A0A087XIV9_POEFO Loading...

Late endosomal/lysosomal adaptor, MAPK and MTOR activator 3

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.

AlphaFold DB , UniProt , Accession A0A087XIV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 124 aa.

Structure Viewer
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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
1M70Confident90.1Very high185 Ų185102.8 Ų102.891%0.91149%0.487SS*.  0-64.60-163.4165.8158.400112.5D3 D4 L5M1-D3 PolarHBondContact O-N 3.35Å; M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.12Å; M1-D4 PolarHBondContact O-N 2.97Å; M1-L5 PolarHBondContact O-N 3.2Å
2A78.4Confident90.6Very high75 Ų7597.1 Ų97.162%0.6246%0.46SS*.Hα-helixtrans-62.4-42.8177.600000113D4 L5 K6A2-D4 VanDerWaalsContact C-N 3.34Å; A2-D4 PolarHBondContact O-N 3.09Å; A2-L5 PolarHBondContact O-N 3.36Å; A2-K6 WeakPolarHBondContact O-CB 3.44Å; A2-K6 PolarHBondContact O-N 3.46Å
3D86.9Confident91.1Very high112 Ų11290.5 Ų90.560%0.59943%0.429SS*.Hα-helixtrans-66.5-34.3176.4-68.6-42.6000113.1M1 K6 R7M1-D3 PolarHBondContact O-N 3.35Å; D3-K6 PolarHBondContact O-N 3.28Å; D3-R7 WeakPolarHBondContact O-CB 3.43Å; D3-R7 VanDerWaalsContact O-CG 3.28Å; D3-R7 WeakPolarHBondContact O-CG 3.26Å; D3-R7 PolarHBondContact O-N 3.1Å
4D90.8Very high91.5Very high93 Ų9396.5 Ų96.550%0.49746%0.457SS..Hα-helixtrans-68.1-42.7177.6-54.2-54.5000110.7M1 A2 K6 R7 Y8M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.12Å; M1-D4 PolarHBondContact O-N 2.97Å; A2-D4 VanDerWaalsContact C-N 3.34Å; A2-D4 PolarHBondContact O-N 3.09Å; D4-K6 VanDerWaalsContact C-N 3.34Å; D4-R7 PolarHBondContact O-N 3Å; D4-Y8 WeakPolarHBondContact O-CB 3.18Å; D4-Y8 PolarHBondContact O-N 3.01Å
5L90.9Very high91.8Very high28 Ų2894.1 Ų94.115%0.14745%0.454CS..Hα-helixtrans-62.9-42.5173.5-17661.4000111M1 A2 R7 Y8 L9 I33 L117M1-L5 PolarHBondContact O-N 3.2Å; A2-L5 PolarHBondContact O-N 3.36Å; L5-R7 PolarHBondContact O-N 3.38Å; L5-Y8 HydrophobicContact CD1-CD1 4.39Å; L5-Y8 PolarHBondContact O-N 2.78Å; L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 HydrophobicContact CD1-CG 4.21Å; L5-L9 HydrophobicContact CG-CD1 4.14Å; L5-L9 HydrophobicContact CG-CG 4.33Å; L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 2.92Å; L5-I33 HydrophobicContact CB-CD1 4.13Å; L5-I33 HydrophobicContact CD2-CD1 3.91Å; L5-I33 HydrophobicContact CG-CD1 3.81Å; L5-L117 HydrophobicContact CD2-CD1 3.79Å; L5-L117 HydrophobicContact CD2-CD2 3.86Å; L5-L117 HydrophobicContact CD2-CG 4.12Å
6K94.1Very high92.2Very high105 Ų10588.5 Ų88.546%0.45743%0.428SS..Hα-helixtrans-61.1-44.2176.2-166.5178.9-179.6-179.30111.6A2 D3 D4 L9 Y10 I33 K34 V35A2-K6 WeakPolarHBondContact O-CB 3.44Å; A2-K6 PolarHBondContact O-N 3.46Å; D3-K6 PolarHBondContact O-N 3.28Å; D4-K6 VanDerWaalsContact C-N 3.34Å; K6-L9 PolarHBondContact O-N 3.33Å; K6-Y10 WeakPolarHBondContact O-CB 3.32Å; K6-Y10 PolarHBondContact O-N 3.17Å; K6-I33 HydrophobicContact CB-CD1 4.03Å; K6-K34 WeakPolarHBondContact CE-O 3.49Å; K6-V35 HydrophobicContact CB-CG1 4.47Å; K6-V35 HydrophobicContact CG-CG1 3.53Å; K6-V35 WeakPolarHBondContact O-CG1 3.47Å
7R95.6Very high92.5Very high173 Ų17393.9 Ų93.965%0.65345%0.452SS*.Hα-helixtrans-62.8-42175.1-74171.1-179.9178.80.2111.9D3 D4 L5 Y10 K11D3-R7 WeakPolarHBondContact O-CB 3.43Å; D3-R7 VanDerWaalsContact O-CG 3.28Å; D3-R7 WeakPolarHBondContact O-CG 3.26Å; D3-R7 PolarHBondContact O-N 3.1Å; D4-R7 PolarHBondContact O-N 3Å; L5-R7 PolarHBondContact O-N 3.38Å; R7-Y10 PolarHBondContact O-N 3.2Å; R7-K11 WeakPolarHBondContact O-CG 3.48Å; R7-K11 PolarHBondContact O-N 3.31Å; R7-K11 VanDerWaalsContact O-N 3.13Å
8Y95.2Very high92.8Very high88 Ų8890.1 Ų90.135%0.34544%0.441SS..Hα-helixtrans-62.2-51.9176.2172.8-96.7000111.4D4 L5 Y10 K11 Q12 L110 L113D4-Y8 WeakPolarHBondContact O-CB 3.18Å; D4-Y8 PolarHBondContact O-N 3.01Å; L5-Y8 HydrophobicContact CD1-CD1 4.39Å; L5-Y8 PolarHBondContact O-N 2.78Å; Y8-Y10 VanDerWaalsContact C-N 3.26Å; Y8-Y10 PolarHBondContact O-N 3.3Å; Y8-K11 WeakPolarHBondContact O-CB 3.29Å; Y8-K11 PolarHBondContact O-N 3.31Å; Y8-Q12 HydrophobicContact CD1-CG 4.31Å; Y8-Q12 HydrophobicContact CE1-CG 3.88Å; Y8-Q12 HydrophobicContact CE2-CG 4.48Å; Y8-Q12 WeakPolarHBondContact O-CG 3.14Å; Y8-Q12 PolarHBondContact O-N 3.47Å; Y8-Q12 VanDerWaalsContact O-N 3.08Å; Y8-Q12 PolarHBondContact OH-NE2 3.02Å; Y8-L110 HydrophobicContact CE1-CD2 3.81Å; Y8-L113 HydrophobicContact CD1-CD1 4.21Å; Y8-L113 HydrophobicContact CE1-CD1 3.47Å; Y8-L113 VanDerWaalsContact CE1-CD1 3.47Å
9L95.8Very high93.1Very high0 Ų085.5 Ų85.50%042%0.419CS..Hα-helixtrans-60.8-36.3178.2-67.6177.6000112L5 K6 K11 Q12 L13 V22 I33 V35 L110L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 HydrophobicContact CD1-CG 4.21Å; L5-L9 HydrophobicContact CG-CD1 4.14Å; L5-L9 HydrophobicContact CG-CG 4.33Å; L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 2.92Å; K6-L9 PolarHBondContact O-N 3.33Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 2.8Å; L9-Q12 WeakPolarHBondContact O-CB 3.49Å; L9-Q12 PolarHBondContact O-N 3.36Å; L9-Q12 VanDerWaalsContact O-N 3.16Å; L9-L13 PolarHBondContact O-N 3.18Å; L9-V22 HydrophobicContact CD2-CG1 4.48Å; L9-I33 HydrophobicContact CD1-CD1 3.76Å; L9-I33 HydrophobicContact CD1-CG1 4.07Å; L9-I33 HydrophobicContact CD1-CG2 4.07Å; L9-V35 HydrophobicContact CB-CG1 4.08Å; L9-V35 HydrophobicContact CB-CG2 3.73Å; L9-L110 HydrophobicContact CD2-CD1 4.11Å; L9-L110 HydrophobicContact CD2-CD2 3.71Å; L9-L110 HydrophobicContact CD2-CG 4.48Å
10Y96.9Very high93.4Very high122 Ų12282.5 Ų82.548%0.47840%0.403SS..Hα-helixtrans-63.3-39.9175.3-166.7-89000111.9K6 R7 Y8 Q12 L13 V35K6-Y10 WeakPolarHBondContact O-CB 3.32Å; K6-Y10 PolarHBondContact O-N 3.17Å; R7-Y10 PolarHBondContact O-N 3.2Å; Y8-Y10 VanDerWaalsContact C-N 3.26Å; Y8-Y10 PolarHBondContact O-N 3.3Å; Y10-Q12 VanDerWaalsContact C-N 3.29Å; Y10-Q12 PolarHBondContact O-N 2.83Å; Y10-L13 HydrophobicContact CD2-CD1 3.97Å; Y10-L13 HydrophobicContact CE2-CD1 4.11Å; Y10-L13 HydrophobicContact CG-CD1 4.42Å; Y10-L13 WeakPolarHBondContact O-CB 3.35Å; Y10-L13 WeakPolarHBondContact O-CG 3.3Å; Y10-L13 PolarHBondContact O-N 3.35Å; Y10-V35 HydrophobicContact CD2-CB 4.2Å
11K96.8Very high93.6Very high150 Ų15078.5 Ų78.565%0.65238%0.384SS*.Hα-helixtrans-64.1-34.7173.2-70177.4179.7-175.80112R7 Y8 L9 L13 Q14R7-K11 WeakPolarHBondContact O-CG 3.48Å; R7-K11 PolarHBondContact O-N 3.31Å; R7-K11 VanDerWaalsContact O-N 3.13Å; Y8-K11 WeakPolarHBondContact O-CB 3.29Å; Y8-K11 PolarHBondContact O-N 3.31Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 2.8Å; K11-L13 PolarHBondContact O-N 3.13Å; K11-Q14 PolarHBondContact O-N 2.88Å; K11-Q14 VanDerWaalsContact O-N 3.11Å
12Q95.8Very high95Very high34 Ų3469.8 Ų69.816%0.15934%0.341CS..Hα-helixtrans-66.4-14.1176.7-64.5-60-23.300113.6Y8 L9 Y10 Q14 S15 L106 L110Y8-Q12 HydrophobicContact CD1-CG 4.31Å; Y8-Q12 HydrophobicContact CE1-CG 3.88Å; Y8-Q12 HydrophobicContact CE2-CG 4.48Å; Y8-Q12 WeakPolarHBondContact O-CG 3.14Å; Y8-Q12 PolarHBondContact O-N 3.47Å; Y8-Q12 VanDerWaalsContact O-N 3.08Å; Y8-Q12 PolarHBondContact OH-NE2 3.02Å; L9-Q12 WeakPolarHBondContact O-CB 3.49Å; L9-Q12 PolarHBondContact O-N 3.36Å; L9-Q12 VanDerWaalsContact O-N 3.16Å; Y10-Q12 VanDerWaalsContact C-N 3.29Å; Y10-Q12 PolarHBondContact O-N 2.83Å; Q12-Q14 PolarHBondContact O-N 2.96Å; Q12-Q14 VanDerWaalsContact O-N 3.13Å; Q12-S15 PolarHBondContact O-N 3.45Å; Q12-S15 VanDerWaalsContact O-N 3.12Å; Q12-S15 PolarHBondContact O-OG 3.21Å; Q12-S15 PolarHBondContact OE1-OG 3.18Å; Q12-L106 HydrophobicContact CB-CD1 4.45Å; Q12-L110 HydrophobicContact CG-CD2 4.25Å
13L97.5Very high95.9Very high11 Ų1166.2 Ų66.26%0.05831%0.312CS..THydrogen-bonded Turntrans-61.1-20.7170.4-61.2179.1000112.7L9 Y10 K11 L19 V22 V35 N37L9-L13 PolarHBondContact O-N 3.18Å; Y10-L13 HydrophobicContact CD2-CD1 3.97Å; Y10-L13 HydrophobicContact CE2-CD1 4.11Å; Y10-L13 HydrophobicContact CG-CD1 4.42Å; Y10-L13 WeakPolarHBondContact O-CB 3.35Å; Y10-L13 WeakPolarHBondContact O-CG 3.3Å; Y10-L13 PolarHBondContact O-N 3.35Å; K11-L13 PolarHBondContact O-N 3.13Å; L13-L19 HydrophobicContact CD2-CD2 4.21Å; L13-L19 HydrophobicContact CD2-CG 3.99Å; L13-V22 HydrophobicContact CD2-CG2 3.87Å; L13-V35 HydrophobicContact CD2-CG2 4.41Å; L13-N37 HydrophobicContact CD1-CB 4.35Å
14Q96.4Very high96.4Very high175 Ų17560.9 Ų60.982%0.81828%0.283SS*.THydrogen-bonded Turntrans-91.2-8.7178.6-61.1-178.6-21.600113.6K11 Q12 V16K11-Q14 PolarHBondContact O-N 2.88Å; K11-Q14 VanDerWaalsContact O-N 3.11Å; Q12-Q14 PolarHBondContact O-N 2.96Å; Q12-Q14 VanDerWaalsContact O-N 3.13Å; Q14-V16 VanDerWaalsContact C-N 3.3Å
