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Ragulator complex protein LAMTOR3

As part of the Ragulator complex it is involved in amino acid sensing and activation of mTORC1, a signaling complex promoting cell growth in response to growth factors, energy levels, and amino acids. Activated by amino acids through a mechanism involving the lysosomal V-ATPase, the Ragulator plays a dual role for the small GTPases Rag (RagA/RRAGA, RagB/RRAGB, RagC/RRAGC and/or RagD/RRAGD): it (1) acts as a guanine nucleotide exchange factor (GEF), activating the small GTPases Rag and (2) mediates recruitment of Rag GTPases to the lysosome membrane. Activated Ragulator and Rag GTPases function as a scaffold recruiting mTORC1 to lysosomes where it is in turn activated. Adapter protein that enhances the efficiency of the MAP kinase cascade facilitating the activation of MAPK2.

AlphaFold DB (Q9UHA4), UniProt , Accession A0A096MRX4, Species PAPAN (Papio anubis, Olive baboon), Gene LAMTOR3, Length 124 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M74.4Confident93.2Very high184 Ų184100 Ų10091%0.90647%0.473SS*.  0-710-168.5163156.100112.5D3 D4 L5M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 3.17Å; M1-D4 WeakPolarHBondContact CA-OD2 3.49Å; M1-D4 PolarHBondContact N-OD2 2.86Å; M1-D4 PolarHBondContact O-N 3.31Å; M1-D4 VanDerWaalsContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 3.24Å
2A84Confident93.6Very high61 Ų6195.4 Ų95.450%0.50445%0.45SS..Hα-helixtrans-58-40.2-179.700000113.2L5 K6A2-L5 PolarHBondContact O-N 2.96Å; A2-K6 WeakPolarHBondContact O-CG 3.47Å; A2-K6 PolarHBondContact O-N 3.01Å
3D91.5Very high94Very high100 Ų10088.4 Ų88.454%0.53542%0.417SS..Hα-helixtrans-71.1-33.3177-65-37.4000113.3M1 L5 K6 R7M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 3.17Å; D3-L5 VanDerWaalsContact C-N 3.31Å; D3-K6 PolarHBondContact O-N 3.16Å; D3-R7 WeakPolarHBondContact O-CB 3.31Å; D3-R7 VanDerWaalsContact O-CG 3.25Å; D3-R7 WeakPolarHBondContact O-CG 3.37Å; D3-R7 PolarHBondContact O-N 2.85Å
4D93.8Very high94.3Very high95 Ų9589.9 Ų89.951%0.50844%0.437SS..Hα-helixtrans-65.9-40.5175.3-54.5-54.5000110.4M1 R7 F8M1-D4 WeakPolarHBondContact CA-OD2 3.49Å; M1-D4 PolarHBondContact N-OD2 2.86Å; M1-D4 PolarHBondContact O-N 3.31Å; M1-D4 VanDerWaalsContact O-N 3.13Å; D4-R7 PolarHBondContact O-N 2.75Å; D4-F8 WeakPolarHBondContact O-CB 3.27Å; D4-F8 PolarHBondContact O-N 3.25Å
5L93.7Very high94.6Very high24 Ų2488.2 Ų88.213%0.12644%0.438CS..Hα-helixtrans-66.3-43.4175178.850.9000112.2M1 A2 D3 R7 F8 L9 I33 L113 L117M1-L5 PolarHBondContact O-N 3.24Å; A2-L5 PolarHBondContact O-N 2.96Å; D3-L5 VanDerWaalsContact C-N 3.31Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.22Å; L5-F8 HydrophobicContact CD1-CD1 4.38Å; L5-F8 PolarHBondContact O-N 3.27Å; L5-L9 HydrophobicContact CD1-CD1 4.16Å; L5-L9 HydrophobicContact CD1-CG 4.06Å; L5-L9 HydrophobicContact CG-CD1 4.42Å; L5-L9 WeakPolarHBondContact O-CG 3.15Å; L5-L9 PolarHBondContact O-N 3.46Å; L5-I33 HydrophobicContact CD2-CD1 3.19Å; L5-I33 HydrophobicContact CG-CD1 3.69Å; L5-L113 HydrophobicContact CD1-CD1 3.53Å; L5-L113 HydrophobicContact CD1-CD2 3.6Å; L5-L113 HydrophobicContact CD1-CG 4.03Å; L5-L113 HydrophobicContact CD2-CD1 4.16Å; L5-L117 HydrophobicContact CD2-CD1 4.07Å; L5-L117 HydrophobicContact CD2-CD2 3.78Å; L5-L117 HydrophobicContact CD2-CG 4.25Å
6K96.9Very high94.8Very high85 Ų8582.9 Ų82.937%0.3741%0.413SS..Hα-helixtrans-58-46.8170.8-75.2174.3-176.5170.70111.1A2 D3 F8 L9 Y10 I33 V35A2-K6 WeakPolarHBondContact O-CG 3.47Å; A2-K6 PolarHBondContact O-N 3.01Å; D3-K6 PolarHBondContact O-N 3.16Å; K6-F8 VanDerWaalsContact C-N 3.32Å; K6-F8 PolarHBondContact O-N 3.07Å; K6-L9 PolarHBondContact O-N 2.85Å; K6-Y10 VanDerWaalsContact O-CB 3.27Å; K6-Y10 WeakPolarHBondContact O-CB 3.38Å; K6-Y10 PolarHBondContact O-N 3.35Å; K6-I33 HydrophobicContact CG-CG2 3.88Å; K6-V35 HydrophobicContact CB-CG1 4.1Å; K6-V35 HydrophobicContact CG-CG1 4.39Å; K6-V35 VanDerWaalsContact O-CG1 3.24Å; K6-V35 WeakPolarHBondContact O-CG1 3.38Å
7R97.6Very high95Very high170 Ų17088.7 Ų88.764%0.64244%0.438SS*.Hα-helixtrans-61.3-41.2177.5-74.3169.5178.4-177.20111.8D3 D4 L5 K11D3-R7 WeakPolarHBondContact O-CB 3.31Å; D3-R7 VanDerWaalsContact O-CG 3.25Å; D3-R7 WeakPolarHBondContact O-CG 3.37Å; D3-R7 PolarHBondContact O-N 2.85Å; D4-R7 PolarHBondContact O-N 2.75Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.22Å; R7-K11 WeakPolarHBondContact O-CG 3.46Å; R7-K11 PolarHBondContact O-N 2.64Å; R7-K11 VanDerWaalsContact O-N 3.08Å
8F97.9Very high95.2Very high90 Ų9085.2 Ų85.240%0.39543%0.428SS..Hα-helixtrans-62.4-51.7176.3173.3-102.2000111.9D4 L5 K6 Y10 K11 K12 L110 L113D4-F8 WeakPolarHBondContact O-CB 3.27Å; D4-F8 PolarHBondContact O-N 3.25Å; L5-F8 HydrophobicContact CD1-CD1 4.38Å; L5-F8 PolarHBondContact O-N 3.27Å; K6-F8 VanDerWaalsContact C-N 3.32Å; K6-F8 PolarHBondContact O-N 3.07Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 3.44Å; F8-K11 WeakPolarHBondContact O-CB 3.25Å; F8-K11 PolarHBondContact O-N 2.79Å; F8-K12 HydrophobicContact CE1-CG 4.36Å; F8-K12 VanDerWaalsContact CZ-CE 3.44Å; F8-K12 HydrophobicContact CZ-CG 4.34Å; F8-K12 PolarHBondContact O-N 3Å; F8-L110 HydrophobicContact CE1-CD2 3.7Å; F8-L110 HydrophobicContact CZ-CD2 4.17Å; F8-L113 HydrophobicContact CD1-CD2 4.16Å; F8-L113 HydrophobicContact CE1-CD2 3.92Å
9L98.4Very high95.4Very high1 Ų180.9 Ų80.91%0.00541%0.407CS..Hα-helixtrans-64-37.5178.6-68.4176.5000112.1L5 K6 K11 K12 L13 I22 I33 V35 L110 L113L5-L9 HydrophobicContact CD1-CD1 4.16Å; L5-L9 HydrophobicContact CD1-CG 4.06Å; L5-L9 HydrophobicContact CG-CD1 4.42Å; L5-L9 WeakPolarHBondContact O-CG 3.15Å; L5-L9 PolarHBondContact O-N 3.46Å; K6-L9 PolarHBondContact O-N 2.85Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 2.8Å; L9-K12 WeakPolarHBondContact O-CB 3.3Å; L9-K12 PolarHBondContact O-N 3.49Å; L9-L13 PolarHBondContact O-N 2.9Å; L9-I22 HydrophobicContact CD2-CD1 4.49Å; L9-I33 HydrophobicContact CD1-CG2 3.82Å; L9-V35 HydrophobicContact CB-CG1 4.13Å; L9-V35 HydrophobicContact CB-CG2 3.75Å; L9-L110 HydrophobicContact CD2-CD1 4.01Å; L9-L110 HydrophobicContact CD2-CD2 4.35Å; L9-L113 HydrophobicContact CD2-CD2 4.04Å
10Y98.5Very high95.6Very high123 Ų12378.1 Ų78.148%0.48239%0.392SS..Hα-helixtrans-60.8-41.3175-171.5-90.1000111.3K6 F8 K12 L13 V35K6-Y10 VanDerWaalsContact O-CB 3.27Å; K6-Y10 WeakPolarHBondContact O-CB 3.38Å; K6-Y10 PolarHBondContact O-N 3.35Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 3.44Å; Y10-K12 PolarHBondContact O-N 2.74Å; Y10-L13 HydrophobicContact CD2-CD1 3.89Å; Y10-L13 HydrophobicContact CE2-CD1 4.1Å; Y10-L13 HydrophobicContact CG-CD1 4.43Å; Y10-L13 WeakPolarHBondContact O-CB 3.32Å; Y10-L13 WeakPolarHBondContact O-CG 3.12Å; Y10-L13 PolarHBondContact O-N 2.91Å; Y10-L13 VanDerWaalsContact O-N 3.16Å; Y10-V35 HydrophobicContact CD2-CB 4.26Å
11K98.4Very high95.7Very high167 Ų16774.4 Ų74.473%0.72637%0.373SS*.Hα-helixtrans-66.9-17.1173.9-73.3177.4179.3-176.50113.8R7 F8 L9 P14R7-K11 WeakPolarHBondContact O-CG 3.46Å; R7-K11 PolarHBondContact O-N 2.64Å; R7-K11 VanDerWaalsContact O-N 3.08Å; F8-K11 WeakPolarHBondContact O-CB 3.25Å; F8-K11 PolarHBondContact O-N 2.79Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 2.8Å; K11-P14 WeakPolarHBondContact O-CD 3.46Å
12K98.3Very high96.9Very high45 Ų4565.6 Ų65.620%0.19633%0.33CS..Hα-helixtrans-82.3-18173.6-69.3-71.1-177.5172.20113F8 L9 Y10 S15 I22 L106 E109 L110F8-K12 HydrophobicContact CE1-CG 4.36Å; F8-K12 VanDerWaalsContact CZ-CE 3.44Å; F8-K12 HydrophobicContact CZ-CG 4.34Å; F8-K12 PolarHBondContact O-N 3Å; L9-K12 WeakPolarHBondContact O-CB 3.3Å; L9-K12 PolarHBondContact O-N 3.49Å; Y10-K12 PolarHBondContact O-N 2.74Å; K12-S15 VanDerWaalsContact O-CB 3.29Å; K12-S15 WeakPolarHBondContact O-CB 3.29Å; K12-S15 PolarHBondContact O-N 2.93Å; K12-S15 PolarHBondContact O-OG 3.25Å; K12-I22 HydrophobicContact CB-CD1 4.44Å; K12-L106 HydrophobicContact CD-CD1 4.22Å; K12-E109 IonicContact NZ-OE1 3.16Å; K12-E109 PolarHBondContact NZ-OE1 3.28Å; K12-L110 HydrophobicContact CG-CD2 4.47Å
13L98.7Very high97.6Very high4 Ų462.7 Ų62.72%0.02131%0.306CS..G310 helixtrans-53.4-45.1179.3-60.9178000113L9 Y10 S15 L19 I22 V35 N37L9-L13 PolarHBondContact O-N 2.9Å; Y10-L13 HydrophobicContact CD2-CD1 3.89Å; Y10-L13 HydrophobicContact CE2-CD1 4.1Å; Y10-L13 HydrophobicContact CG-CD1 4.43Å; Y10-L13 WeakPolarHBondContact O-CB 3.32Å; Y10-L13 WeakPolarHBondContact O-CG 3.12Å; Y10-L13 PolarHBondContact O-N 2.91Å; Y10-L13 VanDerWaalsContact O-N 3.16Å; L13-S15 PolarHBondContact O-N 3.42Å; L13-L19 HydrophobicContact CD2-CD2 4.19Å; L13-L19 HydrophobicContact CD2-CG 3.98Å; L13-I22 HydrophobicContact CD2-CD1 4.1Å; L13-I22 HydrophobicContact CD2-CG1 3.81Å; L13-V35 HydrophobicContact CD2-CG2 4.34Å; L13-N37 HydrophobicContact CD1-CB 4.45Å
14P98.1Very high97.9Very high109 Ų10958 Ų5871%0.70828%0.281SS*.G310 helixtrans-71.6-7.9179.6-18.534000115.1K11 V16K11-P14 WeakPolarHBondContact O-CD 3.46Å; P14-V16 PolarHBondContact O-N 3.17Å
15S98.1Very high98Very high65 Ų6553.5 Ų53.546%0.45526%0.257SS..G310 helixtrans-69-18.6179.568.50000113.1K12 L13K12-S15 VanDerWaalsContact O-CB 3.29Å; K12-S15 WeakPolarHBondContact O-CB 3.29Å; K12-S15 PolarHBondContact O-N 2.93Å; K12-S15 PolarHBondContact O-OG 3.25Å; L13-S15 PolarHBondContact O-N 3.42Å
16V98.6Very high98.1Very high4 Ų454.5 Ų54.52%0.02426%0.262CS..SBendtrans-125.4118.1171.5-1790000107.8P14 G18 L19 L102 I103 L106P14-V16 PolarHBondContact O-N 3.17Å; V16-G18 PolarHBondContact O-N 3.22Å; V16-L19 HydrophobicContact CB-CB 3.95Å; V16-L19 HydrophobicContact CB-CD2 4.33Å; V16-L19 HydrophobicContact CG1-CB 4.4Å; V16-L19 WeakPolarHBondContact O-CB 3.38Å; V16-L19 PolarHBondContact O-N 3.31Å; V16-L102 HydrophobicContact CG1-CB 4.04Å; V16-L102 HydrophobicContact CG2-CB 3.93Å; V16-I103 HydrophobicContact CG1-CG1 3.9Å; V16-L106 HydrophobicContact CG2-CB 4.39Å; V16-L106 HydrophobicContact CG2-CD2 4.09Å
