A0A087XEK6_POEFO Loading...

Intraflagellar transport 27

AlphaFold DB , UniProt , Accession A0A087XEK6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 188 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M84Confident95.7Very high192 Ų19257.2 Ų57.295%0.94625%0.252SS*.  082.70-173.3160.999.300108.5N55 D56M1-N55 WeakPolarHBondContact CA-O 3.43Å; M1-N55 HydrophobicContact CB-CB 4.34Å; M1-N55 WeakPolarHBondContact CB-O 3.29Å; M1-N55 WeakPolarHBondContact CG-O 3.46Å; M1-D56 WeakPolarHBondContact CA-OD1 3.44Å; M1-D56 PolarHBondContact N-OD1 3.42Å
2V92.1Very high95.9Very high34 Ų3452.4 Ų52.421%0.20623%0.231CC..  trans-95.8140.3168.2-179.10000107.6L4 D56 S57 Y175V2-L4 HydrophobicContact CG1-CD2 3.53Å; V2-L4 HydrophobicContact CG1-CG 3.92Å; V2-D56 PolarHBondContact N-OD1 3.25Å; V2-D56 WeakPolarHBondContact O-CA 3.49Å; V2-S57 PolarHBondContact O-N 3.39Å; V2-Y175 HydrophobicContact CB-CE1 4.32Å; V2-Y175 HydrophobicContact CG1-CE1 3.94Å; V2-Y175 HydrophobicContact CG2-CE1 4.26Å
3K95.6Very high96.1Very high115 Ų11550.8 Ų50.850%0.523%0.226SC..EExtended strand (participates in β ladder)trans-115.3108171.5-173.7167.7178.8-178.90108.2E59K3-E59 WeakPolarHBondContact CE-OE1 2.94Å; K3-E59 WeakPolarHBondContact CE-OE2 3.36Å; K3-E59 IonicContact NZ-OE1 2.62Å; K3-E59 PolarHBondContact NZ-OE1 2.95Å; K3-E59 IonicContact NZ-OE2 3.16Å
4L97.6Very high96.1Very high18 Ų1850 Ų509%0.09423%0.234CC..EExtended strand (participates in β ladder)trans-92.6157.1-178.6-63.4-179.9000110.5V2 S57 V58 E59 F171 Y172 Y175V2-L4 HydrophobicContact CG1-CD2 3.53Å; V2-L4 HydrophobicContact CG1-CG 3.92Å; L4-S57 PolarHBondContact N-O 3.15Å; L4-V58 HydrophobicContact CB-CG2 4.17Å; L4-V58 HydrophobicContact CD1-CG2 4.32Å; L4-E59 PolarHBondContact O-N 3.23Å; L4-F171 HydrophobicContact CB-CD1 4.24Å; L4-F171 HydrophobicContact CB-CE1 4.01Å; L4-F171 HydrophobicContact CD1-CD1 4.19Å; L4-F171 HydrophobicContact CD1-CE1 4.34Å; L4-Y172 HydrophobicContact CD1-CD2 3.84Å; L4-Y175 HydrophobicContact CD1-CD1 3.65Å; L4-Y175 HydrophobicContact CD1-CD2 4.48Å; L4-Y175 HydrophobicContact CD1-CE1 4.32Å; L4-Y175 HydrophobicContact CD1-CG 3.72Å; L4-Y175 HydrophobicContact CD2-CD1 3.99Å; L4-Y175 HydrophobicContact CD2-CD2 3.77Å; L4-Y175 HydrophobicContact CD2-CE1 4.04Å; L4-Y175 HydrophobicContact CD2-CE2 3.87Å; L4-Y175 HydrophobicContact CD2-CG 3.83Å; L4-Y175 HydrophobicContact CG-CD1 4.33Å; L4-Y175 HydrophobicContact CG-CG 4.42Å
5R97.4Very high96Very high168 Ų16850.2 Ų50.263%0.63425%0.247SC*.EExtended strand (participates in β ladder)trans-130.3126.3176.4-64.3-175.5172.8138.6-0.7108.9E59 Y61R5-E59 WeakPolarHBondContact CA-O 3.32Å; R5-E59 HydrophobicContact CG-CB 4.23Å; R5-E59 WeakPolarHBondContact CG-OE2 3.17Å; R5-E59 IonicContact CZ-OE2 2.73Å; R5-E59 IonicContact NE-OE2 2.6Å; R5-E59 PolarHBondContact NE-OE2 3.42Å; R5-E59 IonicContact NH2-OE2 3.76Å; R5-Y61 HydrophobicContact CB-CD2 4.47Å; R5-Y61 HydrophobicContact CB-CE2 3.98Å; R5-Y61 HydrophobicContact CG-CE2 4Å
6A97.4Very high96.1Very high1 Ų147.2 Ų47.21%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-129137.5179.400000110.5V58 E59 L60 Y61 L84 F171A6-V58 HydrophobicContact CB-CG1 4.13Å; A6-E59 PolarHBondContact N-O 3.44Å; A6-L60 HydrophobicContact CB-CD2 4.16Å; A6-Y61 PolarHBondContact O-N 3.16Å; A6-L84 HydrophobicContact CB-CD1 3.72Å; A6-L84 HydrophobicContact CB-CG 4.31Å; A6-F171 HydrophobicContact CB-CB 4.4Å; A6-F171 HydrophobicContact CB-CD1 3.7Å; A6-F171 HydrophobicContact CB-CD2 3.87Å; A6-F171 HydrophobicContact CB-CE1 3.81Å; A6-F171 HydrophobicContact CB-CE2 4.01Å; A6-F171 HydrophobicContact CB-CG 3.71Å; A6-F171 HydrophobicContact CB-CZ 3.97Å
7R96.9Very high96.1Very high99 Ų9945.2 Ų45.237%0.37423%0.227SC..EExtended strand (participates in β ladder)trans-90.6119.2171-68.7175.167.5132.30.5108.5Y61 L63 W79 S83 L84R7-Y61 WeakPolarHBondContact CA-O 3.41Å; R7-L63 HydrophobicContact CB-CD1 4.12Å; R7-W79 PolarHBondContact NH2-O 3.39Å; R7-S83 PolarHBondContact O-N 3.2Å; R7-L84 PolarHBondContact O-N 3.41Å
8C97.9Very high96.1Very high1 Ų143.2 Ų43.21%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-109120.7177.7-178.70000109.4Y61 I62 L63 L84C8-Y61 PolarHBondContact N-O 2.92Å; C8-I62 HydrophobicContact CB-CG1 4.38Å; C8-I62 CarbonylContact O-C 3.56Å; C8-I62 WeakPolarHBondContact O-CA 3.48Å; C8-L63 PolarHBondContact O-N 3.08Å; C8-L84 WeakPolarHBondContact CA-O 3.38Å; C8-L84 HydrophobicContact CB-CB 4.01Å
9L97.9Very high96Very high1 Ų142.2 Ų42.21%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-86.9124.8175.9-169.261.3000109.6L11 L63 W79 P82 L84 L85 C86 V107L9-L11 HydrophobicContact CD1-CD2 4.08Å; L9-L11 HydrophobicContact CD2-CD1 3.61Å; L9-L11 HydrophobicContact CD2-CD2 4.01Å; L9-L11 HydrophobicContact CD2-CG 3.89Å; L9-L11 HydrophobicContact CG-CD1 4.01Å; L9-L11 HydrophobicContact CG-CD2 3.73Å; L9-L11 HydrophobicContact CG-CG 3.7Å; L9-L63 HydrophobicContact CD1-CB 3.99Å; L9-W79 HydrophobicContact CD1-CB 3.96Å; L9-W79 VanDerWaalsContact CD1-CD1 3.48Å; L9-W79 HydrophobicContact CD1-CD2 4.05Å; L9-W79 HydrophobicContact CD1-CG 3.57Å; L9-W79 HydrophobicContact CD2-CB 4.2Å; L9-W79 HydrophobicContact CD2-CD2 3.65Å; L9-W79 HydrophobicContact CD2-CE3 3.77Å; L9-W79 HydrophobicContact CD2-CG 3.89Å; L9-W79 HydrophobicContact CD2-CZ3 4.35Å; L9-W79 HydrophobicContact CG-CD2 4.46Å; L9-W79 HydrophobicContact CG-CG 4.39Å; L9-P82 HydrophobicContact CB-CB 3.93Å; L9-P82 HydrophobicContact CB-CG 4.47Å; L9-P82 HydrophobicContact CD2-CG 4.36Å; L9-L84 PolarHBondContact N-O 3.44Å; L9-L85 HydrophobicContact CB-CD1 4.5Å; L9-C86 PolarHBondContact O-N 3.4Å; L9-V107 HydrophobicContact CD2-CG2 4.45Å
10L98.1Very high95.9Very high0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-103.9106.4179.5179.768.7000109.8K18 I62 L63 D64 S65 C86 V88L10-K18 HydrophobicContact CD2-CB 3.93Å; L10-K18 WeakPolarHBondContact CD2-O 3.49Å; L10-K18 HydrophobicContact CG-CB 4.04Å; L10-K18 HydrophobicContact CG-CD 4.39Å; L10-K18 HydrophobicContact CG-CG 4.32Å; L10-I62 HydrophobicContact CB-CG2 3.91Å; L10-I62 HydrophobicContact CD2-CG2 4.12Å; L10-L63 WeakPolarHBondContact CB-O 3.48Å; L10-L63 PolarHBondContact N-O 3.45Å; L10-D64 HydrophobicContact CD2-CB 4.07Å; L10-S65 PolarHBondContact O-N 3.41Å; L10-C86 WeakPolarHBondContact CA-O 3.46Å; L10-C86 HydrophobicContact CD1-CB 3.73Å; L10-C86 WeakPolarHBondContact CD1-SG 3.41Å; L10-V88 HydrophobicContact CD1-CG2 3.49Å; L10-V88 VanDerWaalsContact CD1-CG2 3.49Å
11L98.3Very high95.7Very high0 Ų039.9 Ų39.90%021%0.205CC..EExtended strand (participates in β ladder)trans-124.2170.7-172.6-59.3-175.3000112.7L9 K18 W79 L85 C86 L87 V88 W103 V107L9-L11 HydrophobicContact CD1-CD2 4.08Å; L9-L11 HydrophobicContact CD2-CD1 3.61Å; L9-L11 HydrophobicContact CD2-CD2 4.01Å; L9-L11 HydrophobicContact CD2-CG 3.89Å; L9-L11 HydrophobicContact CG-CD1 4.01Å; L9-L11 HydrophobicContact CG-CD2 3.73Å; L9-L11 HydrophobicContact CG-CG 3.7Å; L11-K18 WeakPolarHBondContact O-CD 3.46Å; L11-W79 HydrophobicContact CD1-CH2 4.08Å; L11-W79 HydrophobicContact CD1-CZ2 4.28Å; L11-W79 HydrophobicContact CD1-CZ3 4.48Å; L11-W79 HydrophobicContact CD2-CH2 4.24Å; L11-W79 HydrophobicContact CD2-CZ2 3.61Å; L11-L85 HydrophobicContact CB-CD1 4.48Å; L11-L85 HydrophobicContact CD1-CD1 4.07Å; L11-L85 HydrophobicContact CG-CD1 4.24Å; L11-C86 PolarHBondContact N-O 3.31Å; L11-L87 HydrophobicContact CB-CD1 4.06Å; L11-V88 PolarHBondContact O-N 2.85Å; L11-W103 HydrophobicContact CB-CD2 4.35Å; L11-W103 HydrophobicContact CB-CE3 3.93Å; L11-W103 HydrophobicContact CB-CZ3 4.23Å; L11-W103 HydrophobicContact CD1-CE3 3.86Å; L11-W103 HydrophobicContact CD1-CZ3 4.22Å; L11-W103 HydrophobicContact CD2-CE3 4.44Å; L11-W103 HydrophobicContact CD2-CZ3 4.04Å; L11-W103 HydrophobicContact CG-CE3 4.3Å; L11-W103 HydrophobicContact CG-CZ3 4.39Å; L11-V107 HydrophobicContact CD1-CG2 3.36Å
12G98.3Very high96.1Very high0 Ų030.8 Ų30.80%016%0.16CC..  trans133.9167.8-175.400000111.1K18 G67 V88 W103G12-K18 WeakPolarHBondContact O-CE 3.47Å; G12-K18 PolarHBondContact O-NZ 3.32Å; G12-G67 WeakPolarHBondContact O-CA 3.28Å; G12-V88 WeakPolarHBondContact CA-O 3.49Å; G12-W103 VanDerWaalsContact O-CZ2 3.26Å; G12-W103 WeakPolarHBondContact O-CZ2 3.45Å
13D98.1Very high95.9Very high31 Ų3131.1 Ų31.117%0.16616%0.159CC..  trans-60.5164.6-175.4-76.58000113.3V16 K18 N99 W103D13-V16 HydrophobicContact CB-CG1 3.78Å; D13-V16 VanDerWaalsContact O-CG2 3.25Å; D13-V16 WeakPolarHBondContact O-CG2 3.29Å; D13-K18 PolarHBondContact O-NZ 3.42Å; D13-N99 PolarHBondContact OD2-ND2 2.86Å; D13-W103 PolarHBondContact OD1-NE1 3.49Å
14A95.8Very high95.4Very high40 Ų4026.1 Ų26.133%0.33114%0.138SC..THydrogen-bonded Turntrans-58.1145.7169.200000110.6V16 G67 K68A14-V16 PolarHBondContact O-N 3.05Å; A14-V16 VanDerWaalsContact O-N 3.12Å; A14-G67 PolarHBondContact N-O 3.29Å; A14-K68 HydrophobicContact CB-CB 4.28Å
15A95.4Very high94.6Very high53 Ų5325.5 Ų25.544%0.43814%0.135SC..THydrogen-bonded Turntrans64.37.2175.500000117.4G17 Y36 K124A15-G17 PolarHBondContact O-N 3.43Å; A15-Y36 HydrophobicContact CB-CE2 3.98Å; A15-K124 WeakPolarHBondContact O-CE 3.5Å; A15-K124 PolarHBondContact O-NZ 2.73Å
16V97.8Very high93.5Very high2 Ų224.4 Ų24.41%0.01213%0.131CC..SBendtrans-71.5-15.6171.7-55.30000113.5D13 A14 K18 V88 D90 N123D13-V16 HydrophobicContact CB-CG1 3.78Å; D13-V16 VanDerWaalsContact O-CG2 3.25Å; D13-V16 WeakPolarHBondContact O-CG2 3.29Å; A14-V16 PolarHBondContact O-N 3.05Å; A14-V16 VanDerWaalsContact O-N 3.12Å; V16-K18 HydrophobicContact CG2-CD 4.39Å; V16-K18 HydrophobicContact CG2-CG 3.71Å; V16-V88 HydrophobicContact CB-CG1 4.4Å; V16-V88 HydrophobicContact CG2-CB 3.99Å; V16-V88 HydrophobicContact CG2-CG1 3.87Å; V16-D90 HydrophobicContact CB-CB 4.29Å; V16-D90 HydrophobicContact CG1-CB 4.22Å; V16-N123 PolarHBondContact O-ND2 3.48Å
17G95.9Very high92.1Very high13 Ų1326.5 Ų26.513%0.13414%0.143CC..SBendtrans103.222.5174.500000115.8A15 C20 L21A15-G17 PolarHBondContact O-N 3.43Å; G17-C20 WeakPolarHBondContact O-CB 3.3Å; G17-C20 PolarHBondContact O-N 3.36Å; G17-L21 WeakPolarHBondContact O-CG 3.46Å; G17-L21 PolarHBondContact O-N 2.9Å
18K96.4Very high90.6Very high9 Ų928.2 Ų28.24%0.03916%0.159CC..Hα-helixtrans-51.7-55.5174.8-59.7-171.9-56.2-71.50112.9L10 L11 G12 D13 V16 C20 L21 S22 D64 S65 V88L10-K18 HydrophobicContact CD2-CB 3.93Å; L10-K18 WeakPolarHBondContact CD2-O 3.49Å; L10-K18 HydrophobicContact CG-CB 4.04Å; L10-K18 HydrophobicContact CG-CD 4.39Å; L10-K18 HydrophobicContact CG-CG 4.32Å; L11-K18 WeakPolarHBondContact O-CD 3.46Å; G12-K18 WeakPolarHBondContact O-CE 3.47Å; G12-K18 PolarHBondContact O-NZ 3.32Å; D13-K18 PolarHBondContact O-NZ 3.42Å; V16-K18 HydrophobicContact CG2-CD 4.39Å; V16-K18 HydrophobicContact CG2-CG 3.71Å; K18-C20 VanDerWaalsContact C-N 3.29Å; K18-C20 PolarHBondContact O-N 3.06Å; K18-L21 WeakPolarHBondContact O-CB 3.48Å; K18-L21 PolarHBondContact O-N 3.05Å; K18-L21 VanDerWaalsContact O-N 3.1Å; K18-S22 PolarHBondContact O-N 3.31Å; K18-D64 WeakPolarHBondContact CB-OD1 3.42Å; K18-S65 WeakPolarHBondContact CE-O 3.45Å; K18-V88 HydrophobicContact CG-CB 4.06Å; K18-V88 HydrophobicContact CG-CG2 4.14Å
19S94Very high88.6Confident24 Ų2429.4 Ų29.417%0.16817%0.172CC..Hα-helixtrans-64.5-33.5179.7-47.80000112.9S22 H23 T39 D64S19-S22 WeakPolarHBondContact CA-OG 3.3Å; S19-S22 PolarHBondContact O-OG 3Å; S19-S22 VanDerWaalsContact O-OG 3.06Å; S19-H23 WeakPolarHBondContact O-CB 3.42Å; S19-H23 PolarHBondContact O-CD2 2.95Å; S19-H23 VanDerWaalsContact O-CG 3.24Å; S19-H23 PolarHBondContact O-N 3.24Å; S19-T39 PolarHBondContact OG-OG1 2.99Å; S19-D64 WeakPolarHBondContact CA-OD2 3.31Å; S19-D64 WeakPolarHBondContact CB-OD2 3.44Å; S19-D64 PolarHBondContact OG-OD2 3.35Å
20C92.8Very high86.5Confident36 Ų3633.2 Ų33.224%0.24320%0.198CC..Hα-helixtrans-63.4-44.2173.2-59.70000111.3G17 K18 I24 F32 A154G17-C20 WeakPolarHBondContact O-CB 3.3Å; G17-C20 PolarHBondContact O-N 3.36Å; K18-C20 VanDerWaalsContact C-N 3.29Å; K18-C20 PolarHBondContact O-N 3.06Å; C20-I24 WeakPolarHBondContact O-CD1 3.23Å; C20-I24 VanDerWaalsContact O-CG1 3.26Å; C20-I24 WeakPolarHBondContact O-CG1 3.47Å; C20-I24 PolarHBondContact O-N 3.02Å; C20-I24 VanDerWaalsContact O-N 3.15Å; C20-F32 HydrophobicContact CB-CD2 4.42Å; C20-F32 HydrophobicContact CB-CE2 3.8Å; C20-A154 HydrophobicContact CB-CB 3.75Å
21L92.9Very high84.6Confident1 Ų138.6 Ų38.61%0.00523%0.226CC..Hα-helixtrans-64.1-49.7176.1-72.6169.7000111.4G17 K18 H23 I24 F25 V88 V121 N123 A154G17-L21 WeakPolarHBondContact O-CG 3.46Å; G17-L21 PolarHBondContact O-N 2.9Å; K18-L21 WeakPolarHBondContact O-CB 3.48Å; K18-L21 PolarHBondContact O-N 3.05Å; K18-L21 VanDerWaalsContact O-N 3.1Å; L21-H23 VanDerWaalsContact C-N 3.27Å; L21-H23 PolarHBondContact O-N 3.21Å; L21-I24 PolarHBondContact O-N 3.14Å; L21-I24 VanDerWaalsContact O-N 3.09Å; L21-F25 HydrophobicContact CB-CE1 4.36Å; L21-F25 HydrophobicContact CB-CE2 4.08Å; L21-F25 HydrophobicContact CB-CZ 3.83Å; L21-F25 HydrophobicContact CD2-CE1 4.4Å; L21-F25 HydrophobicContact CD2-CZ 4.31Å; L21-F25 WeakPolarHBondContact O-CD1 3.49Å; L21-F25 WeakPolarHBondContact O-CD2 3.47Å; L21-F25 WeakPolarHBondContact O-CG 3.44Å; L21-F25 PolarHBondContact O-N 3.43Å; L21-V88 HydrophobicContact CD1-CG1 3.86Å; L21-V88 HydrophobicContact CD1-CG2 4.13Å; L21-V121 HydrophobicContact CD1-CG1 4.09Å; L21-N123 HydrophobicContact CD1-CB 4.32Å; L21-A154 HydrophobicContact CD2-CB 3.92Å; L21-A154 HydrophobicContact CG-CB 4.17Å
22S91.4Very high82.9Confident0 Ų041.8 Ų41.80%024%0.24CC..Hα-helixtrans-59.9-36.7179.968.40000112.5K18 S19 F25 Y26K18-S22 PolarHBondContact O-N 3.31Å; S19-S22 WeakPolarHBondContact CA-OG 3.3Å; S19-S22 PolarHBondContact O-OG 3Å; S19-S22 VanDerWaalsContact O-OG 3.06Å; S22-F25 PolarHBondContact O-N 3.36Å; S22-Y26 PolarHBondContact O-N 3.22Å
