophobicContact CG2-CB 3.8Å; A36-A88 HydrophobicContact CB-CB 4.18Å; V39-A88 HydrophobicContact CG2-CB 4.43Å
89I96.1Very high92.6Very high0 Ų064 Ų640%030%0.303CS..EExtended strand (participates in β ladder)trans-97.3119.5173.7-60.7169.7000107.1V14 K37 L38 I40 L87 I97 I98V14-I89 HydrophobicContact CG1-CD1 4.46Å; V14-I89 HydrophobicContact CG1-CG1 4.21Å; V14-I89 HydrophobicContact CG1-CG2 4.11Å; V14-I89 HydrophobicContact CG2-CD1 4.35Å; K37-I89 PolarHBondContact N-O 3.08Å; L38-I89 HydrophobicContact CB-CB 4.3Å; L38-I89 HydrophobicContact CB-CD1 4.5Å; L38-I89 HydrophobicContact CD2-CD1 3.92Å; L38-I89 HydrophobicContact CG-CD1 4.31Å; L38-I89 PolarHBondContact N-O 3.45Å; L38-I89 PolarHBondContact O-N 2.94Å; I40-I89 HydrophobicContact CD1-CD1 4.03Å; L87-I89 HydrophobicContact CD1-CG1 4.08Å; L87-I89 HydrophobicContact CG-CG1 4.37Å; I89-I97 HydrophobicContact CD1-CD1 3.84Å; I89-I97 HydrophobicContact CD1-CG2 3.95Å; I89-I98 HydrophobicContact CG2-CD1 4.4Å
90I96Very high91Very high38 Ų3864.2 Ų64.220%0.19530%0.297CS..EExtended strand (participates in β ladder)trans-93.7-42.2177.8-60.1168.3000109K19 V21 M30 K35 K37K19-I90 HydrophobicContact CB-CB 4.22Å; K19-I90 WeakPolarHBondContact O-CB 3.48Å; K19-I90 PolarHBondContact O-N 3.35Å; V21-I90 HydrophobicContact CG1-CD1 3.93Å; M30-I90 HydrophobicContact CE-CD1 4.18Å; M30-I90 HydrophobicContact CG-CD1 4.01Å; M30-I90 HydrophobicContact CG-CG1 4.42Å; M30-I90 HydrophobicContact SD-CD1 3.88Å; K35-I90 HydrophobicContact CB-CG2 4.46Å; K37-I90 WeakPolarHBondContact CD-O 3.42Å; K37-I90 WeakPolarHBondContact CE-O 3.38Å; K37-I90 WeakPolarHBondContact CG-O 3.34Å
91D94.9Very high89.4Confident61 Ų6163.5 Ų63.533%0.32630%0.295SS..EExtended strand (participates in β ladder)trans-137.1120.5178-165.7-20.8000108.8G18 K19 G93G18-D91 CarbonylContact C-O 3.56Å; G18-D91 VanDerWaalsContact CA-O 3.25Å; G18-D91 WeakPolarHBondContact CA-O 3.44Å; K19-D91 HydrophobicContact CB-CB 3.74Å; K19-D91 HydrophobicContact CD-CB 4.29Å; K19-D91 HydrophobicContact CG-CB 4.09Å; K19-D91 PolarHBondContact N-O 3.2Å; K19-D91 PolarHBondContact O-N 3.23Å; D91-G93 PolarHBondContact O-N 2.97Å; D91-G93 PolarHBondContact OD1-N 3.38Å
92P93Very high87.4Confident22 Ų2257.4 Ų57.414%0.14329%0.285CS..  trans-69-17178.831.2-37.9000113.3D94 S95 I97 I98P92-D94 PolarHBondContact O-N 3Å; P92-S95 WeakPolarHBondContact CB-O 3.44Å; P92-S95 VanDerWaalsContact O-CB 3.27Å; P92-S95 WeakPolarHBondContact O-CB 3.34Å; P92-S95 PolarHBondContact O-N 3.04Å; P92-I97 HydrophobicContact CB-CG2 4.18Å; P92-I98 HydrophobicContact CB-CD1 3.89Å; P92-I98 HydrophobicContact CB-CG1 4.13Å; P92-I98 HydrophobicContact CG-CD1 3.75Å; P92-I98 HydrophobicContact CG-CG1 4.38Å
93G94.9Very high85.1Confident30 Ų3059.4 Ų59.431%0.30930%0.299SS..THydrogen-bonded Turntrans57.4-129.4-169.800000110.7D91 S95D91-G93 PolarHBondContact O-N 2.97Å; D91-G93 PolarHBondContact OD1-N 3.38Å; G93-S95 PolarHBondContact O-N 2.88Å
