A0A060WA49_ONCMY Loading...

AP complex subunit sigma

AlphaFold DB , UniProt , Accession A0A060WA49, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 157 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
1M94.3Very high96.8Very high22 Ų2242.5 Ų42.511%0.10819%0.194CC..  0142.40-174.7-172.7-58.500112.5M4 Y19 C68 A69 V70 T79 V82 L117 G120 E121M1-M4 HydrophobicContact SD-CB 4.16Å; M1-Y19 HydrophobicContact CG-CD2 4.4Å; M1-Y19 HydrophobicContact CG-CE2 4.48Å; M1-Y19 HydrophobicContact SD-CD2 4.37Å; M1-Y19 HydrophobicContact SD-CE2 3.88Å; M1-C68 HydrophobicContact CE-CB 4.01Å; M1-C68 HydrophobicContact CG-CB 4.37Å; M1-C68 HydrophobicContact SD-CB 3.92Å; M1-A69 WeakPolarHBondContact CG-O 3.39Å; M1-V70 HydrophobicContact CB-CG1 4.22Å; M1-V70 HydrophobicContact CG-CG1 4.02Å; M1-T79 HydrophobicContact CE-CG2 4.34Å; M1-V82 HydrophobicContact CE-CG1 4.13Å; M1-L117 HydrophobicContact CE-CD1 4.25Å; M1-G120 WeakPolarHBondContact CB-O 3.4Å; M1-G120 PolarHBondContact N-O 3.04Å; M1-E121 PolarHBondContact N-OE1 3.37Å
2R96.6Very high96.8Very high97 Ų9748.2 Ų48.237%0.36622%0.218SC..  trans-90.3-45.1179.3-65.7-152.1176.3178.43.2115.1Y19 T20 L54 A69 E71R2-Y19 PolarHBondContact O-N 2.88Å; R2-T20 HydrophobicContact CB-CG2 4.37Å; R2-T20 HydrophobicContact CG-CG2 4.15Å; R2-L54 HydrophobicContact CG-CD2 4.32Å; R2-A69 PolarHBondContact N-O 3.43Å; R2-E71 IonicContact CZ-OE1 3.93Å; R2-E71 IonicContact NE-OE1 3.69Å; R2-E71 PolarHBondContact NE-OE1 2.78Å; R2-E71 IonicContact NH2-OE1 2.63Å; R2-E71 PolarHBondContact NH2-OE1 2.9Å
3F97.9Very high96.9Very high2 Ų249.2 Ų49.21%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-158.9157.4176.559.1-96.1000111.5L5 K17 W18 M30 L34 W51 L54 C68 A69F3-L5 HydrophobicContact CD2-CD1 4.23Å; F3-L5 HydrophobicContact CD2-CD2 4.11Å; F3-L5 HydrophobicContact CD2-CG 3.84Å; F3-L5 HydrophobicContact CE2-CD1 3.97Å; F3-L5 HydrophobicContact CE2-CG 4.07Å; F3-K17 CarbonylContact C-O 3.52Å; F3-K17 WeakPolarHBondContact CA-O 3.44Å; F3-K17 WeakPolarHBondContact CB-O 3.37Å; F3-W18 HydrophobicContact CB-CD2 3.93Å; F3-W18 HydrophobicContact CB-CE3 3.65Å; F3-W18 HydrophobicContact CB-CG 4.42Å; F3-W18 HydrophobicContact CB-CZ3 4.02Å; F3-W18 AromaticContact CD1-CE3 3.77Å; F3-W18 HydrophobicContact CD1-CE3 3.77Å; F3-W18 HydrophobicContact CD1-CH2 4.02Å; F3-W18 AromaticContact CD1-CZ3 3.34Å; F3-W18 HydrophobicContact CD1-CZ3 3.34Å; F3-W18 HydrophobicContact CD2-CH2 4.46Å; F3-W18 HydrophobicContact CD2-CZ3 4.45Å; F3-W18 HydrophobicContact CE1-CH2 4.28Å; F3-W18 AromaticContact CE1-CZ3 3.86Å; F3-W18 HydrophobicContact CE1-CZ3 3.86Å; F3-W18 HydrophobicContact CG-CD2 4.44Å; F3-W18 AromaticContact CG-CE3 3.87Å; F3-W18 HydrophobicContact CG-CE3 3.87Å; F3-W18 HydrophobicContact CG-CH2 4.12Å; F3-W18 AromaticContact CG-CZ3 3.69Å; F3-W18 HydrophobicContact CG-CZ3 3.69Å; F3-M30 HydrophobicContact CD1-CE 4.44Å; F3-M30 HydrophobicContact CE1-CE 3.51Å; F3-M30 HydrophobicContact CZ-CE 4.05Å; F3-L34 HydrophobicContact CE2-CD2 3.66Å; F3-L34 HydrophobicContact CZ-CD2 3.96Å; F3-W51 HydrophobicContact CZ-CZ3 4.11Å; F3-L54 HydrophobicContact CE1-CD1 4.41Å; F3-C68 WeakPolarHBondContact O-CA 3.47Å; F3-A69 HydrophobicContact CD1-CB 3.84Å; F3-A69 HydrophobicContact CD2-CB 4Å; F3-A69 HydrophobicContact CE1-CB 3.4Å; F3-A69 VanDerWaalsContact CE1-CB 3.4Å; F3-A69 HydrophobicContact CE2-CB 3.6Å; F3-A69 HydrophobicContact CG-CB 4.13Å; F3-A69 HydrophobicContact CZ-CB 3.28Å; F3-A69 PolarHBondContact O-N 3.03Å
4M98.3Very high96.9Very high0 Ų049.9 Ų49.90%023%0.226CC..EExtended strand (participates in β ladder)trans-125.7131.6174.9-177.8171.1-170.900109.7M1 L6 Q16 K17 F66 C67 I83 F86 L113 L117M1-M4 HydrophobicContact SD-CB 4.16Å; M4-L6 HydrophobicContact CE-CD1 3.92Å; M4-L6 HydrophobicContact CG-CD1 4.13Å; M4-Q16 WeakPolarHBondContact O-CA 3.41Å; M4-K17 PolarHBondContact N-O 3.47Å; M4-K17 PolarHBondContact O-N 2.87Å; M4-F66 HydrophobicContact CE-CD1 3.84Å; M4-C67 CarbonylContact C-O 3.58Å; M4-C67 WeakPolarHBondContact CA-O 3.4Å; M4-I83 HydrophobicContact CE-CG1 4.46Å; M4-F86 HydrophobicContact CE-CD1 3.47Å; M4-F86 VanDerWaalsContact CE-CD1 3.47Å; M4-F86 HydrophobicContact CE-CE1 4Å; M4-F86 HydrophobicContact CE-CG 4.28Å; M4-F86 HydrophobicContact SD-CD1 4.42Å; M4-L113 HydrophobicContact SD-CD1 3.79Å; M4-L113 HydrophobicContact SD-CD2 4.43Å; M4-L117 HydrophobicContact SD-CD1 4.48Å
5L98.3Very high97Very high0 Ų046.7 Ų46.70%021%0.211CC..EExtended strand (participates in β ladder)trans-121.3137.5178.3-52.3179.5000110.2F3 F7 L13 L15 Q16 V31 L34 C67F3-L5 HydrophobicContact CD2-CD1 4.23Å; F3-L5 HydrophobicContact CD2-CD2 4.11Å; F3-L5 HydrophobicContact CD2-CG 3.84Å; F3-L5 HydrophobicContact CE2-CD1 3.97Å; F3-L5 HydrophobicContact CE2-CG 4.07Å; L5-F7 HydrophobicContact CB-CD1 4.07Å; L5-F7 HydrophobicContact CB-CE1 4.26Å; L5-L13 HydrophobicContact CB-CD1 4.43Å; L5-L13 HydrophobicContact CD2-CD1 4.43Å; L5-L15 WeakPolarHBondContact CA-O 3.47Å; L5-Q16 HydrophobicContact CD2-CB 3.63Å; L5-V31 HydrophobicContact CD1-CG2 4.02Å; L5-V31 HydrophobicContact CD2-CG2 3.91Å; L5-L34 HydrophobicContact CD1-CD2 4.11Å; L5-C67 HydrophobicContact CB-CB 4.39Å; L5-C67 PolarHBondContact N-O 2.68Å; L5-C67 PolarHBondContact O-N 3.5Å
6L98.3Very high97.1Very high0 Ų047.3 Ų47.30%022%0.215CC..EExtended strand (participates in β ladder)trans-115.1128.9163.5-75.457.1000108.6M4 R14 L15 Y65 F66 F86M4-L6 HydrophobicContact CE-CD1 3.92Å; M4-L6 HydrophobicContact CG-CD1 4.13Å; L6-R14 HydrophobicContact CB-CB 4.22Å; L6-R14 PolarHBondContact O-N 2.74Å; L6-L15 HydrophobicContact CB-CB 3.9Å; L6-L15 HydrophobicContact CD1-CB 4.17Å; L6-L15 HydrophobicContact CD1-CD2 4.13Å; L6-L15 HydrophobicContact CD2-CB 4.06Å; L6-L15 HydrophobicContact CG-CB 4.26Å; L6-L15 PolarHBondContact N-O 2.91Å; L6-L15 PolarHBondContact O-N 2.76Å; L6-Y65 VanDerWaalsContact CA-O 3.28Å; L6-Y65 WeakPolarHBondContact CA-O 3.28Å; L6-F66 HydrophobicContact CD1-CD1 3.74Å; L6-F66 HydrophobicContact CD1-CE1 4.04Å; L6-F66 HydrophobicContact CD1-CG 4.47Å; L6-F66 HydrophobicContact CD2-CD1 4.05Å; L6-F66 HydrophobicContact CD2-CE1 3.49Å; L6-F66 VanDerWaalsContact CD2-CE1 3.49Å; L6-F66 HydrophobicContact CD2-CZ 3.87Å; L6-F66 HydrophobicContact CG-CD1 3.65Å; L6-F66 HydrophobicContact CG-CE1 3.64Å; L6-F66 HydrophobicContact CG-CG 4.19Å; L6-F66 HydrophobicContact CG-CZ 4.14Å; L6-F86 HydrophobicContact CD1-CE1 4.33Å; L6-F86 HydrophobicContact CD2-CE1 4.19Å
7F98.4Very high97.1Very high0 Ų047.4 Ų47.40%021%0.214CC..EExtended strand (participates in β ladder)trans-146.5151176.152.3-89.3000111.9L5 K12 L13 M35 V38 L39 Y65 C67L5-F7 HydrophobicContact CB-CD1 4.07Å; L5-F7 HydrophobicContact CB-CE1 4.26Å; F7-K12 CarbonylContact C-O 3.55Å; F7-K12 WeakPolarHBondContact CA-O 3.24Å; F7-K12 WeakPolarHBondContact CB-O 3.42Å; F7-L13 HydrophobicContact CB-CD1 4.43Å; F7-M35 HydrophobicContact CB-CE 3.53Å; F7-M35 HydrophobicContact CB-CG 4.33Å; F7-M35 HydrophobicContact CB-SD 3.99Å; F7-M35 HydrophobicContact CD1-CG 3.63Å; F7-M35 HydrophobicContact CD1-SD 4.22Å; F7-M35 HydrophobicContact CD2-CB 4.48Å; F7-M35 HydrophobicContact CD2-CE 4.03Å; F7-M35 HydrophobicContact CD2-CG 3.94Å; F7-M35 HydrophobicContact CE1-CG 3.81Å; F7-M35 HydrophobicContact CE2-CB 4.41Å; F7-M35 HydrophobicContact CE2-CG 4.1Å; F7-M35 HydrophobicContact CG-CE 3.81Å; F7-M35 HydrophobicContact CG-CG 3.7Å; F7-M35 HydrophobicContact CG-SD 4.03Å; F7-M35 HydrophobicContact CZ-CG 4.04Å; F7-V38 HydrophobicContact CE2-CB 4.37Å; F7-V38 HydrophobicContact CE2-CG1 4.15Å; F7-V38 HydrophobicContact CZ-CB 3.91Å; F7-V38 HydrophobicContact CZ-CG1 3.82Å; F7-V38 HydrophobicContact CZ-CG2 4.38Å; F7-L39 HydrophobicContact CD2-CD2 4.38Å; F7-L39 HydrophobicContact CD2-CG 4.45Å; F7-L39 HydrophobicContact CE2-CD2 4.12Å; F7-L39 HydrophobicContact CE2-CG 4.05Å; F7-Y65 HydrophobicContact CD2-CD2 4.32Å; F7-Y65 HydrophobicContact CD2-CG 4.27Å; F7-Y65 VanDerWaalsContact CE2-CB 3.43Å; F7-Y65 HydrophobicContact CE2-CD1 4.43Å; F7-Y65 HydrophobicContact CE2-CD2 4.14Å; F7-Y65 AromaticContact CE2-CG 3.77Å; F7-Y65 HydrophobicContact CE2-CG 3.77Å; F7-Y65 HydrophobicContact CZ-CG 4.33Å; F7-Y65 PolarHBondContact N-O 3.5Å; F7-Y65 PolarHBondContact O-N 2.95Å; F7-C67 HydrophobicContact CE1-CB 3.77Å; F7-C67 HydrophobicContact CZ-CB 4.33Å
8S97.5Very high97.1Very high2 Ų246.7 Ų46.71%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-75.9163.9179.581.20000111.9Q10 G11 K12 S63 E99S8-Q10 PolarHBondContact O-N 3.05Å; S8-Q10 VanDerWaalsContact O-N 3.1Å; S8-Q10 PolarHBondContact OG-N 3.45Å; S8-G11 PolarHBondContact O-N 3.47Å; S8-K12 PolarHBondContact N-O 2.91Å; S8-K12 PolarHBondContact OG-N 3.13Å; S8-S63 CarbonylContact C-O 3.6Å; S8-E99 WeakPolarHBondContact CB-OE1 3.24Å
9R95.3Very high97.1Very high162 Ų16246.3 Ų46.361%0.61121%0.207SC*.THydrogen-bonded Turntrans-55.3-24.3169.5-176.9175.5176170.6-0.7113.5G11 S63 Y65R9-G11 VanDerWaalsContact C-N 3.25Å; R9-G11 PolarHBondContact O-N 3.3Å; R9-S63 PolarHBondContact N-O 3.26Å; R9-Y65 HydrophobicContact CB-CE2 4.23Å
10Q94.8Very high97Very high152 Ų15246.7 Ų46.771%0.7121%0.213SC*.THydrogen-bonded Turntrans-841.7176.8-61.6174.85.900112.8S8S8-Q10 PolarHBondContact O-N 3.05Å; S8-Q10 VanDerWaalsContact O-N 3.1Å; S8-Q10 PolarHBondContact OG-N 3.45Å
11G94.8Very high96.9Very high31 Ų3149.7 Ų49.732%0.3225%0.246SC..SBendtrans74.927.9-176.900000113.6S8 R9 M35S8-G11 PolarHBondContact O-N 3.47Å; R9-G11 VanDerWaalsContact C-N 3.25Å; R9-G11 PolarHBondContact O-N 3.3Å; G11-M35 VanDerWaalsContact CA-CE 3.42Å; G11-M35 WeakPolarHBondContact O-CE 3.22Å
12K97Very high96.9Very high110 Ų11050.7 Ų50.748%0.47825%0.254SS..  trans-94.8122.5171.3-61.8-174179.6178.70109.6F7 S8F7-K12 CarbonylContact C-O 3.55Å; F7-K12 WeakPolarHBondContact CA-O 3.24Å; F7-K12 WeakPolarHBondContact CB-O 3.42Å; S8-K12 PolarHBondContact N-O 2.91Å; S8-K12 PolarHBondContact OG-N 3.13Å
13L97.9Very high96.9Very high61 Ų6148.7 Ų48.732%0.31926%0.258SS..EExtended strand (participates in β ladder)trans-69.1135.7175.5-167.970.6000110L5 F7 Q16 V31 M35L5-L13 HydrophobicContact CB-CD1 4.43Å; L5-L13 HydrophobicContact CD2-CD1 4.43Å; F7-L13 HydrophobicContact CB-CD1 4.43Å; L13-Q16 HydrophobicContact CD1-CB 4.48Å; L13-Q16 HydrophobicContact CD2-CB 4.03Å; L13-Q16 HydrophobicContact CD2-CG 3.74Å; L13-V31 HydrophobicContact CD1-CG1 4Å; L13-V31 HydrophobicContact CD2-CG1 4.17Å; L13-M35 HydrophobicContact CD1-SD 4.21Å
14R97.7Very high96.8Very high59 Ų5953 Ų5322%0.22328%0.278CS..EExtended strand (participates in β ladder)trans-113.9-38.7178.8-56.6-52.5-177.6-172.26.4111.9L6 L64 E99 I102L6-R14 HydrophobicContact CB-CB 4.22Å; L6-R14 PolarHBondContact O-N 2.74Å; R14-L64 HydrophobicContact CG-CD2 3.86Å; R14-E99 IonicContact CZ-OE1 2.69Å; R14-E99 VanDerWaalsContact CZ-OE1 3.24Å; R14-E99 IonicContact NE-OE1 3.15Å; R14-E99 PolarHBondContact NE-OE1 3.29Å; R14-E99 IonicContact NH2-OE1 2.74Å; R14-E99 PolarHBondContact NH2-OE1 3.31Å; R14-I102 HydrophobicContact CB-CG2 4.2Å
15L98Very high96.6Very high2 Ų263.1 Ų63.11%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-145.4141.5177.8-170.3150000109.2L5 L6 K17 A109 Y110 L113L5-L15 WeakPolarHBondContact CA-O 3.47Å; L6-L15 HydrophobicContact CB-CB 3.9Å; L6-L15 HydrophobicContact CD1-CB 4.17Å; L6-L15 HydrophobicContact CD1-CD2 4.13Å; L6-L15 HydrophobicContact CD2-CB 4.06Å; L6-L15 HydrophobicContact CG-CB 4.26Å; L6-L15 PolarHBondContact N-O 2.91Å; L6-L15 PolarHBondContact O-N 2.76Å; L15-K17 HydrophobicContact CD2-CB 4.19Å; L15-A109 HydrophobicContact CD1-CB 4.09Å; L15-Y110 HydrophobicContact CD1-CD1 4.25Å; L15-Y110 HydrophobicContact CD1-CD2 4.33Å; L15-Y110 HydrophobicContact CD1-CE1 4.27Å; L15-Y110 HydrophobicContact CD1-CE2 4.33Å; L15-Y110 HydrophobicContact CD1-CG 4.28Å; L15-Y110 HydrophobicContact CD2-CE1 4.01Å; L15-Y110 HydrophobicContact CG-CD1 4.21Å; L15-Y110 HydrophobicContact CG-CE1 3.73Å; L15-Y110 HydrophobicContact CG-CE2 4.03Å; L15-L113 HydrophobicContact CD1-CD2 4.33Å; L15-L113 HydrophobicContact CD2-CD2 3.66Å