17E98.6Very high97.9Very high181 Ų18157.2 Ų57.285%0.84627%0.27SS*.THydrogen-bonded Turntrans-57.4127.1176.4-172.3179.2176.400110.4A98E17-A98 VanDerWaalsContact O-CB 3.32Å; E17-A98 WeakPolarHBondContact O-CB 3.43Å
18G98.6Very high97.8Very high25 Ų2554.3 Ų54.326%0.25827%0.268SS..THydrogen-bonded Turntrans82.44.3-176.900000115.2V16 H20 A94 S95V16-G18 PolarHBondContact O-N 3.22Å; G18-H20 PolarHBondContact O-CD2 2.98Å; G18-H20 PolarHBondContact O-CE1 3.38Å; G18-H20 VanDerWaalsContact O-CE1 3.27Å; G18-H20 PolarHBondContact O-N 3.09Å; G18-H20 PolarHBondContact O-ND1 2.78Å; G18-H20 PolarHBondContact O-NE2 3.12Å; G18-A94 CarbonylContact O-C 3.58Å; G18-A94 WeakPolarHBondContact O-CA 3.24Å; G18-A94 VanDerWaalsContact O-CB 3.29Å; G18-A94 WeakPolarHBondContact O-CB 3.25Å; G18-S95 PolarHBondContact O-N 2.76Å
19L98.9Very high97.7Very high4 Ų450 Ų502%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-75.2124.5171.4178.763.8000110.8L13 V16 I22 N37 F92 A94 L106L13-L19 HydrophobicContact CD2-CD2 4.19Å; L13-L19 HydrophobicContact CD2-CG 3.98Å; V16-L19 HydrophobicContact CB-CB 3.95Å; V16-L19 HydrophobicContact CB-CD2 4.33Å; V16-L19 HydrophobicContact CG1-CB 4.4Å; V16-L19 WeakPolarHBondContact O-CB 3.38Å; V16-L19 PolarHBondContact O-N 3.31Å; L19-I22 HydrophobicContact CD2-CD1 4.3Å; L19-I22 HydrophobicContact CD2-CG1 4.29Å; L19-N37 PolarHBondContact O-ND2 2.91Å; L19-F92 HydrophobicContact CD1-CB 4Å; L19-F92 HydrophobicContact CD1-CD1 3.98Å; L19-F92 HydrophobicContact CD2-CD1 4.14Å; L19-A94 HydrophobicContact CD1-CB 4.14Å; L19-L106 HydrophobicContact CD2-CD2 3.65Å
20H98.8Very high97.6Very high25 Ų2553.7 Ų53.712%0.11627%0.271CS..EExtended strand (participates in β ladder)trans-107.9-35.2-172-57-44000113.3G18 A36 N37 N39 A40 I93 S95G18-H20 PolarHBondContact O-CD2 2.98Å; G18-H20 PolarHBondContact O-CE1 3.38Å; G18-H20 VanDerWaalsContact O-CE1 3.27Å; G18-H20 PolarHBondContact O-N 3.09Å; G18-H20 PolarHBondContact O-ND1 2.78Å; G18-H20 PolarHBondContact O-NE2 3.12Å; H20-A36 CarbonylContact O-C 3.42Å; H20-A36 VanDerWaalsContact O-CA 3.26Å; H20-A36 WeakPolarHBondContact O-CA 3.46Å; H20-N37 WeakPolarHBondContact CA-OD1 3.33Å; H20-N37 PolarHBondContact O-N 3.1Å; H20-N37 PolarHBondContact O-OD1 2.82Å; H20-N39 WeakPolarHBondContact ND1-CB 3.36Å; H20-A40 HydrophobicContact CB-CB 3.82Å; H20-I93 WeakPolarHBondContact CA-O 3.44Å; H20-I93 WeakPolarHBondContact CB-O 3.47Å; H20-I93 PolarHBondContact N-O 2.79Å; H20-S95 PolarHBondContact CD2-N 3.25Å; H20-S95 PolarHBondContact NE2-N 3.17Å
21A98.9Very high97.5Very high0 Ų050.2 Ų50.20%026%0.264CS..EExtended strand (participates in β ladder)trans-149.6152.8179.200000113.3V23 V35 A36 A40 L45 F92 I93A21-V23 HydrophobicContact CB-CG2 4.48Å; A21-V35 CarbonylContact C-O 3.4Å; A21-V35 WeakPolarHBondContact CA-O 3.44Å; A21-V35 VanDerWaalsContact CB-O 3.26Å; A21-V35 WeakPolarHBondContact CB-O 3.41Å; A21-A36 HydrophobicContact CB-CB 3.76Å; A21-A40 HydrophobicContact CB-CB 4.07Å; A21-L45 HydrophobicContact CB-CD2 3.76Å; A21-F92 WeakPolarHBondContact O-CA 3.39Å; A21-I93 HydrophobicContact CB-CB 4.19Å; A21-I93 HydrophobicContact CB-CD1 4.28Å; A21-I93 PolarHBondContact N-O 2.97Å; A21-I93 PolarHBondContact O-N 3.03Å
22I98.8Very high97.2Very high0 Ų045.8 Ų45.80%025%0.25CS..EExtended strand (participates in β ladder)trans-125.2124.8165.3-56.2171.6000106.8L9 K12 L13 L19 V35 S91 F92 L110 F114L9-I22 HydrophobicContact CD2-CD1 4.49Å; K12-I22 HydrophobicContact CB-CD1 4.44Å; L13-I22 HydrophobicContact CD2-CD1 4.1Å; L13-I22 HydrophobicContact CD2-CG1 3.81Å; L19-I22 HydrophobicContact CD2-CD1 4.3Å; L19-I22 HydrophobicContact CD2-CG1 4.29Å; I22-V35 HydrophobicContact CB-CG2 3.83Å; I22-V35 HydrophobicContact CG1-CG2 4.48Å; I22-V35 PolarHBondContact N-O 3.25Å; I22-V35 PolarHBondContact O-N 2.8Å; I22-S91 CarbonylContact C-O 3.53Å; I22-S91 WeakPolarHBondContact CA-O 3.44Å; I22-F92 HydrophobicContact CD1-CD1 4.2Å; I22-F92 HydrophobicContact CD1-CE1 3.77Å; I22-F92 HydrophobicContact CG1-CD1 3.71Å; I22-F92 HydrophobicContact CG1-CE1 3.74Å; I22-F92 HydrophobicContact CG2-CE1 4.24Å; I22-F92 HydrophobicContact CG2-CZ 4.36Å; I22-L110 HydrophobicContact CD1-CD1 4.38Å; I22-F114 HydrophobicContact CG2-CZ 4.37Å
23V98.6Very high97.1Very high0 Ų044 Ų440%024%0.243CC..EExtended strand (participates in β ladder)trans-128.4122.3-178.8-169.30000109A21 P31 I33 K34 L45 L50 V90 S91 I93A21-V23 HydrophobicContact CB-CG2 4.48Å; V23-P31 HydrophobicContact CG1-CB 4.11Å; V23-P31 HydrophobicContact CG1-CG 4.38Å; V23-I33 CarbonylContact C-O 2.81Å; V23-I33 WeakPolarHBondContact CA-O 3.32Å; V23-K34 HydrophobicContact CG1-CB 4.32Å; V23-K34 HydrophobicContact CG2-CG 4.18Å; V23-L45 HydrophobicContact CG2-CD2 3.64Å; V23-L50 HydrophobicContact CG1-CD1 3.86Å; V23-V90 CarbonylContact O-C 3.58Å; V23-S91 PolarHBondContact N-O 3.33Å; V23-S91 PolarHBondContact O-N 3.35Å; V23-I93 HydrophobicContact CG2-CD1 4.49Å
24V97.6Very high97Very high1 Ų148.1 Ų48.11%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-101.5114.5165.7-174.50000106.6V32 I33 L88 V89 V90 F114V24-V32 PolarHBondContact O-N 2.95Å; V24-I33 HydrophobicContact CB-CB 4.27Å; V24-I33 PolarHBondContact N-O 3.02Å; V24-I33 PolarHBondContact O-N 3.07Å; V24-L88 HydrophobicContact CG1-CB 4.26Å; V24-L88 HydrophobicContact CG1-CD1 3.94Å; V24-L88 HydrophobicContact CG1-CD2 4.3Å; V24-L88 HydrophobicContact CG1-CG 4.4Å; V24-V89 WeakPolarHBondContact CA-O 3.29Å; V24-V90 HydrophobicContact CG2-CG2 4.43Å; V24-F114 HydrophobicContact CG2-CD1 3.85Å; V24-F114 HydrophobicContact CG2-CE1 3.58Å
25S97Very high97.1Very high0 Ų043.4 Ų43.40%023%0.229CC..EExtended strand (participates in β ladder)trans-118.8164.9176.666.40000111.1V30 L88 V89S25-V30 CarbonylContact C-O 3.58Å; S25-V30 WeakPolarHBondContact CA-O 3.42Å; S25-V30 VanDerWaalsContact CB-O 3.29Å; S25-V30 WeakPolarHBondContact CB-O 3.45Å; S25-L88 CarbonylContact O-C 3.5Å; S25-L88 VanDerWaalsContact O-CA 3.31Å; S25-L88 WeakPolarHBondContact O-CA 3.33Å; S25-L88 WeakPolarHBondContact O-CD2 3.49Å; S25-V89 PolarHBondContact N-O 3.45Å; S25-V89 PolarHBondContact O-N 3.13Å
26D94.9Very high97.1Very high45 Ų4541.9 Ų41.924%0.24122%0.221CC..EExtended strand (participates in β ladder)trans-72-173.716067.814.6000111.3D28 G29 V30D26-D28 VanDerWaalsContact C-N 3.26Å; D26-D28 PolarHBondContact O-N 2.88Å; D26-D28 WeakPolarHBondContact OD1-CA 3.43Å; D26-D28 PolarHBondContact OD1-N 3.21Å; D26-G29 PolarHBondContact O-N 3.07Å; D26-G29 PolarHBondContact OD1-N 2.86Å; D26-V30 PolarHBondContact N-O 2.9Å; D26-V30 PolarHBondContact OD1-N 2.86Å; D26-V30 WeakPolarHBondContact OD2-CB 3.26Å
27R93.2Very high97.1Very high143 Ų14343.5 Ų43.554%0.5423%0.229SC..THydrogen-bonded Turntrans-64.7-26.1177.368.8-179.866.3-1772.4114.1G29 A54 L86 P87R27-G29 VanDerWaalsContact C-N 3.26Å; R27-A54 HydrophobicContact CB-CB 4.21Å; R27-A54 VanDerWaalsContact O-CB 3.3Å; R27-A54 WeakPolarHBondContact O-CB 3.48Å; R27-L86 HydrophobicContact CB-CD2 4.03Å; R27-P87 PolarHBondContact N-O 3.43Å
28D94.6Very high97Very high109 Ų10942.9 Ų42.958%0.58323%0.232SC*.THydrogen-bonded Turntrans-90.53.9-178.4-62-41.2000111.5D26 V30 S51D26-D28 VanDerWaalsContact C-N 3.26Å; D26-D28 PolarHBondContact O-N 2.88Å; D26-D28 WeakPolarHBondContact OD1-CA 3.43Å; D26-D28 PolarHBondContact OD1-N 3.21Å; D28-V30 VanDerWaalsContact C-N 3.3Å; D28-S51 WeakPolarHBondContact O-CB 3.28Å
29G96.2Very high97Very high0 Ų047.4 Ų47.40%025%0.25CS..  trans80.78.6177.600000113.5D26 R27 P31 P47D26-G29 PolarHBondContact O-N 3.07Å; D26-G29 PolarHBondContact OD1-N 2.86Å; R27-G29 VanDerWaalsContact C-N 3.26Å; G29-P31 VanDerWaalsContact O-CD 3.26Å; G29-P31 WeakPolarHBondContact O-CD 3.38Å; G29-P47 WeakPolarHBondContact O-CA 3.43Å
30V96.4Very high97Very high78 Ų7847.9 Ų47.947%0.47326%0.255SS..  trans-72.4118.9176.1-176.90000108.5S25 D26 D28 V32S25-V30 CarbonylContact C-O 3.58Å; S25-V30 WeakPolarHBondContact CA-O 3.42Å; S25-V30 VanDerWaalsContact CB-O 3.29Å; S25-V30 WeakPolarHBondContact CB-O 3.45Å; D26-V30 PolarHBondContact N-O 2.9Å; D26-V30 PolarHBondContact OD1-N 2.86Å; D26-V30 WeakPolarHBondContact OD2-CB 3.26Å; D28-V30 VanDerWaalsContact C-N 3.3Å; V30-V32 PolarHBondContact O-N 2.95Å
31P95.5Very high96.9Very high50 Ų5047.9 Ų47.933%0.32526%0.257SS..EExtended strand (participates in β ladder)trans-69.2121.8-177.4-19.933.4000111.7V23 G29 K34 L50V23-P31 HydrophobicContact CG1-CB 4.11Å; V23-P31 HydrophobicContact CG1-CG 4.38Å; G29-P31 VanDerWaalsContact O-CD 3.26Å; G29-P31 WeakPolarHBondContact O-CD 3.38Å; P31-K34 HydrophobicContact CB-CB 4.08Å; P31-L50 HydrophobicContact CG-CD1 4.5Å
32V93.9Very high96.8Very high73 Ų7354 Ų5444%0.44229%0.286SS..EExtended strand (participates in β ladder)trans-77.8-43.4165.4-176.10000109V24 V30 L88V24-V32 PolarHBondContact O-N 2.95Å; V30-V32 PolarHBondContact O-N 2.95Å; V32-L88 HydrophobicContact CG2-CD2 3.97Å
33I95.5Very high96.6Very high8 Ų858.1 Ų58.14%0.04131%0.305CS..EExtended strand (participates in β ladder)trans-139133.6175.6-53-175.4000108.7L5 K6 L9 V23 V24 L117L5-I33 HydrophobicContact CD2-CD1 3.19Å; L5-I33 HydrophobicContact CG-CD1 3.69Å; K6-I33 HydrophobicContact CG-CG2 3.88Å; L9-I33 HydrophobicContact CD1-CG2 3.82Å; V23-I33 CarbonylContact C-O 2.81Å; V23-I33 WeakPolarHBondContact CA-O 3.32Å; V24-I33 HydrophobicContact CB-CB 4.27Å; V24-I33 PolarHBondContact N-O 3.02Å; V24-I33 PolarHBondContact O-N 3.07Å; I33-L117 HydrophobicContact CD1-CD1 3.68Å; I33-L117 HydrophobicContact CD1-CD2 3.94Å; I33-L117 HydrophobicContact CD1-CG 4.48Å