23H87.8Confident81.3Confident41 Ų4146.8 Ų46.819%0.1926%0.264CS..Hα-helixtrans-68.1-38.1174.2-74.9-45.8000113.6S19 L21 F25 Y26 N27S19-H23 WeakPolarHBondContact O-CB 3.42Å; S19-H23 PolarHBondContact O-CD2 2.95Å; S19-H23 VanDerWaalsContact O-CG 3.24Å; S19-H23 PolarHBondContact O-N 3.24Å; L21-H23 VanDerWaalsContact C-N 3.27Å; L21-H23 PolarHBondContact O-N 3.21Å; H23-F25 VanDerWaalsContact C-N 3.31Å; H23-Y26 PolarHBondContact O-N 2.97Å; H23-N27 WeakPolarHBondContact O-CB 3.39Å; H23-N27 PolarHBondContact O-N 3.38Å; H23-N27 PolarHBondContact O-ND2 3.19Å
24I85.6Confident79.6Confident10 Ų1054.3 Ų54.35%0.05130%0.295CS..Hα-helixtrans-64.3-41.4176-69.9160.6000110.2C20 L21 Y26 N27 G29 F32 A154 M157 C160C20-I24 WeakPolarHBondContact O-CD1 3.23Å; C20-I24 VanDerWaalsContact O-CG1 3.26Å; C20-I24 WeakPolarHBondContact O-CG1 3.47Å; C20-I24 PolarHBondContact O-N 3.02Å; C20-I24 VanDerWaalsContact O-N 3.15Å; L21-I24 PolarHBondContact O-N 3.14Å; L21-I24 VanDerWaalsContact O-N 3.09Å; I24-Y26 PolarHBondContact O-N 3.09Å; I24-N27 PolarHBondContact O-N 3.06Å; I24-G29 PolarHBondContact O-N 3.23Å; I24-F32 HydrophobicContact CD1-CD2 4.43Å; I24-A154 HydrophobicContact CD1-CB 3.52Å; I24-A154 WeakPolarHBondContact CD1-O 3.07Å; I24-M157 HydrophobicContact CD1-CG 4.43Å; I24-C160 HydrophobicContact CG2-CB 4.06Å
25F80.9Confident78.4Confident5 Ų559.1 Ų59.12%0.02232%0.315CS..Hα-helixtrans-58.7-39.1177.6-56.1-21.1000111.7L21 S22 H23 K47 I62 C160 L164L21-F25 HydrophobicContact CB-CE1 4.36Å; L21-F25 HydrophobicContact CB-CE2 4.08Å; L21-F25 HydrophobicContact CB-CZ 3.83Å; L21-F25 HydrophobicContact CD2-CE1 4.4Å; L21-F25 HydrophobicContact CD2-CZ 4.31Å; L21-F25 WeakPolarHBondContact O-CD1 3.49Å; L21-F25 WeakPolarHBondContact O-CD2 3.47Å; L21-F25 WeakPolarHBondContact O-CG 3.44Å; L21-F25 PolarHBondContact O-N 3.43Å; S22-F25 PolarHBondContact O-N 3.36Å; H23-F25 VanDerWaalsContact C-N 3.31Å; F25-K47 VanDerWaalsContact O-CD 3.32Å; F25-K47 WeakPolarHBondContact O-CD 3.5Å; F25-K47 WeakPolarHBondContact O-CE 3.38Å; F25-K47 PolarHBondContact O-NZ 3Å; F25-I62 HydrophobicContact CB-CD1 4.48Å; F25-I62 HydrophobicContact CD2-CD1 3.65Å; F25-I62 HydrophobicContact CE2-CD1 4.34Å; F25-I62 HydrophobicContact CG-CD1 4.47Å; F25-C160 HydrophobicContact CE1-CB 4.16Å; F25-C160 WeakPolarHBondContact CE1-O 3.32Å; F25-L164 HydrophobicContact CB-CD1 3.9Å; F25-L164 HydrophobicContact CD1-CD1 3.55Å; F25-L164 HydrophobicContact CD1-CD2 4.38Å; F25-L164 HydrophobicContact CD1-CG 4.04Å; F25-L164 HydrophobicContact CD2-CD1 4.25Å; F25-L164 HydrophobicContact CD2-CD2 3.73Å; F25-L164 HydrophobicContact CD2-CG 4.29Å; F25-L164 HydrophobicContact CE1-CD1 4.1Å; F25-L164 HydrophobicContact CE1-CD2 4.47Å; F25-L164 HydrophobicContact CE1-CG 4.1Å; F25-L164 HydrophobicContact CE2-CD2 3.82Å; F25-L164 HydrophobicContact CE2-CG 4.33Å; F25-L164 HydrophobicContact CG-CD1 3.65Å; F25-L164 HydrophobicContact CG-CD2 4.02Å; F25-L164 HydrophobicContact CG-CG 4.14Å; F25-L164 HydrophobicContact CZ-CD2 4.2Å; F25-L164 HydrophobicContact CZ-CG 4.23Å
26Y73.3Confident77.2Confident145 Ų14563.6 Ų63.657%0.56932%0.322SS*.Hα-helixtrans-75.1-46.3179.1-175.6-107000114S22 H23 I24 D28 V45S22-Y26 PolarHBondContact O-N 3.22Å; H23-Y26 PolarHBondContact O-N 2.97Å; I24-Y26 PolarHBondContact O-N 3.09Å; Y26-D28 VanDerWaalsContact C-N 3.33Å; Y26-D28 PolarHBondContact O-N 2.99Å; Y26-V45 HydrophobicContact CD2-CG1 4.01Å; Y26-V45 HydrophobicContact CG-CG1 4.24Å
27N69.8Low76.2Confident46 Ų4667.8 Ų67.825%0.24635%0.351CS..THydrogen-bonded Turntrans-89.815.6-166.6-78.5-42.9000114.8H23 I24 G29 S30H23-N27 WeakPolarHBondContact O-CB 3.39Å; H23-N27 PolarHBondContact O-N 3.38Å; H23-N27 PolarHBondContact O-ND2 3.19Å; I24-N27 PolarHBondContact O-N 3.06Å; N27-G29 PolarHBondContact O-N 3.24Å; N27-G29 VanDerWaalsContact O-N 3.08Å; N27-S30 WeakPolarHBondContact O-CB 3.46Å; N27-S30 PolarHBondContact O-N 2.96Å; N27-S30 PolarHBondContact O-OG 2.86Å
28D64Low75.6Confident135 Ų13569.9 Ų69.972%0.72236%0.359SS*.THydrogen-bonded Turntrans4639.5-173.4-67.6-26.2000112.4Y26 S30 K47Y26-D28 VanDerWaalsContact C-N 3.33Å; Y26-D28 PolarHBondContact O-N 2.99Å; D28-S30 VanDerWaalsContact C-N 3.34Å; D28-S30 PolarHBondContact O-N 3.01Å; D28-K47 IonicContact OD1-NZ 3.7Å; D28-K47 PolarHBondContact OD1-NZ 3.28Å
29G57.2Low75Confident26 Ų2670.5 Ų70.527%0.26836%0.363SS..THydrogen-bonded Turntrans7118.1-179.600000115.7I24 N27 M157I24-G29 PolarHBondContact O-N 3.23Å; N27-G29 PolarHBondContact O-N 3.24Å; N27-G29 VanDerWaalsContact O-N 3.08Å; G29-M157 WeakPolarHBondContact O-CE 3.46Å
30S52.7Low74.6Confident80 Ų8074.2 Ų74.256%0.55939%0.385SS*.  trans-82.8-22.2-177.5600000115N27 D28N27-S30 WeakPolarHBondContact O-CB 3.46Å; N27-S30 PolarHBondContact O-N 2.96Å; N27-S30 PolarHBondContact O-OG 2.86Å; D28-S30 VanDerWaalsContact C-N 3.34Å; D28-S30 PolarHBondContact O-N 3.01Å
31L58.3Low74.5Confident113 Ų11373.5 Ų73.559%0.59238%0.384SS*.  trans-147.1111.3-171.9-66.8171.6000113.4
32F62.2Low74.5Confident67 Ų6775.1 Ų75.129%0.29439%0.394SS..  trans-93.2123.2163.4-179-95.7000110.1C20 I24 K34 A154 K155 M157C20-F32 HydrophobicContact CB-CD2 4.42Å; C20-F32 HydrophobicContact CB-CE2 3.8Å; I24-F32 HydrophobicContact CD1-CD2 4.43Å; F32-K34 HydrophobicContact CD1-CG 4.26Å; F32-K34 PolarHBondContact O-N 3.19Å; F32-A154 HydrophobicContact CD2-CB 4.47Å; F32-A154 WeakPolarHBondContact CD2-O 3.3Å; F32-A154 HydrophobicContact CE2-CB 4Å; F32-K155 HydrophobicContact CE2-CB 4.24Å; F32-K155 HydrophobicContact CZ-CB 4.12Å; F32-M157 HydrophobicContact CB-CE 4.32Å
33Q65.8Low74.5Confident106 Ų10679.7 Ų79.750%0.49542%0.415SS..  trans-78115.3175.2-68.7-175.49.200110.5
34K61.6Low74.7Confident188 Ų18883 Ų8382%0.81743%0.434SS*.  trans-75.9-21.8179.8-68.6-176179.3179.40114.1F32F32-K34 HydrophobicContact CD1-CG 4.26Å; F32-K34 PolarHBondContact O-N 3.19Å
35N70.9Confident75.1Confident142 Ų14283.2 Ų83.276%0.75944%0.435SS*.SBendtrans-92.7126.1-179.4-67.2-19000109.7S37N35-S37 PolarHBondContact O-N 2.81Å
36Y70.1Confident75.6Confident147 Ų14786.9 Ų86.958%0.57645%0.454SS*.  trans-68.8124.5172.5175.9-105000110.2A15 L38A15-Y36 HydrophobicContact CB-CE2 3.98Å; Y36-L38 HydrophobicContact CE1-CB 4.21Å; Y36-L38 VanDerWaalsContact OH-CD1 3.29Å; Y36-L38 WeakPolarHBondContact OH-CD1 3.38Å
37S77.6Confident76.6Confident89 Ų8981.6 Ų81.662%0.62243%0.434SS*.  trans-116133.3165.5-171.80000108.6N35 T39N35-S37 PolarHBondContact O-N 2.81Å; S37-T39 PolarHBondContact O-N 3.46Å
38L82.9Confident77.8Confident58 Ų5882 Ų8230%0.30444%0.439SS..  trans-76.1116.5176.3174.666.4000109.3Y36 T40 K68 L71Y36-L38 HydrophobicContact CE1-CB 4.21Å; Y36-L38 VanDerWaalsContact OH-CD1 3.29Å; Y36-L38 WeakPolarHBondContact OH-CD1 3.38Å; L38-T40 PolarHBondContact O-N 3.41Å; L38-K68 HydrophobicContact CD1-CB 4.09Å; L38-K68 HydrophobicContact CD1-CD 4.25Å; L38-K68 HydrophobicContact CD2-CD 3.86Å; L38-L71 HydrophobicContact CD2-CD1 4.35Å
39T82.6Confident79.3Confident21 Ų2176.6 Ų76.613%0.12941%0.41CS..  trans-65.1117.6170.9-38.10000109.6S19 S37 A66S19-T39 PolarHBondContact OG-OG1 2.99Å; S37-T39 PolarHBondContact O-N 3.46Å; T39-A66 WeakPolarHBondContact O-CB 3.35Å
40T86.9Confident81.2Confident102 Ų10281.2 Ų81.263%0.62643%0.429SS*.  trans-101-13.2-177.3540000114.5L38 L71L38-T40 PolarHBondContact O-N 3.41Å; T40-L71 HydrophobicContact CG2-CD1 4.15Å
41G90.4Very high83.3Confident21 Ų2177.8 Ų77.822%0.21640%0.404CS..SBendtrans-136.2-145.4-178.600000112.3A66G41-A66 PolarHBondContact O-N 3.26Å
42V92.3Very high85.1Confident35 Ų3575.3 Ų75.321%0.21240%0.395CS..EExtended strand (participates in β ladder)trans-119.5124.1173.9175.90000108.9L63 D64 C75 M78V42-L63 HydrophobicContact CG1-CB 3.92Å; V42-L63 HydrophobicContact CG1-CD2 3.93Å; V42-L63 HydrophobicContact CG1-CG 4.5Å; V42-D64 CarbonylContact C-O 3.54Å; V42-D64 VanDerWaalsContact CA-O 3.27Å; V42-D64 WeakPolarHBondContact CA-O 3.33Å; V42-C75 HydrophobicContact CG2-CB 3.8Å; V42-M78 HydrophobicContact CB-CB 4.22Å; V42-M78 HydrophobicContact CB-CE 4.1Å; V42-M78 HydrophobicContact CB-SD 4.45Å; V42-M78 HydrophobicContact CG2-CB 3.99Å; V42-M78 HydrophobicContact CG2-CE 3.8Å
43E92.8Very high86.6Confident96 Ų9682 Ų8245%0.44943%0.427SS..EExtended strand (participates in β ladder)trans-104.5137.9174.2-66-171.4177.900110.2L63 D64E43-L63 CarbonylContact O-C 3.55Å; E43-L63 WeakPolarHBondContact O-CA 3.44Å; E43-D64 HydrophobicContact CB-CB 4.46Å; E43-D64 PolarHBondContact N-O 3.41Å; E43-D64 PolarHBondContact O-N 3.42Å
44L91.9Very high87.9Confident111 Ų11179.5 Ų79.558%0.58142%0.419SS*.EExtended strand (participates in β ladder)trans-104.5122.3179.3177.264.3000110.2Y61 I62 L63L44-Y61 HydrophobicContact CD1-CD1 4.22Å; L44-Y61 HydrophobicContact CD2-CD1 4.33Å; L44-I62 WeakPolarHBondContact CA-O 3.43Å; L44-L63 HydrophobicContact CD1-CG 4.25Å
45V92.6Very high89.5Confident14 Ų1477 Ų779%0.08542%0.415CS..EExtended strand (participates in β ladder)trans-115.1144.3170.7172.50000108.9Y26 Y61 I62Y26-V45 HydrophobicContact CD2-CG1 4.01Å; Y26-V45 HydrophobicContact CG-CG1 4.24Å; V45-Y61 CarbonylContact O-C 3.55Å; V45-I62 HydrophobicContact CB-CB 4.49Å; V45-I62 PolarHBondContact N-O 3.09Å; V45-I62 PolarHBondContact O-N 2.89Å
46M92.6Very high90.8Very high82 Ų8271.1 Ų71.140%0.40438%0.383SS..EExtended strand (participates in β ladder)trans-118134174.1-174.7-79.4-65.700110.4E59 L60 Y61M46-E59 HydrophobicContact SD-CB 4.5Å; M46-E59 HydrophobicContact SD-CG 4.41Å; M46-L60 VanDerWaalsContact CA-O 3.3Å; M46-L60 WeakPolarHBondContact CA-O 3.46Å; M46-Y61 HydrophobicContact CB-CD1 4.37Å; M46-Y61 HydrophobicContact CB-CE1 4.44Å; M46-Y61 HydrophobicContact CG-CD1 4.23Å; M46-Y61 HydrophobicContact CG-CE1 4.03Å
47K93Very high92.1Very high35 Ų3564.8 Ų64.815%0.15236%0.36CS..EExtended strand (participates in β ladder)trans-134.4131.3171.7-175.663.8164-145.40110.4F25 D28 I49 L60 L164F25-K47 VanDerWaalsContact O-CD 3.32Å; F25-K47 WeakPolarHBondContact O-CD 3.5Å; F25-K47 WeakPolarHBondContact O-CE 3.38Å; F25-K47 PolarHBondContact O-NZ 3Å; D28-K47 IonicContact OD1-NZ 3.7Å; D28-K47 PolarHBondContact OD1-NZ 3.28Å; K47-I49 HydrophobicContact CG-CD1 3.63Å; K47-I49 HydrophobicContact CG-CG1 4.34Å; K47-L60 PolarHBondContact N-O 2.9Å; K47-L60 PolarHBondContact O-N 3Å; K47-L164 HydrophobicContact CG-CD1 4.28Å
48C94.8Very high93.1Very high53 Ų5360.6 Ų60.636%0.35833%0.331SS..EExtended strand (participates in β ladder)trans-92.9123173.4-169.40000109.6E59C48-E59 HydrophobicContact CB-CG 4.44Å
49I95.9Very high93.8Very high23 Ų2358.5 Ų58.512%0.11832%0.32CS..EExtended strand (participates in β ladder)trans-113.2126.4178.4-54.4-61.5000108.9K47 S57 V58 L60 L164 L165 A168K47-I49 HydrophobicContact CG-CD1 3.63Å; K47-I49 HydrophobicContact CG-CG1 4.34Å; I49-S57 CarbonylContact O-C 3.32Å; I49-S57 VanDerWaalsContact O-CA 3.29Å; I49-S57 WeakPolarHBondContact O-CA 3.36Å; I49-S57 WeakPolarHBondContact O-CB 3.15Å; I49-V58 PolarHBondContact N-O 3.46Å; I49-V58 PolarHBondContact O-N 3.49Å; I49-L60 HydrophobicContact CG1-CD1 3.9Å; I49-L60 HydrophobicContact CG1-CG 4.43Å; I49-L164 HydrophobicContact CD1-CB 3.99Å; I49-L164 HydrophobicContact CD1-CD1 4.24Å; I49-L164 HydrophobicContact CG1-CB 4.33Å; I49-L165 HydrophobicContact CG2-CD1 4.12Å; I49-A168 HydrophobicContact CB-CB 3.78Å; I49-A168 HydrophobicContact CG1-CB 4.33Å; I49-A168 HydrophobicContact CG2-CB 3.67Å
50N96.5Very high94.5Very high122 Ų12257.5 Ų57.565%0.65231%0.314SS*.EExtended strand (participates in β ladder)trans-80.3136.3173.5-65-28.2000109.4P52N50-P52 WeakPolarHBondContact O-CD 3.05Å
51I97.6Very high94.9Very high9 Ų955.9 Ų55.95%0.04630%0.296CS..PPolyproline II helixtrans-81.6121176.5-60-58000108.7T54 D56 V58 A168 Q169 Y172I51-T54 WeakPolarHBondContact CB-OG1 3.25Å; I51-T54 HydrophobicContact CG2-CG2 4.02Å; I51-T54 PolarHBondContact O-N 2.66Å; I51-T54 PolarHBondContact O-OG1 3.15Å; I51-D56 PolarHBondContact N-O 2.98Å; I51-V58 HydrophobicContact CD1-CG2 3.9Å; I51-V58 HydrophobicContact CG1-CG2 4.23Å; I51-A168 HydrophobicContact CD1-CB 3.92Å; I51-Q169 HydrophobicContact CD1-CG 4.49Å; I51-Y172 HydrophobicContact CD1-CG 4.27Å; I51-Y172 HydrophobicContact CG1-CD1 4.46Å; I51-Y172 HydrophobicContact CG1-CD2 4.01Å; I51-Y172 HydrophobicContact CG1-CG 3.95Å; I51-Y172 HydrophobicContact CG2-CD1 3.89Å; I51-Y172 HydrophobicContact CG2-CE1 3.97Å; I51-Y172 HydrophobicContact CG2-CG 4.24Å
52P95.3Very high95.2Very high61 Ų6155 Ų5540%0.39629%0.287SS..THydrogen-bonded Turntrans-52.9145.9-179.5-27.235000112.5N50 T54 L165N50-P52 WeakPolarHBondContact O-CD 3.05Å; P52-T54 PolarHBondContact O-N 3.12Å; P52-L165 HydrophobicContact CG-CD1 3.96Å
53E93.8Very high95.4Very high208 Ų20853.9 Ų53.997%0.97228%0.279SS*.THydrogen-bonded Turntrans639.5176.8-52.5177.5-17600115
54T94.6Very high95.5Very high52 Ų5249.3 Ų49.332%0.31926%0.258SS..SBendtrans-129.8170.9176.178.20000111.1I51 P52 D56I51-T54 WeakPolarHBondContact CB-OG1 3.25Å; I51-T54 HydrophobicContact CG2-CG2 4.02Å; I51-T54 PolarHBondContact O-N 2.66Å; I51-T54 PolarHBondContact O-OG1 3.15Å; P52-T54 PolarHBondContact O-N 3.12Å; T54-D56 VanDerWaalsContact C-N 3.33Å; T54-D56 PolarHBondContact OG1-N 3.36Å; T54-D56 VanDerWaalsContact OG1-N 3.08Å
55N95.4Very high95.7Very high137 Ų13744 Ų4473%0.73323%0.23SC*.SBendtrans-97.518.8167.5-67.3-50.1000111.7M1M1-N55 WeakPolarHBondContact CA-O 3.43Å; M1-N55 HydrophobicContact CB-CB 4.34Å; M1-N55 WeakPolarHBondContact CB-O 3.29Å; M1-N55 WeakPolarHBondContact CG-O 3.46Å
56D97.6Very high95.7Very high18 Ų1843.4 Ų43.410%0.09623%0.226CC..  trans-103158.3-175.1-66.9-6.1000110.7M1 V2 I51 T54 Y172M1-D56 WeakPolarHBondContact CA-OD1 3.44Å; M1-D56 PolarHBondContact N-OD1 3.42Å; V2-D56 PolarHBondContact N-OD1 3.25Å; V2-D56 WeakPolarHBondContact O-CA 3.49Å; I51-D56 PolarHBondContact N-O 2.98Å; T54-D56 VanDerWaalsContact C-N 3.33Å; T54-D56 PolarHBondContact OG1-N 3.36Å; T54-D56 VanDerWaalsContact OG1-N 3.08Å; D56-Y172 HydrophobicContact CB-CD2 4.45Å; D56-Y172 HydrophobicContact CB-CE2 3.66Å; D56-Y172 WeakPolarHBondContact OD2-CE2 3.38Å; D56-Y172 PolarHBondContact OD2-OH 2.82Å