16Q97.8Very high96.5Very high57 Ų5766.9 Ų66.927%0.26634%0.336SS..EExtended strand (participates in β ladder)trans-139.7111.7167.750.5165.1-0.200110.4M4 L5 L13 W18 Y110M4-Q16 WeakPolarHBondContact O-CA 3.41Å; L5-Q16 HydrophobicContact CD2-CB 3.63Å; L13-Q16 HydrophobicContact CD1-CB 4.48Å; L13-Q16 HydrophobicContact CD2-CB 4.03Å; L13-Q16 HydrophobicContact CD2-CG 3.74Å; Q16-W18 VanDerWaalsContact OE1-NE1 3.07Å; Q16-Y110 PolarHBondContact N-OH 2.89Å; Q16-Y110 PolarHBondContact O-OH 3.26Å
17K97.8Very high96.4Very high48 Ų4868.8 Ų68.821%0.20934%0.344CS..EExtended strand (participates in β ladder)trans-107.8125.2173.4-169.673.9178.4-165.70109.2F3 M4 L15 Y19 Y110 L113 D114F3-K17 CarbonylContact C-O 3.52Å; F3-K17 WeakPolarHBondContact CA-O 3.44Å; F3-K17 WeakPolarHBondContact CB-O 3.37Å; M4-K17 PolarHBondContact N-O 3.47Å; M4-K17 PolarHBondContact O-N 2.87Å; L15-K17 HydrophobicContact CD2-CB 4.19Å; K17-Y19 HydrophobicContact CB-CE2 4.49Å; K17-Y19 HydrophobicContact CD-CE1 4.48Å; K17-Y19 HydrophobicContact CG-CD1 4.27Å; K17-Y19 HydrophobicContact CG-CE1 3.64Å; K17-Y19 HydrophobicContact CG-CE2 4.06Å; K17-Y110 HydrophobicContact CD-CD1 4.3Å; K17-Y110 HydrophobicContact CD-CE1 4.42Å; K17-L113 HydrophobicContact CB-CD2 3.67Å; K17-L113 HydrophobicContact CD-CD2 4.49Å; K17-L113 HydrophobicContact CG-CD2 3.99Å; K17-D114 WeakPolarHBondContact CE-OD1 3.35Å; K17-D114 IonicContact NZ-OD1 2.78Å; K17-D114 PolarHBondContact NZ-OD1 3.3Å; K17-D114 IonicContact NZ-OD2 3.73Å; K17-D114 PolarHBondContact NZ-OD2 2.89Å
18W98Very high96.3Very high35 Ų3574.6 Ų74.613%0.13337%0.37CS..EExtended strand (participates in β ladder)trans-112.3118.8178.7-64.486.2000108.6F3 Q16 T22 K27 M30 V31F3-W18 HydrophobicContact CB-CD2 3.93Å; F3-W18 HydrophobicContact CB-CE3 3.65Å; F3-W18 HydrophobicContact CB-CG 4.42Å; F3-W18 HydrophobicContact CB-CZ3 4.02Å; F3-W18 AromaticContact CD1-CE3 3.77Å; F3-W18 HydrophobicContact CD1-CE3 3.77Å; F3-W18 HydrophobicContact CD1-CH2 4.02Å; F3-W18 AromaticContact CD1-CZ3 3.34Å; F3-W18 HydrophobicContact CD1-CZ3 3.34Å; F3-W18 HydrophobicContact CD2-CH2 4.46Å; F3-W18 HydrophobicContact CD2-CZ3 4.45Å; F3-W18 HydrophobicContact CE1-CH2 4.28Å; F3-W18 AromaticContact CE1-CZ3 3.86Å; F3-W18 HydrophobicContact CE1-CZ3 3.86Å; F3-W18 HydrophobicContact CG-CD2 4.44Å; F3-W18 AromaticContact CG-CE3 3.87Å; F3-W18 HydrophobicContact CG-CE3 3.87Å; F3-W18 HydrophobicContact CG-CH2 4.12Å; F3-W18 AromaticContact CG-CZ3 3.69Å; F3-W18 HydrophobicContact CG-CZ3 3.69Å; Q16-W18 VanDerWaalsContact OE1-NE1 3.07Å; W18-T22 HydrophobicContact CZ3-CG2 4.49Å; W18-K27 HydrophobicContact CD2-CD 3.85Å; W18-K27 HydrophobicContact CD2-CG 3.76Å; W18-K27 HydrophobicContact CE3-CG 4.03Å; W18-K27 HydrophobicContact CG-CD 3.95Å; W18-K27 VanDerWaalsContact CG-CE 3.48Å; W18-K27 HydrophobicContact CG-CG 4.39Å; W18-K27 HydrophobicContact CH2-CB 4.01Å; W18-K27 HydrophobicContact CH2-CG 3.92Å; W18-K27 HydrophobicContact CZ2-CB 3.5Å; W18-K27 HydrophobicContact CZ2-CD 4.28Å; W18-K27 HydrophobicContact CZ2-CG 3.6Å; W18-K27 HydrophobicContact CZ3-CG 4.11Å; W18-M30 HydrophobicContact CH2-CB 4.06Å; W18-M30 HydrophobicContact CH2-SD 4.19Å; W18-M30 HydrophobicContact CZ3-CE 4.31Å; W18-M30 HydrophobicContact CZ3-SD 4.16Å; W18-V31 HydrophobicContact CZ2-CG2 3.81Å
19Y97.1Very high96.3Very high39 Ų3980 Ų8015%0.15339%0.393CS..  trans-94.4-15.1180-60.3-69.4000112.4M1 R2 K17 L117 G120M1-Y19 HydrophobicContact CG-CD2 4.4Å; M1-Y19 HydrophobicContact CG-CE2 4.48Å; M1-Y19 HydrophobicContact SD-CD2 4.37Å; M1-Y19 HydrophobicContact SD-CE2 3.88Å; R2-Y19 PolarHBondContact O-N 2.88Å; K17-Y19 HydrophobicContact CB-CE2 4.49Å; K17-Y19 HydrophobicContact CD-CE1 4.48Å; K17-Y19 HydrophobicContact CG-CD1 4.27Å; K17-Y19 HydrophobicContact CG-CE1 3.64Å; K17-Y19 HydrophobicContact CG-CE2 4.06Å; Y19-L117 WeakPolarHBondContact OH-CB 3.34Å; Y19-L117 WeakPolarHBondContact OH-CD1 3.42Å; Y19-G120 VanDerWaalsContact CG-N 3.31Å
20T94.9Very high96.3Very high54 Ų5473.3 Ų73.333%0.33137%0.369SS..SBendtrans-109143.2172.857.10000111.3R2 T22R2-T20 HydrophobicContact CB-CG2 4.37Å; R2-T20 HydrophobicContact CG-CG2 4.15Å; T20-T22 PolarHBondContact O-N 3Å; T20-T22 PolarHBondContact O-OG1 2.81Å
21A94.8Very high96.5Very high110 Ų11066.6 Ų66.691%0.90934%0.339SS*.  trans-60.6123.6172.100000110
22T93.9Very high96.6Very high43 Ų4373.2 Ų73.226%0.26435%0.354SS..  trans-148.5138.4-177.7-55.30000108.7W18 T20 D26 K27 M30W18-T22 HydrophobicContact CZ3-CG2 4.49Å; T20-T22 PolarHBondContact O-N 3Å; T20-T22 PolarHBondContact O-OG1 2.81Å; T22-D26 HydrophobicContact CG2-CB 3.96Å; T22-K27 HydrophobicContact CG2-CG 3.92Å; T22-K27 WeakPolarHBondContact O-CE 3.47Å; T22-M30 HydrophobicContact CG2-SD 4.45Å
23A96.1Very high96.5Very high55 Ų5570.8 Ų70.846%0.45534%0.344SS..  trans-64.6142.4179.900000111.2R25 D26 K27A23-R25 PolarHBondContact O-N 3.23Å; A23-D26 PolarHBondContact O-N 2.93Å; A23-K27 PolarHBondContact O-N 3Å
24E95.2Very high96.5Very high92 Ų9267.9 Ų67.943%0.4333%0.329SS..Hα-helixtrans-59.4-33.8-175.8-171.456.5-15200113D26 K27 K28E24-D26 VanDerWaalsContact C-N 3.33Å; E24-D26 PolarHBondContact O-N 3.24Å; E24-K27 PolarHBondContact O-N 3.15Å; E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 3.38Å; E24-K28 VanDerWaalsContact O-N 3.09Å; E24-K28 VanDerWaalsContact OE1-CE 3.29Å; E24-K28 WeakPolarHBondContact OE1-CE 3.44Å
25R95.6Very high96.5Very high214 Ų21465.8 Ų65.881%0.80832%0.322SS*.Hα-helixtrans-59.7-43.9173.2-179.1-178.4176-172.6-1.1111.7A23 K29A23-R25 PolarHBondContact O-N 3.23Å; R25-K29 PolarHBondContact O-N 3.47Å
26D95.5Very high96.5Very high78 Ų7872.6 Ų72.642%0.41735%0.354SS..Hα-helixtrans-73.7-40.7-178.1-64-36.6000110.8T22 A23 E24 K28 K29 M30T22-D26 HydrophobicContact CG2-CB 3.96Å; A23-D26 PolarHBondContact O-N 2.93Å; E24-D26 VanDerWaalsContact C-N 3.33Å; E24-D26 PolarHBondContact O-N 3.24Å; D26-K28 VanDerWaalsContact C-N 3.35Å; D26-K28 PolarHBondContact O-N 2.94Å; D26-K29 WeakPolarHBondContact O-CB 3.24Å; D26-K29 PolarHBondContact O-N 3.08Å; D26-M30 WeakPolarHBondContact O-CB 3.25Å; D26-M30 VanDerWaalsContact O-CG 3.22Å; D26-M30 WeakPolarHBondContact O-CG 3.3Å; D26-M30 PolarHBondContact O-N 3.43Å
27K96.8Very high96.4Very high40 Ų4072.5 Ų72.517%0.17436%0.357CS..Hα-helixtrans-51.8-52.1172.1-67.5-178.7172.9173.40111.6W18 T22 A23 E24 K29 M30 V31W18-K27 HydrophobicContact CD2-CD 3.85Å; W18-K27 HydrophobicContact CD2-CG 3.76Å; W18-K27 HydrophobicContact CE3-CG 4.03Å; W18-K27 HydrophobicContact CG-CD 3.95Å; W18-K27 VanDerWaalsContact CG-CE 3.48Å; W18-K27 HydrophobicContact CG-CG 4.39Å; W18-K27 HydrophobicContact CH2-CB 4.01Å; W18-K27 HydrophobicContact CH2-CG 3.92Å; W18-K27 HydrophobicContact CZ2-CB 3.5Å; W18-K27 HydrophobicContact CZ2-CD 4.28Å; W18-K27 HydrophobicContact CZ2-CG 3.6Å; W18-K27 HydrophobicContact CZ3-CG 4.11Å; T22-K27 HydrophobicContact CG2-CG 3.92Å; T22-K27 WeakPolarHBondContact O-CE 3.47Å; A23-K27 PolarHBondContact O-N 3Å; E24-K27 PolarHBondContact O-N 3.15Å; K27-K29 VanDerWaalsContact C-N 3.29Å; K27-K29 PolarHBondContact O-N 3.18Å; K27-M30 PolarHBondContact O-N 3.46Å; K27-V31 WeakPolarHBondContact O-CB 3.41Å; K27-V31 VanDerWaalsContact O-CG2 3.28Å; K27-V31 WeakPolarHBondContact O-CG2 3.44Å; K27-V31 PolarHBondContact O-N 3.08Å
28K95.9Very high96.4Very high122 Ų12270.2 Ų70.253%0.5335%0.347SS..Hα-helixtrans-62.5-31.9178.2-70.8178.5-176.2178.80113.6E24 D26 R32E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 3.38Å; E24-K28 VanDerWaalsContact O-N 3.09Å; E24-K28 VanDerWaalsContact OE1-CE 3.29Å; E24-K28 WeakPolarHBondContact OE1-CE 3.44Å; D26-K28 VanDerWaalsContact C-N 3.35Å; D26-K28 PolarHBondContact O-N 2.94Å; K28-R32 WeakPolarHBondContact O-CG 3.4Å; K28-R32 PolarHBondContact O-N 3Å; K28-R32 PolarHBondContact O-NE 2.72Å
29K96.6Very high96.4Very high115 Ų11571.2 Ų71.250%0.535%0.354SS..Hα-helixtrans-71.3-49.9175-177.1-178.1174-173.70110.5R25 D26 K27 R32 E33R25-K29 PolarHBondContact O-N 3.47Å; D26-K29 WeakPolarHBondContact O-CB 3.24Å; D26-K29 PolarHBondContact O-N 3.08Å; K27-K29 VanDerWaalsContact C-N 3.29Å; K27-K29 PolarHBondContact O-N 3.18Å; K29-R32 PolarHBondContact O-N 2.91Å; K29-E33 WeakPolarHBondContact O-CB 3.46Å; K29-E33 PolarHBondContact O-N 3.46Å
30M96.7Very high96.4Very high22 Ų2273.4 Ų73.411%0.10838%0.381CS..Hα-helixtrans-61.4-45.3-178.6-68.2176.674.500112F3 W18 T22 D26 K27 R32 E33 L34 W51F3-M30 HydrophobicContact CD1-CE 4.44Å; F3-M30 HydrophobicContact CE1-CE 3.51Å; F3-M30 HydrophobicContact CZ-CE 4.05Å; W18-M30 HydrophobicContact CH2-CB 4.06Å; W18-M30 HydrophobicContact CH2-SD 4.19Å; W18-M30 HydrophobicContact CZ3-CE 4.31Å; W18-M30 HydrophobicContact CZ3-SD 4.16Å; T22-M30 HydrophobicContact CG2-SD 4.45Å; D26-M30 WeakPolarHBondContact O-CB 3.25Å; D26-M30 VanDerWaalsContact O-CG 3.22Å; D26-M30 WeakPolarHBondContact O-CG 3.3Å; D26-M30 PolarHBondContact O-N 3.43Å; K27-M30 PolarHBondContact O-N 3.46Å; M30-R32 PolarHBondContact O-N 2.9Å; M30-E33 PolarHBondContact O-N 3.22Å; M30-L34 WeakPolarHBondContact O-CB 3.49Å; M30-L34 PolarHBondContact O-N 3.11Å; M30-W51 HydrophobicContact CB-CH2 3.88Å; M30-W51 HydrophobicContact CE-CH2 3.54Å; M30-W51 HydrophobicContact CE-CZ3 3.64Å; M30-W51 HydrophobicContact CG-CH2 3.82Å
31V97.6Very high96.5Very high12 Ų1273.6 Ų73.67%0.07338%0.376CS..Hα-helixtrans-58.3-50.2177.2169.20000111.1L5 L13 W18 K27 E33 L34 M35L5-V31 HydrophobicContact CD1-CG2 4.02Å; L5-V31 HydrophobicContact CD2-CG2 3.91Å; L13-V31 HydrophobicContact CD1-CG1 4Å; L13-V31 HydrophobicContact CD2-CG1 4.17Å; W18-V31 HydrophobicContact CZ2-CG2 3.81Å; K27-V31 WeakPolarHBondContact O-CB 3.41Å; K27-V31 VanDerWaalsContact O-CG2 3.28Å; K27-V31 WeakPolarHBondContact O-CG2 3.44Å; K27-V31 PolarHBondContact O-N 3.08Å; V31-E33 PolarHBondContact O-N 2.85Å; V31-L34 PolarHBondContact O-N 2.92Å; V31-M35 HydrophobicContact CG1-CG 4.32Å; V31-M35 HydrophobicContact CG1-SD 3.43Å; V31-M35 WeakPolarHBondContact CG1-SD 3.47Å; V31-M35 VanDerWaalsContact O-CB 3.25Å; V31-M35 WeakPolarHBondContact O-CB 3.4Å; V31-M35 WeakPolarHBondContact O-CG 3.47Å; V31-M35 PolarHBondContact O-N 3.28Å
32R96.9Very high96.5Very high169 Ų16975.9 Ų75.964%0.63837%0.365SS*.Hα-helixtrans-61.7-47.6-179.5-76.6-173.4-67.1161.6-2112.2K28 K29 M30 Q36K28-R32 WeakPolarHBondContact O-CG 3.4Å; K28-R32 PolarHBondContact O-N 3Å; K28-R32 PolarHBondContact O-NE 2.72Å; K29-R32 PolarHBondContact O-N 2.91Å; M30-R32 PolarHBondContact O-N 2.9Å; R32-Q36 VanDerWaalsContact O-CG 3.29Å; R32-Q36 WeakPolarHBondContact O-CG 3.31Å; R32-Q36 PolarHBondContact O-N 3.46Å; R32-Q36 VanDerWaalsContact O-N 3.09Å
33E96.6Very high96.3Very high60 Ų6080 Ų8028%0.2839%0.393SS..Hα-helixtrans-61.2-50.3180-174.9-176.4149.500111.2K29 M30 V31 M35 Q36 V37 W51 R52K29-E33 WeakPolarHBondContact O-CB 3.46Å; K29-E33 PolarHBondContact O-N 3.46Å; M30-E33 PolarHBondContact O-N 3.22Å; V31-E33 PolarHBondContact O-N 2.85Å; E33-M35 PolarHBondContact O-N 2.88Å; E33-Q36 WeakPolarHBondContact O-CB 3.33Å; E33-Q36 PolarHBondContact O-N 2.77Å; E33-V37 WeakPolarHBondContact O-CG2 3.37Å; E33-V37 PolarHBondContact O-N 2.87Å; E33-W51 HydrophobicContact CB-CZ2 4.47Å; E33-W51 HydrophobicContact CG-CZ2 4.28Å; E33-W51 PolarHBondContact OE1-NE1 3.38Å; E33-R52 IonicContact OE1-NE 3.05Å; E33-R52 IonicContact OE1-NH2 2.83Å; E33-R52 IonicContact OE2-CZ 3.24Å; E33-R52 IonicContact OE2-NE 2.88Å; E33-R52 IonicContact OE2-NH2 2.75Å; E33-R52 PolarHBondContact OE2-NH2 3.44Å