15S96.4Very high96.6Very high60 Ų6056.5 Ų56.542%0.4226%0.26SS..THydrogen-bonded Turntrans-76.4-20.8-178.765.60000112.9Q12Q12-S15 PolarHBondContact O-N 3.45Å; Q12-S15 VanDerWaalsContact O-N 3.12Å; Q12-S15 PolarHBondContact O-OG 3.21Å; Q12-S15 PolarHBondContact OE1-OG 3.18Å
16V97.6Very high96.8Very high5 Ų556.8 Ų56.83%0.0326%0.261CS..SBendtrans-127120.1174.5-176.50000109.1Q14 G18 L19 L102 I103 L106Q14-V16 VanDerWaalsContact C-N 3.3Å; V16-G18 PolarHBondContact O-N 2.95Å; V16-L19 HydrophobicContact CB-CB 4.09Å; V16-L19 HydrophobicContact CB-CD2 4.46Å; V16-L19 WeakPolarHBondContact O-CB 3.32Å; V16-L19 PolarHBondContact O-N 3.2Å; V16-L102 HydrophobicContact CG1-CB 4.07Å; V16-L102 HydrophobicContact CG2-CB 3.93Å; V16-I103 HydrophobicContact CG1-CG1 3.9Å; V16-L106 HydrophobicContact CG2-CB 4.45Å; V16-L106 HydrophobicContact CG2-CD2 4.17Å
17E98Very high96.8Very high181 Ų18157.7 Ų57.785%0.84626%0.262SS*.THydrogen-bonded Turntrans-58.5128.6175.9-171.8-179.2175.100110.6A98E17-A98 WeakPolarHBondContact O-CB 3.48Å
18G97.9Very high96.7Very high24 Ų2455.1 Ų55.125%0.24726%0.261CS..THydrogen-bonded Turntrans82.34.4-178.100000114.9V16 H20 A94 S95V16-G18 PolarHBondContact O-N 2.95Å; G18-H20 PolarHBondContact O-CE1 3.01Å; G18-H20 PolarHBondContact O-ND1 2.99Å; G18-H20 PolarHBondContact O-NE2 2.81Å; G18-A94 CarbonylContact O-C 2.9Å; G18-A94 WeakPolarHBondContact O-CA 3.34Å; G18-A94 VanDerWaalsContact O-CB 3.29Å; G18-A94 WeakPolarHBondContact O-CB 3.27Å; G18-S95 PolarHBondContact O-N 3.4Å
19L98.6Very high96.7Very high3 Ų350.9 Ų50.92%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-72.3129.4170-175.663.3000110.4L13 V16 V22 N37 L92 A94 L106L13-L19 HydrophobicContact CD2-CD2 4.21Å; L13-L19 HydrophobicContact CD2-CG 3.99Å; V16-L19 HydrophobicContact CB-CB 4.09Å; V16-L19 HydrophobicContact CB-CD2 4.46Å; V16-L19 WeakPolarHBondContact O-CB 3.32Å; V16-L19 PolarHBondContact O-N 3.2Å; L19-V22 HydrophobicContact CD2-CG2 4.38Å; L19-N37 PolarHBondContact O-ND2 2.87Å; L19-L92 HydrophobicContact CD1-CB 4.16Å; L19-L92 HydrophobicContact CD1-CD2 4.37Å; L19-A94 HydrophobicContact CD1-CB 4.18Å; L19-L106 HydrophobicContact CD2-CD2 3.56Å
20H98.4Very high96.7Very high25 Ų2554.6 Ų54.612%0.11627%0.267CS..EExtended strand (participates in β ladder)trans-113.4-34.6-172.9-58.7-33.1000113G18 A36 N37 A40 I93 S95G18-H20 PolarHBondContact O-CE1 3.01Å; G18-H20 PolarHBondContact O-ND1 2.99Å; G18-H20 PolarHBondContact O-NE2 2.81Å; H20-A36 CarbonylContact O-C 3.49Å; H20-A36 VanDerWaalsContact O-CA 3.27Å; H20-A36 WeakPolarHBondContact O-CA 3.35Å; H20-N37 WeakPolarHBondContact CA-OD1 3.49Å; H20-N37 PolarHBondContact O-N 3.26Å; H20-N37 PolarHBondContact O-OD1 3.45Å; H20-A40 HydrophobicContact CB-CB 3.92Å; H20-I93 WeakPolarHBondContact CA-O 3.21Å; H20-I93 WeakPolarHBondContact CB-O 3.42Å; H20-I93 PolarHBondContact N-O 3.28Å; H20-S95 PolarHBondContact CD2-N 3.28Å; H20-S95 PolarHBondContact NE2-N 2.79Å
21A98.5Very high96.5Very high0 Ų051.7 Ų51.70%026%0.263CS..EExtended strand (participates in β ladder)trans-149.6149.2178.700000113.3V23 V35 A36 A40 L45 I93A21-V23 HydrophobicContact CB-CG2 4.28Å; A21-V35 CarbonylContact C-O 3.42Å; A21-V35 WeakPolarHBondContact CA-O 3.38Å; A21-V35 VanDerWaalsContact CB-O 3.32Å; A21-V35 WeakPolarHBondContact CB-O 3.33Å; A21-A36 HydrophobicContact CB-CB 3.8Å; A21-A40 HydrophobicContact CB-CB 4.18Å; A21-L45 HydrophobicContact CB-CD2 3.67Å; A21-I93 HydrophobicContact CB-CB 4.23Å; A21-I93 HydrophobicContact CB-CD1 4.32Å; A21-I93 PolarHBondContact N-O 3.13Å; A21-I93 PolarHBondContact O-N 3.36Å
22V98Very high96.4Very high1 Ų146.8 Ų46.81%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-119.2120.9163.7-174.80000107.3L9 L13 L19 V35 L92 L110L9-V22 HydrophobicContact CD2-CG1 4.48Å; L13-V22 HydrophobicContact CD2-CG2 3.87Å; L19-V22 HydrophobicContact CD2-CG2 4.38Å; V22-V35 HydrophobicContact CB-CG2 3.69Å; V22-V35 HydrophobicContact CG2-CG2 4.15Å; V22-V35 PolarHBondContact N-O 3.12Å; V22-V35 PolarHBondContact O-N 3.17Å; V22-L92 HydrophobicContact CB-CD2 3.93Å; V22-L92 HydrophobicContact CG1-CD2 3.71Å; V22-L92 HydrophobicContact CG2-CD2 3.48Å; V22-L92 VanDerWaalsContact CG2-CD2 3.48Å; V22-L110 HydrophobicContact CG1-CD1 4.33Å
23V97.6Very high96.3Very high1 Ų146 Ų461%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-126.5125.8-179.7-161.60000108.9A21 T25 K34 L45 L50 S91 I93A21-V23 HydrophobicContact CB-CG2 4.28Å; V23-T25 HydrophobicContact CG1-CG2 3.73Å; V23-K34 HydrophobicContact CG1-CB 4.22Å; V23-K34 HydrophobicContact CG1-CD 4.33Å; V23-K34 HydrophobicContact CG1-CG 4.12Å; V23-K34 HydrophobicContact CG2-CG 4.14Å; V23-L45 HydrophobicContact CG2-CD2 3.68Å; V23-L50 HydrophobicContact CB-CD1 4.46Å; V23-L50 HydrophobicContact CG1-CD1 3.85Å; V23-S91 PolarHBondContact N-O 3.35Å; V23-S91 PolarHBondContact O-N 2.84Å; V23-I93 HydrophobicContact CG2-CD1 4.39Å
24V96.8Very high96.3Very high0 Ų049.8 Ų49.80%026%0.258CS..EExtended strand (participates in β ladder)trans-110.5122.5170.3-176.10000107.3V32 I33 L88 V89 I114V24-V32 PolarHBondContact O-N 2.96Å; V24-I33 HydrophobicContact CB-CG2 3.59Å; V24-I33 HydrophobicContact CG2-CG2 3.59Å; V24-I33 PolarHBondContact N-O 3.09Å; V24-I33 PolarHBondContact O-N 2.82Å; V24-L88 HydrophobicContact CG1-CB 4.28Å; V24-L88 HydrophobicContact CG1-CD1 4.18Å; V24-L88 HydrophobicContact CG1-CD2 4.14Å; V24-L88 HydrophobicContact CG1-CG 4.44Å; V24-V89 WeakPolarHBondContact CA-O 3.33Å; V24-I114 HydrophobicContact CG1-CG2 3.84Å; V24-I114 HydrophobicContact CG2-CD1 3.8Å; V24-I114 HydrophobicContact CG2-CG1 4.14Å; V24-I114 HydrophobicContact CG2-CG2 4.12Å
25T96.4Very high96.3Very high1 Ų141.7 Ų41.71%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-125.9168.1-179.567.10000111.2V23 V30 L50 L88 V89V23-T25 HydrophobicContact CG1-CG2 3.73Å; T25-V30 WeakPolarHBondContact CA-O 3.4Å; T25-V30 VanDerWaalsContact CB-O 3.29Å; T25-V30 WeakPolarHBondContact CB-O 3.37Å; T25-L50 HydrophobicContact CG2-CB 4.48Å; T25-L50 HydrophobicContact CG2-CD1 3.69Å; T25-L88 CarbonylContact O-C 3.49Å; T25-L88 WeakPolarHBondContact O-CA 3.39Å; T25-V89 PolarHBondContact N-O 3.1Å; T25-V89 PolarHBondContact O-N 3.18Å
26D94.6Very high96.4Very high33 Ų3340.4 Ų40.418%0.17621%0.214CC..  trans-74.7-169.1155.866.712.7000111.3D28 G29 V30 V121D26-D28 VanDerWaalsContact C-N 3.31Å; D26-D28 PolarHBondContact O-N 3.28Å; D26-D28 WeakPolarHBondContact OD1-CA 3.42Å; D26-D28 PolarHBondContact OD1-N 3.45Å; D26-G29 PolarHBondContact O-N 2.78Å; D26-G29 PolarHBondContact OD1-N 2.97Å; D26-V30 PolarHBondContact N-O 2.93Å; D26-V30 VanDerWaalsContact N-O 3.13Å; D26-V30 PolarHBondContact OD1-N 3.07Å; D26-V30 WeakPolarHBondContact OD2-CB 3.23Å; D26-V121 HydrophobicContact CB-CG1 3.91Å
27R93.6Very high96.4Very high124 Ų12441.9 Ų41.947%0.46822%0.222SC..THydrogen-bonded Turntrans-67.9-27.5178.1-65.7-175.2-177.8-174.90.6113.9G29 A54 L86R27-G29 PolarHBondContact O-N 2.88Å; R27-A54 HydrophobicContact CB-CB 4.19Å; R27-A54 WeakPolarHBondContact O-CB 3.44Å; R27-L86 HydrophobicContact CG-CD2 3.55Å
28D93.8Very high96.3Very high119 Ų11941.4 Ų41.464%0.63623%0.225SC*.THydrogen-bonded Turntrans-87.51.5-178.4-63.2-38.4000111.9D26 V30D26-D28 VanDerWaalsContact C-N 3.31Å; D26-D28 PolarHBondContact O-N 3.28Å; D26-D28 WeakPolarHBondContact OD1-CA 3.42Å; D26-D28 PolarHBondContact OD1-N 3.45Å; D28-V30 VanDerWaalsContact C-N 3.31Å; D28-V30 HydrophobicContact CB-CG2 4.29Å
29G94.6Very high96.3Very high0 Ų045.9 Ų45.90%024%0.243CC..  trans80.212.4179.900000113.1D26 R27 P47D26-G29 PolarHBondContact O-N 2.78Å; D26-G29 PolarHBondContact OD1-N 2.97Å; R27-G29 PolarHBondContact O-N 2.88Å; G29-P47 WeakPolarHBondContact O-CA 3.47Å; G29-P47 WeakPolarHBondContact O-CB 3.45Å
30V95.6Very high96.2Very high78 Ų7846.2 Ų46.247%0.47325%0.246SC..  trans-72.2123.1176.3-174.60000108.5T25 D26 D28 V32T25-V30 WeakPolarHBondContact CA-O 3.4Å; T25-V30 VanDerWaalsContact CB-O 3.29Å; T25-V30 WeakPolarHBondContact CB-O 3.37Å; D26-V30 PolarHBondContact N-O 2.93Å; D26-V30 VanDerWaalsContact N-O 3.13Å; D26-V30 PolarHBondContact OD1-N 3.07Å; D26-V30 WeakPolarHBondContact OD2-CB 3.23Å; D28-V30 VanDerWaalsContact C-N 3.31Å; D28-V30 HydrophobicContact CB-CG2 4.29Å; V30-V32 PolarHBondContact O-N 2.94Å
31P94Very high96.1Very high61 Ų6146.2 Ų46.240%0.39625%0.249SC..EExtended strand (participates in β ladder)trans-74122-173.828.6-33.8000112K34P31-K34 HydrophobicContact CB-CB 4.39Å