57S97.6Very high95.6Very high14 Ų1439.9 Ų39.910%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-145.7155.7-176.657.20000112.2V2 L4 I49V2-S57 PolarHBondContact O-N 3.39Å; L4-S57 PolarHBondContact N-O 3.15Å; I49-S57 CarbonylContact O-C 3.32Å; I49-S57 VanDerWaalsContact O-CA 3.29Å; I49-S57 WeakPolarHBondContact O-CA 3.36Å; I49-S57 WeakPolarHBondContact O-CB 3.15Å
58V98.2Very high95.5Very high0 Ų042.4 Ų42.40%022%0.222CC..EExtended strand (participates in β ladder)trans-122.3120.7176-175.90000109.3L4 A6 I49 I51 L60 A168 F171L4-V58 HydrophobicContact CB-CG2 4.17Å; L4-V58 HydrophobicContact CD1-CG2 4.32Å; A6-V58 HydrophobicContact CB-CG1 4.13Å; I49-V58 PolarHBondContact N-O 3.46Å; I49-V58 PolarHBondContact O-N 3.49Å; I51-V58 HydrophobicContact CD1-CG2 3.9Å; I51-V58 HydrophobicContact CG1-CG2 4.23Å; V58-L60 HydrophobicContact CG1-CD2 3.82Å; V58-L60 HydrophobicContact CG1-CG 4.34Å; V58-L60 PolarHBondContact O-N 3.41Å; V58-A168 HydrophobicContact CB-CB 3.98Å; V58-A168 HydrophobicContact CG2-CB 4.16Å; V58-F171 HydrophobicContact CG1-CD1 4.08Å
59E97.4Very high95.1Very high15 Ų1548.2 Ų48.27%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-82.1108.7164.9-67.4-177.4143.300109K3 L4 R5 A6 M46 C48 Y61K3-E59 WeakPolarHBondContact CE-OE1 2.94Å; K3-E59 WeakPolarHBondContact CE-OE2 3.36Å; K3-E59 IonicContact NZ-OE1 2.62Å; K3-E59 PolarHBondContact NZ-OE1 2.95Å; K3-E59 IonicContact NZ-OE2 3.16Å; L4-E59 PolarHBondContact O-N 3.23Å; R5-E59 WeakPolarHBondContact CA-O 3.32Å; R5-E59 HydrophobicContact CG-CB 4.23Å; R5-E59 WeakPolarHBondContact CG-OE2 3.17Å; R5-E59 IonicContact CZ-OE2 2.73Å; R5-E59 IonicContact NE-OE2 2.6Å; R5-E59 PolarHBondContact NE-OE2 3.42Å; R5-E59 IonicContact NH2-OE2 3.76Å; A6-E59 PolarHBondContact N-O 3.44Å; M46-E59 HydrophobicContact SD-CB 4.5Å; M46-E59 HydrophobicContact SD-CG 4.41Å; C48-E59 HydrophobicContact CB-CG 4.44Å; E59-Y61 HydrophobicContact CB-CD2 4.47Å; E59-Y61 HydrophobicContact CB-CE2 3.92Å
60L97.3Very high94.9Very high0 Ų054.9 Ų54.90%028%0.277CS..EExtended strand (participates in β ladder)trans-85.3115.6172.8-63177.8000109.3A6 M46 K47 I49 V58 I62 L84 L164 L167A6-L60 HydrophobicContact CB-CD2 4.16Å; M46-L60 VanDerWaalsContact CA-O 3.3Å; M46-L60 WeakPolarHBondContact CA-O 3.46Å; K47-L60 PolarHBondContact N-O 2.9Å; K47-L60 PolarHBondContact O-N 3Å; I49-L60 HydrophobicContact CG1-CD1 3.9Å; I49-L60 HydrophobicContact CG1-CG 4.43Å; V58-L60 HydrophobicContact CG1-CD2 3.82Å; V58-L60 HydrophobicContact CG1-CG 4.34Å; V58-L60 PolarHBondContact O-N 3.41Å; L60-I62 HydrophobicContact CB-CG1 4.17Å; L60-L84 HydrophobicContact CD2-CD1 3.59Å; L60-L164 HydrophobicContact CD1-CB 4.32Å; L60-L164 HydrophobicContact CD1-CD2 3.98Å; L60-L167 HydrophobicContact CD1-CB 4.19Å; L60-L167 HydrophobicContact CD2-CB 4.47Å
61Y96.3Very high94.6Very high68 Ų6851.4 Ų51.427%0.26726%0.258SS..EExtended strand (participates in β ladder)trans-93.694.5169.6-70.6-91000108.1R5 A6 R7 C8 L44 V45 M46 E59R5-Y61 HydrophobicContact CB-CD2 4.47Å; R5-Y61 HydrophobicContact CB-CE2 3.98Å; R5-Y61 HydrophobicContact CG-CE2 4Å; A6-Y61 PolarHBondContact O-N 3.16Å; R7-Y61 WeakPolarHBondContact CA-O 3.41Å; C8-Y61 PolarHBondContact N-O 2.92Å; L44-Y61 HydrophobicContact CD1-CD1 4.22Å; L44-Y61 HydrophobicContact CD2-CD1 4.33Å; V45-Y61 CarbonylContact O-C 3.55Å; M46-Y61 HydrophobicContact CB-CD1 4.37Å; M46-Y61 HydrophobicContact CB-CE1 4.44Å; M46-Y61 HydrophobicContact CG-CD1 4.23Å; M46-Y61 HydrophobicContact CG-CE1 4.03Å; E59-Y61 HydrophobicContact CB-CD2 4.47Å; E59-Y61 HydrophobicContact CB-CE2 3.92Å
62I96.7Very high94.2Very high3 Ų351.3 Ų51.32%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-87.8115.8-174.2-54.4174.6000109.1C8 L10 F25 L44 V45 L60 L164C8-I62 HydrophobicContact CB-CG1 4.38Å; C8-I62 CarbonylContact O-C 3.56Å; C8-I62 WeakPolarHBondContact O-CA 3.48Å; L10-I62 HydrophobicContact CB-CG2 3.91Å; L10-I62 HydrophobicContact CD2-CG2 4.12Å; F25-I62 HydrophobicContact CB-CD1 4.48Å; F25-I62 HydrophobicContact CD2-CD1 3.65Å; F25-I62 HydrophobicContact CE2-CD1 4.34Å; F25-I62 HydrophobicContact CG-CD1 4.47Å; L44-I62 WeakPolarHBondContact CA-O 3.43Å; V45-I62 HydrophobicContact CB-CB 4.49Å; V45-I62 PolarHBondContact N-O 3.09Å; V45-I62 PolarHBondContact O-N 2.89Å; L60-I62 HydrophobicContact CB-CG1 4.17Å; I62-L164 HydrophobicContact CD1-CD2 3.66Å
63L96.1Very high94Very high11 Ų1155.4 Ų55.46%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-9595.2176.6-63.1115.3000109.3R7 C8 L9 L10 V42 E43 L44 S65R7-L63 HydrophobicContact CB-CD1 4.12Å; C8-L63 PolarHBondContact O-N 3.08Å; L9-L63 HydrophobicContact CD1-CB 3.99Å; L10-L63 WeakPolarHBondContact CB-O 3.48Å; L10-L63 PolarHBondContact N-O 3.45Å; V42-L63 HydrophobicContact CG1-CB 3.92Å; V42-L63 HydrophobicContact CG1-CD2 3.93Å; V42-L63 HydrophobicContact CG1-CG 4.5Å; E43-L63 CarbonylContact O-C 3.55Å; E43-L63 WeakPolarHBondContact O-CA 3.44Å; L44-L63 HydrophobicContact CD1-CG 4.25Å; L63-S65 PolarHBondContact O-N 3.11Å
64D95.3Very high93.8Very high0 Ų048 Ų480%025%0.251CS..EExtended strand (participates in β ladder)trans-74.3108.1173.3-178.725.4000110.2L10 K18 S19 V42 E43L10-D64 HydrophobicContact CD2-CB 4.07Å; K18-D64 WeakPolarHBondContact CB-OD1 3.42Å; S19-D64 WeakPolarHBondContact CA-OD2 3.31Å; S19-D64 WeakPolarHBondContact CB-OD2 3.44Å; S19-D64 PolarHBondContact OG-OD2 3.35Å; V42-D64 CarbonylContact C-O 3.54Å; V42-D64 VanDerWaalsContact CA-O 3.27Å; V42-D64 WeakPolarHBondContact CA-O 3.33Å; E43-D64 HydrophobicContact CB-CB 4.46Å; E43-D64 PolarHBondContact N-O 3.41Å; E43-D64 PolarHBondContact O-N 3.42Å
65S95.1Very high93.7Very high0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-99.3149.8-176.8-172.30000112.1L10 K18 L63 G67 W79L10-S65 PolarHBondContact O-N 3.41Å; K18-S65 WeakPolarHBondContact CE-O 3.45Å; L63-S65 PolarHBondContact O-N 3.11Å; S65-G67 PolarHBondContact O-N 2.69Å; S65-W79 PolarHBondContact OG-NE1 3.29Å
66A93.3Very high93.6Very high0 Ų041 Ų410%021%0.21CC..  trans-50.6132.8166.400000111.2T39 G41 L71T39-A66 WeakPolarHBondContact O-CB 3.35Å; G41-A66 PolarHBondContact O-N 3.26Å; A66-L71 HydrophobicContact CB-CB 3.88Å
67G89Confident93.1Very high8 Ų849.1 Ų49.18%0.08225%0.245CC..  trans-103-0.7176.600000114.1G12 A14 S65G12-G67 WeakPolarHBondContact O-CA 3.28Å; A14-G67 PolarHBondContact N-O 3.29Å; S65-G67 PolarHBondContact O-N 2.69Å
68K91.2Very high92.8Very high88 Ų8852.8 Ų52.838%0.38326%0.261SS..SBendtrans-83.5119.2177.8-178.1174.2-175.7176.40108.1A14 L38 M70 L71 V72A14-K68 HydrophobicContact CB-CB 4.28Å; L38-K68 HydrophobicContact CD1-CB 4.09Å; L38-K68 HydrophobicContact CD1-CD 4.25Å; L38-K68 HydrophobicContact CD2-CD 3.86Å; K68-M70 VanDerWaalsContact C-N 3.26Å; K68-M70 PolarHBondContact O-N 2.93Å; K68-L71 HydrophobicContact CB-CD1 4.23Å; K68-L71 HydrophobicContact CB-CG 4.36Å; K68-L71 HydrophobicContact CD-CD1 4.35Å; K68-L71 WeakPolarHBondContact O-CA 3.34Å; K68-L71 WeakPolarHBondContact O-CB 3.49Å; K68-L71 PolarHBondContact O-N 2.87Å; K68-V72 WeakPolarHBondContact O-CG2 3.36Å; K68-V72 PolarHBondContact O-N 3.21Å
69E87.9Confident92.6Very high175 Ų17552.8 Ų52.882%0.81826%0.261SS*.Hα-helixtrans-42.7-48.3-173.3-170.9176.8-168.300113.9L71 V72E69-L71 PolarHBondContact O-N 3.46Å; E69-V72 PolarHBondContact O-N 2.84Å; E69-V72 VanDerWaalsContact O-N 3.11Å
70M90.2Very high92.4Very high163 Ų16353.5 Ų53.580%0.80327%0.273SS*.Hα-helixtrans-59-18.7178.6-63.1171.9178.400115K68K68-M70 VanDerWaalsContact C-N 3.26Å; K68-M70 PolarHBondContact O-N 2.93Å
71L91Very high92.1Very high50 Ų5061.4 Ų61.426%0.26231%0.31SS..Hα-helixtrans-107.2-16.2-178.1-54.7-179.1000112.3L38 T40 A66 K68 E69 G74 C75L38-L71 HydrophobicContact CD2-CD1 4.35Å; T40-L71 HydrophobicContact CG2-CD1 4.15Å; A66-L71 HydrophobicContact CB-CB 3.88Å; K68-L71 HydrophobicContact CB-CD1 4.23Å; K68-L71 HydrophobicContact CB-CG 4.36Å; K68-L71 HydrophobicContact CD-CD1 4.35Å; K68-L71 WeakPolarHBondContact O-CA 3.34Å; K68-L71 WeakPolarHBondContact O-CB 3.49Å; K68-L71 PolarHBondContact O-N 2.87Å; E69-L71 PolarHBondContact O-N 3.46Å; L71-G74 PolarHBondContact O-N 2.74Å; L71-C75 PolarHBondContact O-N 3.04Å; L71-C75 PolarHBondContact O-SG 2.91Å
72V90Very high92.1Very high7 Ų758.8 Ų58.84%0.04230%0.301CS..Hα-helixtrans-61.9-49.8-174179.90000110.8K68 E69 G74 C75 E76 W79 W103K68-V72 WeakPolarHBondContact O-CG2 3.36Å; K68-V72 PolarHBondContact O-N 3.21Å; E69-V72 PolarHBondContact O-N 2.84Å; E69-V72 VanDerWaalsContact O-N 3.11Å; V72-G74 PolarHBondContact O-N 3.08Å; V72-C75 WeakPolarHBondContact O-CA 3.38Å; V72-C75 WeakPolarHBondContact O-CB 3.01Å; V72-C75 PolarHBondContact O-N 3.29Å; V72-E76 WeakPolarHBondContact O-CG 3.25Å; V72-E76 PolarHBondContact O-N 2.97Å; V72-E76 VanDerWaalsContact O-N 3.09Å; V72-W79 HydrophobicContact CG1-CH2 4.17Å; V72-W79 HydrophobicContact CG1-CZ2 4.07Å; V72-W103 HydrophobicContact CB-CH2 4.37Å; V72-W103 HydrophobicContact CG1-CH2 3.85Å; V72-W103 HydrophobicContact CG1-CZ3 3.75Å; V72-W103 HydrophobicContact CG2-CH2 3.5Å; V72-W103 VanDerWaalsContact CG2-CH2 3.5Å; V72-W103 HydrophobicContact CG2-CZ2 4.19Å; V72-W103 HydrophobicContact CG2-CZ3 4.26Å
73E89.8Confident92.1Very high146 Ų14660.9 Ų60.968%0.68232%0.316SS*.Hα-helixtrans-58-37.2-178.7-170.5-176.5169.900112.5C75E73-C75 VanDerWaalsContact C-N 3.3Å; E73-C75 PolarHBondContact O-N 3.16Å
74G90.5Very high92.2Very high52 Ų5260.3 Ų60.354%0.53631%0.313SS..Hα-helixtrans-66.3-32.1174.400000113.1L71 V72L71-G74 PolarHBondContact O-N 2.74Å; V72-G74 PolarHBondContact O-N 3.08Å
75C92.8Very high92.3Very high2 Ų260.4 Ų60.41%0.01431%0.314CS..Hα-helixtrans-82.1-26-177.1-65.50000113.9V42 L71 V72 E73 K77 M78 W79V42-C75 HydrophobicContact CG2-CB 3.8Å; L71-C75 PolarHBondContact O-N 3.04Å; L71-C75 PolarHBondContact O-SG 2.91Å; V72-C75 WeakPolarHBondContact O-CA 3.38Å; V72-C75 WeakPolarHBondContact O-CB 3.01Å; V72-C75 PolarHBondContact O-N 3.29Å; E73-C75 VanDerWaalsContact C-N 3.3Å; E73-C75 PolarHBondContact O-N 3.16Å; C75-K77 PolarHBondContact O-N 3.42Å; C75-K77 VanDerWaalsContact O-N 3.15Å; C75-M78 HydrophobicContact CB-CE 4.24Å; C75-M78 WeakPolarHBondContact O-CA 3.41Å; C75-M78 WeakPolarHBondContact O-CB 3.4Å; C75-M78 PolarHBondContact O-N 3.43Å; C75-W79 VanDerWaalsContact O-CD1 3.31Å
76E91.8Very high92.5Very high40 Ų4060.6 Ų60.619%0.18732%0.315CS..Hα-helixtrans-55.8-36.8-176.5-64.7-167.4126.300113.6V72 M78 W79 R106 H110V72-E76 WeakPolarHBondContact O-CG 3.25Å; V72-E76 PolarHBondContact O-N 2.97Å; V72-E76 VanDerWaalsContact O-N 3.09Å; E76-M78 PolarHBondContact O-N 3.43Å; E76-M78 VanDerWaalsContact O-N 3.09Å; E76-W79 HydrophobicContact CB-CD2 4.3Å; E76-W79 HydrophobicContact CB-CE3 4.18Å; E76-W79 HydrophobicContact CB-CZ3 4.37Å; E76-W79 HydrophobicContact CG-CD2 4.29Å; E76-W79 HydrophobicContact CG-CE3 4.03Å; E76-W79 HydrophobicContact CG-CH2 3.7Å; E76-W79 HydrophobicContact CG-CZ2 3.93Å; E76-W79 HydrophobicContact CG-CZ3 3.73Å; E76-W79 WeakPolarHBondContact O-CB 3.42Å; E76-W79 PolarHBondContact O-N 3.01Å; E76-R106 VanDerWaalsContact CD-NE 3.27Å; E76-R106 WeakPolarHBondContact OE1-CD 3.39Å; E76-R106 WeakPolarHBondContact OE1-CG 3.4Å; E76-R106 IonicContact OE1-CZ 3.65Å; E76-R106 IonicContact OE1-NE 2.71Å; E76-R106 PolarHBondContact OE1-NE 2.94Å; E76-R106 IonicContact OE1-NH2 3.89Å; E76-R106 PolarHBondContact OE1-NH2 3.5Å; E76-R106 VanDerWaalsContact OE1-NH2 3.16Å; E76-R106 IonicContact OE2-CZ 3.35Å; E76-R106 IonicContact OE2-NE 2.67Å; E76-R106 IonicContact OE2-NH2 3.65Å; E76-R106 PolarHBondContact OE2-NH2 3.04Å; E76-H110 PolarHBondContact O-CE1 2.81Å
77K88.6Confident92.8Very high190 Ų19060.7 Ų60.783%0.82632%0.315SS*.Hα-helixtrans-60.8-21.9177.6-62.7177.8-176.7173.70112.7C75C75-K77 PolarHBondContact O-N 3.42Å; C75-K77 VanDerWaalsContact O-N 3.15Å
78M91.4Very high93.2Very high90 Ų9060.3 Ų60.344%0.44331%0.311SS..Hα-helixtrans-94.6-10.5179.7-59.9-173.9-76.900113.2V42 C75 E76 G80V42-M78 HydrophobicContact CB-CB 4.22Å; V42-M78 HydrophobicContact CB-CE 4.1Å; V42-M78 HydrophobicContact CB-SD 4.45Å; V42-M78 HydrophobicContact CG2-CB 3.99Å; V42-M78 HydrophobicContact CG2-CE 3.8Å; C75-M78 HydrophobicContact CB-CE 4.24Å; C75-M78 WeakPolarHBondContact O-CA 3.41Å; C75-M78 WeakPolarHBondContact O-CB 3.4Å; C75-M78 PolarHBondContact O-N 3.43Å; E76-M78 PolarHBondContact O-N 3.43Å; E76-M78 VanDerWaalsContact O-N 3.09Å; M78-G80 VanDerWaalsContact C-N 3.26Å; M78-G80 PolarHBondContact O-N 2.89Å
79W93.8Very high93.6Very high0 Ų056.1 Ų56.10%029%0.293CS..Hα-helixtrans-64.2-33.1179.6-64.3-7.9000112.1R7 L9 L11 S65 V72 C75 E76 W103 R106 H110R7-W79 PolarHBondContact NH2-O 3.39Å; L9-W79 HydrophobicContact CD1-CB 3.96Å; L9-W79 VanDerWaalsContact CD1-CD1 3.48Å; L9-W79 HydrophobicContact CD1-CD2 4.05Å; L9-W79 HydrophobicContact CD1-CG 3.57Å; L9-W79 HydrophobicContact CD2-CB 4.2Å; L9-W79 HydrophobicContact CD2-CD2 3.65Å; L9-W79 HydrophobicContact CD2-CE3 3.77Å; L9-W79 HydrophobicContact CD2-CG 3.89Å; L9-W79 HydrophobicContact CD2-CZ3 4.35Å; L9-W79 HydrophobicContact CG-CD2 4.46Å; L9-W79 HydrophobicContact CG-CG 4.39Å; L11-W79 HydrophobicContact CD1-CH2 4.08Å; L11-W79 HydrophobicContact CD1-CZ2 4.28Å; L11-W79 HydrophobicContact CD1-CZ3 4.48Å; L11-W79 HydrophobicContact CD2-CH2 4.24Å; L11-W79 HydrophobicContact CD2-CZ2 3.61Å; S65-W79 PolarHBondContact OG-NE1 3.29Å; V72-W79 HydrophobicContact CG1-CH2 4.17Å; V72-W79 HydrophobicContact CG1-CZ2 4.07Å; C75-W79 VanDerWaalsContact O-CD1 3.31Å; E76-W79 HydrophobicContact CB-CD2 4.3Å; E76-W79 HydrophobicContact CB-CE3 4.18Å; E76-W79 HydrophobicContact CB-CZ3 4.37Å; E76-W79 HydrophobicContact CG-CD2 4.29Å; E76-W79 HydrophobicContact CG-CE3 4.03Å; E76-W79 HydrophobicContact CG-CH2 3.7Å; E76-W79 HydrophobicContact CG-CZ2 3.93Å; E76-W79 HydrophobicContact CG-CZ3 3.73Å; E76-W79 WeakPolarHBondContact O-CB 3.42Å; E76-W79 PolarHBondContact O-N 3.01Å; W79-W103 HydrophobicContact CH2-CZ3 4.24Å; W79-W103 HydrophobicContact CZ2-CZ3 4.24Å; W79-R106 HydrophobicContact CH2-CG 4.15Å; W79-R106 HydrophobicContact CZ3-CG 4.25Å; W79-H110 HydrophobicContact CE3-CB 4.29Å; W79-H110 AromaticContact CE3-CG 3.86Å; W79-H110 AromaticContact CE3-ND1 3.97Å; W79-H110 HydrophobicContact CZ3-CB 4.41Å