34L97.2Very high96.1Very high0 Ų087.5 Ų87.50%042%0.415CS..Hα-helixtrans-67.6-40.3-176.3-172.659.1000112.2F3 L5 M30 V31 Q36 V37 V38 W51 I56F3-L34 HydrophobicContact CE2-CD2 3.66Å; F3-L34 HydrophobicContact CZ-CD2 3.96Å; L5-L34 HydrophobicContact CD1-CD2 4.11Å; M30-L34 WeakPolarHBondContact O-CB 3.49Å; M30-L34 PolarHBondContact O-N 3.11Å; V31-L34 PolarHBondContact O-N 2.92Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 3.02Å; L34-V37 PolarHBondContact O-N 2.9Å; L34-V38 HydrophobicContact CD1-CG2 4.3Å; L34-V38 HydrophobicContact CG-CG2 4.46Å; L34-V38 WeakPolarHBondContact O-CG2 3.39Å; L34-V38 PolarHBondContact O-N 2.81Å; L34-W51 HydrophobicContact CD1-CD2 4.19Å; L34-W51 HydrophobicContact CD1-CG 4.24Å; L34-I56 HydrophobicContact CD1-CB 4.46Å; L34-I56 HydrophobicContact CD1-CD1 4.01Å; L34-I56 HydrophobicContact CD1-CG1 3.79Å; L34-I56 HydrophobicContact CD1-CG2 4.02Å; L34-I56 HydrophobicContact CD2-CD1 3.91Å
35M97.8Very high96.1Very high15 Ų1587.6 Ų87.67%0.07442%0.416CS..Hα-helixtrans-60.8-42.9174.4-73.3174.660.100111.6F7 G11 L13 V31 E33 V38 L39F7-M35 HydrophobicContact CB-CE 3.53Å; F7-M35 HydrophobicContact CB-CG 4.33Å; F7-M35 HydrophobicContact CB-SD 3.99Å; F7-M35 HydrophobicContact CD1-CG 3.63Å; F7-M35 HydrophobicContact CD1-SD 4.22Å; F7-M35 HydrophobicContact CD2-CB 4.48Å; F7-M35 HydrophobicContact CD2-CE 4.03Å; F7-M35 HydrophobicContact CD2-CG 3.94Å; F7-M35 HydrophobicContact CE1-CG 3.81Å; F7-M35 HydrophobicContact CE2-CB 4.41Å; F7-M35 HydrophobicContact CE2-CG 4.1Å; F7-M35 HydrophobicContact CG-CE 3.81Å; F7-M35 HydrophobicContact CG-CG 3.7Å; F7-M35 HydrophobicContact CG-SD 4.03Å; F7-M35 HydrophobicContact CZ-CG 4.04Å; G11-M35 VanDerWaalsContact CA-CE 3.42Å; G11-M35 WeakPolarHBondContact O-CE 3.22Å; L13-M35 HydrophobicContact CD1-SD 4.21Å; V31-M35 HydrophobicContact CG1-CG 4.32Å; V31-M35 HydrophobicContact CG1-SD 3.43Å; V31-M35 WeakPolarHBondContact CG1-SD 3.47Å; V31-M35 VanDerWaalsContact O-CB 3.25Å; V31-M35 WeakPolarHBondContact O-CB 3.4Å; V31-M35 WeakPolarHBondContact O-CG 3.47Å; V31-M35 PolarHBondContact O-N 3.28Å; E33-M35 PolarHBondContact O-N 2.88Å; M35-V38 PolarHBondContact O-N 2.91Å; M35-L39 VanDerWaalsContact O-CB 3.22Å; M35-L39 WeakPolarHBondContact O-CB 3.5Å; M35-L39 WeakPolarHBondContact O-CD1 3.16Å; M35-L39 WeakPolarHBondContact O-CG 3.43Å; M35-L39 PolarHBondContact O-N 3.04Å
36Q97Very high96.2Very high144 Ų14480.8 Ų80.867%0.67340%0.401SS*.Hα-helixtrans-61-45.4175.8-76.2177.5-18.900111.7R32 E33 L34 A40R32-Q36 VanDerWaalsContact O-CG 3.29Å; R32-Q36 WeakPolarHBondContact O-CG 3.31Å; R32-Q36 PolarHBondContact O-N 3.46Å; R32-Q36 VanDerWaalsContact O-N 3.09Å; E33-Q36 WeakPolarHBondContact O-CB 3.33Å; E33-Q36 PolarHBondContact O-N 2.77Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 3.02Å; Q36-A40 WeakPolarHBondContact O-CB 3.42Å; Q36-A40 PolarHBondContact O-N 2.83Å; Q36-A40 VanDerWaalsContact O-N 3.11Å
37V97.2Very high96.3Very high56 Ų5678.3 Ų78.334%0.33939%0.39SS..Hα-helixtrans-60.8-50178171.60000111E33 L34 A40 R41 L49E33-V37 WeakPolarHBondContact O-CG2 3.37Å; E33-V37 PolarHBondContact O-N 2.87Å; L34-V37 PolarHBondContact O-N 2.9Å; V37-A40 PolarHBondContact O-N 2.79Å; V37-R41 WeakPolarHBondContact O-CG 3.4Å; V37-L49 HydrophobicContact CG1-CD1 4.32Å; V37-L49 HydrophobicContact CG1-CD2 4.22Å
38V97.5Very high96.3Very high0 Ų079.1 Ų79.10%039%0.393CS..Hα-helixtrans-66.3-43.2-177.51730000111.6F7 L34 M35 A40 R41 L49 Y58 Y65F7-V38 HydrophobicContact CE2-CB 4.37Å; F7-V38 HydrophobicContact CE2-CG1 4.15Å; F7-V38 HydrophobicContact CZ-CB 3.91Å; F7-V38 HydrophobicContact CZ-CG1 3.82Å; F7-V38 HydrophobicContact CZ-CG2 4.38Å; L34-V38 HydrophobicContact CD1-CG2 4.3Å; L34-V38 HydrophobicContact CG-CG2 4.46Å; L34-V38 WeakPolarHBondContact O-CG2 3.39Å; L34-V38 PolarHBondContact O-N 2.81Å; M35-V38 PolarHBondContact O-N 2.91Å; V38-A40 VanDerWaalsContact C-N 3.28Å; V38-A40 PolarHBondContact O-N 3.4Å; V38-R41 WeakPolarHBondContact O-CB 3.44Å; V38-R41 PolarHBondContact O-N 3.16Å; V38-L49 HydrophobicContact CG2-CD2 4.33Å; V38-Y58 HydrophobicContact CG1-CD2 3.59Å; V38-Y58 HydrophobicContact CG1-CE2 3.96Å; V38-Y58 HydrophobicContact CG1-CG 3.93Å; V38-Y58 HydrophobicContact CG2-CD1 4.49Å; V38-Y58 HydrophobicContact CG2-CG 4.38Å; V38-Y65 HydrophobicContact CG1-CD1 3.61Å; V38-Y65 HydrophobicContact CG1-CE1 4.02Å; V38-Y65 HydrophobicContact CG1-CG 4.39Å
39L97.1Very high96.3Very high55 Ų5574.2 Ų74.229%0.28837%0.373SS..Hα-helixtrans-68.7-25.5-178.9-69.9171.8000113.3F7 M35 R41 Y65F7-L39 HydrophobicContact CD2-CD2 4.38Å; F7-L39 HydrophobicContact CD2-CG 4.45Å; F7-L39 HydrophobicContact CE2-CD2 4.12Å; F7-L39 HydrophobicContact CE2-CG 4.05Å; M35-L39 VanDerWaalsContact O-CB 3.22Å; M35-L39 WeakPolarHBondContact O-CB 3.5Å; M35-L39 WeakPolarHBondContact O-CD1 3.16Å; M35-L39 WeakPolarHBondContact O-CG 3.43Å; M35-L39 PolarHBondContact O-N 3.04Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.46Å; L39-Y65 HydrophobicContact CD2-CD2 3.94Å; L39-Y65 HydrophobicContact CD2-CE2 3.6Å
40A96.9Very high96.3Very high86 Ų8677 Ų7771%0.71139%0.387SS*.THydrogen-bonded Turntrans-75.5-12176.200000113.7Q36 V37 V38Q36-A40 WeakPolarHBondContact O-CB 3.42Å; Q36-A40 PolarHBondContact O-N 2.83Å; Q36-A40 VanDerWaalsContact O-N 3.11Å; V37-A40 PolarHBondContact O-N 2.79Å; V38-A40 VanDerWaalsContact C-N 3.28Å; V38-A40 PolarHBondContact O-N 3.4Å
41R96.8Very high96.3Very high57 Ų5776.7 Ų76.722%0.21539%0.385CS..SBendtrans-79.4145.2-175.3-67.3174.17288.2-8.4112.5V37 V38 L39 M45 C46 Y58V37-R41 WeakPolarHBondContact O-CG 3.4Å; V38-R41 WeakPolarHBondContact O-CB 3.44Å; V38-R41 PolarHBondContact O-N 3.16Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.46Å; R41-M45 HydrophobicContact CB-SD 3.98Å; R41-M45 HydrophobicContact CG-SD 4.22Å; R41-C46 PolarHBondContact NH2-O 3.06Å; R41-Y58 WeakPolarHBondContact CD-OH 3.14Å; R41-Y58 PolarHBondContact NE-OH 2.83Å
42K94.9Very high96Very high159 Ų15982 Ų8269%0.69140%0.404SS*.  trans-77.2149.6176.6-62.6178-177.8175.40110.7K44 M45K42-K44 PolarHBondContact O-N 3.01Å; K42-M45 HydrophobicContact CB-CG 4.06Å; K42-M45 HydrophobicContact CB-SD 4.22Å; K42-M45 PolarHBondContact N-SD 3.46Å; K42-M45 WeakPolarHBondContact O-CB 3.5Å; K42-M45 WeakPolarHBondContact O-CG 3.49Å; K42-M45 PolarHBondContact O-N 3.38Å
43P90.3Very high95.9Very high130 Ų13081.2 Ų81.284%0.84441%0.412SS*.THydrogen-bonded Turntrans-58.5-24.1-174.5-28.635.7000117
44K92Very high95.8Very high212 Ų21278.9 Ų78.992%0.92240%0.402SS*.THydrogen-bonded Turntrans-93.33.1-179.8-65.2-173176.8-176.10113.8K42K42-K44 PolarHBondContact O-N 3.01Å
45M96.3Very high95.9Very high93 Ų9381 Ų8146%0.45841%0.411SS..SBendtrans-74.6159.7177.5-63.1-17386.600110.9R41 K42R41-M45 HydrophobicContact CB-SD 3.98Å; R41-M45 HydrophobicContact CG-SD 4.22Å; K42-M45 HydrophobicContact CB-CG 4.06Å; K42-M45 HydrophobicContact CB-SD 4.22Å; K42-M45 PolarHBondContact N-SD 3.46Å; K42-M45 WeakPolarHBondContact O-CB 3.5Å; K42-M45 WeakPolarHBondContact O-CG 3.49Å; K42-M45 PolarHBondContact O-N 3.38Å
46C96.5Very high95.9Very high72 Ų7280.3 Ų80.349%0.48641%0.407SS..  trans-55.7140.2176.6-169.90000111.3R41 F48 Y58R41-C46 PolarHBondContact NH2-O 3.06Å; C46-F48 PolarHBondContact O-N 2.97Å; C46-F48 WeakPolarHBondContact SG-CD2 3.49Å; C46-F48 PolarHBondContact SG-N 3.29Å; C46-F48 VanDerWaalsContact SG-N 3.37Å; C46-Y58 WeakPolarHBondContact O-CE1 3.47Å; C46-Y58 PolarHBondContact O-OH 3.46Å
47S97.3Very high96Very high25 Ų2573.4 Ų73.418%0.17538%0.375CS..SBendtrans-68.5-7.1171.9-89.60000113.5Y58S47-Y58 VanDerWaalsContact CB-O 3.25Å; S47-Y58 WeakPolarHBondContact CB-O 3.43Å; S47-Y58 VanDerWaalsContact O-CD1 3.24Å; S47-Y58 WeakPolarHBondContact O-CD1 3.47Å; S47-Y58 PolarHBondContact O-N 2.87Å; S47-Y58 PolarHBondContact OG-O 2.81Å
48F97.7Very high96Very high58 Ų5871.5 Ų71.525%0.25436%0.362SS..EExtended strand (participates in β ladder)trans-113142178.5-39.4-51.2000109.7C46 I56 V57 E76 L77 L80C46-F48 PolarHBondContact O-N 2.97Å; C46-F48 WeakPolarHBondContact SG-CD2 3.49Å; C46-F48 PolarHBondContact SG-N 3.29Å; C46-F48 VanDerWaalsContact SG-N 3.37Å; F48-I56 VanDerWaalsContact CA-O 3.3Å; F48-I56 WeakPolarHBondContact CA-O 3.07Å; F48-V57 HydrophobicContact CD1-CB 4.29Å; F48-V57 HydrophobicContact CD1-CG1 3.93Å; F48-V57 HydrophobicContact CD1-CG2 3.94Å; F48-V57 HydrophobicContact CE1-CG1 3.79Å; F48-V57 HydrophobicContact CE1-CG2 4.38Å; F48-E76 HydrophobicContact CD1-CB 3.58Å; F48-E76 HydrophobicContact CD1-CG 4.28Å; F48-E76 HydrophobicContact CD2-CB 4.26Å; F48-E76 HydrophobicContact CE1-CB 3.66Å; F48-E76 HydrophobicContact CE2-CB 4.35Å; F48-E76 HydrophobicContact CG-CB 3.91Å; F48-E76 HydrophobicContact CG-CG 4.3Å; F48-E76 HydrophobicContact CZ-CB 4.09Å; F48-L77 HydrophobicContact CE2-CD2 4.09Å; F48-L77 HydrophobicContact CZ-CD2 3.77Å; F48-L80 HydrophobicContact CE1-CB 4.4Å; F48-L80 HydrophobicContact CE1-CD2 4.35Å; F48-L80 HydrophobicContact CZ-CD2 4.23Å
49L96.4Very high96Very high19 Ų1975.4 Ų75.410%0.09938%0.379CS..EExtended strand (participates in β ladder)trans-148145.7170.962.592.9000109.9V37 V38 W51 I56 Y58V37-L49 HydrophobicContact CG1-CD1 4.32Å; V37-L49 HydrophobicContact CG1-CD2 4.22Å; V38-L49 HydrophobicContact CG2-CD2 4.33Å; L49-W51 HydrophobicContact CD1-CB 3.74Å; L49-I56 HydrophobicContact CD1-CB 3.6Å; L49-I56 HydrophobicContact CD1-CG1 3.71Å; L49-I56 HydrophobicContact CD1-CG2 4.18Å; L49-I56 HydrophobicContact CD2-CG2 4.44Å; L49-I56 HydrophobicContact CG-CB 3.77Å; L49-I56 HydrophobicContact CG-CG1 4.44Å; L49-I56 HydrophobicContact CG-CG2 4.14Å; L49-I56 PolarHBondContact N-O 2.78Å; L49-I56 PolarHBondContact O-N 2.87Å; L49-Y58 HydrophobicContact CD2-CD1 4.05Å; L49-Y58 HydrophobicContact CD2-CE1 3.89Å
50E96.4Very high96.1Very high172 Ų17277.6 Ų77.680%0.80438%0.383SS*.EExtended strand (participates in β ladder)trans-81.1133.1169.2-67.5173.6-175.300108.7
51W96.1Very high96Very high17 Ų1776.1 Ų76.16%0.06436%0.36CS..EExtended strand (participates in β ladder)trans-145.3110.5177.3175.675.6000109.1F3 M30 E33 L34 L49 L54 I56F3-W51 HydrophobicContact CZ-CZ3 4.11Å; M30-W51 HydrophobicContact CB-CH2 3.88Å; M30-W51 HydrophobicContact CE-CH2 3.54Å; M30-W51 HydrophobicContact CE-CZ3 3.64Å; M30-W51 HydrophobicContact CG-CH2 3.82Å; E33-W51 HydrophobicContact CB-CZ2 4.47Å; E33-W51 HydrophobicContact CG-CZ2 4.28Å; E33-W51 PolarHBondContact OE1-NE1 3.38Å; L34-W51 HydrophobicContact CD1-CD2 4.19Å; L34-W51 HydrophobicContact CD1-CG 4.24Å; L49-W51 HydrophobicContact CD1-CB 3.74Å; W51-L54 HydrophobicContact CZ3-CD1 4.33Å; W51-L54 PolarHBondContact N-O 2.94Å; W51-L54 PolarHBondContact O-N 2.69Å; W51-I56 HydrophobicContact CB-CD1 4.42Å; W51-I56 HydrophobicContact CB-CG1 3.63Å; W51-I56 HydrophobicContact CE3-CD1 3.93Å; W51-I56 HydrophobicContact CE3-CG1 4.37Å; W51-I56 HydrophobicContact CG-CG1 4.36Å
52R92Very high95.9Very high123 Ų12377.7 Ų77.746%0.46439%0.385SS..THydrogen-bonded Turntrans56.4-140.9-168.2-49.4176177.8-175.22.6108.9E33 L54E33-R52 IonicContact OE1-NE 3.05Å; E33-R52 IonicContact OE1-NH2 2.83Å; E33-R52 IonicContact OE2-CZ 3.24Å; E33-R52 IonicContact OE2-NE 2.88Å; E33-R52 IonicContact OE2-NH2 2.75Å; E33-R52 PolarHBondContact OE2-NH2 3.44Å; R52-L54 PolarHBondContact O-N 3.24Å
53D93.3Very high95.8Very high152 Ų15272.2 Ų72.281%0.81337%0.367SS*.THydrogen-bonded Turntrans-86.526.2177.9-43.7-53.9000112.4
54L96.3Very high96.2Very high12 Ų1266.5 Ų66.56%0.06333%0.329CS..EExtended strand (participates in β ladder)trans-129.8154.1-178-62.2175.1000111.3R2 F3 W51 R52 A69R2-L54 HydrophobicContact CG-CD2 4.32Å; F3-L54 HydrophobicContact CE1-CD1 4.41Å; W51-L54 HydrophobicContact CZ3-CD1 4.33Å; W51-L54 PolarHBondContact N-O 2.94Å; W51-L54 PolarHBondContact O-N 2.69Å; R52-L54 PolarHBondContact O-N 3.24Å; L54-A69 HydrophobicContact CD1-CB 4.26Å
55K97.7Very high96.5Very high44 Ų4457.5 Ų57.519%0.19129%0.289CS..EExtended strand (participates in β ladder)trans-97.7132.8168.7-68.2175.7172.2-177.40109.2V70 E72 E76K55-V70 HydrophobicContact CB-CG2 3.88Å; K55-V70 PolarHBondContact N-O 2.88Å; K55-V70 WeakPolarHBondContact O-CG2 3.44Å; K55-V70 PolarHBondContact O-N 2.9Å; K55-E72 VanDerWaalsContact CE-O 3.24Å; K55-E72 WeakPolarHBondContact CE-O 3.39Å; K55-E72 PolarHBondContact NZ-O 3.05Å; K55-E76 HydrophobicContact CD-CG 4.19Å; K55-E76 VanDerWaalsContact CD-OE1 3.22Å; K55-E76 WeakPolarHBondContact CD-OE1 3.44Å; K55-E76 VanDerWaalsContact CE-OE1 3.24Å; K55-E76 WeakPolarHBondContact CE-OE1 3.26Å; K55-E76 IonicContact NZ-OE1 3.04Å; K55-E76 PolarHBondContact NZ-OE1 2.95Å