32V94Very high96Very high47 Ų4751 Ų5129%0.28528%0.278SS..EExtended strand (participates in β ladder)trans-80.3-46.8166-179.30000109.3V24 V30 L88 L117 V120 V121V24-V32 PolarHBondContact O-N 2.96Å; V30-V32 PolarHBondContact O-N 2.94Å; V32-L88 HydrophobicContact CG2-CD2 4.04Å; V32-L117 HydrophobicContact CG1-CB 4.4Å; V32-L117 HydrophobicContact CG1-CD1 4.36Å; V32-V120 HydrophobicContact CG1-CB 4.46Å; V32-V120 HydrophobicContact CG1-CG1 4.3Å; V32-V121 HydrophobicContact CG2-CG2 3.54Å
33I94.8Very high95.9Very high18 Ų1855.2 Ų55.29%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-143.9141.2172.1-171.2159.3000110.2L5 K6 L9 V24 L117L5-I33 HydrophobicContact CB-CD1 4.13Å; L5-I33 HydrophobicContact CD2-CD1 3.91Å; L5-I33 HydrophobicContact CG-CD1 3.81Å; K6-I33 HydrophobicContact CB-CD1 4.03Å; L9-I33 HydrophobicContact CD1-CD1 3.76Å; L9-I33 HydrophobicContact CD1-CG1 4.07Å; L9-I33 HydrophobicContact CD1-CG2 4.07Å; V24-I33 HydrophobicContact CB-CG2 3.59Å; V24-I33 HydrophobicContact CG2-CG2 3.59Å; V24-I33 PolarHBondContact N-O 3.09Å; V24-I33 PolarHBondContact O-N 2.82Å; I33-L117 HydrophobicContact CG2-CD1 3.83Å
34K96Very high95.9Very high89 Ų8955.1 Ų55.139%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-142.9127.2-179.2-177.4173.767.4-179.60110.1K6 V23 P31 L45K6-K34 WeakPolarHBondContact CE-O 3.49Å; V23-K34 HydrophobicContact CG1-CB 4.22Å; V23-K34 HydrophobicContact CG1-CD 4.33Å; V23-K34 HydrophobicContact CG1-CG 4.12Å; V23-K34 HydrophobicContact CG2-CG 4.14Å; P31-K34 HydrophobicContact CB-CB 4.39Å; K34-L45 HydrophobicContact CD-CB 4.48Å
35V97.5Very high95.9Very high5 Ų556.3 Ų56.33%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-126.7137.8166.8-65.30000108.9K6 L9 Y10 L13 A21 V22K6-V35 HydrophobicContact CB-CG1 4.47Å; K6-V35 HydrophobicContact CG-CG1 3.53Å; K6-V35 WeakPolarHBondContact O-CG1 3.47Å; L9-V35 HydrophobicContact CB-CG1 4.08Å; L9-V35 HydrophobicContact CB-CG2 3.73Å; Y10-V35 HydrophobicContact CD2-CB 4.2Å; L13-V35 HydrophobicContact CD2-CG2 4.41Å; A21-V35 CarbonylContact C-O 3.42Å; A21-V35 WeakPolarHBondContact CA-O 3.38Å; A21-V35 VanDerWaalsContact CB-O 3.32Å; A21-V35 WeakPolarHBondContact CB-O 3.33Å; V22-V35 HydrophobicContact CB-CG2 3.69Å; V22-V35 HydrophobicContact CG2-CG2 4.15Å; V22-V35 PolarHBondContact N-O 3.12Å; V22-V35 PolarHBondContact O-N 3.17Å
36A98.1Very high96Very high34 Ų3463.5 Ų63.528%0.28133%0.33SS..EExtended strand (participates in β ladder)trans-151.7144.9178.700000109H20 A21 A40 L45H20-A36 CarbonylContact O-C 3.49Å; H20-A36 VanDerWaalsContact O-CA 3.27Å; H20-A36 WeakPolarHBondContact O-CA 3.35Å; A21-A36 HydrophobicContact CB-CB 3.8Å; A36-A40 HydrophobicContact CB-CB 3.84Å; A36-L45 HydrophobicContact CB-CD1 3.95Å
37N97.5Very high96.1Very high36 Ų3664.9 Ų64.919%0.19334%0.341CS..  trans-94176.4165.762.234.2000110.6L13 L19 H20 N39 A40L13-N37 HydrophobicContact CD1-CB 4.35Å; L19-N37 PolarHBondContact O-ND2 2.87Å; H20-N37 WeakPolarHBondContact CA-OD1 3.49Å; H20-N37 PolarHBondContact O-N 3.26Å; H20-N37 PolarHBondContact O-OD1 3.45Å; N37-N39 PolarHBondContact O-N 2.74Å; N37-N39 VanDerWaalsContact O-N 3.12Å; N37-N39 WeakPolarHBondContact OD1-CB 3.5Å; N37-N39 PolarHBondContact OD1-N 3.13Å; N37-A40 WeakPolarHBondContact O-CB 3.31Å; N37-A40 PolarHBondContact O-N 3.25Å; N37-A40 VanDerWaalsContact O-N 3.09Å
38D96.8Very high96.2Very high170 Ų17061.8 Ų61.891%0.90935%0.347SS*.THydrogen-bonded Turntrans-65.7-16.3-174.2-58.2-33.8000113.9A40D38-A40 VanDerWaalsContact C-N 3.32Å
39N96.9Very high96.4Very high118 Ų11858.1 Ų58.163%0.63133%0.326SS*.THydrogen-bonded Turntrans-84.5-7178.3-60.9-43.9000112.8N37N37-N39 PolarHBondContact O-N 2.74Å; N37-N39 VanDerWaalsContact O-N 3.12Å; N37-N39 WeakPolarHBondContact OD1-CB 3.5Å; N37-N39 PolarHBondContact OD1-N 3.13Å
40A97.2Very high96.6Very high10 Ų1058.3 Ų58.38%0.08333%0.327CS..SBendtrans-70.1126.3-178.200000111.5H20 A21 A36 N37 D38 V42 L45H20-A40 HydrophobicContact CB-CB 3.92Å; A21-A40 HydrophobicContact CB-CB 4.18Å; A36-A40 HydrophobicContact CB-CB 3.84Å; N37-A40 WeakPolarHBondContact O-CB 3.31Å; N37-A40 PolarHBondContact O-N 3.25Å; N37-A40 VanDerWaalsContact O-N 3.09Å; D38-A40 VanDerWaalsContact C-N 3.32Å; A40-V42 PolarHBondContact O-N 3.33Å; A40-V42 VanDerWaalsContact O-N 3.1Å; A40-L45 HydrophobicContact CB-CD1 4.09Å
41P96.3Very high96.7Very high25 Ų2556.4 Ų56.416%0.16232%0.317CS..  trans-64115.4176.420.3-27.6000111H43 A44 Y78 I93P41-H43 VanDerWaalsContact C-N 3.25Å; P41-H43 PolarHBondContact O-N 3.48Å; P41-A44 HydrophobicContact CB-CB 4.31Å; P41-A44 HydrophobicContact CG-CB 3.93Å; P41-A44 WeakPolarHBondContact O-CB 3.47Å; P41-A44 PolarHBondContact O-N 3.46Å; P41-Y78 HydrophobicContact CG-CD1 4.25Å; P41-Y78 HydrophobicContact CG-CD2 4.17Å; P41-Y78 HydrophobicContact CG-CG 3.97Å; P41-I93 HydrophobicContact CG-CG2 3.89Å
42V95.4Very high96.8Very high101 Ų10157.3 Ų57.361%0.61232%0.321SS*.G310 helixtrans-58-35.7-172.2178.10000112.7A40 A44 L45A40-V42 PolarHBondContact O-N 3.33Å; A40-V42 VanDerWaalsContact O-N 3.1Å; V42-A44 VanDerWaalsContact C-N 3.31Å; V42-A44 PolarHBondContact O-N 2.88Å; V42-L45 PolarHBondContact O-N 2.92Å
43H96.1Very high97Very high89 Ų8955.1 Ų55.141%0.41231%0.308SS..G310 helixtrans-66.8-32.617966.3-79.8000112.6P41 L45 R46 F49 Y78P41-H43 VanDerWaalsContact C-N 3.25Å; P41-H43 PolarHBondContact O-N 3.48Å; H43-L45 PolarHBondContact O-N 2.97Å; H43-R46 WeakPolarHBondContact O-CB 3.47Å; H43-R46 PolarHBondContact O-N 3.31Å; H43-F49 WeakPolarHBondContact O-CB 3.28Å; H43-Y78 AromaticContact CE1-CE1 3.97Å; H43-Y78 AromaticContact NE2-CE1 3.62Å; H43-Y78 AromaticContact NE2-CZ 3.51Å; H43-Y78 PolarHBondContact NE2-OH 2.86Å
44A97.3Very high97Very high0 Ų055.2 Ų55.20%031%0.311CS..G310 helixtrans-72.7-14.8179.100000112.8P41 V42 F49 L50 Y78 I93P41-A44 HydrophobicContact CB-CB 4.31Å; P41-A44 HydrophobicContact CG-CB 3.93Å; P41-A44 WeakPolarHBondContact O-CB 3.47Å; P41-A44 PolarHBondContact O-N 3.46Å; V42-A44 VanDerWaalsContact C-N 3.31Å; V42-A44 PolarHBondContact O-N 2.88Å; A44-F49 HydrophobicContact CB-CD1 4.08Å; A44-F49 HydrophobicContact CB-CE1 3.95Å; A44-F49 WeakPolarHBondContact O-CD1 3.39Å; A44-L50 WeakPolarHBondContact O-CD2 3.44Å; A44-Y78 HydrophobicContact CB-CE2 4.15Å; A44-I93 HydrophobicContact CB-CD1 3.88Å; A44-I93 HydrophobicContact CB-CG2 4.48Å
45L97.6Very high97Very high25 Ų2557 Ų5713%0.13132%0.324CS..G310 helixtrans-91.1-2.3176.7-58.4176.1000113.4A21 V23 K34 A36 A40 V42 H43 I93A21-L45 HydrophobicContact CB-CD2 3.67Å; V23-L45 HydrophobicContact CG2-CD2 3.68Å; K34-L45 HydrophobicContact CD-CB 4.48Å; A36-L45 HydrophobicContact CB-CD1 3.95Å; A40-L45 HydrophobicContact CB-CD1 4.09Å; V42-L45 PolarHBondContact O-N 2.92Å; H43-L45 PolarHBondContact O-N 2.97Å; L45-I93 HydrophobicContact CD2-CD1 3.59Å; L45-I93 HydrophobicContact CG-CD1 4.47Å
46R97.4Very high97.1Very high152 Ų15258.6 Ų58.657%0.57434%0.338SS*.SBendtrans-81.9141.3-176.5-64.3-178.7-178.5-178.3-0.1110.4H43 G48 F49 L50H43-R46 WeakPolarHBondContact O-CB 3.47Å; H43-R46 PolarHBondContact O-N 3.31Å; R46-G48 VanDerWaalsContact C-N 3.27Å; R46-G48 PolarHBondContact O-N 3.39Å; R46-F49 PolarHBondContact O-N 3.16Å; R46-L50 PolarHBondContact O-N 3.49Å
47P97.3Very high97Very high62 Ų6257 Ų5740%0.40333%0.325SS..Hα-helixtrans-50.8-44.5178.3-29.835.7000113.6G29 F49 L50 S51G29-P47 WeakPolarHBondContact O-CA 3.47Å; G29-P47 WeakPolarHBondContact O-CB 3.45Å; P47-F49 PolarHBondContact O-N 3.08Å; P47-L50 PolarHBondContact O-N 3.07Å; P47-L50 VanDerWaalsContact O-N 3.1Å; P47-S51 WeakPolarHBondContact O-CB 3.46Å; P47-S51 PolarHBondContact O-N 3.21Å; P47-S51 PolarHBondContact O-OG 3.11Å
48G97.1Very high96.9Very high58 Ų5859.1 Ų59.160%0.59834%0.336SS*.Hα-helixtrans-63.4-22.8179.500000115R46 S51R46-G48 VanDerWaalsContact C-N 3.27Å; R46-G48 PolarHBondContact O-N 3.39Å; G48-S51 PolarHBondContact O-OG 3.02Å
49F97.8Very high97Very high43 Ų4356.3 Ų56.319%0.18932%0.318CS..Hα-helixtrans-80.2-47170.9-176.4-99000110.6H43 A44 R46 P47 S51 T52 Y75 Y78 I80H43-F49 WeakPolarHBondContact O-CB 3.28Å; A44-F49 HydrophobicContact CB-CD1 4.08Å; A44-F49 HydrophobicContact CB-CE1 3.95Å; A44-F49 WeakPolarHBondContact O-CD1 3.39Å; R46-F49 PolarHBondContact O-N 3.16Å; P47-F49 PolarHBondContact O-N 3.08Å; F49-S51 PolarHBondContact O-N 3.48Å; F49-T52 VanDerWaalsContact O-CB 3.23Å; F49-T52 WeakPolarHBondContact O-CB 3.33Å; F49-T52 PolarHBondContact O-N 3.39Å; F49-T52 PolarHBondContact O-OG1 2.86Å; F49-Y75 HydrophobicContact CZ-CE2 4.11Å; F49-Y75 AromaticContact CZ-CZ 3.97Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.15Å; F49-Y78 HydrophobicContact CZ-CE2 4.33Å; F49-I80 HydrophobicContact CD1-CD1 4.39Å; F49-I80 HydrophobicContact CE1-CD1 3.74Å; F49-I80 HydrophobicContact CE1-CG2 4.41Å