80G91.6Very high94.1Very high30 Ų3048.2 Ų48.231%0.30926%0.257SS..  trans65.2-138.2-177.500000111.3M78 P82 H110M78-G80 VanDerWaalsContact C-N 3.26Å; M78-G80 PolarHBondContact O-N 2.89Å; G80-P82 VanDerWaalsContact O-CD 3.26Å; G80-P82 WeakPolarHBondContact O-CD 3.17Å; G80-H110 PolarHBondContact O-NE2 2.94Å
81E92.2Very high94.5Very high166 Ų16640.6 Ų40.678%0.77622%0.219SC*.SBendtrans-109.391.1177.3-65.4180174.700109.3
82P95.8Very high94.9Very high14 Ų1439.5 Ų39.59%0.09122%0.215CC..  trans-71141.2178.530.7-35.1000110.6L9 G80L9-P82 HydrophobicContact CB-CB 3.93Å; L9-P82 HydrophobicContact CB-CG 4.47Å; L9-P82 HydrophobicContact CD2-CG 4.36Å; G80-P82 VanDerWaalsContact O-CD 3.26Å; G80-P82 WeakPolarHBondContact O-CD 3.17Å
83S96.7Very high95.3Very high46 Ų4642.1 Ų42.132%0.32223%0.228SC..SBendtrans-96.5-19.8173.1-44.30000112.1R7R7-S83 PolarHBondContact O-N 3.2Å
84L98.1Very high95.7Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-140154.1-175.4-65173.6000110.5A6 R7 C8 L9 L60 V116 P117 L167 F171A6-L84 HydrophobicContact CB-CD1 3.72Å; A6-L84 HydrophobicContact CB-CG 4.31Å; R7-L84 PolarHBondContact O-N 3.41Å; C8-L84 WeakPolarHBondContact CA-O 3.38Å; C8-L84 HydrophobicContact CB-CB 4.01Å; L9-L84 PolarHBondContact N-O 3.44Å; L60-L84 HydrophobicContact CD2-CD1 3.59Å; L84-V116 VanDerWaalsContact C-CG1 3.47Å; L84-P117 CarbonylContact C-O 3.26Å; L84-P117 WeakPolarHBondContact CA-O 3.29Å; L84-P117 HydrophobicContact CD2-CG 4.01Å; L84-L167 HydrophobicContact CB-CD2 3.96Å; L84-L167 HydrophobicContact CD1-CB 4.16Å; L84-L167 HydrophobicContact CD1-CD2 4.2Å; L84-L167 HydrophobicContact CD2-CD2 4.35Å; L84-L167 HydrophobicContact CG-CD2 4.41Å; L84-F171 HydrophobicContact CD1-CB 4.08Å; L84-F171 HydrophobicContact CD2-CB 4.12Å; L84-F171 HydrophobicContact CD2-CD2 4.43Å; L84-F171 HydrophobicContact CG-CB 4.41Å; L84-F171 HydrophobicContact CG-CD2 4.4Å
85L98.4Very high96Very high2 Ų244.1 Ų44.11%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-122.6134.2174.6176.963.9000111L9 L11 L87 M104 V107 V116 P117 G118 V119L9-L85 HydrophobicContact CB-CD1 4.5Å; L11-L85 HydrophobicContact CB-CD1 4.48Å; L11-L85 HydrophobicContact CD1-CD1 4.07Å; L11-L85 HydrophobicContact CG-CD1 4.24Å; L85-L87 HydrophobicContact CD2-CB 4.45Å; L85-L87 HydrophobicContact CG-CB 4.36Å; L85-M104 HydrophobicContact CD2-CE 4.44Å; L85-M104 HydrophobicContact CD2-SD 3.45Å; L85-M104 WeakPolarHBondContact CD2-SD 3.38Å; L85-V107 HydrophobicContact CD1-CG2 3.99Å; L85-V107 HydrophobicContact CD2-CG1 4.45Å; L85-V107 HydrophobicContact CD2-CG2 4.31Å; L85-V116 HydrophobicContact CB-CG1 4.03Å; L85-P117 PolarHBondContact N-O 2.84Å; L85-G118 CarbonylContact O-C 3.57Å; L85-G118 WeakPolarHBondContact O-CA 3.48Å; L85-V119 PolarHBondContact O-N 2.89Å
86C98.4Very high96.3Very high4 Ų444 Ų443%0.02722%0.223CC..EExtended strand (participates in β ladder)trans-118.6105.9164.1-1750000107.9L9 L10 L11 V119 L167L9-C86 PolarHBondContact O-N 3.4Å; L10-C86 WeakPolarHBondContact CA-O 3.46Å; L10-C86 HydrophobicContact CD1-CB 3.73Å; L10-C86 WeakPolarHBondContact CD1-SG 3.41Å; L11-C86 PolarHBondContact N-O 3.31Å; C86-V119 HydrophobicContact CB-CG2 4.03Å; C86-L167 HydrophobicContact CB-CD1 4.2Å
87L98.6Very high96.7Very high1 Ų143.2 Ų43.21%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-101123.2-179.1-175.357.5000109.4L11 L85 C100 W103 M104 V119 L120 V121 W141L11-L87 HydrophobicContact CB-CD1 4.06Å; L85-L87 HydrophobicContact CD2-CB 4.45Å; L85-L87 HydrophobicContact CG-CB 4.36Å; L87-C100 HydrophobicContact CD2-CB 3.66Å; L87-C100 HydrophobicContact CG-CB 4.29Å; L87-W103 HydrophobicContact CD1-CB 3.59Å; L87-W103 HydrophobicContact CD1-CG 3.95Å; L87-W103 HydrophobicContact CD2-CB 4.4Å; L87-M104 HydrophobicContact CD2-CG 3.92Å; L87-M104 HydrophobicContact CD2-SD 4.09Å; L87-V119 PolarHBondContact N-O 2.92Å; L87-L120 HydrophobicContact CB-CD1 4.19Å; L87-L120 HydrophobicContact CD2-CD1 4.17Å; L87-L120 HydrophobicContact CG-CD1 4.04Å; L87-L120 CarbonylContact O-C 3.49Å; L87-L120 WeakPolarHBondContact O-CA 3.39Å; L87-V121 PolarHBondContact O-N 3.27Å; L87-W141 HydrophobicContact CD2-CH2 3.92Å; L87-W141 HydrophobicContact CD2-CZ3 4.33Å
88V98.8Very high97.1Very high0 Ų036.4 Ų36.40%020%0.198CC..EExtended strand (participates in β ladder)trans-114.8136.4-173.4-169.60000110.6L10 L11 G12 V16 K18 L21 V121 N123L10-V88 HydrophobicContact CD1-CG2 3.49Å; L10-V88 VanDerWaalsContact CD1-CG2 3.49Å; L11-V88 PolarHBondContact O-N 2.85Å; G12-V88 WeakPolarHBondContact CA-O 3.49Å; V16-V88 HydrophobicContact CB-CG1 4.4Å; V16-V88 HydrophobicContact CG2-CB 3.99Å; V16-V88 HydrophobicContact CG2-CG1 3.87Å; K18-V88 HydrophobicContact CG-CB 4.06Å; K18-V88 HydrophobicContact CG-CG2 4.14Å; L21-V88 HydrophobicContact CD1-CG1 3.86Å; L21-V88 HydrophobicContact CD1-CG2 4.13Å; V88-V121 WeakPolarHBondContact CA-O 3.5Å; V88-V121 HydrophobicContact CG1-CB 4.46Å; V88-V121 HydrophobicContact CG2-CB 4.28Å; V88-N123 HydrophobicContact CG1-CB 3.92Å
89F98.9Very high97.5Very high0 Ų034.1 Ų34.10%019%0.187CC..EExtended strand (participates in β ladder)trans-130.8170166.873.3-83.3000110.6L91 F97 L120 V121 G122 N123 V133 A138 Y149F89-L91 HydrophobicContact CE2-CD2 3.8Å; F89-L91 HydrophobicContact CE2-CG 4.47Å; F89-L91 HydrophobicContact CZ-CD2 3.98Å; F89-F97 HydrophobicContact CB-CB 4.4Å; F89-F97 AromaticContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD2-CB 3.65Å; F89-F97 HydrophobicContact CD2-CD2 4.08Å; F89-F97 HydrophobicContact CD2-CG 4.26Å; F89-F97 AromaticContact CE1-CD2 3.86Å; F89-F97 HydrophobicContact CE1-CD2 3.86Å; F89-F97 HydrophobicContact CE1-CE2 4.38Å; F89-F97 HydrophobicContact CE2-CB 4.04Å; F89-F97 AromaticContact CE2-CD2 3.95Å; F89-F97 HydrophobicContact CE2-CD2 3.95Å; F89-F97 HydrophobicContact CE2-CG 4.25Å; F89-F97 HydrophobicContact CG-CB 4.05Å; F89-F97 HydrophobicContact CG-CD2 4.08Å; F89-F97 AromaticContact CZ-CD2 3.84Å; F89-F97 HydrophobicContact CZ-CD2 3.84Å; F89-F97 HydrophobicContact CZ-CE2 4.41Å; F89-L120 HydrophobicContact CD1-CD1 3.74Å; F89-L120 HydrophobicContact CD1-CD2 4.31Å; F89-L120 HydrophobicContact CD1-CG 4.02Å; F89-L120 HydrophobicContact CE1-CD1 4.02Å; F89-L120 HydrophobicContact CE1-CD2 3.76Å; F89-L120 HydrophobicContact CE1-CG 3.77Å; F89-V121 WeakPolarHBondContact CD1-O 3.36Å; F89-V121 PolarHBondContact N-O 3.41Å; F89-G122 VanDerWaalsContact CE1-CA 3.45Å; F89-N123 PolarHBondContact O-N 3.21Å; F89-V133 HydrophobicContact CD2-CG2 4.4Å; F89-V133 HydrophobicContact CE2-CB 3.85Å; F89-V133 HydrophobicContact CE2-CG1 3.77Å; F89-V133 HydrophobicContact CE2-CG2 3.98Å; F89-V133 HydrophobicContact CZ-CG1 4.11Å; F89-A138 HydrophobicContact CE1-CB 4.29Å; F89-A138 HydrophobicContact CZ-CB 3.8Å; F89-Y149 AromaticContact CE1-CE2 3.87Å; F89-Y149 HydrophobicContact CE1-CE2 3.87Å; F89-Y149 HydrophobicContact CZ-CE2 4.01Å
90D98.6Very high97.7Very high10 Ų1034.1 Ų34.15%0.05319%0.187CC..EExtended strand (participates in β ladder)trans-100.3123.2177.2176.40.6000109.9V16 T92 N93 S96 K124V16-D90 HydrophobicContact CB-CB 4.29Å; V16-D90 HydrophobicContact CG1-CB 4.22Å; D90-T92 PolarHBondContact O-N 3.49Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 PolarHBondContact OD1-N 3.1Å; D90-T92 PolarHBondContact OD1-OG1 3.1Å; D90-T92 VanDerWaalsContact OD1-OG1 3.12Å; D90-T92 PolarHBondContact OD2-OG1 3.22Å; D90-N93 HydrophobicContact CB-CB 4Å; D90-N93 PolarHBondContact O-N 3.48Å; D90-S96 PolarHBondContact N-OG 3.11Å; D90-S96 PolarHBondContact O-OG 3.16Å; D90-K124 HydrophobicContact CB-CD 4.49Å; D90-K124 WeakPolarHBondContact OD1-CD 3.47Å; D90-K124 WeakPolarHBondContact OD2-CD 3.19Å; D90-K124 VanDerWaalsContact OD2-CE 3.24Å; D90-K124 WeakPolarHBondContact OD2-CE 3.17Å; D90-K124 IonicContact OD2-NZ 3.42Å; D90-K124 PolarHBondContact OD2-NZ 2.88Å
91L98.8Very high98Very high3 Ų334.8 Ų34.82%0.01619%0.186CC..THydrogen-bonded Turntrans-59.9-20.2179.3-73.3171.1000113.4F89 G122 N123 E132 V133 E151F89-L91 HydrophobicContact CE2-CD2 3.8Å; F89-L91 HydrophobicContact CE2-CG 4.47Å; F89-L91 HydrophobicContact CZ-CD2 3.98Å; L91-G122 WeakPolarHBondContact CD1-O 3.37Å; L91-N123 WeakPolarHBondContact CB-O 3.29Å; L91-N123 WeakPolarHBondContact CG-O 3.47Å; L91-N123 PolarHBondContact N-O 3.33Å; L91-E132 PolarHBondContact O-N 3.1Å; L91-V133 PolarHBondContact O-N 3.5Å; L91-E151 HydrophobicContact CD1-CB 4.27Å; L91-E151 HydrophobicContact CD1-CG 4.07Å; L91-E151 HydrophobicContact CD2-CG 4.35Å
92T98.6Very high98.2Very high27 Ų2730.4 Ų30.417%0.16617%0.173CC..THydrogen-bonded Turntrans-99.316.617780.60000113.2D90 L127 R130D90-T92 PolarHBondContact O-N 3.49Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 PolarHBondContact OD1-N 3.1Å; D90-T92 PolarHBondContact OD1-OG1 3.1Å; D90-T92 VanDerWaalsContact OD1-OG1 3.12Å; D90-T92 PolarHBondContact OD2-OG1 3.22Å; T92-L127 HydrophobicContact CG2-CB 3.53Å; T92-L127 HydrophobicContact CG2-CD1 4.07Å; T92-L127 HydrophobicContact CG2-CG 4.45Å; T92-R130 WeakPolarHBondContact CA-O 3.47Å; T92-R130 VanDerWaalsContact CB-O 3.25Å; T92-R130 WeakPolarHBondContact CB-O 2.89Å; T92-R130 HydrophobicContact CG2-CB 3.84Å
93N98.4Very high98.3Very high62 Ų6230.7 Ų30.733%0.33217%0.172SC..  trans-145.296.9-179.9-178.5-21.2000110.3D90 Q95 S96 F97 E132D90-N93 HydrophobicContact CB-CB 4Å; D90-N93 PolarHBondContact O-N 3.48Å; N93-Q95 VanDerWaalsContact C-N 3.26Å; N93-Q95 PolarHBondContact O-N 2.91Å; N93-Q95 WeakPolarHBondContact OD1-CB 3.46Å; N93-Q95 PolarHBondContact OD1-N 2.77Å; N93-Q95 VanDerWaalsContact OD1-N 3.1Å; N93-S96 PolarHBondContact O-N 3.02Å; N93-S96 VanDerWaalsContact O-N 3.12Å; N93-S96 PolarHBondContact O-OG 3.42Å; N93-S96 PolarHBondContact OD1-N 2.88Å; N93-F97 PolarHBondContact O-N 3Å; N93-E132 WeakPolarHBondContact CA-OE2 3.38Å
94E98.3Very high98.3Very high125 Ų12529.8 Ų29.858%0.58416%0.163SC*.Hα-helixtrans-57.3-37.4179.4-173.2177.5-167.600112.8S96 F97 A98 E132E94-S96 VanDerWaalsContact C-N 3.29Å; E94-S96 PolarHBondContact O-N 2.99Å; E94-F97 WeakPolarHBondContact O-CB 3.39Å; E94-F97 PolarHBondContact O-N 3.2Å; E94-F97 VanDerWaalsContact O-N 3.13Å; E94-A98 PolarHBondContact O-N 3.27Å; E94-E132 HydrophobicContact CB-CB 4.21Å; E94-E132 PolarHBondContact N-OE2 3.13Å
95Q98.4Very high98.2Very high114 Ų11435.5 Ų35.553%0.53319%0.19SC..Hα-helixtrans-63.1-37.3178.9-173.26354.200111.8N93 F97 A98 N99N93-Q95 VanDerWaalsContact C-N 3.26Å; N93-Q95 PolarHBondContact O-N 2.91Å; N93-Q95 WeakPolarHBondContact OD1-CB 3.46Å; N93-Q95 PolarHBondContact OD1-N 2.77Å; N93-Q95 VanDerWaalsContact OD1-N 3.1Å; Q95-F97 PolarHBondContact O-N 2.89Å; Q95-A98 PolarHBondContact O-N 2.96Å; Q95-N99 PolarHBondContact NE2-OD1 2.86Å; Q95-N99 WeakPolarHBondContact O-CB 3.46Å; Q95-N99 PolarHBondContact O-N 3.44Å; Q95-N99 PolarHBondContact O-ND2 2.89Å
96S98.7Very high98.1Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-64.4-32.2177.576.10000112.4D90 N93 E94 C100D90-S96 PolarHBondContact N-OG 3.11Å; D90-S96 PolarHBondContact O-OG 3.16Å; N93-S96 PolarHBondContact O-N 3.02Å; N93-S96 VanDerWaalsContact O-N 3.12Å; N93-S96 PolarHBondContact O-OG 3.42Å; N93-S96 PolarHBondContact OD1-N 2.88Å; E94-S96 VanDerWaalsContact C-N 3.29Å; E94-S96 PolarHBondContact O-N 2.99Å; S96-C100 PolarHBondContact O-SG 2.94Å
97F98.8Very high97.9Very high23 Ų2339.7 Ų39.710%0.10121%0.205CC..Hα-helixtrans-74.2-43.3172.8175.5-112.1000111.7F89 N93 E94 Q95 N99 C100 L120 V133 V137 A138 W141F89-F97 HydrophobicContact CB-CB 4.4Å; F89-F97 AromaticContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD2-CB 3.65Å; F89-F97 HydrophobicContact CD2-CD2 4.08Å; F89-F97 HydrophobicContact CD2-CG 4.26Å; F89-F97 AromaticContact CE1-CD2 3.86Å; F89-F97 HydrophobicContact CE1-CD2 3.86Å; F89-F97 HydrophobicContact CE1-CE2 4.38Å; F89-F97 HydrophobicContact CE2-CB 4.04Å; F89-F97 AromaticContact CE2-CD2 3.95Å; F89-F97 HydrophobicContact CE2-CD2 3.95Å; F89-F97 HydrophobicContact CE2-CG 4.25Å; F89-F97 HydrophobicContact CG-CB 4.05Å; F89-F97 HydrophobicContact CG-CD2 4.08Å; F89-F97 AromaticContact CZ-CD2 3.84Å; F89-F97 HydrophobicContact CZ-CD2 3.84Å; F89-F97 HydrophobicContact CZ-CE2 4.41Å; N93-F97 PolarHBondContact O-N 3Å; E94-F97 WeakPolarHBondContact O-CB 3.39Å; E94-F97 PolarHBondContact O-N 3.2Å; E94-F97 VanDerWaalsContact O-N 3.13Å; Q95-F97 PolarHBondContact O-N 2.89Å; F97-N99 PolarHBondContact O-N 3.48Å; F97-C100 WeakPolarHBondContact O-CB 3.49Å; F97-C100 PolarHBondContact O-N 3.02Å; F97-C100 PolarHBondContact O-SG 3Å; F97-L120 HydrophobicContact CE2-CD2 4.03Å; F97-V133 HydrophobicContact CB-CG1 4.39Å; F97-V133 HydrophobicContact CB-CG2 3.8Å; F97-V133 HydrophobicContact CD1-CG1 3.94Å; F97-V133 HydrophobicContact CD1-CG2 4.4Å; F97-V133 HydrophobicContact CD2-CG1 4.26Å; F97-V133 HydrophobicContact CE1-CG1 4.28Å; F97-V133 HydrophobicContact CG-CG1 3.93Å; F97-V133 HydrophobicContact CG-CG2 4.21Å; F97-V137 HydrophobicContact CE1-CG1 4Å; F97-V137 HydrophobicContact CZ-CG1 4.32Å; F97-A138 HydrophobicContact CE2-CB 3.9Å; F97-A138 HydrophobicContact CZ-CB 4.25Å; F97-W141 HydrophobicContact CE2-CB 4.3Å; F97-W141 HydrophobicContact CE2-CD2 4.33Å; F97-W141 HydrophobicContact CE2-CE3 4.41Å; F97-W141 HydrophobicContact CE2-CG 4.31Å; F97-W141 HydrophobicContact CZ-CB 3.76Å; F97-W141 HydrophobicContact CZ-CD2 4.39Å; F97-W141 AromaticContact CZ-CG 3.92Å; F97-W141 HydrophobicContact CZ-CG 3.92Å
98A98.4Very high97.8Very high47 Ų4745 Ų4539%0.38823%0.23SC..Hα-helixtrans-56.9-41.8175.600000111.6E94 Q95 C100 T101E94-A98 PolarHBondContact O-N 3.27Å; Q95-A98 PolarHBondContact O-N 2.96Å; A98-C100 PolarHBondContact O-N 3.19Å; A98-T101 PolarHBondContact O-N 2.98Å