56I98.3Very high96.6Very high0 Ų053.3 Ų53.30%027%0.269CS..EExtended strand (participates in β ladder)trans-108.3125.1177.7-56.6-59.9000108.6L34 F48 L49 W51 C67 C68 A69L34-I56 HydrophobicContact CD1-CB 4.46Å; L34-I56 HydrophobicContact CD1-CD1 4.01Å; L34-I56 HydrophobicContact CD1-CG1 3.79Å; L34-I56 HydrophobicContact CD1-CG2 4.02Å; L34-I56 HydrophobicContact CD2-CD1 3.91Å; F48-I56 VanDerWaalsContact CA-O 3.3Å; F48-I56 WeakPolarHBondContact CA-O 3.07Å; L49-I56 HydrophobicContact CD1-CB 3.6Å; L49-I56 HydrophobicContact CD1-CG1 3.71Å; L49-I56 HydrophobicContact CD1-CG2 4.18Å; L49-I56 HydrophobicContact CD2-CG2 4.44Å; L49-I56 HydrophobicContact CG-CB 3.77Å; L49-I56 HydrophobicContact CG-CG1 4.44Å; L49-I56 HydrophobicContact CG-CG2 4.14Å; L49-I56 PolarHBondContact N-O 2.78Å; L49-I56 PolarHBondContact O-N 2.87Å; W51-I56 HydrophobicContact CB-CD1 4.42Å; W51-I56 HydrophobicContact CB-CG1 3.63Å; W51-I56 HydrophobicContact CE3-CD1 3.93Å; W51-I56 HydrophobicContact CE3-CG1 4.37Å; W51-I56 HydrophobicContact CG-CG1 4.36Å; I56-C67 WeakPolarHBondContact CG2-SG 3.42Å; I56-C68 WeakPolarHBondContact CA-O 3.46Å; I56-A69 HydrophobicContact CD1-CB 3.52Å
57V98.6Very high96.7Very high0 Ų049.9 Ų49.90%025%0.245CC..EExtended strand (participates in β ladder)trans-110.9121.1174.5-177.70000108F48 C67 C68 V70 E76 T79 L80 I83F48-V57 HydrophobicContact CD1-CB 4.29Å; F48-V57 HydrophobicContact CD1-CG1 3.93Å; F48-V57 HydrophobicContact CD1-CG2 3.94Å; F48-V57 HydrophobicContact CE1-CG1 3.79Å; F48-V57 HydrophobicContact CE1-CG2 4.38Å; V57-C67 CarbonylContact O-C 3.54Å; V57-C67 WeakPolarHBondContact O-CA 3.43Å; V57-C68 PolarHBondContact N-O 3.08Å; V57-C68 PolarHBondContact O-N 2.84Å; V57-V70 HydrophobicContact CG2-CG2 4.11Å; V57-E76 HydrophobicContact CG2-CB 3.92Å; V57-E76 HydrophobicContact CG2-CG 4.23Å; V57-T79 HydrophobicContact CB-CG2 3.72Å; V57-T79 HydrophobicContact CG1-CG2 4.01Å; V57-T79 HydrophobicContact CG2-CG2 3.82Å; V57-L80 HydrophobicContact CG1-CB 4.05Å; V57-L80 HydrophobicContact CG1-CD1 3.91Å; V57-I83 HydrophobicContact CG1-CD1 4.12Å
58Y98.3Very high96.7Very high16 Ų1648.7 Ų48.76%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-135.1147.3179.580.2-81.6000113.1V38 R41 C46 S47 L49 Y65 F66V38-Y58 HydrophobicContact CG1-CD2 3.59Å; V38-Y58 HydrophobicContact CG1-CE2 3.96Å; V38-Y58 HydrophobicContact CG1-CG 3.93Å; V38-Y58 HydrophobicContact CG2-CD1 4.49Å; V38-Y58 HydrophobicContact CG2-CG 4.38Å; R41-Y58 WeakPolarHBondContact CD-OH 3.14Å; R41-Y58 PolarHBondContact NE-OH 2.83Å; C46-Y58 WeakPolarHBondContact O-CE1 3.47Å; C46-Y58 PolarHBondContact O-OH 3.46Å; S47-Y58 VanDerWaalsContact CB-O 3.25Å; S47-Y58 WeakPolarHBondContact CB-O 3.43Å; S47-Y58 VanDerWaalsContact O-CD1 3.24Å; S47-Y58 WeakPolarHBondContact O-CD1 3.47Å; S47-Y58 PolarHBondContact O-N 2.87Å; S47-Y58 PolarHBondContact OG-O 2.81Å; L49-Y58 HydrophobicContact CD2-CD1 4.05Å; L49-Y58 HydrophobicContact CD2-CE1 3.89Å; Y58-Y65 HydrophobicContact CD2-CD1 4.19Å; Y58-F66 CarbonylContact C-O 3.55Å; Y58-F66 WeakPolarHBondContact CA-O 3.13Å; Y58-F66 WeakPolarHBondContact CB-O 3.25Å
59K98Very high96.7Very high82 Ų8245.9 Ų45.936%0.35723%0.225SC..EExtended strand (participates in β ladder)trans-140.9138.8174.5-169.365.3170.6-1710110.1Y61 F66 L80 I83K59-Y61 HydrophobicContact CB-CD2 4.4Å; K59-Y61 HydrophobicContact CB-CE2 3.79Å; K59-Y61 HydrophobicContact CG-CD2 4.02Å; K59-Y61 HydrophobicContact CG-CE2 3.35Å; K59-F66 PolarHBondContact N-O 2.88Å; K59-F66 PolarHBondContact O-N 2.86Å; K59-L80 HydrophobicContact CB-CD1 3.9Å; K59-L80 HydrophobicContact CD-CD1 4.37Å; K59-L80 HydrophobicContact CG-CD1 4.41Å; K59-I83 HydrophobicContact CB-CG2 4.17Å
60R97.3Very high96.8Very high100 Ų10045 Ų4538%0.37722%0.221SC..EExtended strand (participates in β ladder)trans-97.7127.5174.6-174.3-172.5168.8-151.3-12.4110A62 L64 Y65R60-A62 PolarHBondContact NE-O 2.89Å; R60-A62 PolarHBondContact NH2-O 3.01Å; R60-L64 CarbonylContact C-O 3.5Å; R60-L64 VanDerWaalsContact CA-O 3.31Å; R60-L64 WeakPolarHBondContact CA-O 3.22Å; R60-L64 WeakPolarHBondContact CG-O 3.29Å; R60-Y65 HydrophobicContact CB-CD1 4.04Å; R60-Y65 HydrophobicContact CB-CE1 3.9Å; R60-Y65 HydrophobicContact CG-CD1 4.34Å; R60-Y65 HydrophobicContact CG-CD2 4.39Å; R60-Y65 HydrophobicContact CG-CE1 4.09Å; R60-Y65 HydrophobicContact CG-CE2 4.13Å; R60-Y65 HydrophobicContact CG-CG 4.49Å
61Y96.6Very high96.8Very high56 Ų5639.7 Ų39.722%0.2220%0.196CC..EExtended strand (participates in β ladder)trans-119.7116.1169.7-67.5-91.3000108.3K59 S63 L64 F66 I83 H84 V87K59-Y61 HydrophobicContact CB-CD2 4.4Å; K59-Y61 HydrophobicContact CB-CE2 3.79Å; K59-Y61 HydrophobicContact CG-CD2 4.02Å; K59-Y61 HydrophobicContact CG-CE2 3.35Å; Y61-S63 PolarHBondContact O-N 2.79Å; Y61-S63 VanDerWaalsContact O-N 3.08Å; Y61-L64 PolarHBondContact N-O 3.49Å; Y61-L64 PolarHBondContact O-N 3.09Å; Y61-F66 AromaticContact CD2-CD2 3.77Å; Y61-F66 HydrophobicContact CD2-CD2 3.77Å; Y61-F66 HydrophobicContact CD2-CE2 4.09Å; Y61-F66 HydrophobicContact CD2-CG 4.5Å; Y61-I83 HydrophobicContact CE2-CG2 3.89Å; Y61-H84 AromaticContact CE1-ND1 3.81Å; Y61-H84 AromaticContact CZ-ND1 3.71Å; Y61-H84 WeakPolarHBondContact OH-CA 3.5Å; Y61-H84 PolarHBondContact OH-ND1 2.99Å; Y61-V87 HydrophobicContact CD1-CG1 4.06Å; Y61-V87 HydrophobicContact CD2-CG2 3.79Å; Y61-V87 HydrophobicContact CE1-CG1 4.25Å; Y61-V87 HydrophobicContact CE2-CG2 3.79Å; Y61-V87 HydrophobicContact CG-CG1 4.3Å; Y61-V87 HydrophobicContact CG-CG2 4.16Å
62A94Very high96.7Very high89 Ų8945.8 Ų45.874%0.73623%0.225SC*.THydrogen-bonded Turntrans49.5-112.4-173.700000113.4R60R60-A62 PolarHBondContact NE-O 2.89Å; R60-A62 PolarHBondContact NH2-O 3.01Å
63S93.5Very high96.8Very high45 Ų4546.6 Ų46.632%0.31523%0.234SC..THydrogen-bonded Turntrans-91.5-9.5177.857.90000114.1S8 R9 Y61 E99S8-S63 CarbonylContact C-O 3.6Å; R9-S63 PolarHBondContact N-O 3.26Å; Y61-S63 PolarHBondContact O-N 2.79Å; Y61-S63 VanDerWaalsContact O-N 3.08Å; S63-E99 WeakPolarHBondContact CB-OE2 3.42Å; S63-E99 PolarHBondContact OG-OE2 2.97Å
64L97.1Very high97Very high9 Ų941.2 Ų41.25%0.04721%0.205CC..EExtended strand (participates in β ladder)trans-100.7141.5-174.2-72.5173.2000112.5R14 R60 Y61 F66 E99 I102R14-L64 HydrophobicContact CG-CD2 3.86Å; R60-L64 CarbonylContact C-O 3.5Å; R60-L64 VanDerWaalsContact CA-O 3.31Å; R60-L64 WeakPolarHBondContact CA-O 3.22Å; R60-L64 WeakPolarHBondContact CG-O 3.29Å; Y61-L64 PolarHBondContact N-O 3.49Å; Y61-L64 PolarHBondContact O-N 3.09Å; L64-F66 HydrophobicContact CB-CD2 4.4Å; L64-F66 HydrophobicContact CB-CE2 3.85Å; L64-F66 HydrophobicContact CD1-CE2 4.44Å; L64-E99 HydrophobicContact CD1-CB 3.97Å; L64-E99 HydrophobicContact CD1-CG 4.32Å; L64-E99 HydrophobicContact CD2-CB 4.29Å; L64-E99 HydrophobicContact CD2-CG 3.84Å; L64-E99 HydrophobicContact CG-CB 4Å; L64-E99 HydrophobicContact CG-CG 4.13Å; L64-I102 HydrophobicContact CD1-CD1 3.58Å
65Y98.3Very high97Very high23 Ų2344.4 Ų44.49%0.0922%0.222CC..EExtended strand (participates in β ladder)trans-106.1128.4168.2-72.2-97.9000108.6L6 F7 R9 V38 L39 Y58 R60L6-Y65 VanDerWaalsContact CA-O 3.28Å; L6-Y65 WeakPolarHBondContact CA-O 3.28Å; F7-Y65 HydrophobicContact CD2-CD2 4.32Å; F7-Y65 HydrophobicContact CD2-CG 4.27Å; F7-Y65 VanDerWaalsContact CE2-CB 3.43Å; F7-Y65 HydrophobicContact CE2-CD1 4.43Å; F7-Y65 HydrophobicContact CE2-CD2 4.14Å; F7-Y65 AromaticContact CE2-CG 3.77Å; F7-Y65 HydrophobicContact CE2-CG 3.77Å; F7-Y65 HydrophobicContact CZ-CG 4.33Å; F7-Y65 PolarHBondContact N-O 3.5Å; F7-Y65 PolarHBondContact O-N 2.95Å; R9-Y65 HydrophobicContact CB-CE2 4.23Å; V38-Y65 HydrophobicContact CG1-CD1 3.61Å; V38-Y65 HydrophobicContact CG1-CE1 4.02Å; V38-Y65 HydrophobicContact CG1-CG 4.39Å; L39-Y65 HydrophobicContact CD2-CD2 3.94Å; L39-Y65 HydrophobicContact CD2-CE2 3.6Å; Y58-Y65 HydrophobicContact CD2-CD1 4.19Å; R60-Y65 HydrophobicContact CB-CD1 4.04Å; R60-Y65 HydrophobicContact CB-CE1 3.9Å; R60-Y65 HydrophobicContact CG-CD1 4.34Å; R60-Y65 HydrophobicContact CG-CD2 4.39Å; R60-Y65 HydrophobicContact CG-CE1 4.09Å; R60-Y65 HydrophobicContact CG-CE2 4.13Å; R60-Y65 HydrophobicContact CG-CG 4.49Å
66F98.5Very high97Very high5 Ų544.8 Ų44.82%0.02222%0.224CC..EExtended strand (participates in β ladder)trans-105.3128.5170.2-68.5-109.2000106.9M4 L6 Y58 K59 Y61 L64 I83 F86 V87 L90M4-F66 HydrophobicContact CE-CD1 3.84Å; L6-F66 HydrophobicContact CD1-CD1 3.74Å; L6-F66 HydrophobicContact CD1-CE1 4.04Å; L6-F66 HydrophobicContact CD1-CG 4.47Å; L6-F66 HydrophobicContact CD2-CD1 4.05Å; L6-F66 HydrophobicContact CD2-CE1 3.49Å; L6-F66 VanDerWaalsContact CD2-CE1 3.49Å; L6-F66 HydrophobicContact CD2-CZ 3.87Å; L6-F66 HydrophobicContact CG-CD1 3.65Å; L6-F66 HydrophobicContact CG-CE1 3.64Å; L6-F66 HydrophobicContact CG-CG 4.19Å; L6-F66 HydrophobicContact CG-CZ 4.14Å; Y58-F66 CarbonylContact C-O 3.55Å; Y58-F66 WeakPolarHBondContact CA-O 3.13Å; Y58-F66 WeakPolarHBondContact CB-O 3.25Å; K59-F66 PolarHBondContact N-O 2.88Å; K59-F66 PolarHBondContact O-N 2.86Å; Y61-F66 AromaticContact CD2-CD2 3.77Å; Y61-F66 HydrophobicContact CD2-CD2 3.77Å; Y61-F66 HydrophobicContact CD2-CE2 4.09Å; Y61-F66 HydrophobicContact CD2-CG 4.5Å; L64-F66 HydrophobicContact CB-CD2 4.4Å; L64-F66 HydrophobicContact CB-CE2 3.85Å; L64-F66 HydrophobicContact CD1-CE2 4.44Å; F66-I83 HydrophobicContact CB-CD1 4.49Å; F66-I83 HydrophobicContact CB-CG1 4.49Å; F66-I83 HydrophobicContact CB-CG2 3.44Å; F66-I83 VanDerWaalsContact CB-CG2 3.44Å; F66-I83 HydrophobicContact CD1-CG2 4.28Å; F66-I83 HydrophobicContact CG-CG2 3.98Å; F66-F86 HydrophobicContact CD1-CD1 4.1Å; F66-F86 AromaticContact CE1-CD1 3.8Å; F66-F86 HydrophobicContact CE1-CD1 3.8Å; F66-F86 HydrophobicContact CE1-CE1 4Å; F66-V87 HydrophobicContact CD1-CG2 4.09Å; F66-V87 HydrophobicContact CD2-CG2 4.25Å; F66-V87 HydrophobicContact CE1-CG2 3.67Å; F66-V87 HydrophobicContact CE2-CG2 3.87Å; F66-V87 HydrophobicContact CG-CG2 4.38Å; F66-V87 HydrophobicContact CZ-CG2 3.57Å; F66-L90 HydrophobicContact CE1-CD1 4.14Å; F66-L90 HydrophobicContact CZ-CD1 4.29Å
67C98.3Very high97Very high0 Ų050 Ų500%025%0.252CS..EExtended strand (participates in β ladder)trans-140.8120.4-170.9-174.90000109.8M4 L5 F7 I56 V57M4-C67 CarbonylContact C-O 3.58Å; M4-C67 WeakPolarHBondContact CA-O 3.4Å; L5-C67 HydrophobicContact CB-CB 4.39Å; L5-C67 PolarHBondContact N-O 2.68Å; L5-C67 PolarHBondContact O-N 3.5Å; F7-C67 HydrophobicContact CE1-CB 3.77Å; F7-C67 HydrophobicContact CZ-CB 4.33Å; I56-C67 WeakPolarHBondContact CG2-SG 3.42Å; V57-C67 CarbonylContact O-C 3.54Å; V57-C67 WeakPolarHBondContact O-CA 3.43Å
68C98.4Very high96.9Very high0 Ų054.6 Ų54.60%028%0.276CS..EExtended strand (participates in β ladder)trans-113.2138.7176.2-61.70000109.6M1 F3 I56 V57 V70 T79 I83M1-C68 HydrophobicContact CE-CB 4.01Å; M1-C68 HydrophobicContact CG-CB 4.37Å; M1-C68 HydrophobicContact SD-CB 3.92Å; F3-C68 WeakPolarHBondContact O-CA 3.47Å; I56-C68 WeakPolarHBondContact CA-O 3.46Å; V57-C68 PolarHBondContact N-O 3.08Å; V57-C68 PolarHBondContact O-N 2.84Å; C68-V70 HydrophobicContact CB-CG1 4.5Å; C68-T79 HydrophobicContact CB-CG2 3.73Å; C68-I83 HydrophobicContact CB-CD1 4.45Å
69A98.1Very high96.9Very high0 Ų054.4 Ų54.40%028%0.276CS..EExtended strand (participates in β ladder)trans-102.7122.3167.600000109.4M1 R2 F3 L54 I56M1-A69 WeakPolarHBondContact CG-O 3.39Å; R2-A69 PolarHBondContact N-O 3.43Å; F3-A69 HydrophobicContact CD1-CB 3.84Å; F3-A69 HydrophobicContact CD2-CB 4Å; F3-A69 HydrophobicContact CE1-CB 3.4Å; F3-A69 VanDerWaalsContact CE1-CB 3.4Å; F3-A69 HydrophobicContact CE2-CB 3.6Å; F3-A69 HydrophobicContact CG-CB 4.13Å; F3-A69 HydrophobicContact CZ-CB 3.28Å; F3-A69 PolarHBondContact O-N 3.03Å; L54-A69 HydrophobicContact CD1-CB 4.26Å; I56-A69 HydrophobicContact CD1-CB 3.52Å