50L98Very high97Very high4 Ų451.6 Ų51.62%0.02130%0.297CS..Hα-helixtrans-66.3-34.7-176.1-62.8171.5000112.9V23 T25 A44 R46 P47 T52 F53 I80V23-L50 HydrophobicContact CB-CD1 4.46Å; V23-L50 HydrophobicContact CG1-CD1 3.85Å; T25-L50 HydrophobicContact CG2-CB 4.48Å; T25-L50 HydrophobicContact CG2-CD1 3.69Å; A44-L50 WeakPolarHBondContact O-CD2 3.44Å; R46-L50 PolarHBondContact O-N 3.49Å; P47-L50 PolarHBondContact O-N 3.07Å; P47-L50 VanDerWaalsContact O-N 3.1Å; L50-T52 PolarHBondContact O-N 2.77Å; L50-F53 PolarHBondContact O-N 2.88Å; L50-I80 HydrophobicContact CD2-CD1 4.15Å
51S97.1Very high97.1Very high37 Ų3753 Ų5326%0.25931%0.306SS..THydrogen-bonded Turntrans-63.3-21178.167.90000113.5P47 G48 F49 F53 A54P47-S51 WeakPolarHBondContact O-CB 3.46Å; P47-S51 PolarHBondContact O-N 3.21Å; P47-S51 PolarHBondContact O-OG 3.11Å; G48-S51 PolarHBondContact O-OG 3.02Å; F49-S51 PolarHBondContact O-N 3.48Å; S51-F53 PolarHBondContact O-N 3.31Å; S51-F53 VanDerWaalsContact O-N 3.09Å; S51-A54 WeakPolarHBondContact O-CB 3.48Å; S51-A54 PolarHBondContact O-N 2.82Å
52T97.5Very high97.2Very high80 Ų8058.4 Ų58.449%0.49133%0.327SS..Hα-helixtrans-54.1-32.6175.6-48.70000111.8F49 L50 A54 L55 A56F49-T52 VanDerWaalsContact O-CB 3.23Å; F49-T52 WeakPolarHBondContact O-CB 3.33Å; F49-T52 PolarHBondContact O-N 3.39Å; F49-T52 PolarHBondContact O-OG1 2.86Å; L50-T52 PolarHBondContact O-N 2.77Å; T52-A54 VanDerWaalsContact C-N 3.31Å; T52-A54 PolarHBondContact O-N 3.12Å; T52-L55 PolarHBondContact O-N 3.24Å; T52-A56 WeakPolarHBondContact O-CB 3.41Å; T52-A56 PolarHBondContact O-N 3.2Å; T52-A56 VanDerWaalsContact O-N 3.1Å
53F97.9Very high97.3Very high1 Ų159.8 Ų59.80%0.00433%0.331CS..Hα-helixtrans-60.3-39178.7-176.2-103.1000112.9L50 S51 L55 A56 T57 I71 Q82 N84 V89L50-F53 PolarHBondContact O-N 2.88Å; S51-F53 PolarHBondContact O-N 3.31Å; S51-F53 VanDerWaalsContact O-N 3.09Å; F53-L55 VanDerWaalsContact C-N 3.34Å; F53-L55 PolarHBondContact O-N 3.41Å; F53-A56 PolarHBondContact O-N 3.04Å; F53-A56 VanDerWaalsContact O-N 3.14Å; F53-T57 HydrophobicContact CD1-CG2 4.25Å; F53-T57 HydrophobicContact CE1-CG2 4.02Å; F53-T57 WeakPolarHBondContact O-CG2 3.48Å; F53-T57 PolarHBondContact O-N 2.85Å; F53-I71 HydrophobicContact CD2-CB 4.22Å; F53-I71 HydrophobicContact CD2-CD1 4.04Å; F53-I71 HydrophobicContact CD2-CG1 4.31Å; F53-I71 HydrophobicContact CE2-CB 3.9Å; F53-I71 HydrophobicContact CE2-CD1 3.91Å; F53-I71 HydrophobicContact CE2-CG1 3.8Å; F53-Q82 HydrophobicContact CB-CB 4.5Å; F53-Q82 HydrophobicContact CD2-CB 3.29Å; F53-Q82 HydrophobicContact CD2-CG 4.17Å; F53-Q82 HydrophobicContact CE2-CB 3.52Å; F53-Q82 HydrophobicContact CG-CB 3.9Å; F53-Q82 HydrophobicContact CZ-CB 4.29Å; F53-N84 HydrophobicContact CE1-CB 4.08Å; F53-N84 HydrophobicContact CZ-CB 3.97Å; F53-V89 HydrophobicContact CB-CG1 4.3Å; F53-V89 HydrophobicContact CD1-CB 4.25Å; F53-V89 HydrophobicContact CD1-CG1 3.41Å; F53-V89 VanDerWaalsContact CD1-CG1 3.41Å; F53-V89 HydrophobicContact CD1-CG2 3.76Å; F53-V89 HydrophobicContact CE1-CG1 3.9Å; F53-V89 HydrophobicContact CE1-CG2 4.2Å; F53-V89 HydrophobicContact CG-CG1 3.94Å
54A95.4Very high97.3Very high20 Ų2059 Ų5917%0.16535%0.346CS..Hα-helixtrans-60.1-45.3-176.400000111.3R27 S51 T52 T57 D58R27-A54 HydrophobicContact CB-CB 4.19Å; R27-A54 WeakPolarHBondContact O-CB 3.44Å; S51-A54 WeakPolarHBondContact O-CB 3.48Å; S51-A54 PolarHBondContact O-N 2.82Å; T52-A54 VanDerWaalsContact C-N 3.31Å; T52-A54 PolarHBondContact O-N 3.12Å; A54-T57 VanDerWaalsContact O-CG2 3.28Å; A54-T57 WeakPolarHBondContact O-CG2 3.29Å; A54-D58 PolarHBondContact O-N 3.12Å
55L96.1Very high97.3Very high127 Ų12766 Ų6667%0.66538%0.383SS*.Hα-helixtrans-67.2-43.4174.3-67.1174.7000111.6T52 F53 D58 Q59T52-L55 PolarHBondContact O-N 3.24Å; F53-L55 VanDerWaalsContact C-N 3.34Å; F53-L55 PolarHBondContact O-N 3.41Å; L55-D58 PolarHBondContact O-N 2.87Å; L55-Q59 WeakPolarHBondContact O-CG 3.49Å; L55-Q59 PolarHBondContact O-N 3.09Å
56A97.6Very high97.3Very high39 Ų3969.4 Ų69.432%0.32241%0.409SS..Hα-helixtrans-65-40.7-177.400000112.6T52 F53 G60 I71T52-A56 WeakPolarHBondContact O-CB 3.41Å; T52-A56 PolarHBondContact O-N 3.2Å; T52-A56 VanDerWaalsContact O-N 3.1Å; F53-A56 PolarHBondContact O-N 3.04Å; F53-A56 VanDerWaalsContact O-N 3.14Å; A56-G60 PolarHBondContact O-N 3.18Å; A56-I71 HydrophobicContact CB-CD1 3.5Å
57T97.5Very high97.3Very high1 Ų170.1 Ų70.11%0.00642%0.416CS..Hα-helixtrans-68.1-37.4177.1-174.40000111.9F53 A54 G60 S61 N68 N84F53-T57 HydrophobicContact CD1-CG2 4.25Å; F53-T57 HydrophobicContact CE1-CG2 4.02Å; F53-T57 WeakPolarHBondContact O-CG2 3.48Å; F53-T57 PolarHBondContact O-N 2.85Å; A54-T57 VanDerWaalsContact O-CG2 3.28Å; A54-T57 WeakPolarHBondContact O-CG2 3.29Å; T57-G60 PolarHBondContact O-N 3.43Å; T57-S61 WeakPolarHBondContact O-CB 3.4Å; T57-S61 PolarHBondContact O-N 3.03Å; T57-S61 PolarHBondContact O-OG 2.9Å; T57-N68 PolarHBondContact OG1-OD1 3.14Å; T57-N84 PolarHBondContact OG1-ND2 3.3Å; T57-N84 VanDerWaalsContact OG1-ND2 3.09Å
58D96Very high97.3Very high79 Ų7968.9 Ų68.942%0.42241%0.406SS..Hα-helixtrans-66.3-42.4177.8-82.80.2000111.5A54 L55 K62A54-D58 PolarHBondContact O-N 3.12Å; L55-D58 PolarHBondContact O-N 2.87Å; D58-K62 WeakPolarHBondContact O-CE 3.46Å; D58-K62 WeakPolarHBondContact O-CG 3.46Å
59Q97.9Very high97.4Very high111 Ų11173.8 Ų73.852%0.51941%0.411SS..Hα-helixtrans-73.1-40.5175.5-60.8-55.8-29.800111.8L55 S61 K62L55-Q59 WeakPolarHBondContact O-CG 3.49Å; L55-Q59 PolarHBondContact O-N 3.09Å; Q59-S61 PolarHBondContact O-N 3.38Å; Q59-K62 WeakPolarHBondContact O-CB 3.46Å; Q59-K62 PolarHBondContact O-N 3.1Å
60G97.7Very high97.4Very high20 Ų2073.3 Ų73.321%0.20641%0.413CS..Hα-helixtrans-59.2-33.9177.100000112.8A56 T57 K62 L63A56-G60 PolarHBondContact O-N 3.18Å; T57-G60 PolarHBondContact O-N 3.43Å; G60-K62 PolarHBondContact O-N 3.39Å; G60-L63 WeakPolarHBondContact O-CB 3.36Å; G60-L63 WeakPolarHBondContact O-CG 3.42Å; G60-L63 PolarHBondContact O-N 3.45Å
61S97.8Very high97.4Very high38 Ų3875 Ų7527%0.26642%0.422SS..THydrogen-bonded Turntrans-70-13.1176.5-57.60000113.8T57 Q59 S66 N68T57-S61 WeakPolarHBondContact O-CB 3.4Å; T57-S61 PolarHBondContact O-N 3.03Å; T57-S61 PolarHBondContact O-OG 2.9Å; Q59-S61 PolarHBondContact O-N 3.38Å; S61-S66 WeakPolarHBondContact CA-O 3.33Å; S61-N68 PolarHBondContact OG-N 2.94Å
62K98.1Very high97.5Very high140 Ų14076.2 Ų76.261%0.60943%0.425SS*.THydrogen-bonded Turntrans-91.51.4178.8-62.1171.3-168.9170.10113.4D58 Q59 G60 G64D58-K62 WeakPolarHBondContact O-CE 3.46Å; D58-K62 WeakPolarHBondContact O-CG 3.46Å; Q59-K62 WeakPolarHBondContact O-CB 3.46Å; Q59-K62 PolarHBondContact O-N 3.1Å; G60-K62 PolarHBondContact O-N 3.39Å; K62-G64 PolarHBondContact O-N 3.49Å
63L97.6Very high97.5Very high130 Ų13074.4 Ų74.468%0.68142%0.415SS*.SBendtrans-76.35.7179.4-63176.1000114.2G60 L65G60-L63 WeakPolarHBondContact O-CB 3.36Å; G60-L63 WeakPolarHBondContact O-CG 3.42Å; G60-L63 PolarHBondContact O-N 3.45Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.26Å
64G97.6Very high97.5Very high72 Ų7280.9 Ų80.974%0.74244%0.44SS*.SBendtrans78.68.1-17700000114.7K62K62-G64 PolarHBondContact O-N 3.49Å
65L97.4Very high97.6Very high146 Ų14684.5 Ų84.576%0.76445%0.45SS*.SBendtrans-104.225.6-176.7-57.8178.2000113.3L63L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.26Å
66S97.3Very high97.7Very high97 Ų9786.4 Ų86.468%0.67846%0.461SS*.SBendtrans63.1-163-170-164.50000112.7S61S61-S66 WeakPolarHBondContact CA-O 3.33Å
67K96.9Very high97.6Very high167 Ų16788.7 Ų88.773%0.72648%0.475SS*.SBendtrans-67.7131.3-176.7-66.4-175.4177.5-178.40111.6K69K67-K69 PolarHBondContact O-N 3.2Å
68N97.9Very high97.7Very high36 Ų3689.4 Ų89.419%0.19348%0.477CS..  trans-64.1131.1170.7176.9-92.3000110.3T57 S61 S70 N84T57-N68 PolarHBondContact OG1-OD1 3.14Å; S61-N68 PolarHBondContact OG-N 2.94Å; N68-S70 PolarHBondContact ND2-O 2.95Å; N68-S70 PolarHBondContact OD1-N 3.04Å; N68-S70 PolarHBondContact OD1-O 3.5Å; N68-N84 WeakPolarHBondContact O-CB 3.24Å; N68-N84 PolarHBondContact O-ND2 2.93Å
69K97.3Very high97.8Very high161 Ų16185.6 Ų85.670%0.746%0.457SS*.  trans-100.8-33.4-178.5-65.3-176.9-179.5178.80113K67 N84K67-K69 PolarHBondContact O-N 3.2Å; K69-N84 WeakPolarHBondContact O-CB 3.4Å; K69-N84 PolarHBondContact O-N 3.25Å
70S98.1Very high97.8Very high34 Ų3480.4 Ų80.424%0.23843%0.433CS..EExtended strand (participates in β ladder)trans-160.8161-178.855.90000110.9N68 Q82N68-S70 PolarHBondContact ND2-O 2.95Å; N68-S70 PolarHBondContact OD1-N 3.04Å; N68-S70 PolarHBondContact OD1-O 3.5Å; S70-Q82 CarbonylContact C-O 3.53Å; S70-Q82 WeakPolarHBondContact CA-O 3.34Å; S70-Q82 WeakPolarHBondContact CB-O 3.45Å