99N98.5Very high97.6Very high42 Ų4248.7 Ų48.723%0.22526%0.261CS..THydrogen-bonded Turntrans-66.3-15.6178.7-71.2-11.1000113.8D13 Q95 F97 T101 C102 W103D13-N99 PolarHBondContact OD2-ND2 2.86Å; Q95-N99 PolarHBondContact NE2-OD1 2.86Å; Q95-N99 WeakPolarHBondContact O-CB 3.46Å; Q95-N99 PolarHBondContact O-N 3.44Å; Q95-N99 PolarHBondContact O-ND2 2.89Å; F97-N99 PolarHBondContact O-N 3.48Å; N99-T101 PolarHBondContact O-N 3.07Å; N99-T101 VanDerWaalsContact O-N 3.16Å; N99-C102 WeakPolarHBondContact O-CB 3.4Å; N99-C102 PolarHBondContact O-N 3.27Å; N99-W103 PolarHBondContact O-N 2.82Å
100C98.4Very high97.4Very high0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-56.5-29.8173-69.30000112.5L87 S96 F97 A98 W103 M104 W141L87-C100 HydrophobicContact CD2-CB 3.66Å; L87-C100 HydrophobicContact CG-CB 4.29Å; S96-C100 PolarHBondContact O-SG 2.94Å; F97-C100 WeakPolarHBondContact O-CB 3.49Å; F97-C100 PolarHBondContact O-N 3.02Å; F97-C100 PolarHBondContact O-SG 3Å; A98-C100 PolarHBondContact O-N 3.19Å; C100-W103 PolarHBondContact O-N 3.07Å; C100-M104 WeakPolarHBondContact O-CG 3.24Å; C100-M104 PolarHBondContact O-N 3.06Å; C100-W141 HydrophobicContact CB-CH2 3.53Å; C100-W141 HydrophobicContact CB-CZ2 3.8Å; C100-W141 HydrophobicContact CB-CZ3 4.16Å
101T97.9Very high97.2Very high44 Ų4451.8 Ų51.827%0.2728%0.276SS..Hα-helixtrans-64.8-46.5175.2-56.90000111.4A98 N99 W103 M104 E105 W141A98-T101 PolarHBondContact O-N 2.98Å; N99-T101 PolarHBondContact O-N 3.07Å; N99-T101 VanDerWaalsContact O-N 3.16Å; T101-W103 VanDerWaalsContact C-N 3.31Å; T101-W103 PolarHBondContact O-N 2.94Å; T101-M104 WeakPolarHBondContact O-CB 3.26Å; T101-M104 PolarHBondContact O-N 3.31Å; T101-E105 WeakPolarHBondContact O-CG 3.37Å; T101-E105 PolarHBondContact O-N 2.99Å; T101-W141 PolarHBondContact OG1-NE1 3.2Å
102C97.2Very high97Very high75 Ų7560.8 Ų60.851%0.50732%0.315SS..Hα-helixtrans-62.3-39.4176.1-57.20000111.6N99 E105 R106N99-C102 WeakPolarHBondContact O-CB 3.4Å; N99-C102 PolarHBondContact O-N 3.27Å; C102-E105 PolarHBondContact O-N 3.4Å; C102-R106 WeakPolarHBondContact O-CB 3.11Å; C102-R106 PolarHBondContact O-N 2.95Å
103W97.6Very high96.7Very high19 Ų1961.7 Ų61.77%0.07233%0.33CS..Hα-helixtrans-62.4-43174.7-76.7110.6000112.4L11 G12 D13 V72 W79 L87 N99 C100 T101 R106 V107L11-W103 HydrophobicContact CB-CD2 4.35Å; L11-W103 HydrophobicContact CB-CE3 3.93Å; L11-W103 HydrophobicContact CB-CZ3 4.23Å; L11-W103 HydrophobicContact CD1-CE3 3.86Å; L11-W103 HydrophobicContact CD1-CZ3 4.22Å; L11-W103 HydrophobicContact CD2-CE3 4.44Å; L11-W103 HydrophobicContact CD2-CZ3 4.04Å; L11-W103 HydrophobicContact CG-CE3 4.3Å; L11-W103 HydrophobicContact CG-CZ3 4.39Å; G12-W103 VanDerWaalsContact O-CZ2 3.26Å; G12-W103 WeakPolarHBondContact O-CZ2 3.45Å; D13-W103 PolarHBondContact OD1-NE1 3.49Å; V72-W103 HydrophobicContact CB-CH2 4.37Å; V72-W103 HydrophobicContact CG1-CH2 3.85Å; V72-W103 HydrophobicContact CG1-CZ3 3.75Å; V72-W103 HydrophobicContact CG2-CH2 3.5Å; V72-W103 VanDerWaalsContact CG2-CH2 3.5Å; V72-W103 HydrophobicContact CG2-CZ2 4.19Å; V72-W103 HydrophobicContact CG2-CZ3 4.26Å; W79-W103 HydrophobicContact CH2-CZ3 4.24Å; W79-W103 HydrophobicContact CZ2-CZ3 4.24Å; L87-W103 HydrophobicContact CD1-CB 3.59Å; L87-W103 HydrophobicContact CD1-CG 3.95Å; L87-W103 HydrophobicContact CD2-CB 4.4Å; N99-W103 PolarHBondContact O-N 2.82Å; C100-W103 PolarHBondContact O-N 3.07Å; T101-W103 VanDerWaalsContact C-N 3.31Å; T101-W103 PolarHBondContact O-N 2.94Å; W103-R106 WeakPolarHBondContact O-CB 3.37Å; W103-R106 PolarHBondContact O-N 2.76Å; W103-V107 WeakPolarHBondContact O-CG2 3.16Å; W103-V107 PolarHBondContact O-N 3.16Å
104M96.6Very high96.3Very high28 Ų2864.7 Ų64.714%0.13835%0.345CS..Hα-helixtrans-62-45175.8-76.3-62.7-61.200112.3L85 L87 C100 T101 R106 V107 Q108 W141 K145 L147L85-M104 HydrophobicContact CD2-CE 4.44Å; L85-M104 HydrophobicContact CD2-SD 3.45Å; L85-M104 WeakPolarHBondContact CD2-SD 3.38Å; L87-M104 HydrophobicContact CD2-CG 3.92Å; L87-M104 HydrophobicContact CD2-SD 4.09Å; C100-M104 WeakPolarHBondContact O-CG 3.24Å; C100-M104 PolarHBondContact O-N 3.06Å; T101-M104 WeakPolarHBondContact O-CB 3.26Å; T101-M104 PolarHBondContact O-N 3.31Å; M104-R106 VanDerWaalsContact C-N 3.26Å; M104-R106 PolarHBondContact O-N 3.3Å; M104-V107 PolarHBondContact O-N 3.02Å; M104-Q108 WeakPolarHBondContact O-CB 3.39Å; M104-Q108 PolarHBondContact O-N 2.95Å; M104-W141 HydrophobicContact CG-CH2 3.68Å; M104-W141 HydrophobicContact CG-CZ2 4.21Å; M104-K145 HydrophobicContact CE-CB 4.19Å; M104-L147 HydrophobicContact SD-CD1 3.94Å
105E95.8Very high95.9Very high119 Ų11964.5 Ų64.556%0.55634%0.344SS*.Hα-helixtrans-59.9-40.2176.6-71.5171.718000111.4T101 C102 Q108 A109T101-E105 WeakPolarHBondContact O-CG 3.37Å; T101-E105 PolarHBondContact O-N 2.99Å; C102-E105 PolarHBondContact O-N 3.4Å; E105-Q108 PolarHBondContact O-N 3.26Å; E105-A109 WeakPolarHBondContact O-CB 3.23Å; E105-A109 PolarHBondContact O-N 2.93Å
106R95.6Very high95.7Very high88 Ų8859.6 Ų59.633%0.33232%0.322SS..Hα-helixtrans-65-43.8177.6-162.1162.5-172.1107.513.7112.2E76 W79 C102 W103 M104 A109 H110E76-R106 VanDerWaalsContact CD-NE 3.27Å; E76-R106 WeakPolarHBondContact OE1-CD 3.39Å; E76-R106 WeakPolarHBondContact OE1-CG 3.4Å; E76-R106 IonicContact OE1-CZ 3.65Å; E76-R106 IonicContact OE1-NE 2.71Å; E76-R106 PolarHBondContact OE1-NE 2.94Å; E76-R106 IonicContact OE1-NH2 3.89Å; E76-R106 PolarHBondContact OE1-NH2 3.5Å; E76-R106 VanDerWaalsContact OE1-NH2 3.16Å; E76-R106 IonicContact OE2-CZ 3.35Å; E76-R106 IonicContact OE2-NE 2.67Å; E76-R106 IonicContact OE2-NH2 3.65Å; E76-R106 PolarHBondContact OE2-NH2 3.04Å; W79-R106 HydrophobicContact CH2-CG 4.15Å; W79-R106 HydrophobicContact CZ3-CG 4.25Å; C102-R106 WeakPolarHBondContact O-CB 3.11Å; C102-R106 PolarHBondContact O-N 2.95Å; W103-R106 WeakPolarHBondContact O-CB 3.37Å; W103-R106 PolarHBondContact O-N 2.76Å; M104-R106 VanDerWaalsContact C-N 3.26Å; M104-R106 PolarHBondContact O-N 3.3Å; R106-A109 PolarHBondContact O-N 3.47Å; R106-H110 WeakPolarHBondContact O-CB 3.36Å; R106-H110 PolarHBondContact O-N 3.34Å
107V96.1Very high95.6Very high6 Ų660.6 Ų60.64%0.03633%0.329CS..Hα-helixtrans-61.8-44.4173.1173.30000110.8L9 L11 L85 W103 M104 A109 H110 C111 V116L9-V107 HydrophobicContact CD2-CG2 4.45Å; L11-V107 HydrophobicContact CD1-CG2 3.36Å; L85-V107 HydrophobicContact CD1-CG2 3.99Å; L85-V107 HydrophobicContact CD2-CG1 4.45Å; L85-V107 HydrophobicContact CD2-CG2 4.31Å; W103-V107 WeakPolarHBondContact O-CG2 3.16Å; W103-V107 PolarHBondContact O-N 3.16Å; M104-V107 PolarHBondContact O-N 3.02Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 2.83Å; V107-H110 PolarHBondContact O-N 3.48Å; V107-C111 WeakPolarHBondContact O-CB 3.19Å; V107-C111 PolarHBondContact O-N 2.96Å; V107-V116 HydrophobicContact CG1-CB 4.39Å; V107-V116 HydrophobicContact CG1-CG2 4.15Å
108Q94.9Very high95.5Very high113 Ų11359.8 Ų59.853%0.52833%0.327SS..Hα-helixtrans-61.9-42.7179.2-172.5175.823.400111.6M104 E105 C111 K112 G113M104-Q108 WeakPolarHBondContact O-CB 3.39Å; M104-Q108 PolarHBondContact O-N 2.95Å; E105-Q108 PolarHBondContact O-N 3.26Å; Q108-C111 CarbonylContact O-C 3.57Å; Q108-C111 PolarHBondContact O-N 2.71Å; Q108-K112 PolarHBondContact O-N 3.25Å; Q108-G113 PolarHBondContact O-N 3.03Å
109A95.1Very high95.6Very high77 Ų7757.6 Ų57.664%0.63631%0.308SS*.Hα-helixtrans-62.7-46.8175.100000111.5E105 R106 V107 C111 K112E105-A109 WeakPolarHBondContact O-CB 3.23Å; E105-A109 PolarHBondContact O-N 2.93Å; R106-A109 PolarHBondContact O-N 3.47Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 2.83Å; A109-C111 VanDerWaalsContact C-N 3.34Å; A109-C111 PolarHBondContact O-N 2.77Å; A109-K112 PolarHBondContact O-N 2.93Å; A109-K112 VanDerWaalsContact O-N 3.16Å
110H95.1Very high95.6Very high58 Ų5855.6 Ų55.627%0.26930%0.298SS..Hα-helixtrans-60.3-41.9178-17680000112.5E76 W79 G80 R106 V107 K112E76-H110 PolarHBondContact O-CE1 2.81Å; W79-H110 HydrophobicContact CE3-CB 4.29Å; W79-H110 AromaticContact CE3-CG 3.86Å; W79-H110 AromaticContact CE3-ND1 3.97Å; W79-H110 HydrophobicContact CZ3-CB 4.41Å; G80-H110 PolarHBondContact O-NE2 2.94Å; R106-H110 WeakPolarHBondContact O-CB 3.36Å; R106-H110 PolarHBondContact O-N 3.34Å; V107-H110 PolarHBondContact O-N 3.48Å; H110-K112 PolarHBondContact O-N 2.71Å
111C94.8Very high95.6Very high17 Ų1755.6 Ų55.612%0.11530%0.298CS..THydrogen-bonded Turntrans-85.915.9178.9-66.10000113.6V107 Q108 A109 G113 L114 V116V107-C111 WeakPolarHBondContact O-CB 3.19Å; V107-C111 PolarHBondContact O-N 2.96Å; Q108-C111 CarbonylContact O-C 3.57Å; Q108-C111 PolarHBondContact O-N 2.71Å; A109-C111 VanDerWaalsContact C-N 3.34Å; A109-C111 PolarHBondContact O-N 2.77Å; C111-G113 PolarHBondContact O-N 2.92Å; C111-L114 HydrophobicContact CB-CB 4.42Å; C111-L114 VanDerWaalsContact O-CB 3.31Å; C111-L114 WeakPolarHBondContact O-CB 3.33Å; C111-L114 WeakPolarHBondContact O-CG 3.33Å; C111-L114 PolarHBondContact O-N 2.87Å; C111-V116 HydrophobicContact CB-CG2 4.06Å; C111-V116 VanDerWaalsContact SG-CG2 3.57Å
112K93.9Very high95.6Very high192 Ų19253.5 Ų53.584%0.83529%0.285SS*.THydrogen-bonded Turntrans54.336.6176.2-55.4174.6-175.8168.30113.4Q108 A109 H110 L114Q108-K112 PolarHBondContact O-N 3.25Å; A109-K112 PolarHBondContact O-N 2.93Å; A109-K112 VanDerWaalsContact O-N 3.16Å; H110-K112 PolarHBondContact O-N 2.71Å; K112-L114 VanDerWaalsContact C-N 3.32Å
113G91.1Very high95.7Very high46 Ų4650.1 Ų50.147%0.47426%0.262SS..THydrogen-bonded Turntrans85.2-4.4179.900000115.1Q108 C111Q108-G113 PolarHBondContact O-N 3.03Å; C111-G113 PolarHBondContact O-N 2.92Å
114L90.2Very high95.7Very high125 Ų12551.6 Ų51.665%0.65427%0.269SS*.  trans-68.3134.3175.9-64.5173.4000110.5C111 K112 V116C111-L114 HydrophobicContact CB-CB 4.42Å; C111-L114 VanDerWaalsContact O-CB 3.31Å; C111-L114 WeakPolarHBondContact O-CB 3.33Å; C111-L114 WeakPolarHBondContact O-CG 3.33Å; C111-L114 PolarHBondContact O-N 2.87Å; K112-L114 VanDerWaalsContact C-N 3.32Å; L114-V116 PolarHBondContact O-N 2.83Å
115H90.6Very high95.8Very high121 Ų12151.2 Ų51.256%0.5627%0.269SS*.  trans-69.1129.9172.5177.568.5000109.8K145H115-K145 PolarHBondContact CE1-O 3.4Å
116V95Very high95.9Very high12 Ų1247.6 Ų47.67%0.07325%0.253CS..  trans-110.4113.5174.4-176.80000107.1L84 L85 V107 C111 L114L84-V116 VanDerWaalsContact C-CG1 3.47Å; L85-V116 HydrophobicContact CB-CG1 4.03Å; V107-V116 HydrophobicContact CG1-CB 4.39Å; V107-V116 HydrophobicContact CG1-CG2 4.15Å; C111-V116 HydrophobicContact CB-CG2 4.06Å; C111-V116 VanDerWaalsContact SG-CG2 3.57Å; L114-V116 PolarHBondContact O-N 2.83Å
117P95.6Very high95.9Very high20 Ų2046.2 Ų46.213%0.1325%0.252CS..  trans-67.9161.4177.133.6-39.8000110.2L84 L85 L174L84-P117 CarbonylContact C-O 3.26Å; L84-P117 WeakPolarHBondContact CA-O 3.29Å; L84-P117 HydrophobicContact CD2-CG 4.01Å; L85-P117 PolarHBondContact N-O 2.84Å; P117-L174 HydrophobicContact CG-CD1 3.8Å
118G97.8Very high95.9Very high6 Ų649.8 Ų49.86%0.06228%0.278CS..EExtended strand (participates in β ladder)trans171.6-160.6-176.100000115.1L85 L147 E148L85-G118 CarbonylContact O-C 3.57Å; L85-G118 WeakPolarHBondContact O-CA 3.48Å; G118-L147 WeakPolarHBondContact O-CA 3.49Å; G118-E148 PolarHBondContact O-N 3.31Å; G118-E148 VanDerWaalsContact O-N 3.09Å
119V98.7Very high96Very high1 Ų149.4 Ų49.41%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-129.5144.3-178.2-60.30000110.8L85 C86 L87 V121 E148 P163 L167L85-V119 PolarHBondContact O-N 2.89Å; C86-V119 HydrophobicContact CB-CG2 4.03Å; L87-V119 PolarHBondContact N-O 2.92Å; V119-V121 HydrophobicContact CG2-CG2 3.96Å; V119-E148 CarbonylContact C-O 3.56Å; V119-E148 VanDerWaalsContact CA-O 3.25Å; V119-E148 WeakPolarHBondContact CA-O 3.29Å; V119-E148 HydrophobicContact CG1-CB 4.27Å; V119-P163 HydrophobicContact CG2-CB 4.16Å; V119-L167 HydrophobicContact CG1-CD2 4.24Å; V119-L167 HydrophobicContact CG1-CG 3.98Å; V119-L167 HydrophobicContact CG2-CD1 3.95Å; V119-L167 HydrophobicContact CG2-CD2 4.08Å; V119-L167 HydrophobicContact CG2-CG 3.91Å
120L98.9Very high96.1Very high0 Ų054.1 Ų54.10%030%0.295CS..EExtended strand (participates in β ladder)trans-97.6129.9161-179.372.8000108.6L87 F89 F97 A138 W141 A142 L147 E148 Y149 H150L87-L120 HydrophobicContact CB-CD1 4.19Å; L87-L120 HydrophobicContact CD2-CD1 4.17Å; L87-L120 HydrophobicContact CG-CD1 4.04Å; L87-L120 CarbonylContact O-C 3.49Å; L87-L120 WeakPolarHBondContact O-CA 3.39Å; F89-L120 HydrophobicContact CD1-CD1 3.74Å; F89-L120 HydrophobicContact CD1-CD2 4.31Å; F89-L120 HydrophobicContact CD1-CG 4.02Å; F89-L120 HydrophobicContact CE1-CD1 4.02Å; F89-L120 HydrophobicContact CE1-CD2 3.76Å; F89-L120 HydrophobicContact CE1-CG 3.77Å; F97-L120 HydrophobicContact CE2-CD2 4.03Å; L120-A138 HydrophobicContact CD2-CB 4.38Å; L120-W141 HydrophobicContact CD1-CE3 4.47Å; L120-W141 HydrophobicContact CD1-CZ3 3.9Å; L120-W141 HydrophobicContact CD2-CE3 3.73Å; L120-W141 HydrophobicContact CD2-CZ3 3.97Å; L120-W141 HydrophobicContact CG-CZ3 4.39Å; L120-A142 HydrophobicContact CB-CB 3.9Å; L120-A142 HydrophobicContact CD2-CB 3.91Å; L120-L147 HydrophobicContact CB-CD1 4.33Å; L120-E148 PolarHBondContact N-O 2.79Å; L120-Y149 HydrophobicContact CB-CD2 4.17Å; L120-Y149 HydrophobicContact CD2-CD2 3.83Å; L120-Y149 HydrophobicContact CD2-CE2 4.18Å; L120-Y149 HydrophobicContact CG-CD2 4.04Å; L120-Y149 HydrophobicContact CG-CE2 4.42Å; L120-Y149 WeakPolarHBondContact O-CA 3.3Å; L120-Y149 WeakPolarHBondContact O-CD2 3.48Å; L120-H150 PolarHBondContact O-N 2.91Å
121V98.9Very high96.3Very high1 Ų154.8 Ų54.81%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-119.1113.6-178.9-178.10000110.2L21 L87 V88 F89 V119 N123 H150 T152 P163L21-V121 HydrophobicContact CD1-CG1 4.09Å; L87-V121 PolarHBondContact O-N 3.27Å; V88-V121 WeakPolarHBondContact CA-O 3.5Å; V88-V121 HydrophobicContact CG1-CB 4.46Å; V88-V121 HydrophobicContact CG2-CB 4.28Å; F89-V121 WeakPolarHBondContact CD1-O 3.36Å; F89-V121 PolarHBondContact N-O 3.41Å; V119-V121 HydrophobicContact CG2-CG2 3.96Å; V121-N123 PolarHBondContact O-N 3.37Å; V121-H150 CarbonylContact C-O 3.47Å; V121-H150 WeakPolarHBondContact CA-O 3.45Å; V121-T152 HydrophobicContact CG1-CG2 3.74Å; V121-T152 VanDerWaalsContact CG1-OG1 3.29Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.42Å; V121-P163 HydrophobicContact CG2-CB 3.96Å; V121-P163 HydrophobicContact CG2-CG 3.97Å