70V97.6Very high96.9Very high1 Ų152.1 Ų52.11%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-124.7162.3-176.2-60.80000110.4M1 K55 V57 C68 D74 T79M1-V70 HydrophobicContact CB-CG1 4.22Å; M1-V70 HydrophobicContact CG-CG1 4.02Å; K55-V70 HydrophobicContact CB-CG2 3.88Å; K55-V70 PolarHBondContact N-O 2.88Å; K55-V70 WeakPolarHBondContact O-CG2 3.44Å; K55-V70 PolarHBondContact O-N 2.9Å; V57-V70 HydrophobicContact CG2-CG2 4.11Å; C68-V70 HydrophobicContact CB-CG1 4.5Å; V70-D74 HydrophobicContact CB-CB 3.83Å; V70-D74 WeakPolarHBondContact CB-OD2 3.22Å; V70-D74 HydrophobicContact CG2-CB 4.06Å; V70-T79 HydrophobicContact CG1-CG2 3.65Å
71E96.3Very high96.9Very high60 Ų6053.2 Ų53.228%0.2828%0.277SS..  trans-78.2166.5-179-53.2-150.5141.300110.9R2 Q73 D74R2-E71 IonicContact CZ-OE1 3.93Å; R2-E71 IonicContact NE-OE1 3.69Å; R2-E71 PolarHBondContact NE-OE1 2.78Å; R2-E71 IonicContact NH2-OE1 2.63Å; R2-E71 PolarHBondContact NH2-OE1 2.9Å; E71-Q73 PolarHBondContact O-N 2.83Å; E71-Q73 PolarHBondContact OE2-NE2 3.26Å; E71-D74 PolarHBondContact N-OD2 3.24Å; E71-D74 WeakPolarHBondContact O-CB 3.22Å; E71-D74 PolarHBondContact O-N 2.96Å; E71-D74 VanDerWaalsContact O-N 3.13Å
72E94.4Very high97Very high145 Ų14551 Ų5168%0.67827%0.269SS*.THydrogen-bonded Turntrans-63.2-34.1-174.2-168.7-179.8174.300112.3K55 D74K55-E72 VanDerWaalsContact CE-O 3.24Å; K55-E72 WeakPolarHBondContact CE-O 3.39Å; K55-E72 PolarHBondContact NZ-O 3.05Å; E72-D74 VanDerWaalsContact C-N 3.3Å; E72-D74 PolarHBondContact O-N 3.46Å
73Q95.1Very high97.2Very high139 Ų13946.8 Ų46.865%0.6523%0.234SC*.THydrogen-bonded Turntrans-77-11.8178.369.1-83.91000114.5E71E71-Q73 PolarHBondContact O-N 2.83Å; E71-Q73 PolarHBondContact OE2-NE2 3.26Å
74D95.8Very high97.4Very high39 Ų3948.1 Ų48.121%0.20924%0.235CC..SBendtrans-77.1148.9-176.9-69.3-29.2000111.6V70 E71 E72V70-D74 HydrophobicContact CB-CB 3.83Å; V70-D74 WeakPolarHBondContact CB-OD2 3.22Å; V70-D74 HydrophobicContact CG2-CB 4.06Å; E71-D74 PolarHBondContact N-OD2 3.24Å; E71-D74 WeakPolarHBondContact O-CB 3.22Å; E71-D74 PolarHBondContact O-N 2.96Å; E71-D74 VanDerWaalsContact O-N 3.13Å; E72-D74 VanDerWaalsContact C-N 3.3Å; E72-D74 PolarHBondContact O-N 3.46Å
75N96.8Very high97.4Very high79 Ų7951.2 Ų51.242%0.42225%0.246SC..  trans-83.3119.3178.7-173-49.8000111.2L77 I78 T79N75-L77 PolarHBondContact O-N 3.49Å; N75-L77 WeakPolarHBondContact OD1-CA 3.49Å; N75-L77 WeakPolarHBondContact OD1-CB 3.35Å; N75-L77 PolarHBondContact OD1-N 3.24Å; N75-I78 HydrophobicContact CB-CB 4.13Å; N75-I78 HydrophobicContact CB-CD1 3.89Å; N75-I78 HydrophobicContact CB-CG1 4.02Å; N75-I78 PolarHBondContact O-N 2.94Å; N75-I78 PolarHBondContact OD1-N 3.4Å; N75-I78 VanDerWaalsContact OD1-N 3.08Å; N75-T79 PolarHBondContact O-N 2.87Å; N75-T79 VanDerWaalsContact O-N 3.08Å; N75-T79 PolarHBondContact O-OG1 3.09Å
76E97.4Very high97.4Very high52 Ų5250.1 Ų50.124%0.24324%0.242CC..Hα-helixtrans-70-33-176-54.489.5156.900112.6F48 K55 V57 T79 L80F48-E76 HydrophobicContact CD1-CB 3.58Å; F48-E76 HydrophobicContact CD1-CG 4.28Å; F48-E76 HydrophobicContact CD2-CB 4.26Å; F48-E76 HydrophobicContact CE1-CB 3.66Å; F48-E76 HydrophobicContact CE2-CB 4.35Å; F48-E76 HydrophobicContact CG-CB 3.91Å; F48-E76 HydrophobicContact CG-CG 4.3Å; F48-E76 HydrophobicContact CZ-CB 4.09Å; K55-E76 HydrophobicContact CD-CG 4.19Å; K55-E76 VanDerWaalsContact CD-OE1 3.22Å; K55-E76 WeakPolarHBondContact CD-OE1 3.44Å; K55-E76 VanDerWaalsContact CE-OE1 3.24Å; K55-E76 WeakPolarHBondContact CE-OE1 3.26Å; K55-E76 IonicContact NZ-OE1 3.04Å; K55-E76 PolarHBondContact NZ-OE1 2.95Å; V57-E76 HydrophobicContact CG2-CB 3.92Å; V57-E76 HydrophobicContact CG2-CG 4.23Å; E76-T79 PolarHBondContact O-N 3.48Å; E76-L80 WeakPolarHBondContact O-CB 3.19Å; E76-L80 PolarHBondContact O-N 2.99Å
77L98.1Very high97.3Very high111 Ų11150.9 Ų50.958%0.58125%0.247SC*.Hα-helixtrans-69.9-42.1178.1-60.7177.7000111.1F48 N75 T79 L80 E81F48-L77 HydrophobicContact CE2-CD2 4.09Å; F48-L77 HydrophobicContact CZ-CD2 3.77Å; N75-L77 PolarHBondContact O-N 3.49Å; N75-L77 WeakPolarHBondContact OD1-CA 3.49Å; N75-L77 WeakPolarHBondContact OD1-CB 3.35Å; N75-L77 PolarHBondContact OD1-N 3.24Å; L77-T79 VanDerWaalsContact C-N 3.3Å; L77-T79 PolarHBondContact O-N 3.12Å; L77-L80 WeakPolarHBondContact O-CB 3.12Å; L77-L80 PolarHBondContact O-N 3.4Å; L77-E81 PolarHBondContact O-N 2.87Å
78I97.2Very high97.3Very high96 Ų9653.7 Ų53.749%0.49226%0.26SS..Hα-helixtrans-63.4-41.3175-63.8178000109.9N75 L80 E81 V82N75-I78 HydrophobicContact CB-CB 4.13Å; N75-I78 HydrophobicContact CB-CD1 3.89Å; N75-I78 HydrophobicContact CB-CG1 4.02Å; N75-I78 PolarHBondContact O-N 2.94Å; N75-I78 PolarHBondContact OD1-N 3.4Å; N75-I78 VanDerWaalsContact OD1-N 3.08Å; I78-L80 VanDerWaalsContact C-N 3.28Å; I78-L80 PolarHBondContact O-N 3.36Å; I78-E81 CarbonylContact O-C 3.54Å; I78-E81 WeakPolarHBondContact O-CB 3.36Å; I78-E81 PolarHBondContact O-N 3.16Å; I78-E81 VanDerWaalsContact O-N 3.15Å; I78-V82 WeakPolarHBondContact O-CG2 3.49Å; I78-V82 PolarHBondContact O-N 3.37Å
79T98.1Very high97.2Very high11 Ų1153.7 Ų53.77%0.06726%0.26CS..Hα-helixtrans-62.5-36.6175.4-55.60000112M1 V57 C68 V70 N75 E76 L77 E81 V82 I83M1-T79 HydrophobicContact CE-CG2 4.34Å; V57-T79 HydrophobicContact CB-CG2 3.72Å; V57-T79 HydrophobicContact CG1-CG2 4.01Å; V57-T79 HydrophobicContact CG2-CG2 3.82Å; C68-T79 HydrophobicContact CB-CG2 3.73Å; V70-T79 HydrophobicContact CG1-CG2 3.65Å; N75-T79 PolarHBondContact O-N 2.87Å; N75-T79 VanDerWaalsContact O-N 3.08Å; N75-T79 PolarHBondContact O-OG1 3.09Å; E76-T79 PolarHBondContact O-N 3.48Å; L77-T79 VanDerWaalsContact C-N 3.3Å; L77-T79 PolarHBondContact O-N 3.12Å; T79-E81 VanDerWaalsContact C-N 3.34Å; T79-V82 WeakPolarHBondContact O-CB 3.36Å; T79-V82 PolarHBondContact O-N 3.05Å; T79-I83 WeakPolarHBondContact O-CG1 3.47Å; T79-I83 PolarHBondContact O-N 3.17Å
80L98.1Very high97.2Very high35 Ų3553.8 Ų53.818%0.18326%0.261CS..Hα-helixtrans-66-38.2175.4-166.267.3000111.7F48 V57 K59 E76 L77 I78 I83 H84F48-L80 HydrophobicContact CE1-CB 4.4Å; F48-L80 HydrophobicContact CE1-CD2 4.35Å; F48-L80 HydrophobicContact CZ-CD2 4.23Å; V57-L80 HydrophobicContact CG1-CB 4.05Å; V57-L80 HydrophobicContact CG1-CD1 3.91Å; K59-L80 HydrophobicContact CB-CD1 3.9Å; K59-L80 HydrophobicContact CD-CD1 4.37Å; K59-L80 HydrophobicContact CG-CD1 4.41Å; E76-L80 WeakPolarHBondContact O-CB 3.19Å; E76-L80 PolarHBondContact O-N 2.99Å; L77-L80 WeakPolarHBondContact O-CB 3.12Å; L77-L80 PolarHBondContact O-N 3.4Å; I78-L80 VanDerWaalsContact C-N 3.28Å; I78-L80 PolarHBondContact O-N 3.36Å; L80-I83 WeakPolarHBondContact O-CB 3.45Å; L80-I83 PolarHBondContact O-N 3.03Å; L80-H84 PolarHBondContact O-N 3.39Å
81E97.7Very high97.1Very high122 Ų12257.2 Ų57.257%0.5728%0.279SS*.Hα-helixtrans-66.9-36.4172.1-74.2-59.4143.100112.3L77 I78 T79 I83 H84 R85L77-E81 PolarHBondContact O-N 2.87Å; I78-E81 CarbonylContact O-C 3.54Å; I78-E81 WeakPolarHBondContact O-CB 3.36Å; I78-E81 PolarHBondContact O-N 3.16Å; I78-E81 VanDerWaalsContact O-N 3.15Å; T79-E81 VanDerWaalsContact C-N 3.34Å; E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 2.87Å; E81-H84 PolarHBondContact O-N 3.33Å; E81-H84 VanDerWaalsContact O-N 3.16Å; E81-R85 WeakPolarHBondContact O-CB 3.25Å; E81-R85 PolarHBondContact O-N 3.02Å
82V97.8Very high97.1Very high10 Ų1061.2 Ų61.26%0.06130%0.295CS..Hα-helixtrans-59.1-45.8172.1168.70000110.8M1 I78 T79 H84 R85 F86 F116 L117 I122M1-V82 HydrophobicContact CE-CG1 4.13Å; I78-V82 WeakPolarHBondContact O-CG2 3.49Å; I78-V82 PolarHBondContact O-N 3.37Å; T79-V82 WeakPolarHBondContact O-CB 3.36Å; T79-V82 PolarHBondContact O-N 3.05Å; V82-H84 VanDerWaalsContact C-N 3.33Å; V82-H84 PolarHBondContact O-N 2.94Å; V82-R85 PolarHBondContact O-N 2.63Å; V82-F86 PolarHBondContact O-N 3.17Å; V82-F116 HydrophobicContact CG1-CE1 3.75Å; V82-F116 HydrophobicContact CG1-CZ 4.03Å; V82-F116 WeakPolarHBondContact O-CE1 3.48Å; V82-L117 HydrophobicContact CG1-CD1 3.95Å; V82-L117 HydrophobicContact CG1-CD2 4.01Å; V82-L117 HydrophobicContact CG1-CG 4.46Å; V82-I122 HydrophobicContact CG2-CD1 3.43Å; V82-I122 VanDerWaalsContact CG2-CD1 3.43Å; V82-I122 HydrophobicContact CG2-CG1 3.78Å
83I98.2Very high97.2Very high0 Ų057.5 Ų57.50%028%0.276CS..Hα-helixtrans-59.4-46.2174.4-68.7171000110.5M4 V57 K59 Y61 F66 C68 T79 L80 E81 F86 V87M4-I83 HydrophobicContact CE-CG1 4.46Å; V57-I83 HydrophobicContact CG1-CD1 4.12Å; K59-I83 HydrophobicContact CB-CG2 4.17Å; Y61-I83 HydrophobicContact CE2-CG2 3.89Å; F66-I83 HydrophobicContact CB-CD1 4.49Å; F66-I83 HydrophobicContact CB-CG1 4.49Å; F66-I83 HydrophobicContact CB-CG2 3.44Å; F66-I83 VanDerWaalsContact CB-CG2 3.44Å; F66-I83 HydrophobicContact CD1-CG2 4.28Å; F66-I83 HydrophobicContact CG-CG2 3.98Å; C68-I83 HydrophobicContact CB-CD1 4.45Å; T79-I83 WeakPolarHBondContact O-CG1 3.47Å; T79-I83 PolarHBondContact O-N 3.17Å; L80-I83 WeakPolarHBondContact O-CB 3.45Å; L80-I83 PolarHBondContact O-N 3.03Å; E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 2.87Å; I83-F86 PolarHBondContact O-N 2.84Å; I83-V87 WeakPolarHBondContact O-CG2 3.39Å; I83-V87 PolarHBondContact O-N 3.5Å; I83-V87 VanDerWaalsContact O-N 3.09Å
84H97.7Very high97.2Very high73 Ų7353 Ų5334%0.33825%0.254SS..Hα-helixtrans-62.4-45.5-179.7-169.159.2000111.8Y61 L80 E81 V82 F86 V87 E88Y61-H84 AromaticContact CE1-ND1 3.81Å; Y61-H84 AromaticContact CZ-ND1 3.71Å; Y61-H84 WeakPolarHBondContact OH-CA 3.5Å; Y61-H84 PolarHBondContact OH-ND1 2.99Å; L80-H84 PolarHBondContact O-N 3.39Å; E81-H84 PolarHBondContact O-N 3.33Å; E81-H84 VanDerWaalsContact O-N 3.16Å; V82-H84 VanDerWaalsContact C-N 3.33Å; V82-H84 PolarHBondContact O-N 2.94Å; H84-F86 VanDerWaalsContact C-N 3.32Å; H84-F86 PolarHBondContact O-N 3.17Å; H84-V87 WeakPolarHBondContact O-CB 3.49Å; H84-V87 PolarHBondContact O-N 3.25Å; H84-V87 VanDerWaalsContact O-N 3.12Å; H84-E88 PolarHBondContact O-N 3.49Å
85R97.6Very high97Very high74 Ų7453.7 Ų53.728%0.27927%0.27SS..Hα-helixtrans-60.8-40.8177.3179.5546483.511.1112E81 V82 V87 E88 L89 F116 T125E81-R85 WeakPolarHBondContact O-CB 3.25Å; E81-R85 PolarHBondContact O-N 3.02Å; V82-R85 PolarHBondContact O-N 2.63Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 2.89Å; R85-E88 IonicContact NE-OE2 2.87Å; R85-E88 PolarHBondContact NE-OE2 3.41Å; R85-E88 WeakPolarHBondContact O-CB 3.33Å; R85-E88 PolarHBondContact O-N 3.38Å; R85-L89 HydrophobicContact CG-CD1 4.32Å; R85-L89 WeakPolarHBondContact O-CG 3.43Å; R85-L89 PolarHBondContact O-N 2.91Å; R85-F116 HydrophobicContact CB-CE1 4.39Å; R85-F116 HydrophobicContact CB-CE2 4.49Å; R85-F116 HydrophobicContact CB-CZ 3.88Å; R85-F116 HydrophobicContact CG-CE1 4.34Å; R85-F116 HydrophobicContact CG-CE2 3.79Å; R85-F116 HydrophobicContact CG-CZ 3.66Å; R85-T125 PolarHBondContact NH1-O 2.64Å