71I98.5Very high97.9Very high40 Ų4079.5 Ų79.521%0.20542%0.423CS..EExtended strand (participates in β ladder)trans-134136173-61.5176.9000107.7F53 A56 Q82F53-I71 HydrophobicContact CD2-CB 4.22Å; F53-I71 HydrophobicContact CD2-CD1 4.04Å; F53-I71 HydrophobicContact CD2-CG1 4.31Å; F53-I71 HydrophobicContact CE2-CB 3.9Å; F53-I71 HydrophobicContact CE2-CD1 3.91Å; F53-I71 HydrophobicContact CE2-CG1 3.8Å; A56-I71 HydrophobicContact CB-CD1 3.5Å; I71-Q82 PolarHBondContact N-O 3.36Å; I71-Q82 PolarHBondContact O-N 2.84Å
72I98.6Very high97.9Very high61 Ų6178.2 Ų78.231%0.31341%0.413SS..EExtended strand (participates in β ladder)trans-116.9124.4176.4-59.9161.4000107.3Y74 V81 T100 M104I72-Y74 HydrophobicContact CG2-CD2 4.1Å; I72-Y74 HydrophobicContact CG2-CE2 3.51Å; I72-V81 HydrophobicContact CG1-CB 4.49Å; I72-V81 HydrophobicContact CG1-CG1 3.87Å; I72-V81 HydrophobicContact CG1-CG2 4.18Å; I72-V81 HydrophobicContact CG2-CG2 4.27Å; I72-T100 HydrophobicContact CD1-CG2 3.89Å; I72-T100 HydrophobicContact CG1-CG2 4.35Å; I72-T100 HydrophobicContact CG2-CG2 4.02Å; I72-M104 HydrophobicContact CD1-SD 4.12Å
73C98.4Very high97.9Very high42 Ų4271.9 Ų71.928%0.28439%0.385SS..EExtended strand (participates in β ladder)trans-120.8120.6176.9-62.50000109.8Y75 Q79 I80C73-Y75 HydrophobicContact CB-CE2 3.82Å; C73-Q79 VanDerWaalsContact O-CA 3.31Å; C73-Q79 WeakPolarHBondContact O-CA 3.38Å; C73-I80 HydrophobicContact CB-CG2 3.8Å; C73-I80 PolarHBondContact N-O 3.05Å; C73-I80 PolarHBondContact O-N 3.41Å
74Y98.6Very high97.8Very high138 Ų13867 Ų6754%0.54136%0.36SS..EExtended strand (participates in β ladder)trans-95.2129173.1-64.7-84.7000110.1I72 Q79 T100I72-Y74 HydrophobicContact CG2-CD2 4.1Å; I72-Y74 HydrophobicContact CG2-CE2 3.51Å; Y74-Q79 HydrophobicContact CD1-CB 3.79Å; Y74-Q79 HydrophobicContact CE1-CB 4.11Å; Y74-T100 WeakPolarHBondContact OH-CB 3.3Å; Y74-T100 WeakPolarHBondContact OH-CG2 3.46Å; Y74-T100 PolarHBondContact OH-OG1 3.19Å
75Y97.6Very high97.6Very high96 Ų9666.6 Ų66.638%0.37634%0.336SS..  trans-114.3175.2169-60.1-94.3000108.9F49 C73 S77 Y78 I80F49-Y75 HydrophobicContact CZ-CE2 4.11Å; F49-Y75 AromaticContact CZ-CZ 3.97Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.15Å; C73-Y75 HydrophobicContact CB-CE2 3.82Å; Y75-S77 PolarHBondContact O-N 2.74Å; Y75-Y78 CarbonylContact C-O 3.45Å; Y75-Y78 WeakPolarHBondContact CA-O 3.33Å; Y75-Y78 VanDerWaalsContact CB-O 3.32Å; Y75-Y78 WeakPolarHBondContact CB-O 3.47Å; Y75-Y78 HydrophobicContact CD1-CE1 4.38Å; Y75-Y78 AromaticContact CD2-CD2 3.91Å; Y75-Y78 HydrophobicContact CD2-CD2 3.91Å; Y75-Y78 HydrophobicContact CD2-CE1 4.06Å; Y75-Y78 AromaticContact CD2-CE2 3.35Å; Y75-Y78 HydrophobicContact CD2-CE2 3.35Å; Y75-Y78 HydrophobicContact CD2-CG 4.46Å; Y75-Y78 AromaticContact CD2-CZ 3.44Å; Y75-Y78 VanDerWaalsContact CD2-CZ 3.44Å; Y75-Y78 AromaticContact CE2-CE2 3.69Å; Y75-Y78 HydrophobicContact CE2-CE2 3.69Å; Y75-Y78 AromaticContact CE2-CZ 3.85Å; Y75-Y78 HydrophobicContact CG-CD1 4.38Å; Y75-Y78 AromaticContact CG-CE1 3.8Å; Y75-Y78 HydrophobicContact CG-CE1 3.8Å; Y75-Y78 AromaticContact CG-CE2 3.99Å; Y75-Y78 HydrophobicContact CG-CE2 3.99Å; Y75-Y78 AromaticContact CG-CZ 3.58Å; Y75-Y78 PolarHBondContact N-O 3.31Å; Y75-I80 HydrophobicContact CE2-CG2 4.03Å
76N97Very high97.1Very high167 Ų16761.5 Ų61.589%0.89331%0.309SS*.SBendtrans-57.9-45.4-177.1-74.35.2000113.2S96N76-S96 PolarHBondContact O-OG 2.91Å
77S96.1Very high96.9Very high87 Ų8758 Ų5861%0.60829%0.285SS*.SBendtrans-111-10.1-173.557.10000114.7Y75 S96Y75-S77 PolarHBondContact O-N 2.74Å; S77-S96 PolarHBondContact O-N 3.47Å
78Y98.4Very high96.8Very high15 Ų1550.1 Ų50.16%0.05925%0.25CS..EExtended strand (participates in β ladder)trans-148.7162.3-17871.9-81.5000111P41 H43 A44 F49 Y75 I93 A94P41-Y78 HydrophobicContact CG-CD1 4.25Å; P41-Y78 HydrophobicContact CG-CD2 4.17Å; P41-Y78 HydrophobicContact CG-CG 3.97Å; H43-Y78 AromaticContact CE1-CE1 3.97Å; H43-Y78 AromaticContact NE2-CE1 3.62Å; H43-Y78 AromaticContact NE2-CZ 3.51Å; H43-Y78 PolarHBondContact NE2-OH 2.86Å; A44-Y78 HydrophobicContact CB-CE2 4.15Å; F49-Y78 HydrophobicContact CZ-CE2 4.33Å; Y75-Y78 CarbonylContact C-O 3.45Å; Y75-Y78 WeakPolarHBondContact CA-O 3.33Å; Y75-Y78 VanDerWaalsContact CB-O 3.32Å; Y75-Y78 WeakPolarHBondContact CB-O 3.47Å; Y75-Y78 HydrophobicContact CD1-CE1 4.38Å; Y75-Y78 AromaticContact CD2-CD2 3.91Å; Y75-Y78 HydrophobicContact CD2-CD2 3.91Å; Y75-Y78 HydrophobicContact CD2-CE1 4.06Å; Y75-Y78 AromaticContact CD2-CE2 3.35Å; Y75-Y78 HydrophobicContact CD2-CE2 3.35Å; Y75-Y78 HydrophobicContact CD2-CG 4.46Å; Y75-Y78 AromaticContact CD2-CZ 3.44Å; Y75-Y78 VanDerWaalsContact CD2-CZ 3.44Å; Y75-Y78 AromaticContact CE2-CE2 3.69Å; Y75-Y78 HydrophobicContact CE2-CE2 3.69Å; Y75-Y78 AromaticContact CE2-CZ 3.85Å; Y75-Y78 HydrophobicContact CG-CD1 4.38Å; Y75-Y78 AromaticContact CG-CE1 3.8Å; Y75-Y78 HydrophobicContact CG-CE1 3.8Å; Y75-Y78 AromaticContact CG-CE2 3.99Å; Y75-Y78 HydrophobicContact CG-CE2 3.99Å; Y75-Y78 AromaticContact CG-CZ 3.58Å; Y75-Y78 PolarHBondContact N-O 3.31Å; Y78-I93 HydrophobicContact CD2-CG2 4.29Å; Y78-A94 CarbonylContact C-O 3.56Å; Y78-A94 WeakPolarHBondContact CA-O 3.32Å; Y78-A94 VanDerWaalsContact CB-O 3.26Å; Y78-A94 WeakPolarHBondContact CB-O 3.2Å
79Q98.6Very high96.7Very high0 Ų048.5 Ų48.50%024%0.242CC..EExtended strand (participates in β ladder)trans-124.7153.6167.267.4-175.4-73.500109.1C73 Y74 A94 S95 A98 T100C73-Q79 VanDerWaalsContact O-CA 3.31Å; C73-Q79 WeakPolarHBondContact O-CA 3.38Å; Y74-Q79 HydrophobicContact CD1-CB 3.79Å; Y74-Q79 HydrophobicContact CE1-CB 4.11Å; Q79-A94 HydrophobicContact CG-CB 4.06Å; Q79-A94 PolarHBondContact N-O 3.07Å; Q79-A94 PolarHBondContact O-N 3.39Å; Q79-S95 WeakPolarHBondContact CG-O 3.44Å; Q79-S95 PolarHBondContact NE2-O 3.14Å; Q79-A98 PolarHBondContact NE2-O 2.95Å; Q79-T100 PolarHBondContact OE1-OG1 3.36Å
80I98.6Very high96.7Very high2 Ų240.9 Ų40.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-127.2131170.5-172.8175.2000109.1F49 L50 C73 Y75 Q82 L92 I93F49-I80 HydrophobicContact CD1-CD1 4.39Å; F49-I80 HydrophobicContact CE1-CD1 3.74Å; F49-I80 HydrophobicContact CE1-CG2 4.41Å; L50-I80 HydrophobicContact CD2-CD1 4.15Å; C73-I80 HydrophobicContact CB-CG2 3.8Å; C73-I80 PolarHBondContact N-O 3.05Å; C73-I80 PolarHBondContact O-N 3.41Å; Y75-I80 HydrophobicContact CE2-CG2 4.03Å; I80-Q82 HydrophobicContact CD1-CG 3.74Å; I80-Q82 HydrophobicContact CG1-CG 3.72Å; I80-L92 WeakPolarHBondContact CA-O 3.39Å; I80-I93 HydrophobicContact CB-CG1 4.36Å; I80-I93 HydrophobicContact CD1-CD1 4.43Å; I80-I93 HydrophobicContact CD1-CG1 3.91Å; I80-I93 HydrophobicContact CG1-CG1 3.86Å
81V98.6Very high96.7Very high0 Ų039.2 Ų39.20%020%0.197CC..EExtended strand (participates in β ladder)trans-113.7117.1173.2-171.70000107.8I72 F83 L92 T100 I103I72-V81 HydrophobicContact CG1-CB 4.49Å; I72-V81 HydrophobicContact CG1-CG1 3.87Å; I72-V81 HydrophobicContact CG1-CG2 4.18Å; I72-V81 HydrophobicContact CG2-CG2 4.27Å; V81-F83 HydrophobicContact CB-CE2 4Å; V81-F83 HydrophobicContact CB-CZ 4.25Å; V81-F83 HydrophobicContact CG1-CD2 4.23Å; V81-F83 HydrophobicContact CG1-CE1 4.04Å; V81-F83 HydrophobicContact CG1-CE2 3.39Å; V81-F83 HydrophobicContact CG1-CZ 3.28Å; V81-L92 PolarHBondContact N-O 3.09Å; V81-L92 PolarHBondContact O-N 3.3Å; V81-T100 HydrophobicContact CG2-CG2 3.98Å; V81-I103 HydrophobicContact CB-CG2 3.92Å; V81-I103 HydrophobicContact CG1-CG2 4.48Å; V81-I103 HydrophobicContact CG2-CB 4.47Å; V81-I103 HydrophobicContact CG2-CG2 3.74Å
82Q98.5Very high96.7Very high12 Ų1237.3 Ų37.36%0.05619%0.188CC..EExtended strand (participates in β ladder)trans-115137-178.1-56.6-172.1-81.200110.3F53 S70 I71 I80 I90 S91F53-Q82 HydrophobicContact CB-CB 4.5Å; F53-Q82 HydrophobicContact CD2-CB 3.29Å; F53-Q82 HydrophobicContact CD2-CG 4.17Å; F53-Q82 HydrophobicContact CE2-CB 3.52Å; F53-Q82 HydrophobicContact CG-CB 3.9Å; F53-Q82 HydrophobicContact CZ-CB 4.29Å; S70-Q82 CarbonylContact C-O 3.53Å; S70-Q82 WeakPolarHBondContact CA-O 3.34Å; S70-Q82 WeakPolarHBondContact CB-O 3.45Å; I71-Q82 PolarHBondContact N-O 3.36Å; I71-Q82 PolarHBondContact O-N 2.84Å; I80-Q82 HydrophobicContact CD1-CG 3.74Å; I80-Q82 HydrophobicContact CG1-CG 3.72Å; Q82-I90 CarbonylContact C-O 3.6Å; Q82-I90 VanDerWaalsContact CA-O 3.24Å; Q82-I90 WeakPolarHBondContact CA-O 3.39Å; Q82-S91 PolarHBondContact NE2-OG 3.35Å