34K97.3Very high96.6Very high91 Ų9158.1 Ų58.140%0.39631%0.305SS..EExtended strand (participates in β ladder)trans-139.8128.1176.4172.2176.5167.7-178.60109.4V23 P31V23-K34 HydrophobicContact CG1-CB 4.32Å; V23-K34 HydrophobicContact CG2-CG 4.18Å; P31-K34 HydrophobicContact CB-CB 4.08Å
35V98.6Very high96.6Very high9 Ų958.7 Ų58.76%0.05531%0.308CS..EExtended strand (participates in β ladder)trans-128.6135.5167.6-630000108.3K6 L9 Y10 L13 A21 I22K6-V35 HydrophobicContact CB-CG1 4.1Å; K6-V35 HydrophobicContact CG-CG1 4.39Å; K6-V35 VanDerWaalsContact O-CG1 3.24Å; K6-V35 WeakPolarHBondContact O-CG1 3.38Å; L9-V35 HydrophobicContact CB-CG1 4.13Å; L9-V35 HydrophobicContact CB-CG2 3.75Å; Y10-V35 HydrophobicContact CD2-CB 4.26Å; L13-V35 HydrophobicContact CD2-CG2 4.34Å; A21-V35 CarbonylContact C-O 3.4Å; A21-V35 WeakPolarHBondContact CA-O 3.44Å; A21-V35 VanDerWaalsContact CB-O 3.26Å; A21-V35 WeakPolarHBondContact CB-O 3.41Å; I22-V35 HydrophobicContact CB-CG2 3.83Å; I22-V35 HydrophobicContact CG1-CG2 4.48Å; I22-V35 PolarHBondContact N-O 3.25Å; I22-V35 PolarHBondContact O-N 2.8Å
36A98.7Very high96.6Very high33 Ų3365.2 Ų65.227%0.27333%0.333SS..EExtended strand (participates in β ladder)trans-150.7144.3-179.400000109.4H20 A21 A40 L45H20-A36 CarbonylContact O-C 3.42Å; H20-A36 VanDerWaalsContact O-CA 3.26Å; H20-A36 WeakPolarHBondContact O-CA 3.46Å; A21-A36 HydrophobicContact CB-CB 3.76Å; A36-A40 HydrophobicContact CB-CB 3.85Å; A36-L45 HydrophobicContact CB-CD1 4.12Å
37N98.2Very high96.8Very high38 Ų3866 Ų6620%0.20334%0.34CS..  trans-93.5175.3164.162.736.8000110.7L13 L19 H20 N39 A40L13-N37 HydrophobicContact CD1-CB 4.45Å; L19-N37 PolarHBondContact O-ND2 2.91Å; H20-N37 WeakPolarHBondContact CA-OD1 3.33Å; H20-N37 PolarHBondContact O-N 3.1Å; H20-N37 PolarHBondContact O-OD1 2.82Å; N37-N39 PolarHBondContact O-N 3.28Å; N37-N39 VanDerWaalsContact O-N 3.07Å; N37-N39 WeakPolarHBondContact OD1-CB 3.43Å; N37-N39 PolarHBondContact OD1-N 3.46Å; N37-A40 WeakPolarHBondContact O-CB 3.38Å; N37-A40 PolarHBondContact O-N 3.18Å
38D97.5Very high96.9Very high169 Ų16961.7 Ų61.790%0.90434%0.34SS*.THydrogen-bonded Turntrans-65-14.6-173.7-57.7-31.2000114
39N98Very high97.1Very high119 Ų11958.6 Ų58.664%0.63632%0.321SS*.THydrogen-bonded Turntrans-86.8-6.3178.3-61.9-49.9000112.9H20 N37 P41H20-N39 WeakPolarHBondContact ND1-CB 3.36Å; N37-N39 PolarHBondContact O-N 3.28Å; N37-N39 VanDerWaalsContact O-N 3.07Å; N37-N39 WeakPolarHBondContact OD1-CB 3.43Å; N37-N39 PolarHBondContact OD1-N 3.46Å; N39-P41 WeakPolarHBondContact O-CD 3.29Å
40A98.3Very high97.2Very high15 Ų1558.6 Ų58.612%0.12432%0.322CS..SBendtrans-70.6125.1-178.500000111H20 A21 A36 N37 E42 L45H20-A40 HydrophobicContact CB-CB 3.82Å; A21-A40 HydrophobicContact CB-CB 4.07Å; A36-A40 HydrophobicContact CB-CB 3.85Å; N37-A40 WeakPolarHBondContact O-CB 3.38Å; N37-A40 PolarHBondContact O-N 3.18Å; A40-E42 PolarHBondContact O-N 3Å; A40-L45 HydrophobicContact CB-CD1 3.93Å
41P97.4Very high97.2Very high25 Ų2556.3 Ų56.316%0.16231%0.309CS..  trans-64.1119.2178.222.2-30000110.9N39 H43 A44 Y78 I93N39-P41 WeakPolarHBondContact O-CD 3.29Å; P41-H43 VanDerWaalsContact C-N 3.3Å; P41-H43 PolarHBondContact O-N 3.41Å; P41-A44 HydrophobicContact CB-CB 4.39Å; P41-A44 HydrophobicContact CG-CB 3.94Å; P41-A44 PolarHBondContact O-N 2.61Å; P41-A44 VanDerWaalsContact O-N 3.12Å; P41-Y78 HydrophobicContact CB-CD1 4.35Å; P41-Y78 HydrophobicContact CB-CG 4.5Å; P41-Y78 HydrophobicContact CG-CD1 4.03Å; P41-Y78 HydrophobicContact CG-CD2 3.81Å; P41-Y78 HydrophobicContact CG-CE1 4.49Å; P41-Y78 HydrophobicContact CG-CE2 4.27Å; P41-Y78 HydrophobicContact CG-CG 3.7Å; P41-I93 HydrophobicContact CG-CG2 3.71Å
42E96.4Very high97.1Very high128 Ų12857.9 Ų57.960%0.59832%0.318SS*.G310 helixtrans-58.4-40.2-171.1-163.5-157.1129.900112.8A40 A44 L45 R46A40-E42 PolarHBondContact O-N 3Å; E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 2.84Å; E42-L45 WeakPolarHBondContact O-CB 3.38Å; E42-L45 PolarHBondContact O-N 3.04Å; E42-L45 VanDerWaalsContact O-N 3.1Å; E42-R46 IonicContact OE1-CZ 3.58Å; E42-R46 IonicContact OE1-NE 3.51Å; E42-R46 IonicContact OE1-NH2 2.78Å; E42-R46 PolarHBondContact OE1-NH2 3.18Å
43H96.2Very high97.3Very high86 Ų8654.5 Ų54.540%0.39830%0.297SS..G310 helixtrans-65-33.3-178.866-76.7000112.7P41 L45 R46 F49 Y78P41-H43 VanDerWaalsContact C-N 3.3Å; P41-H43 PolarHBondContact O-N 3.41Å; H43-L45 PolarHBondContact O-N 3.28Å; H43-R46 PolarHBondContact O-N 3.22Å; H43-F49 VanDerWaalsContact O-CB 3.28Å; H43-F49 WeakPolarHBondContact O-CB 3.33Å; H43-Y78 AromaticContact CE1-CE1 3.68Å; H43-Y78 AromaticContact CE1-CZ 3.85Å; H43-Y78 AromaticContact NE2-CE1 3.47Å; H43-Y78 WeakPolarHBondContact NE2-CE1 3.5Å; H43-Y78 AromaticContact NE2-CZ 3.25Å; H43-Y78 PolarHBondContact NE2-OH 3.16Å
44A97.6Very high97.2Very high0 Ų054.9 Ų54.90%030%0.302CS..G310 helixtrans-70.1-15.6177.500000112.7P41 E42 F49 L50 Y78 I93P41-A44 HydrophobicContact CB-CB 4.39Å; P41-A44 HydrophobicContact CG-CB 3.94Å; P41-A44 PolarHBondContact O-N 2.61Å; P41-A44 VanDerWaalsContact O-N 3.12Å; E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 2.84Å; A44-F49 HydrophobicContact CB-CD1 4.21Å; A44-F49 HydrophobicContact CB-CE1 4.03Å; A44-F49 HydrophobicContact CB-CZ 4.28Å; A44-F49 WeakPolarHBondContact O-CD1 3.45Å; A44-L50 WeakPolarHBondContact O-CD2 3.5Å; A44-Y78 HydrophobicContact CB-CD2 4.49Å; A44-Y78 HydrophobicContact CB-CE2 3.91Å; A44-I93 HydrophobicContact CB-CD1 3.93Å; A44-I93 HydrophobicContact CB-CG1 4.43Å; A44-I93 HydrophobicContact CB-CG2 4.34Å
45L98.1Very high97Very high14 Ų1456.5 Ų56.57%0.07331%0.314CS..G310 helixtrans-94.5-2178.3-60.2169.2000113.3A21 V23 A36 A40 E42 H43 I93A21-L45 HydrophobicContact CB-CD2 3.76Å; V23-L45 HydrophobicContact CG2-CD2 3.64Å; A36-L45 HydrophobicContact CB-CD1 4.12Å; A40-L45 HydrophobicContact CB-CD1 3.93Å; E42-L45 WeakPolarHBondContact O-CB 3.38Å; E42-L45 PolarHBondContact O-N 3.04Å; E42-L45 VanDerWaalsContact O-N 3.1Å; H43-L45 PolarHBondContact O-N 3.28Å; L45-I93 HydrophobicContact CD2-CD1 3.37Å; L45-I93 HydrophobicContact CG-CD1 4.08Å
46R97.4Very high96.8Very high137 Ų13758.1 Ų58.152%0.51733%0.328SS..SBendtrans-81.8143.7-177.6-65.9-177.6179.6-174.8-0.4110.5E42 H43 G48 F49 L50E42-R46 IonicContact OE1-CZ 3.58Å; E42-R46 IonicContact OE1-NE 3.51Å; E42-R46 IonicContact OE1-NH2 2.78Å; E42-R46 PolarHBondContact OE1-NH2 3.18Å; H43-R46 PolarHBondContact O-N 3.22Å; R46-G48 VanDerWaalsContact C-N 3.28Å; R46-G48 PolarHBondContact O-N 3.49Å; R46-F49 WeakPolarHBondContact O-CB 3.39Å; R46-F49 PolarHBondContact O-N 2.78Å; R46-L50 PolarHBondContact O-N 3.08Å; R46-L50 VanDerWaalsContact O-N 3.08Å
47P97.6Very high96.7Very high61 Ų6156.6 Ų56.640%0.39632%0.316SS..Hα-helixtrans-51.5-43.3180-30.235.8000114.2G29 F49 L50 S51G29-P47 WeakPolarHBondContact O-CA 3.43Å; P47-F49 PolarHBondContact O-N 3.42Å; P47-L50 PolarHBondContact O-N 3.43Å; P47-L50 VanDerWaalsContact O-N 3.16Å; P47-S51 WeakPolarHBondContact O-CB 3.46Å; P47-S51 PolarHBondContact O-N 3.29Å; P47-S51 PolarHBondContact O-OG 3.24Å
48G96.4Very high96.5Very high53 Ų5358.6 Ų58.655%0.54633%0.326SS..Hα-helixtrans-61.8-29.1178.200000114.4R46 S51 T52R46-G48 VanDerWaalsContact C-N 3.28Å; R46-G48 PolarHBondContact O-N 3.49Å; G48-S51 PolarHBondContact O-OG 3.48Å; G48-T52 PolarHBondContact O-OG1 3.28Å
49F97.7Very high96.4Very high43 Ų4356 Ų5619%0.18931%0.309CS..Hα-helixtrans-76.6-48.3172.8-173.2-81.7000110.6H43 A44 R46 P47 S51 T52 Y75 Y78 V80H43-F49 VanDerWaalsContact O-CB 3.28Å; H43-F49 WeakPolarHBondContact O-CB 3.33Å; A44-F49 HydrophobicContact CB-CD1 4.21Å; A44-F49 HydrophobicContact CB-CE1 4.03Å; A44-F49 HydrophobicContact CB-CZ 4.28Å; A44-F49 WeakPolarHBondContact O-CD1 3.45Å; R46-F49 WeakPolarHBondContact O-CB 3.39Å; R46-F49 PolarHBondContact O-N 2.78Å; P47-F49 PolarHBondContact O-N 3.42Å; F49-S51 PolarHBondContact O-N 3.21Å; F49-T52 WeakPolarHBondContact O-CB 3.44Å; F49-T52 PolarHBondContact O-N 3.16Å; F49-T52 PolarHBondContact O-OG1 3.1Å; F49-Y75 AromaticContact CZ-CE2 3.87Å; F49-Y75 HydrophobicContact CZ-CE2 3.87Å; F49-Y75 AromaticContact CZ-CZ 3.8Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.33Å; F49-Y78 HydrophobicContact CZ-CE2 4.35Å; F49-V80 HydrophobicContact CE1-CG1 4.21Å; F49-V80 HydrophobicContact CE1-CG2 3.97Å; F49-V80 HydrophobicContact CZ-CG2 4.08Å
50L98Very high96.2Very high1 Ų151.6 Ų51.61%0.00529%0.292CS..Hα-helixtrans-62.6-40.2-177-64.9170.5000112.6V23 P31 A44 R46 P47 T52 F53V23-L50 HydrophobicContact CG1-CD1 3.86Å; P31-L50 HydrophobicContact CG-CD1 4.5Å; A44-L50 WeakPolarHBondContact O-CD2 3.5Å; R46-L50 PolarHBondContact O-N 3.08Å; R46-L50 VanDerWaalsContact O-N 3.08Å; P47-L50 PolarHBondContact O-N 3.43Å; P47-L50 VanDerWaalsContact O-N 3.16Å; L50-T52 PolarHBondContact O-N 2.94Å; L50-F53 WeakPolarHBondContact O-CB 3.36Å; L50-F53 PolarHBondContact O-N 3.19Å
51S96.4Very high96.1Very high30 Ų3052.5 Ų52.521%0.2130%0.297CS..THydrogen-bonded Turntrans-66.2-22.1-178.967.20000113.8D28 P47 G48 F49 F53 A54D28-S51 WeakPolarHBondContact O-CB 3.28Å; P47-S51 WeakPolarHBondContact O-CB 3.46Å; P47-S51 PolarHBondContact O-N 3.29Å; P47-S51 PolarHBondContact O-OG 3.24Å; G48-S51 PolarHBondContact O-OG 3.48Å; F49-S51 PolarHBondContact O-N 3.21Å; S51-F53 PolarHBondContact O-N 2.99Å; S51-F53 VanDerWaalsContact O-N 3.14Å; S51-A54 PolarHBondContact O-N 3.27Å
52T95.2Very high96Very high82 Ų8257.2 Ų57.250%0.50332%0.315SS..Hα-helixtrans-57-31.9176.6-61.90000111.3G48 F49 L50 A54 L55 A56G48-T52 PolarHBondContact O-OG1 3.28Å; F49-T52 WeakPolarHBondContact O-CB 3.44Å; F49-T52 PolarHBondContact O-N 3.16Å; F49-T52 PolarHBondContact O-OG1 3.1Å; L50-T52 PolarHBondContact O-N 2.94Å; T52-A54 PolarHBondContact O-N 3.33Å; T52-L55 PolarHBondContact O-N 3.26Å; T52-A56 WeakPolarHBondContact O-CB 3.44Å; T52-A56 PolarHBondContact O-N 3.33Å