86F98Very high96.8Very high0 Ų054.7 Ų54.70%028%0.283CS..Hα-helixtrans-62.7-41175.6-177.7-125.9000111.8M4 L6 F66 V82 I83 H84 E88 L89 L90 I112 L113 F116M4-F86 HydrophobicContact CE-CD1 3.47Å; M4-F86 VanDerWaalsContact CE-CD1 3.47Å; M4-F86 HydrophobicContact CE-CE1 4Å; M4-F86 HydrophobicContact CE-CG 4.28Å; M4-F86 HydrophobicContact SD-CD1 4.42Å; L6-F86 HydrophobicContact CD1-CE1 4.33Å; L6-F86 HydrophobicContact CD2-CE1 4.19Å; F66-F86 HydrophobicContact CD1-CD1 4.1Å; F66-F86 AromaticContact CE1-CD1 3.8Å; F66-F86 HydrophobicContact CE1-CD1 3.8Å; F66-F86 HydrophobicContact CE1-CE1 4Å; V82-F86 PolarHBondContact O-N 3.17Å; I83-F86 PolarHBondContact O-N 2.84Å; H84-F86 VanDerWaalsContact C-N 3.32Å; H84-F86 PolarHBondContact O-N 3.17Å; F86-E88 PolarHBondContact O-N 3.18Å; F86-L89 WeakPolarHBondContact O-CB 3.49Å; F86-L89 PolarHBondContact O-N 3.23Å; F86-L90 HydrophobicContact CD1-CD1 3.98Å; F86-L90 HydrophobicContact CD2-CG 4.41Å; F86-L90 HydrophobicContact CE1-CD1 3.65Å; F86-L90 HydrophobicContact CE1-CG 4.35Å; F86-L90 HydrophobicContact CE2-CD1 4.25Å; F86-L90 HydrophobicContact CE2-CD2 4.17Å; F86-L90 HydrophobicContact CE2-CG 4.06Å; F86-L90 HydrophobicContact CG-CD1 4.45Å; F86-L90 HydrophobicContact CZ-CD1 3.79Å; F86-L90 HydrophobicContact CZ-CD2 4.04Å; F86-L90 HydrophobicContact CZ-CG 4.03Å; F86-L90 WeakPolarHBondContact O-CG 3.32Å; F86-L90 PolarHBondContact O-N 3.1Å; F86-I112 HydrophobicContact CD2-CG2 4.37Å; F86-I112 HydrophobicContact CE2-CB 4.38Å; F86-I112 HydrophobicContact CE2-CG2 3.96Å; F86-L113 HydrophobicContact CD1-CD1 4.34Å; F86-L113 HydrophobicContact CD2-CD1 3.93Å; F86-L113 HydrophobicContact CE1-CD1 4.18Å; F86-L113 HydrophobicContact CE2-CB 3.68Å; F86-L113 HydrophobicContact CE2-CD1 3.79Å; F86-L113 HydrophobicContact CE2-CG 4.34Å; F86-L113 HydrophobicContact CG-CD1 4.22Å; F86-L113 HydrophobicContact CZ-CB 3.82Å; F86-L113 HydrophobicContact CZ-CD1 3.92Å; F86-L113 HydrophobicContact CZ-CG 4.33Å; F86-F116 HydrophobicContact CB-CD1 4.14Å; F86-F116 HydrophobicContact CB-CE1 4.04Å; F86-F116 HydrophobicContact CD2-CD1 4.31Å
87V97.5Very high96.6Very high22 Ų2254 Ų5413%0.13328%0.282CS..Hα-helixtrans-62.7-41.2173.9174.50000111.7Y61 F66 I83 H84 R85 L89 L90 D91Y61-V87 HydrophobicContact CD1-CG1 4.06Å; Y61-V87 HydrophobicContact CD2-CG2 3.79Å; Y61-V87 HydrophobicContact CE1-CG1 4.25Å; Y61-V87 HydrophobicContact CE2-CG2 3.79Å; Y61-V87 HydrophobicContact CG-CG1 4.3Å; Y61-V87 HydrophobicContact CG-CG2 4.16Å; F66-V87 HydrophobicContact CD1-CG2 4.09Å; F66-V87 HydrophobicContact CD2-CG2 4.25Å; F66-V87 HydrophobicContact CE1-CG2 3.67Å; F66-V87 HydrophobicContact CE2-CG2 3.87Å; F66-V87 HydrophobicContact CG-CG2 4.38Å; F66-V87 HydrophobicContact CZ-CG2 3.57Å; I83-V87 WeakPolarHBondContact O-CG2 3.39Å; I83-V87 PolarHBondContact O-N 3.5Å; I83-V87 VanDerWaalsContact O-N 3.09Å; H84-V87 WeakPolarHBondContact O-CB 3.49Å; H84-V87 PolarHBondContact O-N 3.25Å; H84-V87 VanDerWaalsContact O-N 3.12Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 2.89Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.78Å; V87-L90 PolarHBondContact O-N 2.84Å; V87-D91 WeakPolarHBondContact O-CB 3.03Å; V87-D91 PolarHBondContact O-N 3.48Å
88E97.2Very high96.5Very high59 Ų5951.4 Ų51.428%0.27627%0.273SS..Hα-helixtrans-63-37.1174.8-66.8-171.598.500113H84 R85 F86 K92 K127H84-E88 PolarHBondContact O-N 3.49Å; R85-E88 IonicContact NE-OE2 2.87Å; R85-E88 PolarHBondContact NE-OE2 3.41Å; R85-E88 WeakPolarHBondContact O-CB 3.33Å; R85-E88 PolarHBondContact O-N 3.38Å; F86-E88 PolarHBondContact O-N 3.18Å; E88-K92 VanDerWaalsContact O-CB 3.26Å; E88-K92 WeakPolarHBondContact O-CB 3.02Å; E88-K92 PolarHBondContact O-N 3.07Å; E88-K127 HydrophobicContact CB-CD 4.04Å; E88-K127 IonicContact OE1-NZ 2.68Å; E88-K127 PolarHBondContact OE1-NZ 3.44Å; E88-K127 IonicContact OE2-NZ 3.41Å
89L97.3Very high96.4Very high0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-65.2-47.8176.7-74.4166.8000110.6R85 F86 V87 D91 K92 Y93 I112 F116 K127 V130 L131R85-L89 HydrophobicContact CG-CD1 4.32Å; R85-L89 WeakPolarHBondContact O-CG 3.43Å; R85-L89 PolarHBondContact O-N 2.91Å; F86-L89 WeakPolarHBondContact O-CB 3.49Å; F86-L89 PolarHBondContact O-N 3.23Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.78Å; L89-D91 PolarHBondContact O-N 3.31Å; L89-K92 PolarHBondContact O-N 3.19Å; L89-Y93 WeakPolarHBondContact O-CB 3.35Å; L89-Y93 PolarHBondContact O-N 3.09Å; L89-I112 HydrophobicContact CB-CG2 3.86Å; L89-F116 HydrophobicContact CD1-CB 3.87Å; L89-F116 HydrophobicContact CD1-CD1 4.06Å; L89-F116 HydrophobicContact CD1-CD2 4.02Å; L89-F116 HydrophobicContact CD1-CG 3.71Å; L89-K127 HydrophobicContact CD2-CG 3.8Å; L89-V130 HydrophobicContact CD1-CG1 3.96Å; L89-V130 HydrophobicContact CD2-CB 3.9Å; L89-V130 HydrophobicContact CD2-CG1 3.74Å; L89-L131 HydrophobicContact CD2-CD1 4.5Å; L89-L131 HydrophobicContact CD2-CD2 4.17Å; L89-L131 HydrophobicContact CD2-CG 3.9Å
90L97.4Very high96.2Very high1 Ų152.9 Ų52.91%0.00528%0.28CS..Hα-helixtrans-58.7-46.7174.7-69.1170.2000111.4F66 F86 V87 K92 Y93 F94 V97 I102 A109 I112F66-L90 HydrophobicContact CE1-CD1 4.14Å; F66-L90 HydrophobicContact CZ-CD1 4.29Å; F86-L90 HydrophobicContact CD1-CD1 3.98Å; F86-L90 HydrophobicContact CD2-CG 4.41Å; F86-L90 HydrophobicContact CE1-CD1 3.65Å; F86-L90 HydrophobicContact CE1-CG 4.35Å; F86-L90 HydrophobicContact CE2-CD1 4.25Å; F86-L90 HydrophobicContact CE2-CD2 4.17Å; F86-L90 HydrophobicContact CE2-CG 4.06Å; F86-L90 HydrophobicContact CG-CD1 4.45Å; F86-L90 HydrophobicContact CZ-CD1 3.79Å; F86-L90 HydrophobicContact CZ-CD2 4.04Å; F86-L90 HydrophobicContact CZ-CG 4.03Å; F86-L90 WeakPolarHBondContact O-CG 3.32Å; F86-L90 PolarHBondContact O-N 3.1Å; V87-L90 PolarHBondContact O-N 2.84Å; L90-K92 VanDerWaalsContact C-N 3.32Å; L90-K92 PolarHBondContact O-N 3.37Å; L90-Y93 PolarHBondContact O-N 3.32Å; L90-F94 HydrophobicContact CB-CD2 4.48Å; L90-F94 HydrophobicContact CD2-CD2 4.36Å; L90-F94 HydrophobicContact CD2-CE2 3.87Å; L90-F94 WeakPolarHBondContact O-CD2 3.08Å; L90-F94 PolarHBondContact O-N 2.88Å; L90-V97 HydrophobicContact CB-CG1 4.29Å; L90-V97 HydrophobicContact CB-CG2 4.24Å; L90-I102 HydrophobicContact CD1-CD1 4.25Å; L90-A109 HydrophobicContact CD2-CB 4.12Å; L90-I112 HydrophobicContact CD2-CD1 3.88Å; L90-I112 HydrophobicContact CD2-CG2 4.5Å
91D96.6Very high96.1Very high74 Ų7453.3 Ų53.340%0.39628%0.282SS..Hα-helixtrans-62.3-40.1179.8-173.163000112.4V87 L89 G95 S96 V97V87-D91 WeakPolarHBondContact O-CB 3.03Å; V87-D91 PolarHBondContact O-N 3.48Å; L89-D91 PolarHBondContact O-N 3.31Å; D91-G95 VanDerWaalsContact O-CA 3.29Å; D91-G95 WeakPolarHBondContact O-CA 3.22Å; D91-G95 PolarHBondContact O-N 3.06Å; D91-S96 PolarHBondContact O-N 2.94Å; D91-S96 VanDerWaalsContact OD1-CA 3.23Å; D91-S96 WeakPolarHBondContact OD1-CA 3.43Å; D91-S96 PolarHBondContact OD1-N 3.42Å; D91-V97 HydrophobicContact CB-CG1 3.82Å; D91-V97 PolarHBondContact OD1-N 3.48Å
92K96.1Very high96.1Very high143 Ų14347.7 Ų47.762%0.62226%0.256SS*.Hα-helixtrans-73-33.2179.4-172.755.9179173.70112.8E88 L89 L90 L131E88-K92 VanDerWaalsContact O-CB 3.26Å; E88-K92 WeakPolarHBondContact O-CB 3.02Å; E88-K92 PolarHBondContact O-N 3.07Å; L89-K92 PolarHBondContact O-N 3.19Å; L90-K92 VanDerWaalsContact C-N 3.32Å; L90-K92 PolarHBondContact O-N 3.37Å; K92-L131 HydrophobicContact CB-CD1 3.94Å; K92-L131 HydrophobicContact CB-CD2 4.23Å; K92-L131 HydrophobicContact CG-CD1 3.33Å; K92-L131 HydrophobicContact CG-CD2 4.19Å; K92-L131 HydrophobicContact CG-CG 4.41Å
93Y96Very high96Very high68 Ų6849.8 Ų49.827%0.26727%0.267SS..Hα-helixtrans-73.5-52.5177-178-94.8000111.9L89 L90 K108 I112 I134 D138L89-Y93 WeakPolarHBondContact O-CB 3.35Å; L89-Y93 PolarHBondContact O-N 3.09Å; L90-Y93 PolarHBondContact O-N 3.32Å; Y93-K108 HydrophobicContact CE1-CB 4.09Å; Y93-K108 HydrophobicContact CE1-CG 4.48Å; Y93-I112 HydrophobicContact CD1-CD1 3.56Å; Y93-I112 HydrophobicContact CD2-CD1 4.25Å; Y93-I112 HydrophobicContact CE1-CD1 4.09Å; Y93-I112 HydrophobicContact CG-CD1 3.63Å; Y93-I112 HydrophobicContact CG-CG1 4.39Å; Y93-I134 HydrophobicContact CD2-CG2 3.85Å; Y93-I134 HydrophobicContact CE2-CG2 3.47Å; Y93-I134 VanDerWaalsContact CE2-CG2 3.47Å; Y93-D138 VanDerWaalsContact CE2-OD2 3.23Å; Y93-D138 WeakPolarHBondContact CE2-OD2 3.43Å; Y93-D138 PolarHBondContact OH-OD2 3.49Å
94F94.9Very high95.9Very high45 Ų4556.8 Ų56.820%0.19730%0.297CS..Hα-helixtrans-81.1-21.1-177-70-68.7000114L90 V97 D101 N105 K108 I112L90-F94 HydrophobicContact CB-CD2 4.48Å; L90-F94 HydrophobicContact CD2-CD2 4.36Å; L90-F94 HydrophobicContact CD2-CE2 3.87Å; L90-F94 WeakPolarHBondContact O-CD2 3.08Å; L90-F94 PolarHBondContact O-N 2.88Å; F94-V97 HydrophobicContact CB-CB 4.1Å; F94-V97 HydrophobicContact CB-CG2 4.18Å; F94-V97 HydrophobicContact CD2-CB 4.39Å; F94-V97 HydrophobicContact CD2-CG2 3.75Å; F94-V97 HydrophobicContact CG-CG2 4.25Å; F94-D101 HydrophobicContact CB-CB 4.42Å; F94-D101 HydrophobicContact CD1-CB 3.93Å; F94-D101 HydrophobicContact CD2-CB 4.46Å; F94-D101 HydrophobicContact CE1-CB 4.31Å; F94-D101 HydrophobicContact CG-CB 4.02Å; F94-N105 HydrophobicContact CE1-CB 3.75Å; F94-N105 HydrophobicContact CZ-CB 3.94Å; F94-K108 HydrophobicContact CZ-CB 4.25Å; F94-I112 HydrophobicContact CE2-CD1 4.13Å
95G92Very high95.7Very high52 Ų5256.1 Ų56.154%0.53630%0.296SS..THydrogen-bonded Turntrans72.981.7-178.600000112.7D91D91-G95 VanDerWaalsContact O-CA 3.29Å; D91-G95 WeakPolarHBondContact O-CA 3.22Å; D91-G95 PolarHBondContact O-N 3.06Å
96S91.3Very high95.6Very high101 Ų10157.9 Ų57.971%0.70631%0.306SS*.SBendtrans72.663.7-169.9-47.40000112.5D91 C98D91-S96 PolarHBondContact O-N 2.94Å; D91-S96 VanDerWaalsContact OD1-CA 3.23Å; D91-S96 WeakPolarHBondContact OD1-CA 3.43Å; D91-S96 PolarHBondContact OD1-N 3.42Å; S96-C98 PolarHBondContact O-N 3.32Å
97V94.6Very high95.5Very high36 Ų3661 Ų6122%0.21832%0.321CS..  trans-60.6136.4-172660000112.5L90 D91 F94 D101 I102L90-V97 HydrophobicContact CB-CG1 4.29Å; L90-V97 HydrophobicContact CB-CG2 4.24Å; D91-V97 HydrophobicContact CB-CG1 3.82Å; D91-V97 PolarHBondContact OD1-N 3.48Å; F94-V97 HydrophobicContact CB-CB 4.1Å; F94-V97 HydrophobicContact CB-CG2 4.18Å; F94-V97 HydrophobicContact CD2-CB 4.39Å; F94-V97 HydrophobicContact CD2-CG2 3.75Å; F94-V97 HydrophobicContact CG-CG2 4.25Å; V97-D101 HydrophobicContact CG2-CB 4.36Å; V97-I102 HydrophobicContact CG2-CD1 4.31Å; V97-I102 HydrophobicContact CG2-CG1 4.27Å
98C94.6Very high95.3Very high57 Ų5761.6 Ų61.639%0.38532%0.321SS..  trans-123.7170.9170.379.60000112.1S96 L100 D101S96-C98 PolarHBondContact O-N 3.32Å; C98-L100 PolarHBondContact O-N 2.96Å; C98-D101 PolarHBondContact N-OD2 2.85Å; C98-D101 PolarHBondContact O-N 3.18Å; C98-D101 VanDerWaalsContact SG-CG 3.56Å; C98-D101 PolarHBondContact SG-OD2 3.28Å
99E95Very high95.3Very high36 Ų3658.8 Ų58.817%0.16831%0.308CS..Hα-helixtrans-61.1-31.8178.8173.1173.8178.500112.6S8 R14 S63 L64 I102 I103S8-E99 WeakPolarHBondContact CB-OE1 3.24Å; R14-E99 IonicContact CZ-OE1 2.69Å; R14-E99 VanDerWaalsContact CZ-OE1 3.24Å; R14-E99 IonicContact NE-OE1 3.15Å; R14-E99 PolarHBondContact NE-OE1 3.29Å; R14-E99 IonicContact NH2-OE1 2.74Å; R14-E99 PolarHBondContact NH2-OE1 3.31Å; S63-E99 WeakPolarHBondContact CB-OE2 3.42Å; S63-E99 PolarHBondContact OG-OE2 2.97Å; L64-E99 HydrophobicContact CD1-CB 3.97Å; L64-E99 HydrophobicContact CD1-CG 4.32Å; L64-E99 HydrophobicContact CD2-CB 4.29Å; L64-E99 HydrophobicContact CD2-CG 3.84Å; L64-E99 HydrophobicContact CG-CB 4Å; L64-E99 HydrophobicContact CG-CG 4.13Å; E99-I102 PolarHBondContact O-N 2.91Å; E99-I103 HydrophobicContact CG-CD1 3.81Å; E99-I103 HydrophobicContact CG-CG1 4.4Å; E99-I103 WeakPolarHBondContact O-CD1 3.46Å; E99-I103 VanDerWaalsContact O-CG1 3.28Å; E99-I103 WeakPolarHBondContact O-CG1 3.48Å; E99-I103 PolarHBondContact O-N 2.87Å; E99-I103 VanDerWaalsContact O-N 3.13Å
100L95.8Very high95.3Very high102 Ų10261.5 Ų61.553%0.53432%0.319SS..Hα-helixtrans-66.9-37.9179-68.2172.3000111.6C98 I102 I103 F104C98-L100 PolarHBondContact O-N 2.96Å; L100-I102 VanDerWaalsContact C-N 3.26Å; L100-I102 PolarHBondContact O-N 3.49Å; L100-I103 HydrophobicContact CD2-CD1 4.26Å; L100-I103 WeakPolarHBondContact O-CB 3.28Å; L100-I103 PolarHBondContact O-N 2.92Å; L100-F104 HydrophobicContact CB-CD2 4.23Å; L100-F104 HydrophobicContact CB-CE2 4.28Å; L100-F104 HydrophobicContact CD2-CE2 4.23Å; L100-F104 WeakPolarHBondContact O-CD2 3.33Å; L100-F104 PolarHBondContact O-N 3.47Å