122G98.8Very high96.4Very high0 Ų059.3 Ų59.30%031%0.314CS..EExtended strand (participates in β ladder)trans-8510116700000110.1F89 L91 H150 E151 T152F89-G122 VanDerWaalsContact CE1-CA 3.45Å; L91-G122 WeakPolarHBondContact CD1-O 3.37Å; G122-H150 PolarHBondContact N-O 3.16Å; G122-E151 CarbonylContact O-C 3.59Å; G122-E151 VanDerWaalsContact O-CA 3.23Å; G122-E151 WeakPolarHBondContact O-CA 3.48Å; G122-T152 PolarHBondContact O-N 2.81Å
123N98.6Very high96.7Very high3 Ų350.4 Ų50.42%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-88.5169.2-176.9-166.630.7000112.3V16 L21 V88 F89 L91 V121 T152 A154V16-N123 PolarHBondContact O-ND2 3.48Å; L21-N123 HydrophobicContact CD1-CB 4.32Å; V88-N123 HydrophobicContact CG1-CB 3.92Å; F89-N123 PolarHBondContact O-N 3.21Å; L91-N123 WeakPolarHBondContact CB-O 3.29Å; L91-N123 WeakPolarHBondContact CG-O 3.47Å; L91-N123 PolarHBondContact N-O 3.33Å; V121-N123 PolarHBondContact O-N 3.37Å; N123-T152 CarbonylContact C-O 3.51Å; N123-T152 VanDerWaalsContact CA-O 3.3Å; N123-T152 WeakPolarHBondContact CA-O 3.24Å; N123-T152 PolarHBondContact OD1-O 3.49Å; N123-T152 PolarHBondContact OD1-OG1 3.22Å; N123-A154 PolarHBondContact OD1-N 2.86Å
124K97.9Very high97Very high51 Ų5153.9 Ų53.922%0.22228%0.28CS..  trans67.337.1-179.6-43.5-168.8-162.9167.40113.7A15 D90 D126 L127 T152A15-K124 WeakPolarHBondContact O-CE 3.5Å; A15-K124 PolarHBondContact O-NZ 2.73Å; D90-K124 HydrophobicContact CB-CD 4.49Å; D90-K124 WeakPolarHBondContact OD1-CD 3.47Å; D90-K124 WeakPolarHBondContact OD2-CD 3.19Å; D90-K124 VanDerWaalsContact OD2-CE 3.24Å; D90-K124 WeakPolarHBondContact OD2-CE 3.17Å; D90-K124 IonicContact OD2-NZ 3.42Å; D90-K124 PolarHBondContact OD2-NZ 2.88Å; K124-D126 PolarHBondContact O-N 2.64Å; K124-D126 VanDerWaalsContact O-N 3.11Å; K124-L127 HydrophobicContact CB-CD1 4.3Å; K124-L127 HydrophobicContact CD-CD1 4.37Å; K124-L127 PolarHBondContact O-N 3.16Å; K124-T152 PolarHBondContact N-O 2.87Å
125S98.2Very high97.4Very high19 Ų1949.9 Ų49.913%0.13327%0.265CS..G310 helixtrans-58.3-22.2175.161.80000113.4L127 S128 T152 S153S125-L127 PolarHBondContact O-N 3.25Å; S125-S128 PolarHBondContact O-N 2.74Å; S125-T152 PolarHBondContact N-O 3.37Å; S125-T152 PolarHBondContact OG-O 3.04Å; S125-S153 WeakPolarHBondContact OG-CB 3.23Å; S125-S153 PolarHBondContact OG-N 3.44Å
126D97.6Very high97.7Very high44 Ų4448.2 Ų48.224%0.23527%0.267CS..G310 helixtrans-63.5-18.9174.264.5-72.2000113.6K124 S128 S153 K155 E156K124-D126 PolarHBondContact O-N 2.64Å; K124-D126 VanDerWaalsContact O-N 3.11Å; D126-S128 VanDerWaalsContact C-N 3.3Å; D126-S128 PolarHBondContact O-N 2.6Å; D126-S153 WeakPolarHBondContact CB-OG 3.48Å; D126-S153 VanDerWaalsContact CG-OG 3.23Å; D126-S153 WeakPolarHBondContact OD1-CB 3.33Å; D126-S153 PolarHBondContact OD1-OG 2.96Å; D126-K155 WeakPolarHBondContact OD2-CD 3.48Å; D126-K155 IonicContact OD2-NZ 2.9Å; D126-K155 PolarHBondContact OD2-NZ 3.46Å; D126-E156 HydrophobicContact CB-CG 3.56Å
127L97Very high97.9Very high58 Ų5851.2 Ų51.230%0.30429%0.285SS..G310 helixtrans-95.338.7176.2-58.6-179.4000112.3T92 K124 S125 A129 R130T92-L127 HydrophobicContact CG2-CB 3.53Å; T92-L127 HydrophobicContact CG2-CD1 4.07Å; T92-L127 HydrophobicContact CG2-CG 4.45Å; K124-L127 HydrophobicContact CB-CD1 4.3Å; K124-L127 HydrophobicContact CD-CD1 4.37Å; K124-L127 PolarHBondContact O-N 3.16Å; S125-L127 PolarHBondContact O-N 3.25Å; L127-A129 PolarHBondContact O-N 3.15Å; L127-R130 PolarHBondContact O-N 3.05Å
128S95.3Very high98Very high82 Ų8250.2 Ų50.257%0.57328%0.279SS*.G310 helixtrans-51.8-33.6-174.861.30000114.9S125 D126 R130 R131S125-S128 PolarHBondContact O-N 2.74Å; D126-S128 VanDerWaalsContact C-N 3.3Å; D126-S128 PolarHBondContact O-N 2.6Å; S128-R130 PolarHBondContact O-N 3.09Å; S128-R131 VanDerWaalsContact O-CB 3.29Å; S128-R131 WeakPolarHBondContact O-CB 3.42Å; S128-R131 PolarHBondContact O-N 2.9Å
129A97.3Very high98.1Very high104 Ų10456.7 Ų56.786%0.8631%0.305SS*.G310 helixtrans-67.7-16176.700000114.3L127L127-A129 PolarHBondContact O-N 3.15Å
130R97.4Very high98.1Very high176 Ų17663.7 Ų63.766%0.66434%0.338SS*.G310 helixtrans-110.915.3177.7-58.6-177.3-176.2179.71.2112.1T92 L127 S128 E132T92-R130 WeakPolarHBondContact CA-O 3.47Å; T92-R130 VanDerWaalsContact CB-O 3.25Å; T92-R130 WeakPolarHBondContact CB-O 2.89Å; T92-R130 HydrophobicContact CG2-CB 3.84Å; L127-R130 PolarHBondContact O-N 3.05Å; S128-R130 PolarHBondContact O-N 3.09Å; R130-E132 PolarHBondContact O-N 3.29Å
131R98.3Very high98Very high72 Ų7265.7 Ų65.727%0.27235%0.345SS..  trans-60128.2-179.5176.3-178.3-71.1-93.25.3110.3S128 V133 E151S128-R131 VanDerWaalsContact O-CB 3.29Å; S128-R131 WeakPolarHBondContact O-CB 3.42Å; S128-R131 PolarHBondContact O-N 2.9Å; R131-V133 WeakPolarHBondContact CD-O 3.41Å; R131-V133 VanDerWaalsContact CG-O 3.24Å; R131-V133 WeakPolarHBondContact CG-O 3.39Å; R131-V133 PolarHBondContact NH1-O 2.7Å; R131-E151 IonicContact CZ-OE1 2.64Å; R131-E151 IonicContact CZ-OE2 3.73Å; R131-E151 IonicContact NH1-OE1 3.6Å; R131-E151 PolarHBondContact NH1-OE1 2.91Å; R131-E151 IonicContact NH1-OE2 2.86Å; R131-E151 IonicContact NH2-OE1 3.2Å; R131-E151 PolarHBondContact NH2-OE1 2.75Å; R131-E151 IonicContact NH2-OE2 3.7Å; R131-E151 PolarHBondContact NH2-OE2 3.32Å
132E98.4Very high98Very high112 Ų11265.6 Ų65.652%0.52335%0.345SS..  trans-110-26.1173.4-62.1-173170.900111.4L91 N93 E94 R130L91-E132 PolarHBondContact O-N 3.1Å; N93-E132 WeakPolarHBondContact CA-OE2 3.38Å; E94-E132 HydrophobicContact CB-CB 4.21Å; E94-E132 PolarHBondContact N-OE2 3.13Å; R130-E132 PolarHBondContact O-N 3.29Å
133V98.4Very high98Very high6 Ų673.1 Ų73.14%0.03638%0.38CS..SBendtrans-108.1123.3-178.6-172.90000111F89 L91 F97 R131 A138F89-V133 HydrophobicContact CD2-CG2 4.4Å; F89-V133 HydrophobicContact CE2-CB 3.85Å; F89-V133 HydrophobicContact CE2-CG1 3.77Å; F89-V133 HydrophobicContact CE2-CG2 3.98Å; F89-V133 HydrophobicContact CZ-CG1 4.11Å; L91-V133 PolarHBondContact O-N 3.5Å; F97-V133 HydrophobicContact CB-CG1 4.39Å; F97-V133 HydrophobicContact CB-CG2 3.8Å; F97-V133 HydrophobicContact CD1-CG1 3.94Å; F97-V133 HydrophobicContact CD1-CG2 4.4Å; F97-V133 HydrophobicContact CD2-CG1 4.26Å; F97-V133 HydrophobicContact CE1-CG1 4.28Å; F97-V133 HydrophobicContact CG-CG1 3.93Å; F97-V133 HydrophobicContact CG-CG2 4.21Å; R131-V133 WeakPolarHBondContact CD-O 3.41Å; R131-V133 VanDerWaalsContact CG-O 3.24Å; R131-V133 WeakPolarHBondContact CG-O 3.39Å; R131-V133 PolarHBondContact NH1-O 2.7Å; V133-A138 HydrophobicContact CG1-CB 4.1Å
134Q98.1Very high97.9Very high119 Ų11976.8 Ų76.856%0.55641%0.406SS*.  trans-78.5138.6177.4-65.1-67.41400111.7S136 V137 A138Q134-S136 PolarHBondContact O-N 3.35Å; Q134-V137 HydrophobicContact CB-CG2 4.15Å; Q134-V137 PolarHBondContact O-N 3.04Å; Q134-V137 VanDerWaalsContact O-N 3.1Å; Q134-A138 PolarHBondContact O-N 3.12Å; Q134-A138 VanDerWaalsContact O-N 3.1Å
135A97.8Very high97.8Very high41 Ų4178 Ų7834%0.33941%0.411SS..Hα-helixtrans-56.8-37.9-179.100000112.6K139 Y149 E151A135-K139 WeakPolarHBondContact O-CB 3.42Å; A135-K139 PolarHBondContact O-N 2.81Å; A135-Y149 HydrophobicContact CB-CE1 4.3Å; A135-E151 WeakPolarHBondContact CB-OE1 3.37Å
136S98.2Very high97.7Very high85 Ų8579.2 Ų79.259%0.59443%0.427SS*.Hα-helixtrans-63.1-43.5177.951.80000112.5Q134 K139 E140Q134-S136 PolarHBondContact O-N 3.35Å; S136-K139 PolarHBondContact O-N 2.98Å; S136-E140 WeakPolarHBondContact O-CB 3.34Å; S136-E140 PolarHBondContact O-N 3.36Å
137V98.4Very high97.7Very high75 Ų7577.6 Ų77.646%0.45542%0.418SS..Hα-helixtrans-65.9-47.3179.7176.30000110.6F97 Q134 K139 E140 W141F97-V137 HydrophobicContact CE1-CG1 4Å; F97-V137 HydrophobicContact CZ-CG1 4.32Å; Q134-V137 HydrophobicContact CB-CG2 4.15Å; Q134-V137 PolarHBondContact O-N 3.04Å; Q134-V137 VanDerWaalsContact O-N 3.1Å; V137-K139 PolarHBondContact O-N 2.78Å; V137-E140 PolarHBondContact O-N 3.35Å; V137-W141 WeakPolarHBondContact O-CB 3.32Å; V137-W141 PolarHBondContact O-N 2.98Å
138A98.6Very high97.8Very high0 Ų079.6 Ų79.60%043%0.426CS..Hα-helixtrans-64.3-40.3178.200000112.2F89 F97 L120 V133 Q134 W141 A142 Y149F89-A138 HydrophobicContact CE1-CB 4.29Å; F89-A138 HydrophobicContact CZ-CB 3.8Å; F97-A138 HydrophobicContact CE2-CB 3.9Å; F97-A138 HydrophobicContact CZ-CB 4.25Å; L120-A138 HydrophobicContact CD2-CB 4.38Å; V133-A138 HydrophobicContact CG1-CB 4.1Å; Q134-A138 PolarHBondContact O-N 3.12Å; Q134-A138 VanDerWaalsContact O-N 3.1Å; A138-W141 PolarHBondContact O-N 2.9Å; A138-A142 WeakPolarHBondContact O-CB 3.21Å; A138-A142 PolarHBondContact O-N 2.94Å; A138-Y149 HydrophobicContact CB-CD2 4.2Å; A138-Y149 HydrophobicContact CB-CE1 4.03Å; A138-Y149 HydrophobicContact CB-CE2 3.59Å; A138-Y149 VanDerWaalsContact CB-CZ 3.45Å; A138-Y149 WeakPolarHBondContact CB-OH 3.26Å
139K98.6Very high97.9Very high141 Ų14177.2 Ų77.261%0.61341%0.405SS*.Hα-helixtrans-64.4-44.2176.6-173.2173.1-177.8174.30112.5A135 S136 V137 A142 H143 Y149A135-K139 WeakPolarHBondContact O-CB 3.42Å; A135-K139 PolarHBondContact O-N 2.81Å; S136-K139 PolarHBondContact O-N 2.98Å; V137-K139 PolarHBondContact O-N 2.78Å; K139-A142 PolarHBondContact O-N 3Å; K139-H143 WeakPolarHBondContact O-CB 3.25Å; K139-H143 PolarHBondContact O-N 2.97Å; K139-Y149 HydrophobicContact CB-CD1 3.74Å; K139-Y149 HydrophobicContact CB-CE1 4.43Å; K139-Y149 HydrophobicContact CB-CG 4.29Å; K139-Y149 HydrophobicContact CG-CD1 4.34Å
140E98.7Very high98Very high149 Ų14973.1 Ų73.170%0.69637%0.368SS*.Hα-helixtrans-63.7-44.1177.2-176173.7-170.800111.3S136 V137 H143 S144S136-E140 WeakPolarHBondContact O-CB 3.34Å; S136-E140 PolarHBondContact O-N 3.36Å; V137-E140 PolarHBondContact O-N 3.35Å; E140-H143 PolarHBondContact O-N 3.32Å; E140-S144 PolarHBondContact O-N 2.87Å
141W98.6Very high98.1Very high41 Ų4166.7 Ų66.716%0.15535%0.345CS..Hα-helixtrans-61.4-46.6175.4-175.897.1000111.6L87 F97 C100 T101 M104 L120 V137 A138 H143 S144 K145 L147L87-W141 HydrophobicContact CD2-CH2 3.92Å; L87-W141 HydrophobicContact CD2-CZ3 4.33Å; F97-W141 HydrophobicContact CE2-CB 4.3Å; F97-W141 HydrophobicContact CE2-CD2 4.33Å; F97-W141 HydrophobicContact CE2-CE3 4.41Å; F97-W141 HydrophobicContact CE2-CG 4.31Å; F97-W141 HydrophobicContact CZ-CB 3.76Å; F97-W141 HydrophobicContact CZ-CD2 4.39Å; F97-W141 AromaticContact CZ-CG 3.92Å; F97-W141 HydrophobicContact CZ-CG 3.92Å; C100-W141 HydrophobicContact CB-CH2 3.53Å; C100-W141 HydrophobicContact CB-CZ2 3.8Å; C100-W141 HydrophobicContact CB-CZ3 4.16Å; T101-W141 PolarHBondContact OG1-NE1 3.2Å; M104-W141 HydrophobicContact CG-CH2 3.68Å; M104-W141 HydrophobicContact CG-CZ2 4.21Å; L120-W141 HydrophobicContact CD1-CE3 4.47Å; L120-W141 HydrophobicContact CD1-CZ3 3.9Å; L120-W141 HydrophobicContact CD2-CE3 3.73Å; L120-W141 HydrophobicContact CD2-CZ3 3.97Å; L120-W141 HydrophobicContact CG-CZ3 4.39Å; V137-W141 WeakPolarHBondContact O-CB 3.32Å; V137-W141 PolarHBondContact O-N 2.98Å; A138-W141 PolarHBondContact O-N 2.9Å; W141-H143 VanDerWaalsContact C-N 3.34Å; W141-H143 PolarHBondContact O-N 3.09Å; W141-S144 WeakPolarHBondContact O-CB 3.36Å; W141-S144 PolarHBondContact O-N 3.3Å; W141-S144 VanDerWaalsContact O-N 3.15Å; W141-S144 PolarHBondContact O-OG 3.23Å; W141-K145 HydrophobicContact CD2-CG 4.24Å; W141-K145 HydrophobicContact CE3-CG 4.23Å; W141-K145 HydrophobicContact CH2-CG 4.04Å; W141-K145 HydrophobicContact CZ2-CG 4.04Å; W141-K145 HydrophobicContact CZ3-CG 4.13Å; W141-K145 WeakPolarHBondContact O-CG 3.48Å; W141-K145 PolarHBondContact O-N 3.27Å; W141-L147 HydrophobicContact CZ3-CD1 4.18Å
142A98.6Very high98Very high0 Ų063.3 Ų63.30%033%0.332CS..Hα-helixtrans-58.6-47.1178.800000111.2L120 A138 K139 S144 K145 G146 L147L120-A142 HydrophobicContact CB-CB 3.9Å; L120-A142 HydrophobicContact CD2-CB 3.91Å; A138-A142 WeakPolarHBondContact O-CB 3.21Å; A138-A142 PolarHBondContact O-N 2.94Å; K139-A142 PolarHBondContact O-N 3Å; A142-S144 VanDerWaalsContact C-N 3.32Å; A142-S144 PolarHBondContact O-N 2.82Å; A142-K145 CarbonylContact O-C 3.58Å; A142-K145 WeakPolarHBondContact O-CA 3.38Å; A142-K145 PolarHBondContact O-N 2.84Å; A142-G146 PolarHBondContact O-N 2.83Å; A142-G146 VanDerWaalsContact O-N 3.16Å; A142-L147 CarbonylContact C-O 3.51Å; A142-L147 VanDerWaalsContact C-O 3.26Å; A142-L147 HydrophobicContact CB-CB 4.17Å; A142-L147 WeakPolarHBondContact CB-O 3.34Å; A142-L147 PolarHBondContact O-N 2.91Å
143H97.6Very high98Very high157 Ų15758 Ų5873%0.72731%0.308SS*.Hα-helixtrans-58.6-42.2176.5-178.9-92.3000112.1K139 E140 W141 K145 G146K139-H143 WeakPolarHBondContact O-CB 3.25Å; K139-H143 PolarHBondContact O-N 2.97Å; E140-H143 PolarHBondContact O-N 3.32Å; W141-H143 VanDerWaalsContact C-N 3.34Å; W141-H143 PolarHBondContact O-N 3.09Å; H143-K145 PolarHBondContact O-N 3.06Å; H143-K145 VanDerWaalsContact O-N 3.12Å; H143-G146 PolarHBondContact O-N 3.32Å
144S97.1Very high97.8Very high80 Ų8057.9 Ų57.956%0.55931%0.307SS*.Hα-helixtrans-61.7-20176.582.80000114E140 W141 A142E140-S144 PolarHBondContact O-N 2.87Å; W141-S144 WeakPolarHBondContact O-CB 3.36Å; W141-S144 PolarHBondContact O-N 3.3Å; W141-S144 VanDerWaalsContact O-N 3.15Å; W141-S144 PolarHBondContact O-OG 3.23Å; A142-S144 VanDerWaalsContact C-N 3.32Å; A142-S144 PolarHBondContact O-N 2.82Å
145K96.3Very high97.5Very high76 Ų7657.1 Ų57.133%0.3330%0.302SS..THydrogen-bonded Turntrans-102.91.2178.5-59.2-56.6179.7-1800113.4M104 H115 W141 A142 H143 L147M104-K145 HydrophobicContact CE-CB 4.19Å; H115-K145 PolarHBondContact CE1-O 3.4Å; W141-K145 HydrophobicContact CD2-CG 4.24Å; W141-K145 HydrophobicContact CE3-CG 4.23Å; W141-K145 HydrophobicContact CH2-CG 4.04Å; W141-K145 HydrophobicContact CZ2-CG 4.04Å; W141-K145 HydrophobicContact CZ3-CG 4.13Å; W141-K145 WeakPolarHBondContact O-CG 3.48Å; W141-K145 PolarHBondContact O-N 3.27Å; A142-K145 CarbonylContact O-C 3.58Å; A142-K145 WeakPolarHBondContact O-CA 3.38Å; A142-K145 PolarHBondContact O-N 2.84Å; H143-K145 PolarHBondContact O-N 3.06Å; H143-K145 VanDerWaalsContact O-N 3.12Å; K145-L147 VanDerWaalsContact C-N 3.35Å; K145-L147 HydrophobicContact CB-CD1 4.24Å; K145-L147 HydrophobicContact CB-CG 4.12Å