94D92.4Very high82.7Confident141 Ų14159.5 Ų59.575%0.75431%0.308SS*.THydrogen-bonded Turntrans-80-0.2-179.5-56.5-32.7000113.7S17 P92S17-D94 PolarHBondContact OG-N 3.29Å; S17-D94 VanDerWaalsContact OG-N 3.12Å; P92-D94 PolarHBondContact O-N 3Å
95S92.8Very high80Confident9 Ų964 Ų646%0.06334%0.336CS..  trans-82136.6-178-169.90000112.4R10 P92 G93 I97R10-S95 PolarHBondContact O-OG 3.21Å; P92-S95 WeakPolarHBondContact CB-O 3.44Å; P92-S95 VanDerWaalsContact O-CB 3.27Å; P92-S95 WeakPolarHBondContact O-CB 3.34Å; P92-S95 PolarHBondContact O-N 3.04Å; G93-S95 PolarHBondContact O-N 2.88Å; S95-I97 PolarHBondContact O-N 3.06Å; S95-I97 WeakPolarHBondContact OG-CB 3.3Å; S95-I97 PolarHBondContact OG-N 2.92Å
96D89.4Confident77.4Confident75 Ų7568.1 Ų68.140%0.40136%0.364SS..  trans-82.29.5173.470.8-35.1000113.3R10 I98 R99 S100R10-D96 WeakPolarHBondContact CD-OD1 3.25Å; R10-D96 VanDerWaalsContact CG-OD1 3.28Å; R10-D96 WeakPolarHBondContact CG-OD1 3.5Å; R10-D96 IonicContact CZ-OD2 3.04Å; R10-D96 IonicContact NE-OD1 3.08Å; R10-D96 PolarHBondContact NE-OD1 2.92Å; R10-D96 IonicContact NE-OD2 3.95Å; R10-D96 PolarHBondContact NE-OD2 3.28Å; R10-D96 IonicContact NH2-OD2 3.99Å; R10-D96 PolarHBondContact NH2-OD2 2.92Å; D96-I98 PolarHBondContact O-N 2.9Å; D96-R99 PolarHBondContact O-N 3.28Å; D96-S100 PolarHBondContact O-N 3.25Å
97I89.6Confident74.5Confident0 Ų076.4 Ų76.40%040%0.403CS..THydrogen-bonded Turntrans-53.5-35.3-170.6-161.7164.8000114.5I7 R10 L11 V14 L38 I40 I89 P92 S95 S100 M101I7-I97 HydrophobicContact CG1-CD1 4.29Å; R10-I97 HydrophobicContact CB-CB 4.07Å; R10-I97 HydrophobicContact CB-CD1 4.17Å; R10-I97 HydrophobicContact CB-CG1 4.17Å; L11-I97 HydrophobicContact CD2-CD1 3.9Å; L11-I97 HydrophobicContact CG-CD1 3.92Å; V14-I97 HydrophobicContact CG2-CG2 3.81Å; L38-I97 HydrophobicContact CD2-CD1 4.45Å; L38-I97 HydrophobicContact CD2-CG1 3.97Å; L38-I97 HydrophobicContact CD2-CG2 4.27Å; I40-I97 HydrophobicContact CD1-CD1 3.98Å; I89-I97 HydrophobicContact CD1-CD1 3.84Å; I89-I97 HydrophobicContact CD1-CG2 3.95Å; P92-I97 HydrophobicContact CB-CG2 4.18Å; S95-I97 PolarHBondContact O-N 3.06Å; S95-I97 WeakPolarHBondContact OG-CB 3.3Å; S95-I97 PolarHBondContact OG-N 2.92Å; I97-S100 PolarHBondContact O-OG 3.3Å; I97-S100 VanDerWaalsContact O-OG 3.09Å; I97-M101 HydrophobicContact CG1-CE 4.3Å
98I86.1Confident71.4Confident52 Ų5289.5 Ų89.527%0.26746%0.46SS..THydrogen-bonded Turntrans-79.6-39-179-57.2-177.6000111.4K37 L38 I89 P92 D96 S100 M101K37-I98 HydrophobicContact CB-CD1 3.66Å; K37-I98 HydrophobicContact CD-CD1 3.99Å; K37-I98 HydrophobicContact CG-CD1 4.49Å; L38-I98 HydrophobicContact CB-CG1 4.21Å; L38-I98 HydrophobicContact CD2-CG1 4.29Å; I89-I98 HydrophobicContact CG2-CD1 4.4Å; P92-I98 HydrophobicContact CB-CD1 3.89Å; P92-I98 HydrophobicContact CB-CG1 4.13Å; P92-I98 HydrophobicContact CG-CD1 3.75Å; P92-I98 HydrophobicContact CG-CG1 4.38Å; D96-I98 PolarHBondContact O-N 2.9Å; I98-S100 VanDerWaalsContact C-N 3.26Å; I98-S100 PolarHBondContact O-N 3.28Å; I98-M101 PolarHBondContact O-N 2.93Å