53F96.2Very high95.9Very high3 Ų357.5 Ų57.51%0.01332%0.319CS..Hα-helixtrans-58.7-46175.2178-96.4000112.9L50 S51 L55 A56 T57 I71 Q82 N84 V89L50-F53 WeakPolarHBondContact O-CB 3.36Å; L50-F53 PolarHBondContact O-N 3.19Å; S51-F53 PolarHBondContact O-N 2.99Å; S51-F53 VanDerWaalsContact O-N 3.14Å; F53-L55 VanDerWaalsContact C-N 3.27Å; F53-L55 PolarHBondContact O-N 3.47Å; F53-A56 PolarHBondContact O-N 3.42Å; F53-T57 HydrophobicContact CD1-CG2 4.16Å; F53-T57 HydrophobicContact CE1-CG2 3.83Å; F53-T57 HydrophobicContact CZ-CG2 4.29Å; F53-T57 WeakPolarHBondContact O-CB 3.43Å; F53-T57 WeakPolarHBondContact O-CG2 3.26Å; F53-T57 PolarHBondContact O-N 3.14Å; F53-I71 HydrophobicContact CD2-CB 3.91Å; F53-I71 HydrophobicContact CD2-CD1 3.99Å; F53-I71 HydrophobicContact CD2-CG1 4.08Å; F53-I71 HydrophobicContact CE2-CB 3.74Å; F53-I71 HydrophobicContact CE2-CD1 4.01Å; F53-I71 HydrophobicContact CE2-CG1 3.72Å; F53-Q82 HydrophobicContact CB-CB 4.45Å; F53-Q82 HydrophobicContact CD2-CB 3.2Å; F53-Q82 HydrophobicContact CD2-CG 4.13Å; F53-Q82 HydrophobicContact CE2-CB 3.41Å; F53-Q82 VanDerWaalsContact CE2-CB 3.41Å; F53-Q82 WeakPolarHBondContact CE2-O 3.17Å; F53-Q82 HydrophobicContact CG-CB 3.83Å; F53-Q82 HydrophobicContact CZ-CB 4.2Å; F53-N84 HydrophobicContact CE1-CB 4.12Å; F53-N84 HydrophobicContact CZ-CB 3.9Å; F53-V89 HydrophobicContact CB-CG1 4.22Å; F53-V89 HydrophobicContact CD1-CB 4.13Å; F53-V89 HydrophobicContact CD1-CG1 3.32Å; F53-V89 HydrophobicContact CD1-CG2 3.64Å; F53-V89 HydrophobicContact CE1-CG1 3.79Å; F53-V89 HydrophobicContact CE1-CG2 4.08Å; F53-V89 HydrophobicContact CG-CG1 3.83Å
54A94.1Very high95.8Very high16 Ų1656.7 Ų56.713%0.13233%0.334CS..Hα-helixtrans-62.5-38.8-174.900000111.2R27 S51 T52 T57 D58R27-A54 HydrophobicContact CB-CB 4.21Å; R27-A54 VanDerWaalsContact O-CB 3.3Å; R27-A54 WeakPolarHBondContact O-CB 3.48Å; S51-A54 PolarHBondContact O-N 3.27Å; T52-A54 PolarHBondContact O-N 3.33Å; A54-T57 WeakPolarHBondContact O-CG2 3.47Å; A54-D58 PolarHBondContact O-N 3.45Å
55L92.8Very high95.7Very high125 Ų12563.9 Ų63.965%0.65437%0.372SS*.Hα-helixtrans-68.5-47.8173.9-62.8175.3000111.4T52 F53 T57 D58 Q59T52-L55 PolarHBondContact O-N 3.26Å; F53-L55 VanDerWaalsContact C-N 3.27Å; F53-L55 PolarHBondContact O-N 3.47Å; L55-T57 PolarHBondContact O-N 3.06Å; L55-D58 PolarHBondContact O-N 2.97Å; L55-Q59 WeakPolarHBondContact O-CG 3.1Å; L55-Q59 PolarHBondContact O-N 3.11Å; L55-Q59 VanDerWaalsContact O-N 3.13Å
56A95.8Very high95.5Very high43 Ų4368 Ų6836%0.35540%0.402SS..Hα-helixtrans-65.6-39.3-177.100000112.6T52 F53 Q59 G60 I71T52-A56 WeakPolarHBondContact O-CB 3.44Å; T52-A56 PolarHBondContact O-N 3.33Å; F53-A56 PolarHBondContact O-N 3.42Å; A56-Q59 PolarHBondContact O-N 3.35Å; A56-G60 PolarHBondContact O-N 2.84Å; A56-I71 HydrophobicContact CB-CD1 3.58Å
57T96.1Very high95.4Very high1 Ų167.2 Ų67.21%0.00640%0.402CS..Hα-helixtrans-70-34.7179.7-164.10000111.9F53 A54 L55 S61 N68 N84 L86F53-T57 HydrophobicContact CD1-CG2 4.16Å; F53-T57 HydrophobicContact CE1-CG2 3.83Å; F53-T57 HydrophobicContact CZ-CG2 4.29Å; F53-T57 WeakPolarHBondContact O-CB 3.43Å; F53-T57 WeakPolarHBondContact O-CG2 3.26Å; F53-T57 PolarHBondContact O-N 3.14Å; A54-T57 WeakPolarHBondContact O-CG2 3.47Å; L55-T57 PolarHBondContact O-N 3.06Å; T57-S61 WeakPolarHBondContact O-CB 3.38Å; T57-S61 PolarHBondContact O-N 2.75Å; T57-S61 PolarHBondContact O-OG 3.21Å; T57-N68 PolarHBondContact OG1-OD1 3.42Å; T57-N84 PolarHBondContact OG1-ND2 3.32Å; T57-N84 VanDerWaalsContact OG1-ND2 3.16Å; T57-L86 HydrophobicContact CG2-CD1 4.28Å
58D93.6Very high95.4Very high80 Ų8066.4 Ų66.443%0.42840%0.395SS..Hα-helixtrans-64.4-48.7173.3-179.862000111A54 L55 G60 S61 K62A54-D58 PolarHBondContact O-N 3.45Å; L55-D58 PolarHBondContact O-N 2.97Å; D58-G60 PolarHBondContact O-N 3.48Å; D58-S61 PolarHBondContact O-N 3.26Å; D58-K62 WeakPolarHBondContact O-CG 3.06Å; D58-K62 PolarHBondContact O-N 2.83Å; D58-K62 WeakPolarHBondContact OD2-CE 3.3Å; D58-K62 IonicContact OD2-NZ 3.2Å; D58-K62 PolarHBondContact OD2-NZ 2.82Å
59Q95.4Very high95.4Very high114 Ų11472 Ų7253%0.53340%0.404SS..Hα-helixtrans-65-40.4177.2-60.7-57.2-30.600112.2L55 A56 S61 K62L55-Q59 WeakPolarHBondContact O-CG 3.1Å; L55-Q59 PolarHBondContact O-N 3.11Å; L55-Q59 VanDerWaalsContact O-N 3.13Å; A56-Q59 PolarHBondContact O-N 3.35Å; Q59-S61 VanDerWaalsContact C-N 3.27Å; Q59-S61 PolarHBondContact O-N 3.26Å; Q59-K62 VanDerWaalsContact NE2-NZ 3.12Å; Q59-K62 WeakPolarHBondContact O-CB 3.45Å; Q59-K62 PolarHBondContact O-N 3.01Å; Q59-K62 VanDerWaalsContact O-N 3.11Å
60G93.7Very high95.4Very high27 Ų2771.9 Ų71.928%0.27841%0.409SS..Hα-helixtrans-61.3-35.6175.800000113A56 D58 K62 L63A56-G60 PolarHBondContact O-N 2.84Å; D58-G60 PolarHBondContact O-N 3.48Å; G60-K62 PolarHBondContact O-N 2.93Å; G60-L63 WeakPolarHBondContact O-CB 3.42Å; G60-L63 WeakPolarHBondContact O-CG 3.4Å; G60-L63 PolarHBondContact O-N 2.76Å
61S95.6Very high95.4Very high33 Ų3373.8 Ų73.823%0.23142%0.418CS..Hα-helixtrans-69.1-19.6177.5-58.70000113.1T57 D58 Q59 L63 N68T57-S61 WeakPolarHBondContact O-CB 3.38Å; T57-S61 PolarHBondContact O-N 2.75Å; T57-S61 PolarHBondContact O-OG 3.21Å; D58-S61 PolarHBondContact O-N 3.26Å; Q59-S61 VanDerWaalsContact C-N 3.27Å; Q59-S61 PolarHBondContact O-N 3.26Å; S61-L63 VanDerWaalsContact C-N 3.26Å; S61-L63 PolarHBondContact O-N 3.28Å; S61-N68 PolarHBondContact OG-N 3.42Å
62K96.6Very high95.5Very high124 Ų12475.5 Ų75.554%0.53943%0.425SS..THydrogen-bonded Turntrans-79.1-5.7178.2-65.9170.9-168.4165.30113.7D58 Q59 G60 G64D58-K62 WeakPolarHBondContact O-CG 3.06Å; D58-K62 PolarHBondContact O-N 2.83Å; D58-K62 WeakPolarHBondContact OD2-CE 3.3Å; D58-K62 IonicContact OD2-NZ 3.2Å; D58-K62 PolarHBondContact OD2-NZ 2.82Å; Q59-K62 VanDerWaalsContact NE2-NZ 3.12Å; Q59-K62 WeakPolarHBondContact O-CB 3.45Å; Q59-K62 PolarHBondContact O-N 3.01Å; Q59-K62 VanDerWaalsContact O-N 3.11Å; G60-K62 PolarHBondContact O-N 2.93Å; K62-G64 PolarHBondContact O-N 2.83Å
63L94.5Very high95.6Very high134 Ų13473.4 Ų73.470%0.70241%0.413SS*.THydrogen-bonded Turntrans-75.42.6178.8-61.9177.1000114.1G60 S61 L65G60-L63 WeakPolarHBondContact O-CB 3.42Å; G60-L63 WeakPolarHBondContact O-CG 3.4Å; G60-L63 PolarHBondContact O-N 2.76Å; S61-L63 VanDerWaalsContact C-N 3.26Å; S61-L63 PolarHBondContact O-N 3.28Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.16Å
64G93.9Very high95.7Very high69 Ų6979.9 Ų79.971%0.71144%0.438SS*.SBendtrans79.58178.400000115.1K62K62-G64 PolarHBondContact O-N 2.83Å
65L94.2Very high95.8Very high151 Ų15183.5 Ų83.579%0.79145%0.449SS*.SBendtrans-99.432.4-178.6-60.6179000113.3L63L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.16Å
66S95Very high96Very high100 Ų10084.9 Ų84.970%0.69946%0.457SS*.SBendtrans65.8-173-169.8-160.80000113.4N68S66-N68 PolarHBondContact O-N 3.44Å
67K94.9Very high96.1Very high121 Ų12187.3 Ų87.353%0.52647%0.467SS..SBendtrans-68.6124.5-179.6-172.5174.9-179.6-179.90109.9K69 N84K67-K69 PolarHBondContact O-N 2.86Å; K67-N84 WeakPolarHBondContact CE-ND2 3.17Å
68N96.7Very high96.2Very high45 Ų4588 Ų8824%0.24147%0.47CS..  trans-61.1127.9173.5172.8-97.3000109.7T57 S61 S66 S70 N84T57-N68 PolarHBondContact OG1-OD1 3.42Å; S61-N68 PolarHBondContact OG-N 3.42Å; S66-N68 PolarHBondContact O-N 3.44Å; N68-S70 PolarHBondContact ND2-O 2.91Å; N68-S70 PolarHBondContact OD1-O 2.97Å; N68-N84 VanDerWaalsContact O-CB 3.3Å; N68-N84 WeakPolarHBondContact O-CB 3.39Å; N68-N84 PolarHBondContact O-ND2 2.99Å
69K96.4Very high96.5Very high170 Ų17084.2 Ų84.274%0.73945%0.45SS*.  trans-93.1-31.9-175.9-64-177.5-179.2177.90112.9K67 N84K67-K69 PolarHBondContact O-N 2.86Å; K69-N84 WeakPolarHBondContact O-CB 3.42Å; K69-N84 PolarHBondContact O-N 3.32Å
70S97.8Very high96.6Very high41 Ų4178.8 Ų78.829%0.28742%0.424SS..EExtended strand (participates in β ladder)trans-159.6160.2-178.155.40000111.3N68 Q82N68-S70 PolarHBondContact ND2-O 2.91Å; N68-S70 PolarHBondContact OD1-O 2.97Å; S70-Q82 CarbonylContact C-O 3.58Å; S70-Q82 WeakPolarHBondContact CA-O 3.43Å; S70-Q82 WeakPolarHBondContact CB-O 3.39Å
71I98.1Very high96.9Very high40 Ų4077.5 Ų77.521%0.20541%0.411CS..EExtended strand (participates in β ladder)trans-131.4134.8172.1-59.9-179.3000107.1F53 A56 Q82F53-I71 HydrophobicContact CD2-CB 3.91Å; F53-I71 HydrophobicContact CD2-CD1 3.99Å; F53-I71 HydrophobicContact CD2-CG1 4.08Å; F53-I71 HydrophobicContact CE2-CB 3.74Å; F53-I71 HydrophobicContact CE2-CD1 4.01Å; F53-I71 HydrophobicContact CE2-CG1 3.72Å; A56-I71 HydrophobicContact CB-CD1 3.58Å; I71-Q82 PolarHBondContact N-O 2.82Å; I71-Q82 PolarHBondContact O-N 3Å
72I98.3Very high97Very high67 Ų6776.3 Ų76.334%0.34440%0.402SS..EExtended strand (participates in β ladder)trans-122.6118-179.1-53.1-176.2000107.8Y74 V80 V81 T100I72-Y74 HydrophobicContact CG2-CD2 4.03Å; I72-Y74 HydrophobicContact CG2-CE2 3.6Å; I72-V80 WeakPolarHBondContact CA-O 3.35Å; I72-V81 HydrophobicContact CD1-CG1 4.22Å; I72-V81 HydrophobicContact CG1-CG1 4.03Å; I72-V81 HydrophobicContact CG2-CG2 4.27Å; I72-T100 HydrophobicContact CD1-CG2 3.75Å; I72-T100 HydrophobicContact CG2-CG2 4.14Å
73C97.9Very high97.1Very high37 Ų3770.9 Ų70.925%0.2538%0.378CS..EExtended strand (participates in β ladder)trans-112.1120.4-179.1-61.30000109.5Y75 Q79 V80C73-Y75 HydrophobicContact CB-CD2 4.46Å; C73-Y75 HydrophobicContact CB-CE2 3.64Å; C73-Q79 CarbonylContact O-C 3.53Å; C73-Q79 VanDerWaalsContact O-CA 3.27Å; C73-Q79 WeakPolarHBondContact O-CA 3.27Å; C73-V80 HydrophobicContact CB-CB 4.42Å; C73-V80 PolarHBondContact N-O 3.24Å; C73-V80 PolarHBondContact O-N 3.19Å