83F97.9Very high96.7Very high6 Ų634.4 Ų34.43%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-121.4134.8-174.6-55.5-100.6000110.8V81 R85 I90 L92 M104 E107V81-F83 HydrophobicContact CB-CE2 4Å; V81-F83 HydrophobicContact CB-CZ 4.25Å; V81-F83 HydrophobicContact CG1-CD2 4.23Å; V81-F83 HydrophobicContact CG1-CE1 4.04Å; V81-F83 HydrophobicContact CG1-CE2 3.39Å; V81-F83 HydrophobicContact CG1-CZ 3.28Å; F83-R85 PolarHBondContact O-N 2.85Å; F83-I90 HydrophobicContact CB-CB 4.29Å; F83-I90 HydrophobicContact CD2-CB 4.29Å; F83-I90 HydrophobicContact CD2-CG2 4.37Å; F83-I90 PolarHBondContact N-O 3.34Å; F83-I90 PolarHBondContact O-N 3.28Å; F83-L92 HydrophobicContact CE2-CD1 3.77Å; F83-L92 HydrophobicContact CE2-CG 4.24Å; F83-L92 HydrophobicContact CZ-CD1 4.33Å; F83-M104 HydrophobicContact CZ-CG 4.45Å; F83-E107 HydrophobicContact CB-CG 4.24Å; F83-E107 HydrophobicContact CD1-CB 4.12Å; F83-E107 HydrophobicContact CD1-CG 3.64Å; F83-E107 HydrophobicContact CD2-CB 4.13Å; F83-E107 HydrophobicContact CD2-CG 3.62Å; F83-E107 HydrophobicContact CE1-CB 3.65Å; F83-E107 HydrophobicContact CE1-CG 3.74Å; F83-E107 HydrophobicContact CE2-CB 3.67Å; F83-E107 HydrophobicContact CE2-CG 3.71Å; F83-E107 HydrophobicContact CG-CB 4.33Å; F83-E107 HydrophobicContact CG-CG 3.57Å; F83-E107 HydrophobicContact CZ-CB 3.4Å; F83-E107 HydrophobicContact CZ-CG 3.76Å
84N96.2Very high96.7Very high29 Ų2932.4 Ų32.416%0.15516%0.159CC..EExtended strand (participates in β ladder)trans-79.3108.1176.3-176.4-17.1000109.7F53 T57 N68 K69 L86F53-N84 HydrophobicContact CE1-CB 4.08Å; F53-N84 HydrophobicContact CZ-CB 3.97Å; T57-N84 PolarHBondContact OG1-ND2 3.3Å; T57-N84 VanDerWaalsContact OG1-ND2 3.09Å; N68-N84 WeakPolarHBondContact O-CB 3.24Å; N68-N84 PolarHBondContact O-ND2 2.93Å; K69-N84 WeakPolarHBondContact O-CB 3.4Å; K69-N84 PolarHBondContact O-N 3.25Å; N84-L86 WeakPolarHBondContact OD1-CG 3.28Å; N84-L86 PolarHBondContact OD1-N 3.13Å
85R93.5Very high96.7Very high63 Ų6327.2 Ų27.224%0.23814%0.143CC..EExtended strand (participates in β ladder)trans-131.239.5174-63.8-68.2177.6-101.94.5110.6F83 L88 I90 E107F83-R85 PolarHBondContact O-N 2.85Å; R85-L88 CarbonylContact C-O 3.5Å; R85-L88 WeakPolarHBondContact CA-O 3.17Å; R85-L88 HydrophobicContact CB-CB 4.38Å; R85-L88 PolarHBondContact N-O 3.48Å; R85-L88 VanDerWaalsContact N-O 3.15Å; R85-L88 WeakPolarHBondContact O-CA 3.33Å; R85-L88 WeakPolarHBondContact O-CB 3.08Å; R85-L88 PolarHBondContact O-N 2.95Å; R85-L88 VanDerWaalsContact O-O 3.09Å; R85-I90 HydrophobicContact CG-CD1 3.85Å; R85-I90 HydrophobicContact CG-CG1 4.27Å; R85-E107 IonicContact CZ-OE1 3.65Å; R85-E107 IonicContact CZ-OE2 3.88Å; R85-E107 IonicContact NE-OE1 3.35Å; R85-E107 PolarHBondContact NE-OE1 3.36Å; R85-E107 IonicContact NH2-OE1 3.8Å; R85-E107 PolarHBondContact NH2-OE1 2.88Å; R85-E107 IonicContact NH2-OE2 3.29Å; R85-E107 PolarHBondContact NH2-OE2 2.67Å
86L87.1Confident96.7Very high38 Ų3824.1 Ų24.120%0.19914%0.135CC..THydrogen-bonded Turntrans-48.3133.3-169.1-74.1172.5000112.5R27 N84 L88 R118R27-L86 HydrophobicContact CG-CD2 3.55Å; N84-L86 WeakPolarHBondContact OD1-CG 3.28Å; N84-L86 PolarHBondContact OD1-N 3.13Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 VanDerWaalsContact CA-N 3.35Å; L86-L88 PolarHBondContact N-O 2.83Å; L86-L88 VanDerWaalsContact N-O 3.14Å; L86-R118 PolarHBondContact O-NH2 2.82Å
87P91.9Very high96.7Very high25 Ų2523.4 Ų23.416%0.16213%0.131CC..THydrogen-bonded Turncis-78.5-4.713.731.3-35.6000115.3V121 E122P87-V121 HydrophobicContact CB-CG1 4.16Å; P87-V121 HydrophobicContact CG-CG1 4.4Å; P87-E122 WeakPolarHBondContact CD-OE1 3.39Å; P87-E122 HydrophobicContact CG-CG 3.71Å
88L94.8Very high96.9Very high0 Ų019.7 Ų19.70%011%0.106CC..EExtended strand (participates in β ladder)trans-87.9154.9177.6-59.9177.3000113.1V24 T25 V32 R85 L86 I114 L117 R118 V121V24-L88 HydrophobicContact CG1-CB 4.28Å; V24-L88 HydrophobicContact CG1-CD1 4.18Å; V24-L88 HydrophobicContact CG1-CD2 4.14Å; V24-L88 HydrophobicContact CG1-CG 4.44Å; T25-L88 CarbonylContact O-C 3.49Å; T25-L88 WeakPolarHBondContact O-CA 3.39Å; V32-L88 HydrophobicContact CG2-CD2 4.04Å; R85-L88 CarbonylContact C-O 3.5Å; R85-L88 WeakPolarHBondContact CA-O 3.17Å; R85-L88 HydrophobicContact CB-CB 4.38Å; R85-L88 PolarHBondContact N-O 3.48Å; R85-L88 VanDerWaalsContact N-O 3.15Å; R85-L88 WeakPolarHBondContact O-CA 3.33Å; R85-L88 WeakPolarHBondContact O-CB 3.08Å; R85-L88 PolarHBondContact O-N 2.95Å; R85-L88 VanDerWaalsContact O-O 3.09Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 VanDerWaalsContact CA-N 3.35Å; L86-L88 PolarHBondContact N-O 2.83Å; L86-L88 VanDerWaalsContact N-O 3.14Å; L88-I114 HydrophobicContact CD1-CG2 3.84Å; L88-L117 HydrophobicContact CD1-CB 4.1Å; L88-R118 HydrophobicContact CD1-CG 3.81Å; L88-R118 HydrophobicContact CG-CG 4.15Å; L88-V121 HydrophobicContact CD2-CB 4.25Å; L88-V121 HydrophobicContact CD2-CG2 3.53Å
89V96.2Very high96.9Very high3 Ų323.3 Ų23.32%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-126.8125.4169.3-179.30000108V24 T25 F53V24-V89 WeakPolarHBondContact CA-O 3.33Å; T25-V89 PolarHBondContact N-O 3.1Å; T25-V89 PolarHBondContact O-N 3.18Å; F53-V89 HydrophobicContact CB-CG1 4.3Å; F53-V89 HydrophobicContact CD1-CB 4.25Å; F53-V89 HydrophobicContact CD1-CG1 3.41Å; F53-V89 VanDerWaalsContact CD1-CG1 3.41Å; F53-V89 HydrophobicContact CD1-CG2 3.76Å; F53-V89 HydrophobicContact CE1-CG1 3.9Å; F53-V89 HydrophobicContact CE1-CG2 4.2Å; F53-V89 HydrophobicContact CG-CG1 3.94Å
90I97.4Very high96.9Very high0 Ų024.3 Ų24.30%013%0.132CC..EExtended strand (participates in β ladder)trans-97.1126.6173.5-54.9172.6000107.5Q82 F83 R85 E107 I114Q82-I90 CarbonylContact C-O 3.6Å; Q82-I90 VanDerWaalsContact CA-O 3.24Å; Q82-I90 WeakPolarHBondContact CA-O 3.39Å; F83-I90 HydrophobicContact CB-CB 4.29Å; F83-I90 HydrophobicContact CD2-CB 4.29Å; F83-I90 HydrophobicContact CD2-CG2 4.37Å; F83-I90 PolarHBondContact N-O 3.34Å; F83-I90 PolarHBondContact O-N 3.28Å; R85-I90 HydrophobicContact CG-CD1 3.85Å; R85-I90 HydrophobicContact CG-CG1 4.27Å; I90-E107 HydrophobicContact CD1-CG 4.16Å; I90-I114 HydrophobicContact CD1-CB 4.27Å; I90-I114 HydrophobicContact CD1-CD1 3.52Å; I90-I114 HydrophobicContact CD1-CG1 4.49Å; I90-I114 HydrophobicContact CD1-CG2 4.03Å; I90-I114 HydrophobicContact CG1-CD1 3.92Å; I90-I114 HydrophobicContact CG1-CG2 4.11Å; I90-I114 HydrophobicContact CG2-CD1 4.3Å
91S98.4Very high96.8Very high0 Ų026.1 Ų26.10%015%0.152CC..EExtended strand (participates in β ladder)trans-122.8118.4177.5-60.60000110.2V23 Q82V23-S91 PolarHBondContact N-O 3.35Å; V23-S91 PolarHBondContact O-N 2.84Å; Q82-S91 PolarHBondContact NE2-OG 3.35Å
92L98.5Very high96.8Very high0 Ų030.4 Ų30.40%017%0.174CC..EExtended strand (participates in β ladder)trans-105.7118.5174.7-63.3174.5000108.4L19 V22 I80 V81 F83 I103 E107L19-L92 HydrophobicContact CD1-CB 4.16Å; L19-L92 HydrophobicContact CD1-CD2 4.37Å; V22-L92 HydrophobicContact CB-CD2 3.93Å; V22-L92 HydrophobicContact CG1-CD2 3.71Å; V22-L92 HydrophobicContact CG2-CD2 3.48Å; V22-L92 VanDerWaalsContact CG2-CD2 3.48Å; I80-L92 WeakPolarHBondContact CA-O 3.39Å; V81-L92 PolarHBondContact N-O 3.09Å; V81-L92 PolarHBondContact O-N 3.3Å; F83-L92 HydrophobicContact CE2-CD1 3.77Å; F83-L92 HydrophobicContact CE2-CG 4.24Å; F83-L92 HydrophobicContact CZ-CD1 4.33Å; L92-I103 HydrophobicContact CB-CG2 3.62Å; L92-I103 HydrophobicContact CD1-CG2 3.4Å; L92-I103 WeakPolarHBondContact CD1-O 3.36Å; L92-I103 HydrophobicContact CG-CG2 4.11Å; L92-E107 HydrophobicContact CD1-CB 4.19Å
93I98.7Very high96.8Very high0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-110.7125.6-178.4-60.1159.8000108H20 A21 V23 P41 A44 L45 Y78 I80H20-I93 WeakPolarHBondContact CA-O 3.21Å; H20-I93 WeakPolarHBondContact CB-O 3.42Å; H20-I93 PolarHBondContact N-O 3.28Å; A21-I93 HydrophobicContact CB-CB 4.23Å; A21-I93 HydrophobicContact CB-CD1 4.32Å; A21-I93 PolarHBondContact N-O 3.13Å; A21-I93 PolarHBondContact O-N 3.36Å; V23-I93 HydrophobicContact CG2-CD1 4.39Å; P41-I93 HydrophobicContact CG-CG2 3.89Å; A44-I93 HydrophobicContact CB-CD1 3.88Å; A44-I93 HydrophobicContact CB-CG2 4.48Å; L45-I93 HydrophobicContact CD2-CD1 3.59Å; L45-I93 HydrophobicContact CG-CD1 4.47Å; Y78-I93 HydrophobicContact CD2-CG2 4.29Å; I80-I93 HydrophobicContact CB-CG1 4.36Å; I80-I93 HydrophobicContact CD1-CD1 4.43Å; I80-I93 HydrophobicContact CD1-CG1 3.91Å; I80-I93 HydrophobicContact CG1-CG1 3.86Å
94A98.7Very high96.8Very high0 Ų032.7 Ų32.70%019%0.186CC..EExtended strand (participates in β ladder)trans-140.3168.4-175.200000111.2G18 L19 Y78 Q79 A98 I103G18-A94 CarbonylContact O-C 2.9Å; G18-A94 WeakPolarHBondContact O-CA 3.34Å; G18-A94 VanDerWaalsContact O-CB 3.29Å; G18-A94 WeakPolarHBondContact O-CB 3.27Å; L19-A94 HydrophobicContact CD1-CB 4.18Å; Y78-A94 CarbonylContact C-O 3.56Å; Y78-A94 WeakPolarHBondContact CA-O 3.32Å; Y78-A94 VanDerWaalsContact CB-O 3.26Å; Y78-A94 WeakPolarHBondContact CB-O 3.2Å; Q79-A94 HydrophobicContact CG-CB 4.06Å; Q79-A94 PolarHBondContact N-O 3.07Å; Q79-A94 PolarHBondContact O-N 3.39Å; A94-A98 HydrophobicContact CB-CB 3.64Å; A94-I103 HydrophobicContact CB-CD1 3.61Å