101D96.2Very high95.3Very high45 Ų4566.3 Ų66.324%0.24134%0.34CS..Hα-helixtrans-60.4-40.4178.9-54.6-40.5000111.2F94 V97 C98 N105F94-D101 HydrophobicContact CB-CB 4.42Å; F94-D101 HydrophobicContact CD1-CB 3.93Å; F94-D101 HydrophobicContact CD2-CB 4.46Å; F94-D101 HydrophobicContact CE1-CB 4.31Å; F94-D101 HydrophobicContact CG-CB 4.02Å; V97-D101 HydrophobicContact CG2-CB 4.36Å; C98-D101 PolarHBondContact N-OD2 2.85Å; C98-D101 PolarHBondContact O-N 3.18Å; C98-D101 VanDerWaalsContact SG-CG 3.56Å; C98-D101 PolarHBondContact SG-OD2 3.28Å; D101-N105 WeakPolarHBondContact O-CB 3.23Å; D101-N105 PolarHBondContact O-N 3.19Å; D101-N105 PolarHBondContact O-ND2 3.38Å
102I96Very high95.3Very high3 Ų362.8 Ų62.82%0.01532%0.321CS..Hα-helixtrans-70-32.1175.9-63.1165.9000111.6R14 L64 L90 V97 E99 L100 F106 A109R14-I102 HydrophobicContact CB-CG2 4.2Å; L64-I102 HydrophobicContact CD1-CD1 3.58Å; L90-I102 HydrophobicContact CD1-CD1 4.25Å; V97-I102 HydrophobicContact CG2-CD1 4.31Å; V97-I102 HydrophobicContact CG2-CG1 4.27Å; E99-I102 PolarHBondContact O-N 2.91Å; L100-I102 VanDerWaalsContact C-N 3.26Å; L100-I102 PolarHBondContact O-N 3.49Å; I102-F106 WeakPolarHBondContact O-CA 3.29Å; I102-F106 WeakPolarHBondContact O-CB 3.35Å; I102-F106 PolarHBondContact O-N 2.78Å; I102-A109 HydrophobicContact CG2-CB 4.37Å
103I95.8Very high95.4Very high55 Ų5556 Ų5628%0.28229%0.292SS..Hα-helixtrans-71-43.2177.4-70.3163.7000111E99 L100E99-I103 HydrophobicContact CG-CD1 3.81Å; E99-I103 HydrophobicContact CG-CG1 4.4Å; E99-I103 WeakPolarHBondContact O-CD1 3.46Å; E99-I103 VanDerWaalsContact O-CG1 3.28Å; E99-I103 WeakPolarHBondContact O-CG1 3.48Å; E99-I103 PolarHBondContact O-N 2.87Å; E99-I103 VanDerWaalsContact O-N 3.13Å; L100-I103 HydrophobicContact CD2-CD1 4.26Å; L100-I103 WeakPolarHBondContact O-CB 3.28Å; L100-I103 PolarHBondContact O-N 2.92Å
104F95.8Very high95.4Very high146 Ų14655.4 Ų55.464%0.6429%0.293SS*.Hα-helixtrans-80-32.6-176.7-75.5-67.2000112.8L100L100-F104 HydrophobicContact CB-CD2 4.23Å; L100-F104 HydrophobicContact CB-CE2 4.28Å; L100-F104 HydrophobicContact CD2-CE2 4.23Å; L100-F104 WeakPolarHBondContact O-CD2 3.33Å; L100-F104 PolarHBondContact O-N 3.47Å
105N95.2Very high95.5Very high59 Ų5956.2 Ų56.232%0.31630%0.297SS..SBendtrans-120.151.9-178.1-46.1-79.5000110.3F94 D101 E107 K108 A109F94-N105 HydrophobicContact CE1-CB 3.75Å; F94-N105 HydrophobicContact CZ-CB 3.94Å; D101-N105 WeakPolarHBondContact O-CB 3.23Å; D101-N105 PolarHBondContact O-N 3.19Å; D101-N105 PolarHBondContact O-ND2 3.38Å; N105-E107 VanDerWaalsContact C-N 3.27Å; N105-E107 WeakPolarHBondContact CA-OE1 3.35Å; N105-E107 PolarHBondContact O-N 3.22Å; N105-K108 HydrophobicContact CB-CB 4.19Å; N105-K108 HydrophobicContact CB-CG 4.23Å; N105-K108 PolarHBondContact O-N 3.27Å; N105-A109 PolarHBondContact O-N 2.63Å; N105-A109 VanDerWaalsContact O-N 3.16Å
106F94.7Very high95.7Very high112 Ų11253.9 Ų53.949%0.49127%0.273SS..Hα-helixtrans-65.4-35.6-173.971-89.8000111.1I102 A109 Y110I102-F106 WeakPolarHBondContact O-CA 3.29Å; I102-F106 WeakPolarHBondContact O-CB 3.35Å; I102-F106 PolarHBondContact O-N 2.78Å; F106-A109 WeakPolarHBondContact O-CB 3.36Å; F106-A109 PolarHBondContact O-N 3.25Å; F106-Y110 HydrophobicContact CD2-CD2 4.14Å; F106-Y110 HydrophobicContact CD2-CE2 4.06Å; F106-Y110 WeakPolarHBondContact O-CD2 3.44Å; F106-Y110 PolarHBondContact O-N 3.36Å
107E94.8Very high96Very high65 Ų6549.2 Ų49.230%0.30424%0.24SC..Hα-helixtrans-60-45.3174.964-67.4157.200111.8N105 A109 Y110 F111N105-E107 VanDerWaalsContact C-N 3.27Å; N105-E107 WeakPolarHBondContact CA-OE1 3.35Å; N105-E107 PolarHBondContact O-N 3.22Å; E107-A109 VanDerWaalsContact C-N 3.29Å; E107-A109 PolarHBondContact O-N 3.15Å; E107-Y110 WeakPolarHBondContact O-CA 3.04Å; E107-Y110 WeakPolarHBondContact O-CB 3.19Å; E107-Y110 PolarHBondContact O-N 3.38Å; E107-F111 HydrophobicContact CB-CZ 4.39Å; E107-F111 WeakPolarHBondContact O-CG 3.36Å; E107-F111 PolarHBondContact O-N 3.02Å
108K95.1Very high96.1Very high35 Ų3553.3 Ų53.315%0.15226%0.258CS..Hα-helixtrans-62.7-38.4175.1-61.6-58.1-169.5177.50111.2Y93 F94 N105 Y110 F111 I112 D138Y93-K108 HydrophobicContact CE1-CB 4.09Å; Y93-K108 HydrophobicContact CE1-CG 4.48Å; F94-K108 HydrophobicContact CZ-CB 4.25Å; N105-K108 HydrophobicContact CB-CB 4.19Å; N105-K108 HydrophobicContact CB-CG 4.23Å; N105-K108 PolarHBondContact O-N 3.27Å; K108-Y110 VanDerWaalsContact C-N 3.3Å; K108-Y110 PolarHBondContact O-N 2.99Å; K108-F111 HydrophobicContact CD-CD2 3.86Å; K108-F111 HydrophobicContact CD-CE2 4.24Å; K108-F111 PolarHBondContact O-N 3.21Å; K108-I112 WeakPolarHBondContact O-CD1 3.28Å; K108-I112 WeakPolarHBondContact O-CG1 3.49Å; K108-I112 PolarHBondContact O-N 3.49Å; K108-D138 IonicContact NZ-OD1 3.99Å; K108-D138 PolarHBondContact NZ-OD1 3.47Å
109A97.1Very high96.1Very high0 Ų053.5 Ų53.50%027%0.27CS..Hα-helixtrans-62.7-34.6173.400000112.9L15 L90 I102 N105 F106 E107 L113L15-A109 HydrophobicContact CD1-CB 4.09Å; L90-A109 HydrophobicContact CD2-CB 4.12Å; I102-A109 HydrophobicContact CG2-CB 4.37Å; N105-A109 PolarHBondContact O-N 2.63Å; N105-A109 VanDerWaalsContact O-N 3.16Å; F106-A109 WeakPolarHBondContact O-CB 3.36Å; F106-A109 PolarHBondContact O-N 3.25Å; E107-A109 VanDerWaalsContact C-N 3.29Å; E107-A109 PolarHBondContact O-N 3.15Å; A109-L113 WeakPolarHBondContact O-CB 3.47Å; A109-L113 PolarHBondContact O-N 3.17Å; A109-L113 VanDerWaalsContact O-N 3.11Å
110Y97.3Very high96.1Very high57 Ų5751.9 Ų51.922%0.22426%0.263CS..Hα-helixtrans-68.9-41.1171.1-80.5-79.2000112.2L15 Q16 K17 F106 E107 K108 L113 D114L15-Y110 HydrophobicContact CD1-CD1 4.25Å; L15-Y110 HydrophobicContact CD1-CD2 4.33Å; L15-Y110 HydrophobicContact CD1-CE1 4.27Å; L15-Y110 HydrophobicContact CD1-CE2 4.33Å; L15-Y110 HydrophobicContact CD1-CG 4.28Å; L15-Y110 HydrophobicContact CD2-CE1 4.01Å; L15-Y110 HydrophobicContact CG-CD1 4.21Å; L15-Y110 HydrophobicContact CG-CE1 3.73Å; L15-Y110 HydrophobicContact CG-CE2 4.03Å; Q16-Y110 PolarHBondContact N-OH 2.89Å; Q16-Y110 PolarHBondContact O-OH 3.26Å; K17-Y110 HydrophobicContact CD-CD1 4.3Å; K17-Y110 HydrophobicContact CD-CE1 4.42Å; F106-Y110 HydrophobicContact CD2-CD2 4.14Å; F106-Y110 HydrophobicContact CD2-CE2 4.06Å; F106-Y110 WeakPolarHBondContact O-CD2 3.44Å; F106-Y110 PolarHBondContact O-N 3.36Å; E107-Y110 WeakPolarHBondContact O-CA 3.04Å; E107-Y110 WeakPolarHBondContact O-CB 3.19Å; E107-Y110 PolarHBondContact O-N 3.38Å; K108-Y110 VanDerWaalsContact C-N 3.3Å; K108-Y110 PolarHBondContact O-N 2.99Å; Y110-L113 WeakPolarHBondContact O-CB 3.21Å; Y110-L113 PolarHBondContact O-N 2.77Å; Y110-D114 WeakPolarHBondContact O-CB 3.34Å; Y110-D114 VanDerWaalsContact O-CG 3.23Å; Y110-D114 PolarHBondContact O-N 3.13Å
111F96.4Very high96.1Very high102 Ų10252.4 Ų52.445%0.44726%0.262SS..Hα-helixtrans-63.4-44.2177.8-59.6-22.3000111.9E107 K108 L113 D114 E115E107-F111 HydrophobicContact CB-CZ 4.39Å; E107-F111 WeakPolarHBondContact O-CG 3.36Å; E107-F111 PolarHBondContact O-N 3.02Å; K108-F111 HydrophobicContact CD-CD2 3.86Å; K108-F111 HydrophobicContact CD-CE2 4.24Å; K108-F111 PolarHBondContact O-N 3.21Å; F111-L113 VanDerWaalsContact C-N 3.28Å; F111-L113 PolarHBondContact O-N 3.25Å; F111-D114 PolarHBondContact O-N 3.44Å; F111-E115 PolarHBondContact O-N 2.75Å
112I96.9Very high96.1Very high0 Ų053.6 Ų53.60%027%0.268CS..Hα-helixtrans-60.4-41.5174.5-61.9161.4000110.7F86 L89 L90 Y93 F94 K108 D114 F116 I134F86-I112 HydrophobicContact CD2-CG2 4.37Å; F86-I112 HydrophobicContact CE2-CB 4.38Å; F86-I112 HydrophobicContact CE2-CG2 3.96Å; L89-I112 HydrophobicContact CB-CG2 3.86Å; L90-I112 HydrophobicContact CD2-CD1 3.88Å; L90-I112 HydrophobicContact CD2-CG2 4.5Å; Y93-I112 HydrophobicContact CD1-CD1 3.56Å; Y93-I112 HydrophobicContact CD2-CD1 4.25Å; Y93-I112 HydrophobicContact CE1-CD1 4.09Å; Y93-I112 HydrophobicContact CG-CD1 3.63Å; Y93-I112 HydrophobicContact CG-CG1 4.39Å; F94-I112 HydrophobicContact CE2-CD1 4.13Å; K108-I112 WeakPolarHBondContact O-CD1 3.28Å; K108-I112 WeakPolarHBondContact O-CG1 3.49Å; K108-I112 PolarHBondContact O-N 3.49Å; I112-D114 VanDerWaalsContact C-N 3.34Å; I112-F116 WeakPolarHBondContact O-CB 3.29Å; I112-F116 PolarHBondContact O-N 3.12Å; I112-I134 HydrophobicContact CB-CD1 4.08Å; I112-I134 HydrophobicContact CG1-CD1 3.79Å; I112-I134 HydrophobicContact CG1-CG1 4.44Å; I112-I134 HydrophobicContact CG1-CG2 4.36Å; I112-I134 HydrophobicContact CG2-CD1 3.98Å
113L97.6Very high96.1Very high0 Ų057.7 Ų57.70%029%0.287CS..Hα-helixtrans-65.5-39.8178.1-175.662.1000111.6M4 L15 K17 F86 A109 Y110 F111 F116 L117M4-L113 HydrophobicContact SD-CD1 3.79Å; M4-L113 HydrophobicContact SD-CD2 4.43Å; L15-L113 HydrophobicContact CD1-CD2 4.33Å; L15-L113 HydrophobicContact CD2-CD2 3.66Å; K17-L113 HydrophobicContact CB-CD2 3.67Å; K17-L113 HydrophobicContact CD-CD2 4.49Å; K17-L113 HydrophobicContact CG-CD2 3.99Å; F86-L113 HydrophobicContact CD1-CD1 4.34Å; F86-L113 HydrophobicContact CD2-CD1 3.93Å; F86-L113 HydrophobicContact CE1-CD1 4.18Å; F86-L113 HydrophobicContact CE2-CB 3.68Å; F86-L113 HydrophobicContact CE2-CD1 3.79Å; F86-L113 HydrophobicContact CE2-CG 4.34Å; F86-L113 HydrophobicContact CG-CD1 4.22Å; F86-L113 HydrophobicContact CZ-CB 3.82Å; F86-L113 HydrophobicContact CZ-CD1 3.92Å; F86-L113 HydrophobicContact CZ-CG 4.33Å; A109-L113 WeakPolarHBondContact O-CB 3.47Å; A109-L113 PolarHBondContact O-N 3.17Å; A109-L113 VanDerWaalsContact O-N 3.11Å; Y110-L113 WeakPolarHBondContact O-CB 3.21Å; Y110-L113 PolarHBondContact O-N 2.77Å; F111-L113 VanDerWaalsContact C-N 3.28Å; F111-L113 PolarHBondContact O-N 3.25Å; L113-F116 PolarHBondContact O-N 3.28Å; L113-L117 HydrophobicContact CD1-CB 4.48Å; L113-L117 HydrophobicContact CD1-CD1 3.84Å; L113-L117 HydrophobicContact CD1-CG 4.34Å; L113-L117 PolarHBondContact O-N 2.88Å
114D96.8Very high96Very high55 Ų5556.8 Ų56.829%0.29428%0.283SS..Hα-helixtrans-74.9-30.2-176.8-73.4-3.6000112.4K17 Y110 F111 I112 F116K17-D114 WeakPolarHBondContact CE-OD1 3.35Å; K17-D114 IonicContact NZ-OD1 2.78Å; K17-D114 PolarHBondContact NZ-OD1 3.3Å; K17-D114 IonicContact NZ-OD2 3.73Å; K17-D114 PolarHBondContact NZ-OD2 2.89Å; Y110-D114 WeakPolarHBondContact O-CB 3.34Å; Y110-D114 VanDerWaalsContact O-CG 3.23Å; Y110-D114 PolarHBondContact O-N 3.13Å; F111-D114 PolarHBondContact O-N 3.44Å; I112-D114 VanDerWaalsContact C-N 3.34Å; D114-F116 VanDerWaalsContact C-N 3.27Å
115E96.4Very high95.9Very high62 Ų6255 Ų5529%0.2928%0.284SS..Hα-helixtrans-72.7-23.9171.4-165.657.1-145.200112.1F111 V130 A133 I134F111-E115 PolarHBondContact O-N 2.75Å; E115-V130 HydrophobicContact CB-CG1 4.11Å; E115-V130 HydrophobicContact CG-CG1 3.97Å; E115-A133 HydrophobicContact CG-CB 3.83Å; E115-A133 WeakPolarHBondContact OE1-CB 3.21Å; E115-I134 HydrophobicContact CB-CG1 4.08Å; E115-I134 HydrophobicContact CG-CG1 4.17Å
116F97.5Very high95.9Very high4 Ų454.7 Ų54.72%0.01829%0.286CS..Hα-helixtrans-91.6-42.5179.4176.8-133.9000113.3V82 R85 F86 L89 I112 L113 D114 I122 Q123 D124 V130V82-F116 HydrophobicContact CG1-CE1 3.75Å; V82-F116 HydrophobicContact CG1-CZ 4.03Å; V82-F116 WeakPolarHBondContact O-CE1 3.48Å; R85-F116 HydrophobicContact CB-CE1 4.39Å; R85-F116 HydrophobicContact CB-CE2 4.49Å; R85-F116 HydrophobicContact CB-CZ 3.88Å; R85-F116 HydrophobicContact CG-CE1 4.34Å; R85-F116 HydrophobicContact CG-CE2 3.79Å; R85-F116 HydrophobicContact CG-CZ 3.66Å; F86-F116 HydrophobicContact CB-CD1 4.14Å; F86-F116 HydrophobicContact CB-CE1 4.04Å; F86-F116 HydrophobicContact CD2-CD1 4.31Å; L89-F116 HydrophobicContact CD1-CB 3.87Å; L89-F116 HydrophobicContact CD1-CD1 4.06Å; L89-F116 HydrophobicContact CD1-CD2 4.02Å; L89-F116 HydrophobicContact CD1-CG 3.71Å; I112-F116 WeakPolarHBondContact O-CB 3.29Å; I112-F116 PolarHBondContact O-N 3.12Å; L113-F116 PolarHBondContact O-N 3.28Å; D114-F116 VanDerWaalsContact C-N 3.27Å; F116-I122 HydrophobicContact CE2-CG2 3.98Å; F116-Q123 PolarHBondContact O-N 3.11Å; F116-D124 WeakPolarHBondContact CD2-O 3.4Å; F116-V130 HydrophobicContact CB-CG1 4.36Å