146G95.1Very high97.3Very high46 Ų4660.7 Ų60.747%0.47431%0.312SS..THydrogen-bonded Turntrans71.728-175.500000113.5A142 H143A142-G146 PolarHBondContact O-N 2.83Å; A142-G146 VanDerWaalsContact O-N 3.16Å; H143-G146 PolarHBondContact O-N 3.32Å
147L98.2Very high97Very high9 Ų960 Ų605%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-108.3143.5177.6-54.7177.6000110.5M104 G118 L120 W141 A142 K145M104-L147 HydrophobicContact SD-CD1 3.94Å; G118-L147 WeakPolarHBondContact O-CA 3.49Å; L120-L147 HydrophobicContact CB-CD1 4.33Å; W141-L147 HydrophobicContact CZ3-CD1 4.18Å; A142-L147 CarbonylContact C-O 3.51Å; A142-L147 VanDerWaalsContact C-O 3.26Å; A142-L147 HydrophobicContact CB-CB 4.17Å; A142-L147 WeakPolarHBondContact CB-O 3.34Å; A142-L147 PolarHBondContact O-N 2.91Å; K145-L147 VanDerWaalsContact C-N 3.35Å; K145-L147 HydrophobicContact CB-CD1 4.24Å; K145-L147 HydrophobicContact CB-CG 4.12Å
148E98.3Very high96.8Very high100 Ų10060.9 Ų60.947%0.46730%0.302SS..EExtended strand (participates in β ladder)trans-78.2150.4165.2-167.5176.4173.100110.1G118 V119 L120 H150 S166G118-E148 PolarHBondContact O-N 3.31Å; G118-E148 VanDerWaalsContact O-N 3.09Å; V119-E148 CarbonylContact C-O 3.56Å; V119-E148 VanDerWaalsContact CA-O 3.25Å; V119-E148 WeakPolarHBondContact CA-O 3.29Å; V119-E148 HydrophobicContact CG1-CB 4.27Å; L120-E148 PolarHBondContact N-O 2.79Å; E148-H150 IonicContact OE1-CE1 2.71Å; E148-H150 PolarHBondContact OE1-CE1 3Å; E148-H150 IonicContact OE1-NE2 3.25Å; E148-H150 IonicContact OE2-NE2 3.95Å; E148-S166 PolarHBondContact OE1-OG 3.11Å; E148-S166 WeakPolarHBondContact OE2-CB 3.37Å; E148-S166 PolarHBondContact OE2-OG 3.05Å
149Y98.8Very high96.7Very high33 Ų3364.3 Ų64.313%0.12932%0.321CS..EExtended strand (participates in β ladder)trans-114.3131.1-177.6177.5-118.1000112.3F89 L120 A135 A138 K139 E151F89-Y149 AromaticContact CE1-CE2 3.87Å; F89-Y149 HydrophobicContact CE1-CE2 3.87Å; F89-Y149 HydrophobicContact CZ-CE2 4.01Å; L120-Y149 HydrophobicContact CB-CD2 4.17Å; L120-Y149 HydrophobicContact CD2-CD2 3.83Å; L120-Y149 HydrophobicContact CD2-CE2 4.18Å; L120-Y149 HydrophobicContact CG-CD2 4.04Å; L120-Y149 HydrophobicContact CG-CE2 4.42Å; L120-Y149 WeakPolarHBondContact O-CA 3.3Å; L120-Y149 WeakPolarHBondContact O-CD2 3.48Å; A135-Y149 HydrophobicContact CB-CE1 4.3Å; A138-Y149 HydrophobicContact CB-CD2 4.2Å; A138-Y149 HydrophobicContact CB-CE1 4.03Å; A138-Y149 HydrophobicContact CB-CE2 3.59Å; A138-Y149 VanDerWaalsContact CB-CZ 3.45Å; A138-Y149 WeakPolarHBondContact CB-OH 3.26Å; K139-Y149 HydrophobicContact CB-CD1 3.74Å; K139-Y149 HydrophobicContact CB-CE1 4.43Å; K139-Y149 HydrophobicContact CB-CG 4.29Å; K139-Y149 HydrophobicContact CG-CD1 4.34Å; Y149-E151 HydrophobicContact CE1-CG 3.92Å; Y149-E151 HydrophobicContact CE2-CG 4.48Å; Y149-E151 WeakPolarHBondContact OH-CG 3.46Å; Y149-E151 PolarHBondContact OH-OE1 3.21Å
150H98.6Very high96.5Very high18 Ų1857.8 Ų57.88%0.08329%0.293CS..EExtended strand (participates in β ladder)trans-132.2148.2172.8-54.1-87.6000110.8L120 V121 G122 E148 P163 S166L120-H150 PolarHBondContact O-N 2.91Å; V121-H150 CarbonylContact C-O 3.47Å; V121-H150 WeakPolarHBondContact CA-O 3.45Å; G122-H150 PolarHBondContact N-O 3.16Å; E148-H150 IonicContact OE1-CE1 2.71Å; E148-H150 PolarHBondContact OE1-CE1 3Å; E148-H150 IonicContact OE1-NE2 3.25Å; E148-H150 IonicContact OE2-NE2 3.95Å; H150-P163 HydrophobicContact CB-CG 3.83Å; H150-S166 PolarHBondContact CE1-OG 3.01Å; H150-S166 WeakPolarHBondContact NE2-CB 3.5Å; H150-S166 PolarHBondContact NE2-OG 3.21Å; H150-S166 VanDerWaalsContact NE2-OG 3.11Å
151E98.6Very high96.2Very high41 Ų4156 Ų5619%0.19229%0.288CS..EExtended strand (participates in β ladder)trans-104.6140.1164.7-67.4-169.3171.600110L91 G122 R131 A135 Y149 N159L91-E151 HydrophobicContact CD1-CB 4.27Å; L91-E151 HydrophobicContact CD1-CG 4.07Å; L91-E151 HydrophobicContact CD2-CG 4.35Å; G122-E151 CarbonylContact O-C 3.59Å; G122-E151 VanDerWaalsContact O-CA 3.23Å; G122-E151 WeakPolarHBondContact O-CA 3.48Å; R131-E151 IonicContact CZ-OE1 2.64Å; R131-E151 IonicContact CZ-OE2 3.73Å; R131-E151 IonicContact NH1-OE1 3.6Å; R131-E151 PolarHBondContact NH1-OE1 2.91Å; R131-E151 IonicContact NH1-OE2 2.86Å; R131-E151 IonicContact NH2-OE1 3.2Å; R131-E151 PolarHBondContact NH2-OE1 2.75Å; R131-E151 IonicContact NH2-OE2 3.7Å; R131-E151 PolarHBondContact NH2-OE2 3.32Å; A135-E151 WeakPolarHBondContact CB-OE1 3.37Å; Y149-E151 HydrophobicContact CE1-CG 3.92Å; Y149-E151 HydrophobicContact CE2-CG 4.48Å; Y149-E151 WeakPolarHBondContact OH-CG 3.46Å; Y149-E151 PolarHBondContact OH-OE1 3.21Å; E151-N159 WeakPolarHBondContact O-CB 3.45Å; E151-N159 PolarHBondContact O-ND2 3.17Å
152T98.1Very high96.1Very high0 Ų055.3 Ų55.30%029%0.291CS..EExtended strand (participates in β ladder)trans-136.1155-177.9620000111.6V121 G122 N123 K124 S125 D158 P163V121-T152 HydrophobicContact CG1-CG2 3.74Å; V121-T152 VanDerWaalsContact CG1-OG1 3.29Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.42Å; G122-T152 PolarHBondContact O-N 2.81Å; N123-T152 CarbonylContact C-O 3.51Å; N123-T152 VanDerWaalsContact CA-O 3.3Å; N123-T152 WeakPolarHBondContact CA-O 3.24Å; N123-T152 PolarHBondContact OD1-O 3.49Å; N123-T152 PolarHBondContact OD1-OG1 3.22Å; K124-T152 PolarHBondContact N-O 2.87Å; S125-T152 PolarHBondContact N-O 3.37Å; S125-T152 PolarHBondContact OG-O 3.04Å; T152-D158 WeakPolarHBondContact CA-O 3.48Å; T152-P163 HydrophobicContact CG2-CG 3.84Å
153S97Very high96.1Very high1 Ų155.4 Ų55.41%0.00729%0.291CS..BIsolated β-bridgetrans-120.4107.9157.9177.70000109.3S125 D126 K155 E156 M157 D158S125-S153 WeakPolarHBondContact OG-CB 3.23Å; S125-S153 PolarHBondContact OG-N 3.44Å; D126-S153 WeakPolarHBondContact CB-OG 3.48Å; D126-S153 VanDerWaalsContact CG-OG 3.23Å; D126-S153 WeakPolarHBondContact OD1-CB 3.33Å; D126-S153 PolarHBondContact OD1-OG 2.96Å; S153-K155 PolarHBondContact O-N 2.86Å; S153-K155 PolarHBondContact OG-N 2.93Å; S153-E156 PolarHBondContact O-N 3.31Å; S153-E156 PolarHBondContact OG-N 3.23Å; S153-M157 CarbonylContact O-C 3.53Å; S153-M157 VanDerWaalsContact O-CA 3.23Å; S153-M157 WeakPolarHBondContact O-CA 3.2Å; S153-M157 PolarHBondContact O-N 3.5Å; S153-D158 PolarHBondContact N-O 3.02Å; S153-D158 PolarHBondContact O-N 3Å
154A93.8Very high96Very high3 Ų348 Ų483%0.02526%0.257CS..THydrogen-bonded Turntrans-59.6-32.8168.500000111.8C20 L21 I24 F32 N123C20-A154 HydrophobicContact CB-CB 3.75Å; L21-A154 HydrophobicContact CD2-CB 3.92Å; L21-A154 HydrophobicContact CG-CB 4.17Å; I24-A154 HydrophobicContact CD1-CB 3.52Å; I24-A154 WeakPolarHBondContact CD1-O 3.07Å; F32-A154 HydrophobicContact CD2-CB 4.47Å; F32-A154 WeakPolarHBondContact CD2-O 3.3Å; F32-A154 HydrophobicContact CE2-CB 4Å; N123-A154 PolarHBondContact OD1-N 2.86Å
155K92.9Very high96Very high104 Ų10447 Ų4745%0.45225%0.245SC..THydrogen-bonded Turntrans-69.9-43.8-177.5177.2165.4149.6-75.60112.5F32 D126 S153F32-K155 HydrophobicContact CE2-CB 4.24Å; F32-K155 HydrophobicContact CZ-CB 4.12Å; D126-K155 WeakPolarHBondContact OD2-CD 3.48Å; D126-K155 IonicContact OD2-NZ 2.9Å; D126-K155 PolarHBondContact OD2-NZ 3.46Å; S153-K155 PolarHBondContact O-N 2.86Å; S153-K155 PolarHBondContact OG-N 2.93Å
156E93.6Very high96.1Very high116 Ų11643.9 Ų43.954%0.54223%0.233SC..THydrogen-bonded Turntrans-94.50.3-179.9-55.4-57.3144.800112.6D126 S153 D158D126-E156 HydrophobicContact CB-CG 3.56Å; S153-E156 PolarHBondContact O-N 3.31Å; S153-E156 PolarHBondContact OG-N 3.23Å; E156-D158 HydrophobicContact CB-CB 4.44Å; E156-D158 PolarHBondContact O-N 2.62Å
157M92.1Very high96.3Very high71 Ų7141.8 Ų41.835%0.3521%0.211SC..THydrogen-bonded Turntrans56.228.6-173.7-58.3172-178.600113I24 G29 F32 S153I24-M157 HydrophobicContact CD1-CG 4.43Å; G29-M157 WeakPolarHBondContact O-CE 3.46Å; F32-M157 HydrophobicContact CB-CE 4.32Å; S153-M157 CarbonylContact O-C 3.53Å; S153-M157 VanDerWaalsContact O-CA 3.23Å; S153-M157 WeakPolarHBondContact O-CA 3.2Å; S153-M157 PolarHBondContact O-N 3.5Å
158D94.8Very high96.3Very high93 Ų9341.3 Ų41.350%0.49721%0.209SC..BIsolated β-bridgetrans-82.9130.3-177.5-174.337000110.5T152 S153 E156 C160T152-D158 WeakPolarHBondContact CA-O 3.48Å; S153-D158 PolarHBondContact N-O 3.02Å; S153-D158 PolarHBondContact O-N 3Å; E156-D158 HydrophobicContact CB-CB 4.44Å; E156-D158 PolarHBondContact O-N 2.62Å; D158-C160 PolarHBondContact O-N 3.03Å; D158-C160 PolarHBondContact O-SG 3.27Å
159N95.2Very high96.2Very high72 Ų7240.2 Ų40.239%0.38520%0.203SC..THydrogen-bonded Turntrans53.820.2176.1-161.440.2000116E151 D161 A162 P163E151-N159 WeakPolarHBondContact O-CB 3.45Å; E151-N159 PolarHBondContact O-ND2 3.17Å; N159-D161 VanDerWaalsContact C-N 3.33Å; N159-D161 PolarHBondContact O-N 3.11Å; N159-A162 PolarHBondContact O-N 2.78Å; N159-A162 WeakPolarHBondContact OD1-CB 3.44Å; N159-P163 VanDerWaalsContact O-CD 3.24Å; N159-P163 WeakPolarHBondContact O-CD 3.44Å
160C94.1Very high96.2Very high4 Ų440.6 Ų40.63%0.02721%0.211CC..THydrogen-bonded Turntrans-70.5-24.3-173.8-71.60000114I24 F25 D158 P163I24-C160 HydrophobicContact CG2-CB 4.06Å; F25-C160 HydrophobicContact CE1-CB 4.16Å; F25-C160 WeakPolarHBondContact CE1-O 3.32Å; D158-C160 PolarHBondContact O-N 3.03Å; D158-C160 PolarHBondContact O-SG 3.27Å; C160-P163 WeakPolarHBondContact O-CD 3.45Å
161D93.7Very high96.1Very high112 Ų11241.5 Ų41.560%0.59921%0.214SC*.Hα-helixtrans-79.1-25.3178.7-68.5-31.4000113.2N159 L164 L165N159-D161 VanDerWaalsContact C-N 3.33Å; N159-D161 PolarHBondContact O-N 3.11Å; D161-L164 WeakPolarHBondContact O-CB 3.43Å; D161-L164 PolarHBondContact O-N 3.24Å; D161-L164 VanDerWaalsContact O-N 3.16Å; D161-L165 PolarHBondContact O-N 3.22Å
162A96.4Very high96.1Very high26 Ų2641.3 Ų41.322%0.21521%0.212CC..Hα-helixtrans-60.9-47.2-175.300000113.1N159 L164 L165 S166N159-A162 PolarHBondContact O-N 2.78Å; N159-A162 WeakPolarHBondContact OD1-CB 3.44Å; A162-L164 VanDerWaalsContact C-N 3.27Å; A162-L164 PolarHBondContact O-N 3.09Å; A162-L165 PolarHBondContact O-N 3.24Å; A162-S166 PolarHBondContact O-N 3.33Å; A162-S166 PolarHBondContact O-OG 3.45Å
163P97.9Very high96Very high1 Ų144.2 Ų44.21%0.00623%0.233CC..Hα-helixtrans-56.7-38.3174.2-2330.1000113.6V119 V121 H150 T152 N159 C160 L167V119-P163 HydrophobicContact CG2-CB 4.16Å; V121-P163 HydrophobicContact CG2-CB 3.96Å; V121-P163 HydrophobicContact CG2-CG 3.97Å; H150-P163 HydrophobicContact CB-CG 3.83Å; T152-P163 HydrophobicContact CG2-CG 3.84Å; N159-P163 VanDerWaalsContact O-CD 3.24Å; N159-P163 WeakPolarHBondContact O-CD 3.44Å; C160-P163 WeakPolarHBondContact O-CD 3.45Å; P163-L167 WeakPolarHBondContact O-CB 3.25Å; P163-L167 WeakPolarHBondContact O-CD1 2.97Å; P163-L167 WeakPolarHBondContact O-CG 3.22Å; P163-L167 PolarHBondContact O-N 2.89Å
164L96.3Very high95.9Very high1 Ų147.1 Ų47.11%0.00525%0.248CC..Hα-helixtrans-68.3-40.5179.6-65.1178.8000111.9F25 K47 I49 L60 I62 D161 A162 L167 A168F25-L164 HydrophobicContact CB-CD1 3.9Å; F25-L164 HydrophobicContact CD1-CD1 3.55Å; F25-L164 HydrophobicContact CD1-CD2 4.38Å; F25-L164 HydrophobicContact CD1-CG 4.04Å; F25-L164 HydrophobicContact CD2-CD1 4.25Å; F25-L164 HydrophobicContact CD2-CD2 3.73Å; F25-L164 HydrophobicContact CD2-CG 4.29Å; F25-L164 HydrophobicContact CE1-CD1 4.1Å; F25-L164 HydrophobicContact CE1-CD2 4.47Å; F25-L164 HydrophobicContact CE1-CG 4.1Å; F25-L164 HydrophobicContact CE2-CD2 3.82Å; F25-L164 HydrophobicContact CE2-CG 4.33Å; F25-L164 HydrophobicContact CG-CD1 3.65Å; F25-L164 HydrophobicContact CG-CD2 4.02Å; F25-L164 HydrophobicContact CG-CG 4.14Å; F25-L164 HydrophobicContact CZ-CD2 4.2Å; F25-L164 HydrophobicContact CZ-CG 4.23Å; K47-L164 HydrophobicContact CG-CD1 4.28Å; I49-L164 HydrophobicContact CD1-CB 3.99Å; I49-L164 HydrophobicContact CD1-CD1 4.24Å; I49-L164 HydrophobicContact CG1-CB 4.33Å; L60-L164 HydrophobicContact CD1-CB 4.32Å; L60-L164 HydrophobicContact CD1-CD2 3.98Å; I62-L164 HydrophobicContact CD1-CD2 3.66Å; D161-L164 WeakPolarHBondContact O-CB 3.43Å; D161-L164 PolarHBondContact O-N 3.24Å; D161-L164 VanDerWaalsContact O-N 3.16Å; A162-L164 VanDerWaalsContact C-N 3.27Å; A162-L164 PolarHBondContact O-N 3.09Å; L164-L167 PolarHBondContact O-N 3.12Å; L164-A168 WeakPolarHBondContact O-CB 3.37Å; L164-A168 PolarHBondContact O-N 2.81Å
165L97.3Very high95.9Very high60 Ų6049.6 Ų49.631%0.31426%0.257SS..Hα-helixtrans-64.1-46.6176.7-17960000110.9I49 P52 D161 A162 L167 A168 Q169I49-L165 HydrophobicContact CG2-CD1 4.12Å; P52-L165 HydrophobicContact CG-CD1 3.96Å; D161-L165 PolarHBondContact O-N 3.22Å; A162-L165 PolarHBondContact O-N 3.24Å; L165-L167 VanDerWaalsContact C-N 3.35Å; L165-L167 PolarHBondContact O-N 3.03Å; L165-A168 PolarHBondContact O-N 3.34Å; L165-Q169 HydrophobicContact CD1-CG 4.14Å; L165-Q169 HydrophobicContact CG-CG 4.41Å; L165-Q169 WeakPolarHBondContact O-CB 3.47Å; L165-Q169 WeakPolarHBondContact O-CG 3.44Å; L165-Q169 PolarHBondContact O-N 2.99Å
166S98.2Very high96.1Very high11 Ų1146.7 Ų46.78%0.07725%0.245CC..Hα-helixtrans-59.6-43.1176.5-72.70000112.6E148 H150 A162 Q169 S170E148-S166 PolarHBondContact OE1-OG 3.11Å; E148-S166 WeakPolarHBondContact OE2-CB 3.37Å; E148-S166 PolarHBondContact OE2-OG 3.05Å; H150-S166 PolarHBondContact CE1-OG 3.01Å; H150-S166 WeakPolarHBondContact NE2-CB 3.5Å; H150-S166 PolarHBondContact NE2-OG 3.21Å; H150-S166 VanDerWaalsContact NE2-OG 3.11Å; A162-S166 PolarHBondContact O-N 3.33Å; A162-S166 PolarHBondContact O-OG 3.45Å; S166-Q169 PolarHBondContact O-N 2.86Å; S166-S170 VanDerWaalsContact O-CB 3.25Å; S166-S170 WeakPolarHBondContact O-CB 3.24Å; S166-S170 PolarHBondContact O-N 3.12Å