95S98.4Very high96.9Very high28 Ų2834 Ų3420%0.19620%0.197CC..EExtended strand (participates in β ladder)trans-55.8149.4167.2170.80000111G18 H20 Q79 N97 A98G18-S95 PolarHBondContact O-N 3.4Å; H20-S95 PolarHBondContact CD2-N 3.28Å; H20-S95 PolarHBondContact NE2-N 2.79Å; Q79-S95 WeakPolarHBondContact CG-O 3.44Å; Q79-S95 PolarHBondContact NE2-O 3.14Å; S95-N97 PolarHBondContact O-N 3.05Å; S95-N97 VanDerWaalsContact O-N 3.13Å; S95-N97 PolarHBondContact OG-N 3.37Å; S95-A98 VanDerWaalsContact O-CB 3.3Å; S95-A98 WeakPolarHBondContact O-CB 3.44Å; S95-A98 PolarHBondContact O-N 2.84Å
96S97.8Very high97Very high32 Ų3231.2 Ų31.222%0.22419%0.187CC..THydrogen-bonded Turntrans-60.3-21.9176.548.10000113.1N76 S77N76-S96 PolarHBondContact O-OG 2.91Å; S77-S96 PolarHBondContact O-N 3.47Å
97N97.4Very high97.4Very high151 Ų15129.6 Ų29.681%0.80718%0.178SC*.THydrogen-bonded Turntrans-91.7-5.8177.1-63-31000114.1S95S95-N97 PolarHBondContact O-N 3.05Å; S95-N97 VanDerWaalsContact O-N 3.13Å; S95-N97 PolarHBondContact OG-N 3.37Å
98A98.4Very high97.5Very high9 Ų935.4 Ų35.47%0.07420%0.201CC..SBendtrans-64.4147.3179.900000111.3E17 Q79 A94 S95 T100 I103E17-A98 WeakPolarHBondContact O-CB 3.48Å; Q79-A98 PolarHBondContact NE2-O 2.95Å; A94-A98 HydrophobicContact CB-CB 3.64Å; S95-A98 VanDerWaalsContact O-CB 3.3Å; S95-A98 WeakPolarHBondContact O-CB 3.44Å; S95-A98 PolarHBondContact O-N 2.84Å; A98-T100 PolarHBondContact O-N 3.33Å; A98-T100 VanDerWaalsContact O-N 3.09Å; A98-I103 HydrophobicContact CB-CD1 4.24Å
99N98.4Very high97.4Very high91 Ų9141.3 Ų41.349%0.48723%0.229SC..  trans-74.3105.1-178.4-173.3-43.7000111.3G101 L102 I103N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 2.82Å; N99-G101 WeakPolarHBondContact OD1-CA 3.47Å; N99-G101 PolarHBondContact OD1-N 3.43Å; N99-L102 HydrophobicContact CB-CB 4.28Å; N99-L102 HydrophobicContact CB-CD1 4Å; N99-L102 HydrophobicContact CB-CG 4.06Å; N99-L102 PolarHBondContact O-N 3.43Å; N99-L102 VanDerWaalsContact O-N 3.12Å; N99-L102 PolarHBondContact OD1-N 3Å; N99-L102 VanDerWaalsContact OD1-N 3.14Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 2.99Å
100T98.6Very high97.2Very high21 Ų2141.1 Ų41.113%0.12923%0.228CC..Hα-helixtrans-59.8-34.2-178.9-37.50000113.1I72 Y74 Q79 V81 A98 L102 I103 M104I72-T100 HydrophobicContact CD1-CG2 3.89Å; I72-T100 HydrophobicContact CG1-CG2 4.35Å; I72-T100 HydrophobicContact CG2-CG2 4.02Å; Y74-T100 WeakPolarHBondContact OH-CB 3.3Å; Y74-T100 WeakPolarHBondContact OH-CG2 3.46Å; Y74-T100 PolarHBondContact OH-OG1 3.19Å; Q79-T100 PolarHBondContact OE1-OG1 3.36Å; V81-T100 HydrophobicContact CG2-CG2 3.98Å; A98-T100 PolarHBondContact O-N 3.33Å; A98-T100 VanDerWaalsContact O-N 3.09Å; T100-L102 VanDerWaalsContact C-N 3.34Å; T100-L102 PolarHBondContact O-N 2.96Å; T100-I103 WeakPolarHBondContact O-CB 3.49Å; T100-I103 PolarHBondContact O-N 3.25Å; T100-M104 WeakPolarHBondContact O-CG 3.41Å; T100-M104 PolarHBondContact O-N 3.26Å
101G98.4Very high96.9Very high40 Ų4041.8 Ų41.841%0.41223%0.233SC..Hα-helixtrans-63.8-39.8177.200000112.2N99 M104 S105N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 2.82Å; N99-G101 WeakPolarHBondContact OD1-CA 3.47Å; N99-G101 PolarHBondContact OD1-N 3.43Å; G101-M104 PolarHBondContact O-N 3.09Å; G101-S105 PolarHBondContact O-N 2.98Å; G101-S105 PolarHBondContact O-OG 3.24Å
102L98.3Very high96.5Very high90 Ų9045.9 Ų45.947%0.47126%0.259SS..Hα-helixtrans-67.6-39.1174-65.3-179.1000111.8V16 N99 T100 M104 S105 L106V16-L102 HydrophobicContact CG1-CB 4.07Å; V16-L102 HydrophobicContact CG2-CB 3.93Å; N99-L102 HydrophobicContact CB-CB 4.28Å; N99-L102 HydrophobicContact CB-CD1 4Å; N99-L102 HydrophobicContact CB-CG 4.06Å; N99-L102 PolarHBondContact O-N 3.43Å; N99-L102 VanDerWaalsContact O-N 3.12Å; N99-L102 PolarHBondContact OD1-N 3Å; N99-L102 VanDerWaalsContact OD1-N 3.14Å; T100-L102 VanDerWaalsContact C-N 3.34Å; T100-L102 PolarHBondContact O-N 2.96Å; L102-M104 VanDerWaalsContact C-N 3.31Å; L102-M104 PolarHBondContact O-N 3.21Å; L102-S105 PolarHBondContact O-N 2.85Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 PolarHBondContact O-N 2.95Å
103I98.3Very high96Very high0 Ų049 Ų490%028%0.276CS..Hα-helixtrans-59.3-43.6174.1-62.3175.3000110.8V16 V81 L92 A94 A98 N99 T100 S105 L106 E107V16-I103 HydrophobicContact CG1-CG1 3.9Å; V81-I103 HydrophobicContact CB-CG2 3.92Å; V81-I103 HydrophobicContact CG1-CG2 4.48Å; V81-I103 HydrophobicContact CG2-CB 4.47Å; V81-I103 HydrophobicContact CG2-CG2 3.74Å; L92-I103 HydrophobicContact CB-CG2 3.62Å; L92-I103 HydrophobicContact CD1-CG2 3.4Å; L92-I103 WeakPolarHBondContact CD1-O 3.36Å; L92-I103 HydrophobicContact CG-CG2 4.11Å; A94-I103 HydrophobicContact CB-CD1 3.61Å; A98-I103 HydrophobicContact CB-CD1 4.24Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 2.99Å; T100-I103 WeakPolarHBondContact O-CB 3.49Å; T100-I103 PolarHBondContact O-N 3.25Å; I103-S105 VanDerWaalsContact C-N 3.35Å; I103-L106 PolarHBondContact O-N 3.13Å; I103-E107 PolarHBondContact O-N 3.02Å; I103-E107 VanDerWaalsContact O-N 3.12Å
104M97.7Very high95.4Very high67 Ų6749.1 Ų49.133%0.3328%0.276SS..Hα-helixtrans-66.3-34.3176.4-69.3-170.978.300113.1I72 F83 T100 G101 L102I72-M104 HydrophobicContact CD1-SD 4.12Å; F83-M104 HydrophobicContact CZ-CG 4.45Å; T100-M104 WeakPolarHBondContact O-CG 3.41Å; T100-M104 PolarHBondContact O-N 3.26Å; G101-M104 PolarHBondContact O-N 3.09Å; L102-M104 VanDerWaalsContact C-N 3.31Å; L102-M104 PolarHBondContact O-N 3.21Å
105S97.4Very high94.8Very high56 Ų5651.9 Ų51.939%0.39229%0.289SS..Hα-helixtrans-70.4-42.5174.7-65.50000111.6G101 L102 I103 E107 K108 E109G101-S105 PolarHBondContact O-N 2.98Å; G101-S105 PolarHBondContact O-OG 3.24Å; L102-S105 PolarHBondContact O-N 2.85Å; I103-S105 VanDerWaalsContact C-N 3.35Å; S105-E107 VanDerWaalsContact C-N 3.29Å; S105-E107 PolarHBondContact O-N 3.14Å; S105-K108 WeakPolarHBondContact O-CB 3.46Å; S105-K108 PolarHBondContact O-N 2.79Å; S105-K108 VanDerWaalsContact O-N 3.07Å; S105-E109 PolarHBondContact O-N 3.15Å
106L96.7Very high94.1Very high5 Ų555.7 Ų55.73%0.02631%0.308CS..Hα-helixtrans-58.2-41.4176.2179.362.2000111.4Q12 V16 L19 L102 I103 K108 E109 L110Q12-L106 HydrophobicContact CB-CD1 4.45Å; V16-L106 HydrophobicContact CG2-CB 4.45Å; V16-L106 HydrophobicContact CG2-CD2 4.17Å; L19-L106 HydrophobicContact CD2-CD2 3.56Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 PolarHBondContact O-N 2.95Å; I103-L106 PolarHBondContact O-N 3.13Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 PolarHBondContact O-N 2.97Å; L106-E109 WeakPolarHBondContact O-CB 3.35Å; L106-E109 PolarHBondContact O-N 2.93Å; L106-E109 VanDerWaalsContact O-N 3.09Å; L106-L110 HydrophobicContact CD1-CD1 4.24Å; L106-L110 HydrophobicContact CD1-CD2 4.46Å; L106-L110 HydrophobicContact CD1-CG 4.1Å; L106-L110 HydrophobicContact CD2-CD1 4.36Å; L106-L110 HydrophobicContact CG-CD1 3.91Å; L106-L110 HydrophobicContact CG-CG 4.17Å; L106-L110 WeakPolarHBondContact O-CG 3.34Å; L106-L110 PolarHBondContact O-N 2.93Å
107E95.4Very high93.4Very high4 Ų455.5 Ų55.52%0.01930%0.304CS..Hα-helixtrans-59.2-37.8176.7-173.5-89.116400112.9F83 R85 I90 L92 I103 S105 E109 L110 A111F83-E107 HydrophobicContact CB-CG 4.24Å; F83-E107 HydrophobicContact CD1-CB 4.12Å; F83-E107 HydrophobicContact CD1-CG 3.64Å; F83-E107 HydrophobicContact CD2-CB 4.13Å; F83-E107 HydrophobicContact CD2-CG 3.62Å; F83-E107 HydrophobicContact CE1-CB 3.65Å; F83-E107 HydrophobicContact CE1-CG 3.74Å; F83-E107 HydrophobicContact CE2-CB 3.67Å; F83-E107 HydrophobicContact CE2-CG 3.71Å; F83-E107 HydrophobicContact CG-CB 4.33Å; F83-E107 HydrophobicContact CG-CG 3.57Å; F83-E107 HydrophobicContact CZ-CB 3.4Å; F83-E107 HydrophobicContact CZ-CG 3.76Å; R85-E107 IonicContact CZ-OE1 3.65Å; R85-E107 IonicContact CZ-OE2 3.88Å; R85-E107 IonicContact NE-OE1 3.35Å; R85-E107 PolarHBondContact NE-OE1 3.36Å; R85-E107 IonicContact NH2-OE1 3.8Å; R85-E107 PolarHBondContact NH2-OE1 2.88Å; R85-E107 IonicContact NH2-OE2 3.29Å; R85-E107 PolarHBondContact NH2-OE2 2.67Å; I90-E107 HydrophobicContact CD1-CG 4.16Å; L92-E107 HydrophobicContact CD1-CB 4.19Å; I103-E107 PolarHBondContact O-N 3.02Å; I103-E107 VanDerWaalsContact O-N 3.12Å; S105-E107 VanDerWaalsContact C-N 3.29Å; S105-E107 PolarHBondContact O-N 3.14Å; E107-E109 PolarHBondContact O-N 3.15Å; E107-L110 PolarHBondContact O-N 3.33Å; E107-L110 VanDerWaalsContact O-N 3.15Å; E107-A111 WeakPolarHBondContact O-CB 3.2Å; E107-A111 PolarHBondContact O-N 2.92Å