74Y98.1Very high97.2Very high139 Ų13965.1 Ų65.155%0.54535%0.348SS..EExtended strand (participates in β ladder)trans-97.6125.9172.4-76-97.4000110I72 Q79 T100I72-Y74 HydrophobicContact CG2-CD2 4.03Å; I72-Y74 HydrophobicContact CG2-CE2 3.6Å; Y74-Q79 HydrophobicContact CD1-CB 4.11Å; Y74-Q79 HydrophobicContact CE1-CB 4.3Å; Y74-T100 PolarHBondContact OH-OG1 3.42Å
75Y96.8Very high97.2Very high93 Ų9365.5 Ų65.537%0.36533%0.328SS..  trans-112.2174.9169.3-56.4-87.5000109F49 C73 T77 Y78 V80 S96F49-Y75 AromaticContact CZ-CE2 3.87Å; F49-Y75 HydrophobicContact CZ-CE2 3.87Å; F49-Y75 AromaticContact CZ-CZ 3.8Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.33Å; C73-Y75 HydrophobicContact CB-CD2 4.46Å; C73-Y75 HydrophobicContact CB-CE2 3.64Å; Y75-T77 VanDerWaalsContact C-N 3.32Å; Y75-T77 PolarHBondContact O-N 3.08Å; Y75-Y78 CarbonylContact C-O 3.45Å; Y75-Y78 WeakPolarHBondContact CA-O 3.46Å; Y75-Y78 VanDerWaalsContact CB-O 3.31Å; Y75-Y78 WeakPolarHBondContact CB-O 3.39Å; Y75-Y78 AromaticContact CD2-CD2 3.79Å; Y75-Y78 HydrophobicContact CD2-CD2 3.79Å; Y75-Y78 HydrophobicContact CD2-CE1 4.03Å; Y75-Y78 AromaticContact CD2-CE2 3.2Å; Y75-Y78 HydrophobicContact CD2-CE2 3.2Å; Y75-Y78 HydrophobicContact CD2-CG 4.38Å; Y75-Y78 AromaticContact CD2-CZ 3.3Å; Y75-Y78 WeakPolarHBondContact CD2-OH 3.45Å; Y75-Y78 HydrophobicContact CE2-CD2 4.44Å; Y75-Y78 AromaticContact CE2-CE2 3.58Å; Y75-Y78 HydrophobicContact CE2-CE2 3.58Å; Y75-Y78 AromaticContact CE2-CZ 3.8Å; Y75-Y78 HydrophobicContact CG-CD1 4.46Å; Y75-Y78 HydrophobicContact CG-CD2 4.5Å; Y75-Y78 AromaticContact CG-CE1 3.84Å; Y75-Y78 HydrophobicContact CG-CE1 3.84Å; Y75-Y78 AromaticContact CG-CE2 3.9Å; Y75-Y78 HydrophobicContact CG-CE2 3.9Å; Y75-Y78 AromaticContact CG-CZ 3.48Å; Y75-Y78 VanDerWaalsContact CG-CZ 3.48Å; Y75-Y78 PolarHBondContact N-O 3.17Å; Y75-V80 HydrophobicContact CD2-CG2 4.4Å; Y75-V80 HydrophobicContact CE2-CB 4.5Å; Y75-V80 HydrophobicContact CE2-CG2 3.99Å; Y75-S96 WeakPolarHBondContact O-CB 3.45Å
76N97.1Very high97.1Very high154 Ų15460.4 Ų60.482%0.82430%0.302SS*.SBendtrans-57.4-43.5-176.1-16857.3000112.7S96N76-S96 PolarHBondContact O-OG 2.8Å
77T97.6Very high97Very high93 Ų9356.9 Ų56.957%0.57128%0.276SS*.SBendtrans-113.7-12.9-173.156.70000114.5Y75 S96Y75-T77 VanDerWaalsContact C-N 3.32Å; Y75-T77 PolarHBondContact O-N 3.08Å; T77-S96 PolarHBondContact O-N 2.93Å; T77-S96 VanDerWaalsContact O-N 3.17Å
78Y98.5Very high97Very high16 Ų1651.2 Ų51.26%0.06325%0.252CS..EExtended strand (participates in β ladder)trans-146.1159.3-177.670.3-81.3000111.1P41 H43 A44 F49 Y75 V80 I93 A94P41-Y78 HydrophobicContact CB-CD1 4.35Å; P41-Y78 HydrophobicContact CB-CG 4.5Å; P41-Y78 HydrophobicContact CG-CD1 4.03Å; P41-Y78 HydrophobicContact CG-CD2 3.81Å; P41-Y78 HydrophobicContact CG-CE1 4.49Å; P41-Y78 HydrophobicContact CG-CE2 4.27Å; P41-Y78 HydrophobicContact CG-CG 3.7Å; H43-Y78 AromaticContact CE1-CE1 3.68Å; H43-Y78 AromaticContact CE1-CZ 3.85Å; H43-Y78 AromaticContact NE2-CE1 3.47Å; H43-Y78 WeakPolarHBondContact NE2-CE1 3.5Å; H43-Y78 AromaticContact NE2-CZ 3.25Å; H43-Y78 PolarHBondContact NE2-OH 3.16Å; A44-Y78 HydrophobicContact CB-CD2 4.49Å; A44-Y78 HydrophobicContact CB-CE2 3.91Å; F49-Y78 HydrophobicContact CZ-CE2 4.35Å; Y75-Y78 CarbonylContact C-O 3.45Å; Y75-Y78 WeakPolarHBondContact CA-O 3.46Å; Y75-Y78 VanDerWaalsContact CB-O 3.31Å; Y75-Y78 WeakPolarHBondContact CB-O 3.39Å; Y75-Y78 AromaticContact CD2-CD2 3.79Å; Y75-Y78 HydrophobicContact CD2-CD2 3.79Å; Y75-Y78 HydrophobicContact CD2-CE1 4.03Å; Y75-Y78 AromaticContact CD2-CE2 3.2Å; Y75-Y78 HydrophobicContact CD2-CE2 3.2Å; Y75-Y78 HydrophobicContact CD2-CG 4.38Å; Y75-Y78 AromaticContact CD2-CZ 3.3Å; Y75-Y78 WeakPolarHBondContact CD2-OH 3.45Å; Y75-Y78 HydrophobicContact CE2-CD2 4.44Å; Y75-Y78 AromaticContact CE2-CE2 3.58Å; Y75-Y78 HydrophobicContact CE2-CE2 3.58Å; Y75-Y78 AromaticContact CE2-CZ 3.8Å; Y75-Y78 HydrophobicContact CG-CD1 4.46Å; Y75-Y78 HydrophobicContact CG-CD2 4.5Å; Y75-Y78 AromaticContact CG-CE1 3.84Å; Y75-Y78 HydrophobicContact CG-CE1 3.84Å; Y75-Y78 AromaticContact CG-CE2 3.9Å; Y75-Y78 HydrophobicContact CG-CE2 3.9Å; Y75-Y78 AromaticContact CG-CZ 3.48Å; Y75-Y78 VanDerWaalsContact CG-CZ 3.48Å; Y75-Y78 PolarHBondContact N-O 3.17Å; Y78-V80 HydrophobicContact CD2-CG2 3.64Å; Y78-V80 HydrophobicContact CE2-CG2 3.47Å; Y78-V80 VanDerWaalsContact CE2-CG2 3.47Å; Y78-I93 HydrophobicContact CD2-CG2 4.24Å; Y78-A94 CarbonylContact C-O 3.53Å; Y78-A94 WeakPolarHBondContact CA-O 3.36Å; Y78-A94 VanDerWaalsContact CB-O 3.25Å; Y78-A94 WeakPolarHBondContact CB-O 3.3Å
79Q98.6Very high97Very high0 Ų049.1 Ų49.10%024%0.241CC..EExtended strand (participates in β ladder)trans-119.2152.5169.270.4-175.8-86.900110C73 Y74 V81 A94 S95 A98 T100 I103C73-Q79 CarbonylContact O-C 3.53Å; C73-Q79 VanDerWaalsContact O-CA 3.27Å; C73-Q79 WeakPolarHBondContact O-CA 3.27Å; Y74-Q79 HydrophobicContact CD1-CB 4.11Å; Y74-Q79 HydrophobicContact CE1-CB 4.3Å; Q79-V81 HydrophobicContact CG-CG2 4.46Å; Q79-A94 HydrophobicContact CG-CB 3.98Å; Q79-A94 PolarHBondContact N-O 3.43Å; Q79-A94 PolarHBondContact O-N 2.68Å; Q79-S95 PolarHBondContact NE2-O 3.16Å; Q79-A98 PolarHBondContact NE2-O 2.97Å; Q79-T100 PolarHBondContact OE1-OG1 3.47Å; Q79-I103 HydrophobicContact CG-CD1 4.45Å
80V98.7Very high97.1Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-126.6117.2176.7-178.90000108.4F49 I72 C73 Y75 Y78 Q82 F92 I93F49-V80 HydrophobicContact CE1-CG1 4.21Å; F49-V80 HydrophobicContact CE1-CG2 3.97Å; F49-V80 HydrophobicContact CZ-CG2 4.08Å; I72-V80 WeakPolarHBondContact CA-O 3.35Å; C73-V80 HydrophobicContact CB-CB 4.42Å; C73-V80 PolarHBondContact N-O 3.24Å; C73-V80 PolarHBondContact O-N 3.19Å; Y75-V80 HydrophobicContact CD2-CG2 4.4Å; Y75-V80 HydrophobicContact CE2-CB 4.5Å; Y75-V80 HydrophobicContact CE2-CG2 3.99Å; Y78-V80 HydrophobicContact CD2-CG2 3.64Å; Y78-V80 HydrophobicContact CE2-CG2 3.47Å; Y78-V80 VanDerWaalsContact CE2-CG2 3.47Å; V80-Q82 HydrophobicContact CG1-CG 3.65Å; V80-F92 WeakPolarHBondContact CA-O 3.32Å; V80-I93 HydrophobicContact CG1-CG1 4.43Å; V80-I93 HydrophobicContact CG2-CG1 4.25Å
81V98.8Very high97.2Very high0 Ų039.1 Ų39.10%019%0.192CC..EExtended strand (participates in β ladder)trans-111.7109.5-179.1-169.50000107.5I72 Q79 F83 F92 T100 I103 V104I72-V81 HydrophobicContact CD1-CG1 4.22Å; I72-V81 HydrophobicContact CG1-CG1 4.03Å; I72-V81 HydrophobicContact CG2-CG2 4.27Å; Q79-V81 HydrophobicContact CG-CG2 4.46Å; V81-F83 HydrophobicContact CB-CE2 4.2Å; V81-F83 HydrophobicContact CG1-CD2 4.37Å; V81-F83 HydrophobicContact CG1-CE1 4.49Å; V81-F83 HydrophobicContact CG1-CE2 3.42Å; V81-F83 VanDerWaalsContact CG1-CE2 3.42Å; V81-F83 HydrophobicContact CG1-CZ 3.49Å; V81-F83 VanDerWaalsContact CG1-CZ 3.49Å; V81-F92 HydrophobicContact CB-CB 4.3Å; V81-F92 PolarHBondContact N-O 3.42Å; V81-F92 PolarHBondContact O-N 2.88Å; V81-T100 HydrophobicContact CG2-CG2 4.07Å; V81-I103 HydrophobicContact CB-CG2 3.93Å; V81-I103 HydrophobicContact CG1-CG2 4.13Å; V81-I103 HydrophobicContact CG2-CB 4.42Å; V81-I103 HydrophobicContact CG2-CD1 3.98Å; V81-I103 HydrophobicContact CG2-CG2 3.92Å; V81-V104 HydrophobicContact CG1-CG2 4.44Å
82Q98.7Very high97.2Very high8 Ų837.2 Ų37.24%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-117.7136.7-174.6-65.4178.6-69.800111.1F53 S70 I71 V80 V89 V90 S91F53-Q82 HydrophobicContact CB-CB 4.45Å; F53-Q82 HydrophobicContact CD2-CB 3.2Å; F53-Q82 HydrophobicContact CD2-CG 4.13Å; F53-Q82 HydrophobicContact CE2-CB 3.41Å; F53-Q82 VanDerWaalsContact CE2-CB 3.41Å; F53-Q82 WeakPolarHBondContact CE2-O 3.17Å; F53-Q82 HydrophobicContact CG-CB 3.83Å; F53-Q82 HydrophobicContact CZ-CB 4.2Å; S70-Q82 CarbonylContact C-O 3.58Å; S70-Q82 WeakPolarHBondContact CA-O 3.43Å; S70-Q82 WeakPolarHBondContact CB-O 3.39Å; I71-Q82 PolarHBondContact N-O 2.82Å; I71-Q82 PolarHBondContact O-N 3Å; V80-Q82 HydrophobicContact CG1-CG 3.65Å; Q82-V89 HydrophobicContact CB-CG1 4.46Å; Q82-V90 CarbonylContact C-O 3.53Å; Q82-V90 VanDerWaalsContact CA-O 3.3Å; Q82-V90 WeakPolarHBondContact CA-O 3.49Å; Q82-S91 WeakPolarHBondContact CG-OG 3.26Å; Q82-S91 PolarHBondContact NE2-OG 3.19Å
83F98.5Very high97.2Very high10 Ų1034 Ų344%0.04417%0.166CC..EExtended strand (participates in β ladder)trans-117.4133.5-174.4-61-96.6000110.6V81 R85 V90 F92 V104 E107V81-F83 HydrophobicContact CB-CE2 4.2Å; V81-F83 HydrophobicContact CG1-CD2 4.37Å; V81-F83 HydrophobicContact CG1-CE1 4.49Å; V81-F83 HydrophobicContact CG1-CE2 3.42Å; V81-F83 VanDerWaalsContact CG1-CE2 3.42Å; V81-F83 HydrophobicContact CG1-CZ 3.49Å; V81-F83 VanDerWaalsContact CG1-CZ 3.49Å; F83-R85 PolarHBondContact O-N 3.27Å; F83-R85 VanDerWaalsContact O-N 3.16Å; F83-V90 HydrophobicContact CB-CB 4.42Å; F83-V90 PolarHBondContact N-O 3.48Å; F83-V90 PolarHBondContact O-N 3.41Å; F83-F92 AromaticContact CD2-CD2 3.96Å; F83-F92 HydrophobicContact CD2-CD2 3.96Å; F83-F92 HydrophobicContact CD2-CE2 4Å; F83-F92 AromaticContact CE2-CD2 3.63Å; F83-F92 HydrophobicContact CE2-CD2 3.63Å; F83-F92 AromaticContact CE2-CE2 3.81Å; F83-F92 HydrophobicContact CE2-CE2 3.81Å; F83-V104 HydrophobicContact CE1-CG2 4.33Å; F83-V104 HydrophobicContact CZ-CB 4.46Å; F83-V104 HydrophobicContact CZ-CG2 4Å; F83-E107 HydrophobicContact CB-CG 4.34Å; F83-E107 HydrophobicContact CD1-CB 4.39Å; F83-E107 HydrophobicContact CD1-CG 3.83Å; F83-E107 HydrophobicContact CD2-CB 4.16Å; F83-E107 HydrophobicContact CD2-CG 3.59Å; F83-E107 HydrophobicContact CE1-CB 3.97Å; F83-E107 HydrophobicContact CE1-CG 3.93Å; F83-E107 HydrophobicContact CE2-CB 3.69Å; F83-E107 HydrophobicContact CE2-CG 3.68Å; F83-E107 HydrophobicContact CG-CB 4.47Å; F83-E107 HydrophobicContact CG-CG 3.65Å; F83-E107 HydrophobicContact CZ-CB 3.59Å; F83-E107 HydrophobicContact CZ-CG 3.86Å