99R74.8Confident70.2Confident234 Ų23494 Ų9488%0.88348%0.483SS*.THydrogen-bonded Turntrans-69.6-26.2-177.1-70.7-178.3173.6-156.1-1.8113D96 M101D96-R99 PolarHBondContact O-N 3.28Å; R99-M101 VanDerWaalsContact C-N 3.26Å; R99-M101 PolarHBondContact O-N 3.13Å
100S58Low68.8Low48 Ų4898.9 Ų98.934%0.33651%0.508SS..THydrogen-bonded Turntrans-80.4-2.3-177.669.80000114.7R10 D96 I97 I98R10-S100 VanDerWaalsContact NH1-CB 3.34Å; R10-S100 PolarHBondContact NH1-OG 3.38Å; D96-S100 PolarHBondContact O-N 3.25Å; I97-S100 PolarHBondContact O-OG 3.3Å; I97-S100 VanDerWaalsContact O-OG 3.09Å; I98-S100 VanDerWaalsContact C-N 3.26Å; I98-S100 PolarHBondContact O-N 3.28Å
101M61.2Low67.3Low42 Ų42102.3 Ų102.321%0.20753%0.526CS..SBendtrans-99.4129.9-179.9-71177.7-172.900109.4I7 L38 H65 I97 I98 R99 E103I7-M101 HydrophobicContact CD1-CE 4.29Å; L38-M101 HydrophobicContact CD1-CE 4.14Å; L38-M101 HydrophobicContact CD1-SD 3.35Å; L38-M101 WeakPolarHBondContact CD1-SD 3.47Å; L38-M101 HydrophobicContact CD2-CE 3.64Å; L38-M101 HydrophobicContact CD2-SD 3.62Å; L38-M101 HydrophobicContact CG-SD 4.15Å; H65-M101 HydrophobicContact CB-CE 3.56Å; H65-M101 HydrophobicContact CB-SD 3.89Å; H65-M101 VanDerWaalsContact CG-CE 3.47Å; I97-M101 HydrophobicContact CG1-CE 4.3Å; I98-M101 PolarHBondContact O-N 2.93Å; R99-M101 VanDerWaalsContact C-N 3.26Å; R99-M101 PolarHBondContact O-N 3.13Å; M101-E103 PolarHBondContact O-N 3.07Å
102P49.2Very low65.7Low115 Ų115104.8 Ų104.875%0.74754%0.538SS*.  trans-57.5127.2170.724.5-30.5000107Q104P102-Q104 PolarHBondContact O-N 3.07Å
103E47Very low64Low174 Ų174109.9 Ų109.981%0.81356%0.562SS**  trans-50.8113.5160.2-75.2-176.410100105.4M101 T105M101-E103 PolarHBondContact O-N 3.07Å; E103-T105 PolarHBondContact O-N 3.4Å
104Q44.8Very low61.9Low185 Ų185115.3 Ų115.386%0.86458%0.579SS**  trans-7175.4157.4-75-159.8-13.100105.5P102 S106P102-Q104 PolarHBondContact O-N 3.07Å; Q104-S106 PolarHBondContact O-N 3.45Å
105T37.1Very low59.7Low99 Ų99113.4 Ų113.461%0.60757%0.567SS**  trans-52.5109.7163.5-52.60000104.9E103 E107E103-T105 PolarHBondContact O-N 3.4Å; T105-E107 PolarHBondContact O-N 3.18Å
106S41.3Very low57.2Low104 Ų104121.5 Ų121.573%0.72761%0.605SS**  trans-66.685.8170.5-51.80000106.8Q104 K108Q104-S106 PolarHBondContact O-N 3.45Å; S106-K108 VanDerWaalsContact C-N 3.29Å; S106-K108 PolarHBondContact O-N 3.16Å; S106-K108 VanDerWaalsContact O-N 3.15Å
107E32.7Very low54.5Low175 Ų175125.3 Ų125.382%0.81862%0.622SS**  trans-74.691159.5-83.3-176.4131.300107.8T105T105-E107 PolarHBondContact O-N 3.18Å
108K32.1Very low51.3Low276 Ų276136.7 Ų136.7100%1.268%0.679SS**  trans155.50135.5-84.1179.2-176.3-174.90110.9S106S106-K108 VanDerWaalsContact C-N 3.29Å; S106-K108 PolarHBondContact O-N 3.16Å; S106-K108 VanDerWaalsContact O-N 3.15Å

Retrieved 108 of 108 residues in 32.6 ms (Link to these results)

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