108K94.4Very high92.8Very high147 Ų14752.2 Ų52.264%0.63928%0.28SS*.Hα-helixtrans-63.4-33.1177.8-63.7173.8-176.1172.60112.1S105 L106 P112S105-K108 WeakPolarHBondContact O-CB 3.46Å; S105-K108 PolarHBondContact O-N 2.79Å; S105-K108 VanDerWaalsContact O-N 3.07Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 PolarHBondContact O-N 2.97Å; K108-P112 WeakPolarHBondContact O-CD 3.45Å
109E93.1Very high91.9Very high123 Ų12359.7 Ų59.758%0.57531%0.314SS*.Hα-helixtrans-74.4-36.9175.2-62.5177.7-17100111.7S105 L106 E107 P112S105-E109 PolarHBondContact O-N 3.15Å; L106-E109 WeakPolarHBondContact O-CB 3.35Å; L106-E109 PolarHBondContact O-N 2.93Å; L106-E109 VanDerWaalsContact O-N 3.09Å; E107-E109 PolarHBondContact O-N 3.15Å; E109-P112 WeakPolarHBondContact O-CD 3.48Å
110L91.9Very high90.9Very high0 Ų060.4 Ų60.40%032%0.321CS..Hα-helixtrans-79-28.8-179.6-64.1-177.1000113.5Y8 L9 Q12 V22 L106 E107 L113 I114Y8-L110 HydrophobicContact CE1-CD2 3.81Å; L9-L110 HydrophobicContact CD2-CD1 4.11Å; L9-L110 HydrophobicContact CD2-CD2 3.71Å; L9-L110 HydrophobicContact CD2-CG 4.48Å; Q12-L110 HydrophobicContact CG-CD2 4.25Å; V22-L110 HydrophobicContact CG1-CD1 4.33Å; L106-L110 HydrophobicContact CD1-CD1 4.24Å; L106-L110 HydrophobicContact CD1-CD2 4.46Å; L106-L110 HydrophobicContact CD1-CG 4.1Å; L106-L110 HydrophobicContact CD2-CD1 4.36Å; L106-L110 HydrophobicContact CG-CD1 3.91Å; L106-L110 HydrophobicContact CG-CG 4.17Å; L106-L110 WeakPolarHBondContact O-CG 3.34Å; L106-L110 PolarHBondContact O-N 2.93Å; E107-L110 PolarHBondContact O-N 3.33Å; E107-L110 VanDerWaalsContact O-N 3.15Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 2.76Å; L110-L113 VanDerWaalsContact O-N 3.09Å; L110-I114 HydrophobicContact CB-CD1 3.89Å; L110-I114 WeakPolarHBondContact O-CG1 3.43Å; L110-I114 PolarHBondContact O-N 2.95Å
111A90.1Very high89.8Confident13 Ų1361.4 Ų61.411%0.10733%0.327CS..Hα-helixtrans-55.1-48-173.400000113.4E107 L113 I114 E115E107-A111 WeakPolarHBondContact O-CB 3.2Å; E107-A111 PolarHBondContact O-N 2.92Å; A111-L113 VanDerWaalsContact C-N 3.25Å; A111-L113 PolarHBondContact O-N 3.09Å; A111-I114 PolarHBondContact O-N 3.01Å; A111-I114 VanDerWaalsContact O-N 3.13Å; A111-E115 WeakPolarHBondContact O-CG 3.45Å; A111-E115 PolarHBondContact O-N 3.49Å
112P90.1Very high88.6Confident86 Ų8664.7 Ų64.756%0.55833%0.331SS*.Hα-helixtrans-60.8-33.4178.7-22.333.9000113.6K108 E109 N116K108-P112 WeakPolarHBondContact O-CD 3.45Å; E109-P112 WeakPolarHBondContact O-CD 3.48Å; P112-N116 PolarHBondContact O-ND2 3.26Å
113L88.1Confident86.6Confident67 Ų6767 Ų6735%0.35135%0.349SS..Hα-helixtrans-71.5-40.3177.4-67.4167.1000111.1Y8 L110 A111Y8-L113 HydrophobicContact CD1-CD1 4.21Å; Y8-L113 HydrophobicContact CE1-CD1 3.47Å; Y8-L113 VanDerWaalsContact CE1-CD1 3.47Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 2.76Å; L110-L113 VanDerWaalsContact O-N 3.09Å; A111-L113 VanDerWaalsContact C-N 3.25Å; A111-L113 PolarHBondContact O-N 3.09Å
114I86.4Confident84Confident1 Ų176.6 Ų76.61%0.00541%0.408CS..Hα-helixtrans-73.5-28.1-178.1-67.4167.4000111.5V24 L88 I90 L110 A111 N116 L117V24-I114 HydrophobicContact CG1-CG2 3.84Å; V24-I114 HydrophobicContact CG2-CD1 3.8Å; V24-I114 HydrophobicContact CG2-CG1 4.14Å; V24-I114 HydrophobicContact CG2-CG2 4.12Å; L88-I114 HydrophobicContact CD1-CG2 3.84Å; I90-I114 HydrophobicContact CD1-CB 4.27Å; I90-I114 HydrophobicContact CD1-CD1 3.52Å; I90-I114 HydrophobicContact CD1-CG1 4.49Å; I90-I114 HydrophobicContact CD1-CG2 4.03Å; I90-I114 HydrophobicContact CG1-CD1 3.92Å; I90-I114 HydrophobicContact CG1-CG2 4.11Å; I90-I114 HydrophobicContact CG2-CD1 4.3Å; L110-I114 HydrophobicContact CB-CD1 3.89Å; L110-I114 WeakPolarHBondContact O-CG1 3.43Å; L110-I114 PolarHBondContact O-N 2.95Å; A111-I114 PolarHBondContact O-N 3.01Å; A111-I114 VanDerWaalsContact O-N 3.13Å; I114-N116 PolarHBondContact O-N 3.45Å; I114-L117 HydrophobicContact CG2-CD1 4.49Å; I114-L117 WeakPolarHBondContact O-CA 3.48Å; I114-L117 WeakPolarHBondContact O-CB 3.4Å; I114-L117 PolarHBondContact O-N 3.35Å
115E85.1Confident83.4Confident59 Ų5977.1 Ų77.128%0.27641%0.412SS..Hα-helixtrans-63.6-26176.9-70.1-61.5-128.700113.8A111 L117 R118A111-E115 WeakPolarHBondContact O-CG 3.45Å; A111-E115 PolarHBondContact O-N 3.49Å; E115-L117 PolarHBondContact O-N 3.19Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 3.08Å; E115-R118 VanDerWaalsContact O-N 3.13Å; E115-R118 IonicContact OE1-CZ 2.67Å; E115-R118 VanDerWaalsContact OE1-CZ 3.29Å; E115-R118 IonicContact OE1-NE 3.03Å; E115-R118 IonicContact OE1-NH1 2.93Å; E115-R118 PolarHBondContact OE1-NH1 3.49Å; E115-R118 IonicContact OE1-NH2 3.97Å; E115-R118 WeakPolarHBondContact OE2-CD 3.15Å; E115-R118 WeakPolarHBondContact OE2-CG 3.42Å; E115-R118 IonicContact OE2-CZ 4Å; E115-R118 IonicContact OE2-NE 2.88Å; E115-R118 PolarHBondContact OE2-NE 3.13Å; E115-R118 IonicContact OE2-NH1 2.87Å
116N83.9Confident82.6Confident108 Ų10878.2 Ų78.258%0.57841%0.413SS*.THydrogen-bonded Turntrans-64.9-19.6171.2-61-45.1000112.6P112 I114P112-N116 PolarHBondContact O-ND2 3.26Å; I114-N116 PolarHBondContact O-N 3.45Å
117L83.8Confident81.8Confident28 Ų2882.2 Ų82.215%0.14743%0.434CS..THydrogen-bonded Turntrans-82.5-10.4176.8-56.2179.5000113.2L5 V32 I33 L88 I114 E115 Q119 V120L5-L117 HydrophobicContact CD2-CD1 3.79Å; L5-L117 HydrophobicContact CD2-CD2 3.86Å; L5-L117 HydrophobicContact CD2-CG 4.12Å; V32-L117 HydrophobicContact CG1-CB 4.4Å; V32-L117 HydrophobicContact CG1-CD1 4.36Å; I33-L117 HydrophobicContact CG2-CD1 3.83Å; L88-L117 HydrophobicContact CD1-CB 4.1Å; I114-L117 HydrophobicContact CG2-CD1 4.49Å; I114-L117 WeakPolarHBondContact O-CA 3.48Å; I114-L117 WeakPolarHBondContact O-CB 3.4Å; I114-L117 PolarHBondContact O-N 3.35Å; E115-L117 PolarHBondContact O-N 3.19Å; L117-Q119 PolarHBondContact O-N 3.46Å; L117-V120 VanDerWaalsContact O-CB 3.32Å; L117-V120 WeakPolarHBondContact O-CB 3.4Å; L117-V120 PolarHBondContact O-N 2.94Å
118R83.6Confident81Confident82 Ų8286.8 Ų86.831%0.30946%0.459SS..Hα-helixtrans-56.8-37.7179.9-82.7178.7137.6171.6-11.8112.7L86 L88 E115 V120 V121 E122L86-R118 PolarHBondContact O-NH2 2.82Å; L88-R118 HydrophobicContact CD1-CG 3.81Å; L88-R118 HydrophobicContact CG-CG 4.15Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 3.08Å; E115-R118 VanDerWaalsContact O-N 3.13Å; E115-R118 IonicContact OE1-CZ 2.67Å; E115-R118 VanDerWaalsContact OE1-CZ 3.29Å; E115-R118 IonicContact OE1-NE 3.03Å; E115-R118 IonicContact OE1-NH1 2.93Å; E115-R118 PolarHBondContact OE1-NH1 3.49Å; E115-R118 IonicContact OE1-NH2 3.97Å; E115-R118 WeakPolarHBondContact OE2-CD 3.15Å; E115-R118 WeakPolarHBondContact OE2-CG 3.42Å; E115-R118 IonicContact OE2-CZ 4Å; E115-R118 IonicContact OE2-NE 2.88Å; E115-R118 PolarHBondContact OE2-NE 3.13Å; E115-R118 IonicContact OE2-NH1 2.87Å; R118-V120 PolarHBondContact O-N 3.22Å; R118-V120 VanDerWaalsContact O-N 3.08Å; R118-V121 PolarHBondContact O-N 3.35Å; R118-E122 PolarHBondContact O-N 2.87Å
119Q80.6Confident80.2Confident166 Ų16683.1 Ų83.178%0.77645%0.447SS*.Hα-helixtrans-59.8-20.4178-64.2-177.7-13.200113.6L117 V121L117-Q119 PolarHBondContact O-N 3.46Å; Q119-V121 VanDerWaalsContact C-N 3.33Å
120V76.3Confident79.3Confident106 Ų10680.4 Ų80.464%0.64244%0.439SS*.Hα-helixtrans-76.2-26177.8-175.80000111.4V32 L117 R118V32-V120 HydrophobicContact CG1-CB 4.46Å; V32-V120 HydrophobicContact CG1-CG1 4.3Å; L117-V120 VanDerWaalsContact O-CB 3.32Å; L117-V120 WeakPolarHBondContact O-CB 3.4Å; L117-V120 PolarHBondContact O-N 2.94Å; R118-V120 PolarHBondContact O-N 3.22Å; R118-V120 VanDerWaalsContact O-N 3.08Å
121V75.4Confident78.4Confident42 Ų4286.1 Ų86.126%0.25547%0.47SS..Hα-helixtrans-104.5-28.4-177-176.10000111.6D26 V32 P87 L88 R118 Q119 V123D26-V121 HydrophobicContact CB-CG1 3.91Å; V32-V121 HydrophobicContact CG2-CG2 3.54Å; P87-V121 HydrophobicContact CB-CG1 4.16Å; P87-V121 HydrophobicContact CG-CG1 4.4Å; L88-V121 HydrophobicContact CD2-CB 4.25Å; L88-V121 HydrophobicContact CD2-CG2 3.53Å; R118-V121 PolarHBondContact O-N 3.35Å; Q119-V121 VanDerWaalsContact C-N 3.33Å; V121-V123 PolarHBondContact O-N 2.67Å
122E74Confident77.5Confident108 Ų10891.8 Ų91.851%0.50550%0.498SS..  trans-77.799.7172.5-66.6-177.116800110P87 R118P87-E122 WeakPolarHBondContact CD-OE1 3.39Å; P87-E122 HydrophobicContact CG-CG 3.71Å; R118-E122 PolarHBondContact O-N 2.87Å
123V56.6Low76.5Confident138 Ų13892.3 Ų92.384%0.83649%0.493SS*.  trans-68.1130.2163.6-170.80000107.3V121V121-V123 PolarHBondContact O-N 2.67Å
124T44.3Very low75.4Confident202 Ų20294.5 Ų94.5100%1.23951%0.506SS*.  trans-54.40173.7-42.50000111.7

Retrieved 124 of 124 residues in 283.9 ms (Link to these results)