84N96.2Very high97.3Very high13 Ų1332.2 Ų32.27%0.0715%0.154CC..EExtended strand (participates in β ladder)trans-78.898.4-179.9-172.6-11.3000109.7F53 T57 K67 N68 K69 L86F53-N84 HydrophobicContact CE1-CB 4.12Å; F53-N84 HydrophobicContact CZ-CB 3.9Å; T57-N84 PolarHBondContact OG1-ND2 3.32Å; T57-N84 VanDerWaalsContact OG1-ND2 3.16Å; K67-N84 WeakPolarHBondContact CE-ND2 3.17Å; N68-N84 VanDerWaalsContact O-CB 3.3Å; N68-N84 WeakPolarHBondContact O-CB 3.39Å; N68-N84 PolarHBondContact O-ND2 2.99Å; K69-N84 WeakPolarHBondContact O-CB 3.42Å; K69-N84 PolarHBondContact O-N 3.32Å; N84-L86 VanDerWaalsContact OD1-CG 3.32Å; N84-L86 WeakPolarHBondContact OD1-CG 3.3Å; N84-L86 PolarHBondContact OD1-N 2.62Å
85R94.6Very high97.3Very high77 Ų7726.8 Ų26.829%0.29114%0.136SC..EExtended strand (participates in β ladder)trans-120.130.9174.1-60.9-71.3177.7-134.74.7110.5F83 L88 V90 E107F83-R85 PolarHBondContact O-N 3.27Å; F83-R85 VanDerWaalsContact O-N 3.16Å; R85-L88 CarbonylContact C-O 3.59Å; R85-L88 WeakPolarHBondContact CA-O 3.38Å; R85-L88 PolarHBondContact N-O 3.19Å; R85-L88 PolarHBondContact O-N 2.85Å; R85-L88 VanDerWaalsContact O-O 3.04Å; R85-V90 HydrophobicContact CB-CG2 4.42Å; R85-V90 HydrophobicContact CG-CG2 3.99Å; R85-E107 IonicContact CZ-OE1 3.52Å; R85-E107 IonicContact NE-OE1 2.8Å; R85-E107 PolarHBondContact NE-OE1 2.96Å; R85-E107 VanDerWaalsContact NH2-CD 3.32Å; R85-E107 IonicContact NH2-OE1 3.56Å; R85-E107 PolarHBondContact NH2-OE1 3.26Å; R85-E107 IonicContact NH2-OE2 2.84Å; R85-E107 PolarHBondContact NH2-OE2 2.99Å; R85-E107 VanDerWaalsContact NH2-OE2 3.16Å
86L91.5Very high97.4Very high45 Ų4524.3 Ų24.324%0.23613%0.132CC..THydrogen-bonded Turntrans-50.6134-170.7-75.9172.6000110.8R27 T57 N84 L88 V89 R118R27-L86 HydrophobicContact CB-CD2 4.03Å; T57-L86 HydrophobicContact CG2-CD1 4.28Å; N84-L86 VanDerWaalsContact OD1-CG 3.32Å; N84-L86 WeakPolarHBondContact OD1-CG 3.3Å; N84-L86 PolarHBondContact OD1-N 2.62Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 VanDerWaalsContact CA-N 3.27Å; L86-L88 WeakPolarHBondContact CA-O 3.44Å; L86-L88 PolarHBondContact N-O 2.68Å; L86-V89 HydrophobicContact CD2-CG2 4.08Å; L86-R118 PolarHBondContact O-NE 3.17Å
87P92.6Very high97.4Very high25 Ų2522 Ų2216%0.16213%0.128CC..THydrogen-bonded Turncis-78.4-2.218.332.6-37.9000116.4R27 V121 E122R27-P87 PolarHBondContact N-O 3.43Å; P87-V121 HydrophobicContact CG-CG1 4.31Å; P87-E122 VanDerWaalsContact CD-OE1 3.29Å; P87-E122 WeakPolarHBondContact CD-OE1 3.42Å; P87-E122 HydrophobicContact CG-CG 3.88Å
88L95.6Very high97.5Very high3 Ų317.9 Ų17.92%0.01610%0.104CC..EExtended strand (participates in β ladder)trans-96.8156173.4-62.5179.1000113.2V24 S25 V32 R85 L86 L117 R118 V121V24-L88 HydrophobicContact CG1-CB 4.26Å; V24-L88 HydrophobicContact CG1-CD1 3.94Å; V24-L88 HydrophobicContact CG1-CD2 4.3Å; V24-L88 HydrophobicContact CG1-CG 4.4Å; S25-L88 CarbonylContact O-C 3.5Å; S25-L88 VanDerWaalsContact O-CA 3.31Å; S25-L88 WeakPolarHBondContact O-CA 3.33Å; S25-L88 WeakPolarHBondContact O-CD2 3.49Å; V32-L88 HydrophobicContact CG2-CD2 3.97Å; R85-L88 CarbonylContact C-O 3.59Å; R85-L88 WeakPolarHBondContact CA-O 3.38Å; R85-L88 PolarHBondContact N-O 3.19Å; R85-L88 PolarHBondContact O-N 2.85Å; R85-L88 VanDerWaalsContact O-O 3.04Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 VanDerWaalsContact CA-N 3.27Å; L86-L88 WeakPolarHBondContact CA-O 3.44Å; L86-L88 PolarHBondContact N-O 2.68Å; L88-L117 HydrophobicContact CD1-CB 4.1Å; L88-R118 HydrophobicContact CD1-CB 4.12Å; L88-V121 HydrophobicContact CD1-CG2 4.49Å; L88-V121 HydrophobicContact CD2-CG2 4.26Å
89V97.3Very high97.5Very high1 Ų121.6 Ų21.61%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-123.5126.3170.8-179.60000107.8V24 S25 F53 Q82 L86V24-V89 WeakPolarHBondContact CA-O 3.29Å; S25-V89 PolarHBondContact N-O 3.45Å; S25-V89 PolarHBondContact O-N 3.13Å; F53-V89 HydrophobicContact CB-CG1 4.22Å; F53-V89 HydrophobicContact CD1-CB 4.13Å; F53-V89 HydrophobicContact CD1-CG1 3.32Å; F53-V89 HydrophobicContact CD1-CG2 3.64Å; F53-V89 HydrophobicContact CE1-CG1 3.79Å; F53-V89 HydrophobicContact CE1-CG2 4.08Å; F53-V89 HydrophobicContact CG-CG1 3.83Å; Q82-V89 HydrophobicContact CB-CG1 4.46Å; L86-V89 HydrophobicContact CD2-CG2 4.08Å
90V98.4Very high97.5Very high0 Ų022.5 Ų22.50%013%0.13CC..EExtended strand (participates in β ladder)trans-102.7119.5175.7-175.20000108.4V23 V24 Q82 F83 R85 F92 F114V23-V90 CarbonylContact O-C 3.58Å; V24-V90 HydrophobicContact CG2-CG2 4.43Å; Q82-V90 CarbonylContact C-O 3.53Å; Q82-V90 VanDerWaalsContact CA-O 3.3Å; Q82-V90 WeakPolarHBondContact CA-O 3.49Å; F83-V90 HydrophobicContact CB-CB 4.42Å; F83-V90 PolarHBondContact N-O 3.48Å; F83-V90 PolarHBondContact O-N 3.41Å; R85-V90 HydrophobicContact CB-CG2 4.42Å; R85-V90 HydrophobicContact CG-CG2 3.99Å; V90-F92 HydrophobicContact CG1-CD2 4.18Å; V90-F92 HydrophobicContact CG1-CE2 3.51Å; V90-F92 HydrophobicContact CG1-CZ 4.19Å; V90-F114 HydrophobicContact CB-CE2 4.48Å; V90-F114 HydrophobicContact CG1-CD2 4.08Å; V90-F114 HydrophobicContact CG1-CE1 4.13Å; V90-F114 HydrophobicContact CG1-CE2 3.56Å; V90-F114 HydrophobicContact CG1-CZ 3.6Å; V90-F114 HydrophobicContact CG2-CB 4.23Å; V90-F114 HydrophobicContact CG2-CD1 4.08Å; V90-F114 HydrophobicContact CG2-CD2 3.89Å; V90-F114 HydrophobicContact CG2-CE1 4.42Å; V90-F114 HydrophobicContact CG2-CE2 4.23Å; V90-F114 HydrophobicContact CG2-CG 3.81Å; V90-F114 HydrophobicContact CG2-CZ 4.49Å
91S98.8Very high97.5Very high0 Ų024.4 Ų24.40%015%0.149CC..EExtended strand (participates in β ladder)trans-119.3125.8-175.7-51.80000110.4I22 V23 Q82I22-S91 CarbonylContact C-O 3.53Å; I22-S91 WeakPolarHBondContact CA-O 3.44Å; V23-S91 PolarHBondContact N-O 3.33Å; V23-S91 PolarHBondContact O-N 3.35Å; Q82-S91 WeakPolarHBondContact CG-OG 3.26Å; Q82-S91 PolarHBondContact NE2-OG 3.19Å
92F98.9Very high97.5Very high0 Ų028.5 Ų28.50%017%0.171CC..EExtended strand (participates in β ladder)trans-107.2128.7169.8-64.6-105.7000108.3L19 A21 I22 V80 V81 F83 V90 I103 L106 E107 L110 F114L19-F92 HydrophobicContact CD1-CB 4Å; L19-F92 HydrophobicContact CD1-CD1 3.98Å; L19-F92 HydrophobicContact CD2-CD1 4.14Å; A21-F92 WeakPolarHBondContact O-CA 3.39Å; I22-F92 HydrophobicContact CD1-CD1 4.2Å; I22-F92 HydrophobicContact CD1-CE1 3.77Å; I22-F92 HydrophobicContact CG1-CD1 3.71Å; I22-F92 HydrophobicContact CG1-CE1 3.74Å; I22-F92 HydrophobicContact CG2-CE1 4.24Å; I22-F92 HydrophobicContact CG2-CZ 4.36Å; V80-F92 WeakPolarHBondContact CA-O 3.32Å; V81-F92 HydrophobicContact CB-CB 4.3Å; V81-F92 PolarHBondContact N-O 3.42Å; V81-F92 PolarHBondContact O-N 2.88Å; F83-F92 AromaticContact CD2-CD2 3.96Å; F83-F92 HydrophobicContact CD2-CD2 3.96Å; F83-F92 HydrophobicContact CD2-CE2 4Å; F83-F92 AromaticContact CE2-CD2 3.63Å; F83-F92 HydrophobicContact CE2-CD2 3.63Å; F83-F92 AromaticContact CE2-CE2 3.81Å; F83-F92 HydrophobicContact CE2-CE2 3.81Å; V90-F92 HydrophobicContact CG1-CD2 4.18Å; V90-F92 HydrophobicContact CG1-CE2 3.51Å; V90-F92 HydrophobicContact CG1-CZ 4.19Å; F92-I103 HydrophobicContact CB-CG2 3.47Å; F92-I103 VanDerWaalsContact CB-CG2 3.47Å; F92-I103 HydrophobicContact CD1-CG2 3.84Å; F92-I103 HydrophobicContact CD2-CG2 4.14Å; F92-I103 HydrophobicContact CG-CG2 3.56Å; F92-L106 HydrophobicContact CD1-CD2 4.43Å; F92-L106 HydrophobicContact CE1-CD2 3.85Å; F92-L106 HydrophobicContact CE1-CG 4.11Å; F92-E107 HydrophobicContact CE2-CB 3.71Å; F92-E107 HydrophobicContact CE2-CG 3.74Å; F92-E107 HydrophobicContact CZ-CB 3.88Å; F92-E107 HydrophobicContact CZ-CG 4.19Å; F92-L110 HydrophobicContact CE1-CD1 4.41Å; F92-L110 HydrophobicContact CZ-CD1 4.29Å; F92-F114 HydrophobicContact CZ-CE2 4.32Å; F92-F114 HydrophobicContact CZ-CZ 4.44Å
93I98.8Very high97.5Very high0 Ų028.1 Ų28.10%017%0.169CC..EExtended strand (participates in β ladder)trans-117.4122.7178.1-59159.4000107.3H20 A21 V23 P41 A44 L45 Y78 V80H20-I93 WeakPolarHBondContact CA-O 3.44Å; H20-I93 WeakPolarHBondContact CB-O 3.47Å; H20-I93 PolarHBondContact N-O 2.79Å; A21-I93 HydrophobicContact CB-CB 4.19Å; A21-I93 HydrophobicContact CB-CD1 4.28Å; A21-I93 PolarHBondContact N-O 2.97Å; A21-I93 PolarHBondContact O-N 3.03Å; V23-I93 HydrophobicContact CG2-CD1 4.49Å; P41-I93 HydrophobicContact CG-CG2 3.71Å; A44-I93 HydrophobicContact CB-CD1 3.93Å; A44-I93 HydrophobicContact CB-CG1 4.43Å; A44-I93 HydrophobicContact CB-CG2 4.34Å; L45-I93 HydrophobicContact CD2-CD1 3.37Å; L45-I93 HydrophobicContact CG-CD1 4.08Å; Y78-I93 HydrophobicContact CD2-CG2 4.24Å; V80-I93 HydrophobicContact CG1-CG1 4.43Å; V80-I93 HydrophobicContact CG2-CG1 4.25Å
94A98.9Very high97.5Very high0 Ų029.4 Ų29.40%018%0.178CC..EExtended strand (participates in β ladder)trans-140.1167.5-173.600000110.8G18 L19 Y78 Q79 A98 I103G18-A94 CarbonylContact O-C 3.58Å; G18-A94 WeakPolarHBondContact O-CA 3.24Å; G18-A94 VanDerWaalsContact O-CB 3.29Å; G18-A94 WeakPolarHBondContact O-CB 3.25Å; L19-A94 HydrophobicContact CD1-CB 4.14Å; Y78-A94 CarbonylContact C-O 3.53Å; Y78-A94 WeakPolarHBondContact CA-O 3.36Å; Y78-A94 VanDerWaalsContact CB-O 3.25Å; Y78-A94 WeakPolarHBondContact CB-O 3.3Å; Q79-A94 HydrophobicContact CG-CB 3.98Å; Q79-A94 PolarHBondContact N-O 3.43Å; Q79-A94 PolarHBondContact O-N 2.68Å; A94-A98 HydrophobicContact CB-CB 3.66Å; A94-I103 HydrophobicContact CB-CD1 3.62Å