167L98.3Very high96.1Very high1 Ų146.3 Ų46.31%0.00524%0.243CC..Hα-helixtrans-59.5-46.7173.5-76.8166.9000112.4L60 L84 C86 V119 P163 L164 L165 F171L60-L167 HydrophobicContact CD1-CB 4.19Å; L60-L167 HydrophobicContact CD2-CB 4.47Å; L84-L167 HydrophobicContact CB-CD2 3.96Å; L84-L167 HydrophobicContact CD1-CB 4.16Å; L84-L167 HydrophobicContact CD1-CD2 4.2Å; L84-L167 HydrophobicContact CD2-CD2 4.35Å; L84-L167 HydrophobicContact CG-CD2 4.41Å; C86-L167 HydrophobicContact CB-CD1 4.2Å; V119-L167 HydrophobicContact CG1-CD2 4.24Å; V119-L167 HydrophobicContact CG1-CG 3.98Å; V119-L167 HydrophobicContact CG2-CD1 3.95Å; V119-L167 HydrophobicContact CG2-CD2 4.08Å; V119-L167 HydrophobicContact CG2-CG 3.91Å; P163-L167 WeakPolarHBondContact O-CB 3.25Å; P163-L167 WeakPolarHBondContact O-CD1 2.97Å; P163-L167 WeakPolarHBondContact O-CG 3.22Å; P163-L167 PolarHBondContact O-N 2.89Å; L164-L167 PolarHBondContact O-N 3.12Å; L165-L167 VanDerWaalsContact C-N 3.35Å; L165-L167 PolarHBondContact O-N 3.03Å; L167-F171 PolarHBondContact O-N 2.84Å; L167-F171 VanDerWaalsContact O-N 3.11Å
168A98Very high96.1Very high0 Ų048.3 Ų48.30%025%0.252CS..Hα-helixtrans-65.4-44.2179.400000111.9I49 I51 V58 L164 L165 F171 Y172I49-A168 HydrophobicContact CB-CB 3.78Å; I49-A168 HydrophobicContact CG1-CB 4.33Å; I49-A168 HydrophobicContact CG2-CB 3.67Å; I51-A168 HydrophobicContact CD1-CB 3.92Å; V58-A168 HydrophobicContact CB-CB 3.98Å; V58-A168 HydrophobicContact CG2-CB 4.16Å; L164-A168 WeakPolarHBondContact O-CB 3.37Å; L164-A168 PolarHBondContact O-N 2.81Å; L165-A168 PolarHBondContact O-N 3.34Å; A168-F171 PolarHBondContact O-N 3.37Å; A168-Y172 VanDerWaalsContact O-CB 3.29Å; A168-Y172 WeakPolarHBondContact O-CB 3.37Å; A168-Y172 PolarHBondContact O-N 2.57Å
169Q97.7Very high95.9Very high76 Ų7647.8 Ų47.836%0.35524%0.243SC..Hα-helixtrans-63.5-45.1176.9-74.7177-33.400111.5I51 L165 S166 F171 Y172 S173I51-Q169 HydrophobicContact CD1-CG 4.49Å; L165-Q169 HydrophobicContact CD1-CG 4.14Å; L165-Q169 HydrophobicContact CG-CG 4.41Å; L165-Q169 WeakPolarHBondContact O-CB 3.47Å; L165-Q169 WeakPolarHBondContact O-CG 3.44Å; L165-Q169 PolarHBondContact O-N 2.99Å; S166-Q169 PolarHBondContact O-N 2.86Å; Q169-F171 PolarHBondContact O-N 2.94Å; Q169-Y172 PolarHBondContact O-N 3.44Å; Q169-S173 PolarHBondContact O-N 3.24Å; Q169-S173 PolarHBondContact O-OG 3.1Å
170S97.1Very high95.8Very high41 Ų4149.6 Ų49.629%0.28725%0.249SC..Hα-helixtrans-57.4-47.1176.9-1780000111.8S166 S173 L174S166-S170 VanDerWaalsContact O-CB 3.25Å; S166-S170 WeakPolarHBondContact O-CB 3.24Å; S166-S170 PolarHBondContact O-N 3.12Å; S170-S173 PolarHBondContact O-N 2.67Å; S170-L174 PolarHBondContact O-N 3.34Å
171F97.8Very high95.6Very high37 Ų3754.1 Ų54.116%0.16227%0.272CS..Hα-helixtrans-66.3-40177.1-168.7-108.7000112.9L4 A6 V58 L84 L167 A168 Q169 S173 L174 Y175L4-F171 HydrophobicContact CB-CD1 4.24Å; L4-F171 HydrophobicContact CB-CE1 4.01Å; L4-F171 HydrophobicContact CD1-CD1 4.19Å; L4-F171 HydrophobicContact CD1-CE1 4.34Å; A6-F171 HydrophobicContact CB-CB 4.4Å; A6-F171 HydrophobicContact CB-CD1 3.7Å; A6-F171 HydrophobicContact CB-CD2 3.87Å; A6-F171 HydrophobicContact CB-CE1 3.81Å; A6-F171 HydrophobicContact CB-CE2 4.01Å; A6-F171 HydrophobicContact CB-CG 3.71Å; A6-F171 HydrophobicContact CB-CZ 3.97Å; V58-F171 HydrophobicContact CG1-CD1 4.08Å; L84-F171 HydrophobicContact CD1-CB 4.08Å; L84-F171 HydrophobicContact CD2-CB 4.12Å; L84-F171 HydrophobicContact CD2-CD2 4.43Å; L84-F171 HydrophobicContact CG-CB 4.41Å; L84-F171 HydrophobicContact CG-CD2 4.4Å; L167-F171 PolarHBondContact O-N 2.84Å; L167-F171 VanDerWaalsContact O-N 3.11Å; A168-F171 PolarHBondContact O-N 3.37Å; Q169-F171 PolarHBondContact O-N 2.94Å; F171-S173 VanDerWaalsContact C-N 3.35Å; F171-L174 PolarHBondContact O-N 2.96Å; F171-Y175 PolarHBondContact O-N 2.98Å
172Y97.7Very high95.3Very high37 Ų3755.2 Ų55.215%0.14528%0.275CS..Hα-helixtrans-63.6-40.6177.5-179.7-101.3000111.8L4 I51 D56 A168 Q169 Y175 Q176L4-Y172 HydrophobicContact CD1-CD2 3.84Å; I51-Y172 HydrophobicContact CD1-CG 4.27Å; I51-Y172 HydrophobicContact CG1-CD1 4.46Å; I51-Y172 HydrophobicContact CG1-CD2 4.01Å; I51-Y172 HydrophobicContact CG1-CG 3.95Å; I51-Y172 HydrophobicContact CG2-CD1 3.89Å; I51-Y172 HydrophobicContact CG2-CE1 3.97Å; I51-Y172 HydrophobicContact CG2-CG 4.24Å; D56-Y172 HydrophobicContact CB-CD2 4.45Å; D56-Y172 HydrophobicContact CB-CE2 3.66Å; D56-Y172 WeakPolarHBondContact OD2-CE2 3.38Å; D56-Y172 PolarHBondContact OD2-OH 2.82Å; A168-Y172 VanDerWaalsContact O-CB 3.29Å; A168-Y172 WeakPolarHBondContact O-CB 3.37Å; A168-Y172 PolarHBondContact O-N 2.57Å; Q169-Y172 PolarHBondContact O-N 3.44Å; Y172-Y175 HydrophobicContact CD2-CD1 4.43Å; Y172-Y175 HydrophobicContact CE2-CD1 4.48Å; Y172-Y175 WeakPolarHBondContact O-CB 3.44Å; Y172-Y175 PolarHBondContact O-N 3.06Å; Y172-Q176 HydrophobicContact CD1-CG 4.28Å; Y172-Q176 HydrophobicContact CE1-CG 3.92Å; Y172-Q176 WeakPolarHBondContact O-CG 3.17Å; Y172-Q176 PolarHBondContact O-N 2.88Å; Y172-Q176 PolarHBondContact OH-NE2 2.97Å
173S96.1Very high94.9Very high62 Ų6260.3 Ų60.343%0.43429%0.294SS..Hα-helixtrans-60.4-46.3174.7-690000112Q169 S170 F171 Y175 Q176 E177Q169-S173 PolarHBondContact O-N 3.24Å; Q169-S173 PolarHBondContact O-OG 3.1Å; S170-S173 PolarHBondContact O-N 2.67Å; F171-S173 VanDerWaalsContact C-N 3.35Å; S173-Y175 VanDerWaalsContact C-N 3.26Å; S173-Y175 PolarHBondContact O-N 2.9Å; S173-Q176 PolarHBondContact O-N 2.87Å; S173-Q176 VanDerWaalsContact O-N 3.09Å; S173-E177 WeakPolarHBondContact O-CG 3.27Å; S173-E177 PolarHBondContact O-N 3.26Å
174L94.6Very high94.2Very high62 Ų6266.8 Ų66.833%0.32533%0.329SS..Hα-helixtrans-59.1-38.6175-71179.3000112.6P117 S170 F171 Q178P117-L174 HydrophobicContact CG-CD1 3.8Å; S170-L174 PolarHBondContact O-N 3.34Å; F171-L174 PolarHBondContact O-N 2.96Å; L174-Q178 WeakPolarHBondContact O-CB 3.47Å; L174-Q178 VanDerWaalsContact O-CG 3.3Å; L174-Q178 WeakPolarHBondContact O-CG 3.34Å; L174-Q178 PolarHBondContact O-N 3.02Å
175Y95.4Very high93.3Very high55 Ų5573.3 Ų73.322%0.21636%0.363CS..Hα-helixtrans-62.9-44.4174.5168.2-110.8000111.8V2 L4 F171 Y172 S173 Q178 R179V2-Y175 HydrophobicContact CB-CE1 4.32Å; V2-Y175 HydrophobicContact CG1-CE1 3.94Å; V2-Y175 HydrophobicContact CG2-CE1 4.26Å; L4-Y175 HydrophobicContact CD1-CD1 3.65Å; L4-Y175 HydrophobicContact CD1-CD2 4.48Å; L4-Y175 HydrophobicContact CD1-CE1 4.32Å; L4-Y175 HydrophobicContact CD1-CG 3.72Å; L4-Y175 HydrophobicContact CD2-CD1 3.99Å; L4-Y175 HydrophobicContact CD2-CD2 3.77Å; L4-Y175 HydrophobicContact CD2-CE1 4.04Å; L4-Y175 HydrophobicContact CD2-CE2 3.87Å; L4-Y175 HydrophobicContact CD2-CG 3.83Å; L4-Y175 HydrophobicContact CG-CD1 4.33Å; L4-Y175 HydrophobicContact CG-CG 4.42Å; F171-Y175 PolarHBondContact O-N 2.98Å; Y172-Y175 HydrophobicContact CD2-CD1 4.43Å; Y172-Y175 HydrophobicContact CE2-CD1 4.48Å; Y172-Y175 WeakPolarHBondContact O-CB 3.44Å; Y172-Y175 PolarHBondContact O-N 3.06Å; S173-Y175 VanDerWaalsContact C-N 3.26Å; S173-Y175 PolarHBondContact O-N 2.9Å; Y175-Q178 PolarHBondContact O-N 3.47Å; Y175-R179 HydrophobicContact CD2-CG 4.15Å; Y175-R179 HydrophobicContact CE1-CG 4.37Å; Y175-R179 HydrophobicContact CE2-CG 3.79Å; Y175-R179 VanDerWaalsContact O-CG 3.23Å; Y175-R179 WeakPolarHBondContact O-CG 3.35Å; Y175-R179 PolarHBondContact O-N 3.15Å; Y175-R179 WeakPolarHBondContact OH-CD 3.35Å; Y175-R179 PolarHBondContact OH-NE 3.31Å
176Q95.2Very high91.7Very high42 Ų4272.4 Ų72.420%0.19637%0.368CS..Hα-helixtrans-64-45.9178.4-63.9-57-22.900111.8Y172 S173 Q178 R179 E180Y172-Q176 HydrophobicContact CD1-CG 4.28Å; Y172-Q176 HydrophobicContact CE1-CG 3.92Å; Y172-Q176 WeakPolarHBondContact O-CG 3.17Å; Y172-Q176 PolarHBondContact O-N 2.88Å; Y172-Q176 PolarHBondContact OH-NE2 2.97Å; S173-Q176 PolarHBondContact O-N 2.87Å; S173-Q176 VanDerWaalsContact O-N 3.09Å; Q176-Q178 VanDerWaalsContact C-N 3.33Å; Q176-Q178 PolarHBondContact O-N 3.09Å; Q176-R179 WeakPolarHBondContact O-CB 3.19Å; Q176-R179 PolarHBondContact O-N 3.28Å; Q176-R179 VanDerWaalsContact O-N 3.14Å; Q176-E180 WeakPolarHBondContact O-CG 3.45Å; Q176-E180 PolarHBondContact O-N 3.23Å
177E94.1Very high89.7Confident108 Ų10878.3 Ų78.351%0.50541%0.406SS..Hα-helixtrans-56.6-46.6176.6-71.1173.8-169.700111.5S173 R179 E180 I181S173-E177 WeakPolarHBondContact O-CG 3.27Å; S173-E177 PolarHBondContact O-N 3.26Å; E177-R179 VanDerWaalsContact C-N 3.35Å; E177-R179 PolarHBondContact O-N 2.61Å; E177-E180 PolarHBondContact O-N 3.01Å; E177-I181 WeakPolarHBondContact O-CD1 3.2Å; E177-I181 VanDerWaalsContact O-CG1 3.28Å; E177-I181 WeakPolarHBondContact O-CG1 2.97Å; E177-I181 PolarHBondContact O-N 3.46Å
178Q91.6Very high87.6Confident113 Ų11385.4 Ų85.453%0.52848%0.48SS..Hα-helixtrans-63.4-39.5178-74.3-1806.500112.6L174 Y175 Q176 I181 M182L174-Q178 WeakPolarHBondContact O-CB 3.47Å; L174-Q178 VanDerWaalsContact O-CG 3.3Å; L174-Q178 WeakPolarHBondContact O-CG 3.34Å; L174-Q178 PolarHBondContact O-N 3.02Å; Y175-Q178 PolarHBondContact O-N 3.47Å; Q176-Q178 VanDerWaalsContact C-N 3.33Å; Q176-Q178 PolarHBondContact O-N 3.09Å; Q178-I181 PolarHBondContact O-N 3.08Å; Q178-M182 VanDerWaalsContact O-CG 3.29Å; Q178-M182 WeakPolarHBondContact O-CG 3.33Å; Q178-M182 PolarHBondContact O-N 3.34Å
179R92.2Very high87.1Confident82 Ų8289.7 Ų89.731%0.30950%0.504SS..Hα-helixtrans-65-43.6176.8-71.8173.192.5-176.7-2.7112.4Y175 Q176 E177 I181 M182 Q183Y175-R179 HydrophobicContact CD2-CG 4.15Å; Y175-R179 HydrophobicContact CE1-CG 4.37Å; Y175-R179 HydrophobicContact CE2-CG 3.79Å; Y175-R179 VanDerWaalsContact O-CG 3.23Å; Y175-R179 WeakPolarHBondContact O-CG 3.35Å; Y175-R179 PolarHBondContact O-N 3.15Å; Y175-R179 WeakPolarHBondContact OH-CD 3.35Å; Y175-R179 PolarHBondContact OH-NE 3.31Å; Q176-R179 WeakPolarHBondContact O-CB 3.19Å; Q176-R179 PolarHBondContact O-N 3.28Å; Q176-R179 VanDerWaalsContact O-N 3.14Å; E177-R179 VanDerWaalsContact C-N 3.35Å; E177-R179 PolarHBondContact O-N 2.61Å; R179-I181 VanDerWaalsContact C-N 3.31Å; R179-M182 PolarHBondContact O-N 3.39Å; R179-Q183 WeakPolarHBondContact O-CB 3.26Å; R179-Q183 VanDerWaalsContact O-CG 3.3Å; R179-Q183 WeakPolarHBondContact O-CG 3.42Å; R179-Q183 PolarHBondContact O-N 2.92Å
180E91.9Very high86.6Confident110 Ų11090.4 Ų90.451%0.51451%0.511SS..Hα-helixtrans-61.3-44.1178.5-73.1177.5-174.900110.5Q176 E177 M182 Q183 N184Q176-E180 WeakPolarHBondContact O-CG 3.45Å; Q176-E180 PolarHBondContact O-N 3.23Å; E177-E180 PolarHBondContact O-N 3.01Å; E180-M182 PolarHBondContact O-N 3.32Å; E180-Q183 PolarHBondContact O-N 3.45Å; E180-N184 WeakPolarHBondContact O-CB 3.48Å; E180-N184 PolarHBondContact O-N 2.97Å; E180-N184 PolarHBondContact O-ND2 3.07Å; E180-N184 VanDerWaalsContact O-ND2 3.15Å
181I91.1Very high86Confident100 Ų10093.1 Ų93.151%0.51352%0.524SS..Hα-helixtrans-58.3-47.3174.4-68.2165.2000110.9E177 Q178 R179 Q183 N184 L185E177-I181 WeakPolarHBondContact O-CD1 3.2Å; E177-I181 VanDerWaalsContact O-CG1 3.28Å; E177-I181 WeakPolarHBondContact O-CG1 2.97Å; E177-I181 PolarHBondContact O-N 3.46Å; Q178-I181 PolarHBondContact O-N 3.08Å; R179-I181 VanDerWaalsContact C-N 3.31Å; I181-Q183 VanDerWaalsContact C-N 3.32Å; I181-Q183 PolarHBondContact O-N 3.44Å; I181-N184 PolarHBondContact O-N 2.75Å; I181-L185 HydrophobicContact CG2-CD1 3.68Å; I181-L185 WeakPolarHBondContact O-CB 3.02Å; I181-L185 WeakPolarHBondContact O-CD1 3.29Å; I181-L185 VanDerWaalsContact O-CG 3.32Å; I181-L185 WeakPolarHBondContact O-CG 3.37Å; I181-L185 PolarHBondContact O-N 3.26Å; I181-L185 VanDerWaalsContact O-N 3.08Å
182M87.6Confident85.3Confident134 Ų13496.4 Ų96.466%0.6655%0.545SS*.Hα-helixtrans-63.6-36178.7-71.6178.7-16800112.8Q178 R179 E180 G186Q178-M182 VanDerWaalsContact O-CG 3.29Å; Q178-M182 WeakPolarHBondContact O-CG 3.33Å; Q178-M182 PolarHBondContact O-N 3.34Å; R179-M182 PolarHBondContact O-N 3.39Å; E180-M182 PolarHBondContact O-N 3.32Å; M182-G186 PolarHBondContact O-N 3.38Å
183Q86.2Confident84.5Confident134 Ų134100.1 Ų100.163%0.62657%0.57SS**Hα-helixtrans-70.1-39.4177-73.8173.7-6.200111.9R179 E180 I181 L185 G186R179-Q183 WeakPolarHBondContact O-CB 3.26Å; R179-Q183 VanDerWaalsContact O-CG 3.3Å; R179-Q183 WeakPolarHBondContact O-CG 3.42Å; R179-Q183 PolarHBondContact O-N 2.92Å; E180-Q183 PolarHBondContact O-N 3.45Å; I181-Q183 VanDerWaalsContact C-N 3.32Å; I181-Q183 PolarHBondContact O-N 3.44Å; Q183-L185 VanDerWaalsContact C-N 3.27Å; Q183-L185 PolarHBondContact O-N 2.89Å; Q183-G186 PolarHBondContact O-N 3.38Å
184N83.6Confident83.7Confident137 Ų137102.7 Ų102.773%0.73358%0.579SS**Hα-helixtrans-73-18178.4-68.3-28.5000113.4E180 I181E180-N184 WeakPolarHBondContact O-CB 3.48Å; E180-N184 PolarHBondContact O-N 2.97Å; E180-N184 PolarHBondContact O-ND2 3.07Å; E180-N184 VanDerWaalsContact O-ND2 3.15Å; I181-N184 PolarHBondContact O-N 2.75Å
185L78.1Confident83Confident137 Ų137105.6 Ų105.672%0.71760%0.597SS**THydrogen-bonded Turntrans-93.71.9174.7-70.8166.7000113.5I181 Q183I181-L185 HydrophobicContact CG2-CD1 3.68Å; I181-L185 WeakPolarHBondContact O-CB 3.02Å; I181-L185 WeakPolarHBondContact O-CD1 3.29Å; I181-L185 VanDerWaalsContact O-CG 3.32Å; I181-L185 WeakPolarHBondContact O-CG 3.37Å; I181-L185 PolarHBondContact O-N 3.26Å; I181-L185 VanDerWaalsContact O-N 3.08Å; Q183-L185 VanDerWaalsContact C-N 3.27Å; Q183-L185 PolarHBondContact O-N 2.89Å
186G63Low82Confident41 Ų41109.5 Ų109.542%0.42363%0.627SS.*SBendtrans-63.3147.7175.300000112.2M182 Q183 G188M182-G186 PolarHBondContact O-N 3.38Å; Q183-G186 PolarHBondContact O-N 3.38Å; G186-G188 PolarHBondContact O-N 3.38Å
187P56.6Low80.9Confident135 Ų135115.1 Ų115.188%0.87766%0.663SS**  trans-66.8122.9-174.428-31.9000110.2
188G54.9Low79.7Confident150 Ų150115.7 Ų115.7100%1.54668%0.677SS**  trans-69.10160.600000112G186G186-G188 PolarHBondContact O-N 3.38Å

Retrieved 188 of 188 residues in 289.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).