95S98.7Very high97.6Very high24 Ų2432 Ų3217%0.16820%0.197CC..EExtended strand (participates in β ladder)trans-54149.3168.61740000110.8G18 H20 Q79 S97 A98G18-S95 PolarHBondContact O-N 2.76Å; H20-S95 PolarHBondContact CD2-N 3.25Å; H20-S95 PolarHBondContact NE2-N 3.17Å; Q79-S95 PolarHBondContact NE2-O 3.16Å; S95-S97 PolarHBondContact O-N 3.32Å; S95-S97 VanDerWaalsContact O-N 3.16Å; S95-S97 PolarHBondContact OG-N 3.32Å; S95-S97 PolarHBondContact OG-OG 2.78Å; S95-A98 VanDerWaalsContact O-CB 3.3Å; S95-A98 WeakPolarHBondContact O-CB 3.31Å; S95-A98 PolarHBondContact O-N 3.47Å
96S98.3Very high97.8Very high41 Ų4128.6 Ų28.629%0.28718%0.184SC..THydrogen-bonded Turntrans-60.9-22.817452.70000112.4Y75 N76 T77Y75-S96 WeakPolarHBondContact O-CB 3.45Å; N76-S96 PolarHBondContact O-OG 2.8Å; T77-S96 PolarHBondContact O-N 2.93Å; T77-S96 VanDerWaalsContact O-N 3.17Å
97S98Very high98.2Very high105 Ų10526.6 Ų26.673%0.73417%0.174SC*.THydrogen-bonded Turntrans-87.1-8.8174.761.50000115S95S95-S97 PolarHBondContact O-N 3.32Å; S95-S97 VanDerWaalsContact O-N 3.16Å; S95-S97 PolarHBondContact OG-N 3.32Å; S95-S97 PolarHBondContact OG-OG 2.78Å
98A98.7Very high98.4Very high8 Ų832.1 Ų32.17%0.06620%0.195CC..SBendtrans-64.8145.5-179.100000111.3E17 Q79 A94 S95 T100 I103E17-A98 VanDerWaalsContact O-CB 3.32Å; E17-A98 WeakPolarHBondContact O-CB 3.43Å; Q79-A98 PolarHBondContact NE2-O 2.97Å; A94-A98 HydrophobicContact CB-CB 3.66Å; S95-A98 VanDerWaalsContact O-CB 3.3Å; S95-A98 WeakPolarHBondContact O-CB 3.31Å; S95-A98 PolarHBondContact O-N 3.47Å; A98-T100 PolarHBondContact O-N 2.86Å; A98-I103 HydrophobicContact CB-CD1 4.5Å
99N98.7Very high98.6Very high93 Ų9337.5 Ų37.550%0.49722%0.221SC..  trans-73.5105.4-179.5-173.3-45.1000111G101 L102 I103N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 2.89Å; N99-G101 WeakPolarHBondContact OD1-CA 3.47Å; N99-G101 PolarHBondContact OD1-N 3.27Å; N99-L102 HydrophobicContact CB-CB 4.24Å; N99-L102 HydrophobicContact CB-CD1 3.93Å; N99-L102 HydrophobicContact CB-CG 3.93Å; N99-L102 WeakPolarHBondContact O-CB 3.37Å; N99-L102 PolarHBondContact O-N 3.4Å; N99-L102 VanDerWaalsContact O-N 3.09Å; N99-L102 PolarHBondContact OD1-N 3.21Å; N99-L102 VanDerWaalsContact OD1-N 3.1Å; N99-I103 PolarHBondContact O-N 3.42Å
100T98.8Very high98.6Very high20 Ų2037.7 Ų37.712%0.12322%0.221CC..Hα-helixtrans-60-34179.7-47.40000113.2I72 Y74 Q79 V81 A98 L102 I103 V104I72-T100 HydrophobicContact CD1-CG2 3.75Å; I72-T100 HydrophobicContact CG2-CG2 4.14Å; Y74-T100 PolarHBondContact OH-OG1 3.42Å; Q79-T100 PolarHBondContact OE1-OG1 3.47Å; V81-T100 HydrophobicContact CG2-CG2 4.07Å; A98-T100 PolarHBondContact O-N 2.86Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 3.34Å; T100-I103 WeakPolarHBondContact O-CB 3.37Å; T100-I103 PolarHBondContact O-N 2.88Å; T100-V104 WeakPolarHBondContact O-CG2 3.37Å; T100-V104 PolarHBondContact O-N 3.16Å
101G98.8Very high98.5Very high39 Ų3939 Ų3940%0.40223%0.232SC..Hα-helixtrans-63.9-34.4176.800000112.7N99 S105N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 2.89Å; N99-G101 WeakPolarHBondContact OD1-CA 3.47Å; N99-G101 PolarHBondContact OD1-N 3.27Å; G101-S105 WeakPolarHBondContact O-CB 3.4Å; G101-S105 PolarHBondContact O-N 2.83Å; G101-S105 PolarHBondContact O-OG 2.96Å
102L98.8Very high98.4Very high87 Ų8743 Ų4346%0.45526%0.258SS..Hα-helixtrans-70.5-38172.5-64.2-177.3000111.6V16 N99 T100 V104 S105 L106V16-L102 HydrophobicContact CG1-CB 4.04Å; V16-L102 HydrophobicContact CG2-CB 3.93Å; N99-L102 HydrophobicContact CB-CB 4.24Å; N99-L102 HydrophobicContact CB-CD1 3.93Å; N99-L102 HydrophobicContact CB-CG 3.93Å; N99-L102 WeakPolarHBondContact O-CB 3.37Å; N99-L102 PolarHBondContact O-N 3.4Å; N99-L102 VanDerWaalsContact O-N 3.09Å; N99-L102 PolarHBondContact OD1-N 3.21Å; N99-L102 VanDerWaalsContact OD1-N 3.1Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 3.34Å; L102-V104 VanDerWaalsContact C-N 3.35Å; L102-V104 PolarHBondContact O-N 3.14Å; L102-S105 PolarHBondContact O-N 3.28Å; L102-L106 WeakPolarHBondContact O-CB 3.48Å; L102-L106 PolarHBondContact O-N 3.42Å
103I98.9Very high98.2Very high0 Ų044.7 Ų44.70%027%0.267CS..Hα-helixtrans-61.1-45173.9-59.8174.7000110.8V16 Q79 V81 F92 A94 A98 N99 T100 S105 L106 E107V16-I103 HydrophobicContact CG1-CG1 3.9Å; Q79-I103 HydrophobicContact CG-CD1 4.45Å; V81-I103 HydrophobicContact CB-CG2 3.93Å; V81-I103 HydrophobicContact CG1-CG2 4.13Å; V81-I103 HydrophobicContact CG2-CB 4.42Å; V81-I103 HydrophobicContact CG2-CD1 3.98Å; V81-I103 HydrophobicContact CG2-CG2 3.92Å; F92-I103 HydrophobicContact CB-CG2 3.47Å; F92-I103 VanDerWaalsContact CB-CG2 3.47Å; F92-I103 HydrophobicContact CD1-CG2 3.84Å; F92-I103 HydrophobicContact CD2-CG2 4.14Å; F92-I103 HydrophobicContact CG-CG2 3.56Å; A94-I103 HydrophobicContact CB-CD1 3.62Å; A98-I103 HydrophobicContact CB-CD1 4.5Å; N99-I103 PolarHBondContact O-N 3.42Å; T100-I103 WeakPolarHBondContact O-CB 3.37Å; T100-I103 PolarHBondContact O-N 2.88Å; I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 3.37Å; I103-L106 PolarHBondContact O-N 3.36Å; I103-E107 PolarHBondContact O-N 3.11Å
104V98.8Very high98Very high36 Ų3644.8 Ų44.822%0.21827%0.267CS..Hα-helixtrans-64.4-37.4176.5173.50000111.6V81 F83 T100 L102 E107 K108V81-V104 HydrophobicContact CG1-CG2 4.44Å; F83-V104 HydrophobicContact CE1-CG2 4.33Å; F83-V104 HydrophobicContact CZ-CB 4.46Å; F83-V104 HydrophobicContact CZ-CG2 4Å; T100-V104 WeakPolarHBondContact O-CG2 3.37Å; T100-V104 PolarHBondContact O-N 3.16Å; L102-V104 VanDerWaalsContact C-N 3.35Å; L102-V104 PolarHBondContact O-N 3.14Å; V104-E107 PolarHBondContact O-N 2.89Å; V104-K108 WeakPolarHBondContact O-CG 3.18Å; V104-K108 PolarHBondContact O-N 3Å
105S98.7Very high97.8Very high67 Ų6748.1 Ų48.147%0.46928%0.283SS..Hα-helixtrans-66.3-41.5175-590000111.8G101 L102 I103 K108 E109G101-S105 WeakPolarHBondContact O-CB 3.4Å; G101-S105 PolarHBondContact O-N 2.83Å; G101-S105 PolarHBondContact O-OG 2.96Å; L102-S105 PolarHBondContact O-N 3.28Å; I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 3.37Å; S105-K108 WeakPolarHBondContact O-CB 3.32Å; S105-K108 PolarHBondContact O-N 2.89Å; S105-E109 PolarHBondContact O-N 3.4Å
106L98.7Very high97.4Very high6 Ų652.9 Ų52.93%0.03130%0.302CS..Hα-helixtrans-64-40.8175.4178.662.5000111.7K12 V16 L19 F92 L102 I103 K108 E109 L110K12-L106 HydrophobicContact CD-CD1 4.22Å; V16-L106 HydrophobicContact CG2-CB 4.39Å; V16-L106 HydrophobicContact CG2-CD2 4.09Å; L19-L106 HydrophobicContact CD2-CD2 3.65Å; F92-L106 HydrophobicContact CD1-CD2 4.43Å; F92-L106 HydrophobicContact CE1-CD2 3.85Å; F92-L106 HydrophobicContact CE1-CG 4.11Å; L102-L106 WeakPolarHBondContact O-CB 3.48Å; L102-L106 PolarHBondContact O-N 3.42Å; I103-L106 PolarHBondContact O-N 3.36Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.03Å; L106-E109 WeakPolarHBondContact O-CB 3.32Å; L106-E109 PolarHBondContact O-N 2.95Å; L106-L110 HydrophobicContact CD1-CD1 3.95Å; L106-L110 HydrophobicContact CD1-CG 4.12Å; L106-L110 HydrophobicContact CG-CD1 3.94Å; L106-L110 HydrophobicContact CG-CG 4.46Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.31Å; L106-L110 PolarHBondContact O-N 3.27Å
107E98.2Very high97.1Very high4 Ų452.2 Ų52.22%0.01930%0.296CS..Hα-helixtrans-60.8-41.7175.1-170-87.616500111.9F83 R85 F92 I103 V104 E109 L110 A111 F114F83-E107 HydrophobicContact CB-CG 4.34Å; F83-E107 HydrophobicContact CD1-CB 4.39Å; F83-E107 HydrophobicContact CD1-CG 3.83Å; F83-E107 HydrophobicContact CD2-CB 4.16Å; F83-E107 HydrophobicContact CD2-CG 3.59Å; F83-E107 HydrophobicContact CE1-CB 3.97Å; F83-E107 HydrophobicContact CE1-CG 3.93Å; F83-E107 HydrophobicContact CE2-CB 3.69Å; F83-E107 HydrophobicContact CE2-CG 3.68Å; F83-E107 HydrophobicContact CG-CB 4.47Å; F83-E107 HydrophobicContact CG-CG 3.65Å; F83-E107 HydrophobicContact CZ-CB 3.59Å; F83-E107 HydrophobicContact CZ-CG 3.86Å; R85-E107 IonicContact CZ-OE1 3.52Å; R85-E107 IonicContact NE-OE1 2.8Å; R85-E107 PolarHBondContact NE-OE1 2.96Å; R85-E107 VanDerWaalsContact NH2-CD 3.32Å; R85-E107 IonicContact NH2-OE1 3.56Å; R85-E107 PolarHBondContact NH2-OE1 3.26Å; R85-E107 IonicContact NH2-OE2 2.84Å; R85-E107 PolarHBondContact NH2-OE2 2.99Å; R85-E107 VanDerWaalsContact NH2-OE2 3.16Å; F92-E107 HydrophobicContact CE2-CB 3.71Å; F92-E107 HydrophobicContact CE2-CG 3.74Å; F92-E107 HydrophobicContact CZ-CB 3.88Å; F92-E107 HydrophobicContact CZ-CG 4.19Å; I103-E107 PolarHBondContact O-N 3.11Å; V104-E107 PolarHBondContact O-N 2.89Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E107-E109 PolarHBondContact O-N 3.39Å; E107-L110 CarbonylContact O-C 3.5Å; E107-L110 PolarHBondContact O-N 2.79Å; E107-A111 PolarHBondContact O-N 3.03Å; E107-F114 HydrophobicContact CG-CE2 4.41Å
108K98.1Very high96.7Very high141 Ų14150.2 Ų50.261%0.61327%0.272SS*.Hα-helixtrans-63.1-39.8176-70.6171.4-177.9176.40112.3V104 S105 L106 L110 A111V104-K108 WeakPolarHBondContact O-CG 3.18Å; V104-K108 PolarHBondContact O-N 3Å; S105-K108 WeakPolarHBondContact O-CB 3.32Å; S105-K108 PolarHBondContact O-N 2.89Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.03Å; K108-L110 VanDerWaalsContact C-N 3.3Å; K108-A111 WeakPolarHBondContact O-CB 3.42Å; K108-A111 PolarHBondContact O-N 3.22Å
109E98.3Very high96.1Very high116 Ų11655 Ų5554%0.54229%0.293SS..Hα-helixtrans-61.3-41.1174.4-172.9-166.4141.600111.3K12 S105 L106 E107 A111 P112K12-E109 IonicContact NZ-OE1 3.16Å; K12-E109 PolarHBondContact NZ-OE1 3.28Å; S105-E109 PolarHBondContact O-N 3.4Å; L106-E109 WeakPolarHBondContact O-CB 3.32Å; L106-E109 PolarHBondContact O-N 2.95Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E107-E109 PolarHBondContact O-N 3.39Å; E109-A111 VanDerWaalsContact C-N 3.35Å; E109-P112 WeakPolarHBondContact O-CD 3.42Å
110L98Very high95.4Very high5 Ų555 Ų553%0.02630%0.296CS..Hα-helixtrans-84.9-4.2-179-62.9175.9000113.7F8 L9 K12 I22 F92 L106 E107 K108 P112 L113 F114F8-L110 HydrophobicContact CE1-CD2 3.7Å; F8-L110 HydrophobicContact CZ-CD2 4.17Å; L9-L110 HydrophobicContact CD2-CD1 4.01Å; L9-L110 HydrophobicContact CD2-CD2 4.35Å; K12-L110 HydrophobicContact CG-CD2 4.47Å; I22-L110 HydrophobicContact CD1-CD1 4.38Å; F92-L110 HydrophobicContact CE1-CD1 4.41Å; F92-L110 HydrophobicContact CZ-CD1 4.29Å; L106-L110 HydrophobicContact CD1-CD1 3.95Å; L106-L110 HydrophobicContact CD1-CG 4.12Å; L106-L110 HydrophobicContact CG-CD1 3.94Å; L106-L110 HydrophobicContact CG-CG 4.46Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.31Å; L106-L110 PolarHBondContact O-N 3.27Å; E107-L110 CarbonylContact O-C 3.5Å; E107-L110 PolarHBondContact O-N 2.79Å; K108-L110 VanDerWaalsContact C-N 3.3Å; L110-P112 VanDerWaalsContact C-CD 3.49Å; L110-L113 HydrophobicContact CD2-CD2 4.26Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.3Å; L110-L113 VanDerWaalsContact O-N 3.14Å; L110-F114 HydrophobicContact CB-CD2 4.01Å; L110-F114 HydrophobicContact CB-CE2 3.38Å; L110-F114 HydrophobicContact CB-CZ 3.78Å; L110-F114 HydrophobicContact CD1-CE2 4.23Å; L110-F114 HydrophobicContact CD1-CZ 3.99Å; L110-F114 HydrophobicContact CG-CE2 4.46Å; L110-F114 VanDerWaalsContact O-CD2 3.31Å; L110-F114 WeakPolarHBondContact O-CD2 3.44Å; L110-F114 PolarHBondContact O-N 3.44Å; L110-F114 VanDerWaalsContact O-N 3.11Å
111A96.9Very high94.5Very high26 Ų2656.5 Ų56.522%0.21531%0.305CS..Hα-helixtrans-57.6-41.4-175.200000114.2E107 K108 E109 L113 F114 E115E107-A111 PolarHBondContact O-N 3.03Å; K108-A111 WeakPolarHBondContact O-CB 3.42Å; K108-A111 PolarHBondContact O-N 3.22Å; E109-A111 VanDerWaalsContact C-N 3.35Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 2.84Å; A111-F114 PolarHBondContact O-N 3.5Å; A111-E115 PolarHBondContact O-N 3.14Å
112P95.9Very high93.3Very high85 Ų8559.5 Ų59.555%0.55231%0.308SS*.Hα-helixtrans-58.6-42.2176.4-24.635.4000112.6E109 L110 F114 E115 E116E109-P112 WeakPolarHBondContact O-CD 3.42Å; L110-P112 VanDerWaalsContact C-CD 3.49Å; P112-F114 PolarHBondContact O-N 3Å; P112-E115 PolarHBondContact O-N 3.13Å; P112-E116 PolarHBondContact O-N 3.46Å
113L94.7Very high91.6Very high35 Ų3561.5 Ų61.518%0.18332%0.324CS..Hα-helixtrans-63.6-41.4177.2165.468.7000112L5 F8 L9 L110 A111 E115 E116 L117L5-L113 HydrophobicContact CD1-CD1 3.53Å; L5-L113 HydrophobicContact CD1-CD2 3.6Å; L5-L113 HydrophobicContact CD1-CG 4.03Å; L5-L113 HydrophobicContact CD2-CD1 4.16Å; F8-L113 HydrophobicContact CD1-CD2 4.16Å; F8-L113 HydrophobicContact CE1-CD2 3.92Å; L9-L113 HydrophobicContact CD2-CD2 4.04Å; L110-L113 HydrophobicContact CD2-CD2 4.26Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.3Å; L110-L113 VanDerWaalsContact O-N 3.14Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 2.84Å; L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E116 PolarHBondContact O-N 3.03Å; L113-L117 WeakPolarHBondContact O-CG 3.37Å; L113-L117 PolarHBondContact O-N 3.25Å; L113-L117 VanDerWaalsContact O-N 3.14Å
114F94.9Very high89.5Confident2 Ų268.9 Ų68.91%0.00938%0.376CS..Hα-helixtrans-70.2-30177.3-60.7-44.1000112.6I22 V24 V90 F92 E107 L110 A111 P112 L117 R118I22-F114 HydrophobicContact CG2-CZ 4.37Å; V24-F114 HydrophobicContact CG2-CD1 3.85Å; V24-F114 HydrophobicContact CG2-CE1 3.58Å; V90-F114 HydrophobicContact CB-CE2 4.48Å; V90-F114 HydrophobicContact CG1-CD2 4.08Å; V90-F114 HydrophobicContact CG1-CE1 4.13Å; V90-F114 HydrophobicContact CG1-CE2 3.56Å; V90-F114 HydrophobicContact CG1-CZ 3.6Å; V90-F114 HydrophobicContact CG2-CB 4.23Å; V90-F114 HydrophobicContact CG2-CD1 4.08Å; V90-F114 HydrophobicContact CG2-CD2 3.89Å; V90-F114 HydrophobicContact CG2-CE1 4.42Å; V90-F114 HydrophobicContact CG2-CE2 4.23Å; V90-F114 HydrophobicContact CG2-CG 3.81Å; V90-F114 HydrophobicContact CG2-CZ 4.49Å; F92-F114 HydrophobicContact CZ-CE2 4.32Å; F92-F114 HydrophobicContact CZ-CZ 4.44Å; E107-F114 HydrophobicContact CG-CE2 4.41Å; L110-F114 HydrophobicContact CB-CD2 4.01Å; L110-F114 HydrophobicContact CB-CE2 3.38Å; L110-F114 HydrophobicContact CB-CZ 3.78Å; L110-F114 HydrophobicContact CD1-CE2 4.23Å; L110-F114 HydrophobicContact CD1-CZ 3.99Å; L110-F114 HydrophobicContact CG-CE2 4.46Å; L110-F114 VanDerWaalsContact O-CD2 3.31Å; L110-F114 WeakPolarHBondContact O-CD2 3.44Å; L110-F114 PolarHBondContact O-N 3.44Å; L110-F114 VanDerWaalsContact O-N 3.11Å; A111-F114 PolarHBondContact O-N 3.5Å; P112-F114 PolarHBondContact O-N 3Å; F114-L117 HydrophobicContact CD1-CD1 4.21Å; F114-R118 WeakPolarHBondContact O-CB 3.5Å; F114-R118 PolarHBondContact O-N 3Å
115E94.1Very high89Confident71 Ų7170.5 Ų70.533%0.33238%0.383SS..Hα-helixtrans-70.5-39.3174.5-168.460.7-154.900111.7A111 P112 L113 L117 R118 Q119A111-E115 PolarHBondContact O-N 3.14Å; P112-E115 PolarHBondContact O-N 3.13Å; L113-E115 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 3.49Å; E115-R118 WeakPolarHBondContact O-CB 3.29Å; E115-R118 PolarHBondContact O-N 2.8Å; E115-R118 IonicContact OE1-NH1 2.68Å; E115-R118 IonicContact OE2-NH1 2.62Å; E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.35Å
116E91.7Very high88.5Confident123 Ų12370.7 Ų70.758%0.57538%0.379SS*.Hα-helixtrans-59.5-46.7171.6-72.3176.4-168.300111.5P112 L113 R118 Q119 V120P112-E116 PolarHBondContact O-N 3.46Å; L113-E116 PolarHBondContact O-N 3.03Å; E116-R118 VanDerWaalsContact C-N 3.28Å; E116-R118 PolarHBondContact O-N 2.98Å; E116-Q119 PolarHBondContact O-N 3.29Å; E116-V120 PolarHBondContact O-N 3.06Å
117L90.8Very high88Confident28 Ų2874.3 Ų74.315%0.14740%0.398CS..Hα-helixtrans-59.6-40.1175.8-74.4174.4000112.4L5 I33 L88 L113 F114 E115 V120 V121L5-L117 HydrophobicContact CD2-CD1 4.07Å; L5-L117 HydrophobicContact CD2-CD2 3.78Å; L5-L117 HydrophobicContact CD2-CG 4.25Å; I33-L117 HydrophobicContact CD1-CD1 3.68Å; I33-L117 HydrophobicContact CD1-CD2 3.94Å; I33-L117 HydrophobicContact CD1-CG 4.48Å; L88-L117 HydrophobicContact CD1-CB 4.1Å; L113-L117 WeakPolarHBondContact O-CG 3.37Å; L113-L117 PolarHBondContact O-N 3.25Å; L113-L117 VanDerWaalsContact O-N 3.14Å; F114-L117 HydrophobicContact CD1-CD1 4.21Å; E115-L117 PolarHBondContact O-N 3.49Å; L117-V120 PolarHBondContact O-N 3.36Å; L117-V121 PolarHBondContact O-N 3.23Å
118R89.4Confident87.3Confident63 Ų6378.4 Ų78.424%0.23842%0.421CS..Hα-helixtrans-62.6-42.8179.6-176.9-178.5165.5-150.1-8.9111.6L86 L88 F114 E115 E116 V120 V121 E122L86-R118 PolarHBondContact O-NE 3.17Å; L88-R118 HydrophobicContact CD1-CB 4.12Å; F114-R118 WeakPolarHBondContact O-CB 3.5Å; F114-R118 PolarHBondContact O-N 3Å; E115-R118 WeakPolarHBondContact O-CB 3.29Å; E115-R118 PolarHBondContact O-N 2.8Å; E115-R118 IonicContact OE1-NH1 2.68Å; E115-R118 IonicContact OE2-NH1 2.62Å; E116-R118 VanDerWaalsContact C-N 3.28Å; E116-R118 PolarHBondContact O-N 2.98Å; R118-V120 VanDerWaalsContact C-N 3.3Å; R118-V120 PolarHBondContact O-N 3.15Å; R118-V121 PolarHBondContact O-N 3.39Å; R118-V121 VanDerWaalsContact O-N 3.15Å; R118-E122 HydrophobicContact CG-CG 4.45Å; R118-E122 IonicContact CZ-OE1 2.68Å; R118-E122 VanDerWaalsContact CZ-OE1 3.23Å; R118-E122 IonicContact NE-OE1 2.97Å; R118-E122 PolarHBondContact NE-OE1 3.41Å; R118-E122 IonicContact NH2-OE1 3.23Å; R118-E122 PolarHBondContact NH2-OE1 3.35Å; R118-E122 PolarHBondContact O-N 3.35Å
119Q87.6Confident86.7Confident109 Ų10974.5 Ų74.551%0.50941%0.409SS..Hα-helixtrans-61.1-38178.2-70.5173.59.900112.4E115 E116 V121 E122 V123E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.35Å; E116-Q119 PolarHBondContact O-N 3.29Å; Q119-V121 VanDerWaalsContact C-N 3.29Å; Q119-V121 PolarHBondContact O-N 2.75Å; Q119-E122 PolarHBondContact O-N 3.47Å; Q119-V123 VanDerWaalsContact O-CG2 3.26Å; Q119-V123 WeakPolarHBondContact O-CG2 3.26Å; Q119-V123 PolarHBondContact O-N 3.03Å
120V83.7Confident85.9Confident92 Ų9271.7 Ų71.756%0.55840%0.4SS*.Hα-helixtrans-63.5-37.2176.6-178.10000111.7E116 L117 R118 S124E116-V120 PolarHBondContact O-N 3.06Å; L117-V120 PolarHBondContact O-N 3.36Å; R118-V120 VanDerWaalsContact C-N 3.3Å; R118-V120 PolarHBondContact O-N 3.15Å; V120-S124 PolarHBondContact O-OG 3.4Å
121V80Confident85Confident52 Ų5276.5 Ų76.532%0.31543%0.426SS..Hα-helixtrans-76.8-33.3180176.60000112.1P87 L88 L117 R118 Q119 V123 S124P87-V121 HydrophobicContact CG-CG1 4.31Å; L88-V121 HydrophobicContact CD1-CG2 4.49Å; L88-V121 HydrophobicContact CD2-CG2 4.26Å; L117-V121 PolarHBondContact O-N 3.23Å; R118-V121 PolarHBondContact O-N 3.39Å; R118-V121 VanDerWaalsContact O-N 3.15Å; Q119-V121 VanDerWaalsContact C-N 3.29Å; Q119-V121 PolarHBondContact O-N 2.75Å; V121-V123 VanDerWaalsContact C-N 3.3Å; V121-V123 PolarHBondContact O-N 3.47Å; V121-S124 PolarHBondContact O-N 3.28Å
122E73.7Confident84.1Confident101 Ų10180.4 Ų80.447%0.47244%0.443SS..Hα-helixtrans-72.2-21.5177.2-73.9-176.4179.200113.6P87 R118 Q119P87-E122 VanDerWaalsContact CD-OE1 3.29Å; P87-E122 WeakPolarHBondContact CD-OE1 3.42Å; P87-E122 HydrophobicContact CG-CG 3.88Å; R118-E122 HydrophobicContact CG-CG 4.45Å; R118-E122 IonicContact CZ-OE1 2.68Å; R118-E122 VanDerWaalsContact CZ-OE1 3.23Å; R118-E122 IonicContact NE-OE1 2.97Å; R118-E122 PolarHBondContact NE-OE1 3.41Å; R118-E122 IonicContact NH2-OE1 3.23Å; R118-E122 PolarHBondContact NH2-OE1 3.35Å; R118-E122 PolarHBondContact O-N 3.35Å; Q119-E122 PolarHBondContact O-N 3.47Å
123V62.5Low83.1Confident129 Ų12980 Ų8078%0.78243%0.434SS*.THydrogen-bonded Turntrans-87.8-11.6178.7177.20000112.6Q119 V121Q119-V123 VanDerWaalsContact O-CG2 3.26Å; Q119-V123 WeakPolarHBondContact O-CG2 3.26Å; Q119-V123 PolarHBondContact O-N 3.03Å; V121-V123 VanDerWaalsContact C-N 3.3Å; V121-V123 PolarHBondContact O-N 3.47Å
124S54.6Low82.1Confident155 Ų15584.1 Ų84.1100%1.08446%0.456SS*.  trans-95.20-178.8-57.90000112.1V120 V121V120-S124 PolarHBondContact O-OG 3.4Å; V121-S124 PolarHBondContact O-N 3.28Å

Retrieved 124 of 124 residues in 29.3 ms (Link to these results)