117L96.8Very high95.9Very high3 Ų352.6 Ų52.62%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-126.2127.1-173.7-68.3-177.9000111.4M1 M4 Y19 V82 L113 E121 I122M1-L117 HydrophobicContact CE-CD1 4.25Å; M4-L117 HydrophobicContact SD-CD1 4.48Å; Y19-L117 WeakPolarHBondContact OH-CB 3.34Å; Y19-L117 WeakPolarHBondContact OH-CD1 3.42Å; V82-L117 HydrophobicContact CG1-CD1 3.95Å; V82-L117 HydrophobicContact CG1-CD2 4.01Å; V82-L117 HydrophobicContact CG1-CG 4.46Å; L113-L117 HydrophobicContact CD1-CB 4.48Å; L113-L117 HydrophobicContact CD1-CD1 3.84Å; L113-L117 HydrophobicContact CD1-CG 4.34Å; L113-L117 PolarHBondContact O-N 2.88Å; L117-E121 WeakPolarHBondContact CA-O 3.42Å; L117-E121 WeakPolarHBondContact CD2-O 3.17Å; L117-I122 HydrophobicContact CD2-CB 4.36Å; L117-I122 HydrophobicContact CD2-CG1 3.92Å
118M95.9Very high95.9Very high122 Ų12258 Ų5860%0.60130%0.299SS*.EExtended strand (participates in β ladder)trans-129.7132.7177.1-168.6178.2-74.600110.5G120 E121 Q123M118-G120 PolarHBondContact O-N 3.03Å; M118-E121 PolarHBondContact N-O 3.39Å; M118-E121 PolarHBondContact O-N 3.04Å; M118-Q123 HydrophobicContact CB-CB 4.32Å
119G95.3Very high95.9Very high61 Ų6158.9 Ų58.963%0.62931%0.31SS*.THydrogen-bonded Turntrans61.914.7179.500000115
120G94.7Very high95.9Very high2 Ų259 Ų592%0.02131%0.31CS..THydrogen-bonded Turntrans88.88.9-176.100000114.2M1 Y19 M118M1-G120 WeakPolarHBondContact CB-O 3.4Å; M1-G120 PolarHBondContact N-O 3.04Å; Y19-G120 VanDerWaalsContact CG-N 3.31Å; M118-G120 PolarHBondContact O-N 3.03Å
121E95.3Very high95.7Very high113 Ų11357.8 Ų57.853%0.52831%0.308SS..EExtended strand (participates in β ladder)trans-122.6161.3178.1-60.3-52.9139.600111.2M1 L117 M118 Q123M1-E121 PolarHBondContact N-OE1 3.37Å; L117-E121 WeakPolarHBondContact CA-O 3.42Å; L117-E121 WeakPolarHBondContact CD2-O 3.17Å; M118-E121 PolarHBondContact N-O 3.39Å; M118-E121 PolarHBondContact O-N 3.04Å; E121-Q123 PolarHBondContact O-N 3.22Å
122I96.2Very high95.7Very high70 Ų7058.8 Ų58.836%0.35931%0.312SS..EExtended strand (participates in β ladder)trans-73.2121177.6-55.2170000109.3V82 F116 L117 D124 T125V82-I122 HydrophobicContact CG2-CD1 3.43Å; V82-I122 VanDerWaalsContact CG2-CD1 3.43Å; V82-I122 HydrophobicContact CG2-CG1 3.78Å; F116-I122 HydrophobicContact CE2-CG2 3.98Å; L117-I122 HydrophobicContact CD2-CB 4.36Å; L117-I122 HydrophobicContact CD2-CG1 3.92Å; I122-D124 WeakPolarHBondContact CG2-O 3.23Å; I122-T125 HydrophobicContact CG2-CG2 4.04Å
123Q96.3Very high95.7Very high88 Ų8860 Ų6041%0.41132%0.322SS..SBendtrans-82.8-48.9174.7175.6178.4-29.600111.3F116 M118 E121F116-Q123 PolarHBondContact O-N 3.11Å; M118-Q123 HydrophobicContact CB-CB 4.32Å; E121-Q123 PolarHBondContact O-N 3.22Å
124D93.8Very high95.5Very high37 Ų3760.3 Ų60.320%0.19832%0.323CS..  trans-132.7133.5-177.8-162.5-28.7000110.9F116 I122 S126 S129 V130F116-D124 WeakPolarHBondContact CD2-O 3.4Å; I122-D124 WeakPolarHBondContact CG2-O 3.23Å; D124-S126 WeakPolarHBondContact OD1-CB 3.33Å; D124-S126 PolarHBondContact OD1-N 3.16Å; D124-S129 WeakPolarHBondContact OD2-CB 3.4Å; D124-S129 PolarHBondContact OD2-OG 3Å; D124-V130 HydrophobicContact CB-CG2 3.76Å
125T94.1Very high95.4Very high109 Ų10963.8 Ų63.867%0.66934%0.338SS*.  trans-95.8-9.6-179.559.40000112.7R85 I122R85-T125 PolarHBondContact NH1-O 2.64Å; I122-T125 HydrophobicContact CG2-CG2 4.04Å
126S95.3Very high95.3Very high51 Ų5165.9 Ų65.936%0.35735%0.348SS..  trans-94.6111.8-178.9177.20000111D124 K128 S129 V130D124-S126 WeakPolarHBondContact OD1-CB 3.33Å; D124-S126 PolarHBondContact OD1-N 3.16Å; S126-K128 PolarHBondContact O-N 2.95Å; S126-S129 WeakPolarHBondContact O-CB 3.18Å; S126-S129 PolarHBondContact O-N 3.18Å; S126-S129 PolarHBondContact OG-N 2.91Å; S126-V130 PolarHBondContact O-N 3.38Å
127K93.6Very high95.1Very high69 Ų6968.3 Ų68.330%0.337%0.368SS..Hα-helixtrans-53.7-38.4174.9-175.8164.666.1-176.30112.4E88 L89 L131E88-K127 HydrophobicContact CB-CD 4.04Å; E88-K127 IonicContact OE1-NZ 2.68Å; E88-K127 PolarHBondContact OE1-NZ 3.44Å; E88-K127 IonicContact OE2-NZ 3.41Å; L89-K127 HydrophobicContact CD2-CG 3.8Å; K127-L131 HydrophobicContact CG-CD1 3.83Å; K127-L131 WeakPolarHBondContact O-CB 3.37Å; K127-L131 WeakPolarHBondContact O-CD1 3.47Å; K127-L131 VanDerWaalsContact O-CG 3.25Å; K127-L131 WeakPolarHBondContact O-CG 3.42Å; K127-L131 PolarHBondContact O-N 2.91Å; K127-L131 VanDerWaalsContact O-N 3.16Å
128K94.9Very high94.9Very high178 Ų17869.3 Ų69.377%0.77437%0.374SS*.Hα-helixtrans-68.4-36.2-179.9-65.8-176.6-179.5-179.20112.4S126 K132S126-K128 PolarHBondContact O-N 2.95Å; K128-K132 WeakPolarHBondContact O-CB 3.27Å; K128-K132 PolarHBondContact O-N 3.47Å
129S96.2Very high94.7Very high54 Ų5468.1 Ų68.138%0.37837%0.369SS..Hα-helixtrans-68.5-52-179.5-173.20000110.3D124 S126 L131 K132 A133D124-S129 WeakPolarHBondContact OD2-CB 3.4Å; D124-S129 PolarHBondContact OD2-OG 3Å; S126-S129 WeakPolarHBondContact O-CB 3.18Å; S126-S129 PolarHBondContact O-N 3.18Å; S126-S129 PolarHBondContact OG-N 2.91Å; S129-L131 PolarHBondContact O-N 3.44Å; S129-K132 PolarHBondContact O-N 2.88Å; S129-K132 VanDerWaalsContact O-N 3.15Å; S129-A133 PolarHBondContact O-N 2.78Å
130V96Very high94.5Very high1 Ų170 Ų701%0.00636%0.364CS..Hα-helixtrans-54.8-50.3176.9179.90000111.6L89 E115 F116 D124 S126 K132 A133 I134L89-V130 HydrophobicContact CD1-CG1 3.96Å; L89-V130 HydrophobicContact CD2-CB 3.9Å; L89-V130 HydrophobicContact CD2-CG1 3.74Å; E115-V130 HydrophobicContact CB-CG1 4.11Å; E115-V130 HydrophobicContact CG-CG1 3.97Å; F116-V130 HydrophobicContact CB-CG1 4.36Å; D124-V130 HydrophobicContact CB-CG2 3.76Å; S126-V130 PolarHBondContact O-N 3.38Å; V130-K132 VanDerWaalsContact C-N 3.32Å; V130-K132 PolarHBondContact O-N 3.15Å; V130-A133 PolarHBondContact O-N 3.39Å; V130-I134 HydrophobicContact CG1-CD1 3.76Å; V130-I134 WeakPolarHBondContact O-CD1 3.44Å; V130-I134 WeakPolarHBondContact O-CG1 3.38Å; V130-I134 PolarHBondContact O-N 3.35Å
131L94.6Very high94.2Very high32 Ų3273.2 Ų73.217%0.16838%0.379CS..Hα-helixtrans-62.1-38.3-179.9-71.5165.8000113.1L89 K92 K127 S129 I134 E135L89-L131 HydrophobicContact CD2-CD1 4.5Å; L89-L131 HydrophobicContact CD2-CD2 4.17Å; L89-L131 HydrophobicContact CD2-CG 3.9Å; K92-L131 HydrophobicContact CB-CD1 3.94Å; K92-L131 HydrophobicContact CB-CD2 4.23Å; K92-L131 HydrophobicContact CG-CD1 3.33Å; K92-L131 HydrophobicContact CG-CD2 4.19Å; K92-L131 HydrophobicContact CG-CG 4.41Å; K127-L131 HydrophobicContact CG-CD1 3.83Å; K127-L131 WeakPolarHBondContact O-CB 3.37Å; K127-L131 WeakPolarHBondContact O-CD1 3.47Å; K127-L131 VanDerWaalsContact O-CG 3.25Å; K127-L131 WeakPolarHBondContact O-CG 3.42Å; K127-L131 PolarHBondContact O-N 2.91Å; K127-L131 VanDerWaalsContact O-N 3.16Å; S129-L131 PolarHBondContact O-N 3.44Å; L131-I134 PolarHBondContact O-N 2.98Å; L131-E135 WeakPolarHBondContact O-CB 3.33Å; L131-E135 PolarHBondContact O-N 3.33Å
132K96.2Very high93.8Very high124 Ų12474.2 Ų74.254%0.53938%0.384SS..Hα-helixtrans-67.3-39.6177.8-176.4-179.3176.8-174.50111.3K128 S129 V130 E135 Q136K128-K132 WeakPolarHBondContact O-CB 3.27Å; K128-K132 PolarHBondContact O-N 3.47Å; S129-K132 PolarHBondContact O-N 2.88Å; S129-K132 VanDerWaalsContact O-N 3.15Å; V130-K132 VanDerWaalsContact C-N 3.32Å; V130-K132 PolarHBondContact O-N 3.15Å; K132-E135 PolarHBondContact O-N 3.03Å; K132-Q136 WeakPolarHBondContact O-CB 3.48Å; K132-Q136 VanDerWaalsContact O-CG 3.27Å; K132-Q136 WeakPolarHBondContact O-CG 3.48Å; K132-Q136 PolarHBondContact O-N 3.27Å
133A95.6Very high93.2Very high24 Ų2477 Ų7720%0.19840%0.395CS..Hα-helixtrans-64.5-4317700000111.4E115 S129 V130 Q136 A137E115-A133 HydrophobicContact CG-CB 3.83Å; E115-A133 WeakPolarHBondContact OE1-CB 3.21Å; S129-A133 PolarHBondContact O-N 2.78Å; V130-A133 PolarHBondContact O-N 3.39Å; A133-Q136 PolarHBondContact O-N 3.39Å; A133-A137 WeakPolarHBondContact O-CB 3.47Å; A133-A137 PolarHBondContact O-N 2.95Å
134I94.6Very high92.3Very high7 Ų778.4 Ų78.44%0.03641%0.405CS..Hα-helixtrans-62-46.2175.1-62.2152.8000111.1Y93 I112 E115 V130 L131 Q136 A137 D138Y93-I134 HydrophobicContact CD2-CG2 3.85Å; Y93-I134 HydrophobicContact CE2-CG2 3.47Å; Y93-I134 VanDerWaalsContact CE2-CG2 3.47Å; I112-I134 HydrophobicContact CB-CD1 4.08Å; I112-I134 HydrophobicContact CG1-CD1 3.79Å; I112-I134 HydrophobicContact CG1-CG1 4.44Å; I112-I134 HydrophobicContact CG1-CG2 4.36Å; I112-I134 HydrophobicContact CG2-CD1 3.98Å; E115-I134 HydrophobicContact CB-CG1 4.08Å; E115-I134 HydrophobicContact CG-CG1 4.17Å; V130-I134 HydrophobicContact CG1-CD1 3.76Å; V130-I134 WeakPolarHBondContact O-CD1 3.44Å; V130-I134 WeakPolarHBondContact O-CG1 3.38Å; V130-I134 PolarHBondContact O-N 3.35Å; L131-I134 PolarHBondContact O-N 2.98Å; I134-Q136 VanDerWaalsContact C-N 3.3Å; I134-Q136 PolarHBondContact O-N 2.63Å; I134-A137 PolarHBondContact O-N 2.9Å; I134-A137 VanDerWaalsContact O-N 3.15Å; I134-D138 PolarHBondContact O-N 3.02Å
135E94Very high91.5Very high128 Ų12882.8 Ų82.860%0.59843%0.425SS*.Hα-helixtrans-61.2-39.5178.8-172.7177.9-158.300111.8L131 K132 D138 L139L131-E135 WeakPolarHBondContact O-CB 3.33Å; L131-E135 PolarHBondContact O-N 3.33Å; K132-E135 PolarHBondContact O-N 3.03Å; E135-D138 PolarHBondContact O-N 2.9Å; E135-L139 VanDerWaalsContact O-CG 3.32Å; E135-L139 WeakPolarHBondContact O-CG 3.45Å; E135-L139 PolarHBondContact O-N 3.01Å; E135-L139 VanDerWaalsContact O-N 3.1Å
136Q94.5Very high90.6Very high107 Ų10779.5 Ų79.550%0.541%0.406SS..Hα-helixtrans-66.3-40174.1-73.1177.9-24.900112.5K132 A133 I134 L139 L140K132-Q136 WeakPolarHBondContact O-CB 3.48Å; K132-Q136 VanDerWaalsContact O-CG 3.27Å; K132-Q136 WeakPolarHBondContact O-CG 3.48Å; K132-Q136 PolarHBondContact O-N 3.27Å; A133-Q136 PolarHBondContact O-N 3.39Å; I134-Q136 VanDerWaalsContact C-N 3.3Å; I134-Q136 PolarHBondContact O-N 2.63Å; Q136-L139 PolarHBondContact O-N 3.41Å; Q136-L140 WeakPolarHBondContact O-CG 3.32Å; Q136-L140 PolarHBondContact O-N 3.46Å; Q136-L140 VanDerWaalsContact O-N 3.13Å
137A93Very high89.4Confident54 Ų5482 Ų8245%0.44642%0.421SS..Hα-helixtrans-66.3-39.3176.700000112.1A133 I134 L140 Q141A133-A137 WeakPolarHBondContact O-CB 3.47Å; A133-A137 PolarHBondContact O-N 2.95Å; I134-A137 PolarHBondContact O-N 2.9Å; I134-A137 VanDerWaalsContact O-N 3.15Å; A137-L140 PolarHBondContact O-N 2.69Å; A137-Q141 PolarHBondContact O-N 3.1Å
138D92.3Very high88.4Confident25 Ų2587.5 Ų87.513%0.13444%0.44CS..Hα-helixtrans-63.8-43.6175.9-75.9-19.7000111.4Y93 K108 I134 E135 L140 Q141 E142Y93-D138 VanDerWaalsContact CE2-OD2 3.23Å; Y93-D138 WeakPolarHBondContact CE2-OD2 3.43Å; Y93-D138 PolarHBondContact OH-OD2 3.49Å; K108-D138 IonicContact NZ-OD1 3.99Å; K108-D138 PolarHBondContact NZ-OD1 3.47Å; I134-D138 PolarHBondContact O-N 3.02Å; E135-D138 PolarHBondContact O-N 2.9Å; D138-L140 PolarHBondContact O-N 3.01Å; D138-Q141 PolarHBondContact O-N 2.97Å; D138-E142 WeakPolarHBondContact O-CG 3.48Å; D138-E142 PolarHBondContact O-N 3.07Å
139L92.8Very high87.1Confident96 Ų9680 Ų8050%0.50341%0.41SS..Hα-helixtrans-61-42.6176.2-72.5170.6000112.5E135 Q136 Q141 E142 E143E135-L139 VanDerWaalsContact O-CG 3.32Å; E135-L139 WeakPolarHBondContact O-CG 3.45Å; E135-L139 PolarHBondContact O-N 3.01Å; E135-L139 VanDerWaalsContact O-N 3.1Å; Q136-L139 PolarHBondContact O-N 3.41Å; L139-Q141 VanDerWaalsContact C-N 3.34Å; L139-E142 PolarHBondContact O-N 2.95Å; L139-E143 WeakPolarHBondContact O-CG 3.37Å; L139-E143 PolarHBondContact O-N 3.13Å
140L90.8Very high85.8Confident101 Ų10180.3 Ų80.353%0.52941%0.409SS..Hα-helixtrans-63.9-41.5176.4-72.3168000111.5Q136 A137 D138 E142 E143 D144Q136-L140 WeakPolarHBondContact O-CG 3.32Å; Q136-L140 PolarHBondContact O-N 3.46Å; Q136-L140 VanDerWaalsContact O-N 3.13Å; A137-L140 PolarHBondContact O-N 2.69Å; D138-L140 PolarHBondContact O-N 3.01Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.27Å; L140-E143 PolarHBondContact O-N 3.08Å; L140-D144 PolarHBondContact O-N 3.32Å
141Q87.6Confident84.6Confident70 Ų7084 Ų8433%0.32743%0.429SS..Hα-helixtrans-61.9-40.7176.2-169.1-172.4-22.100111.5A137 D138 L139 D144 E145A137-Q141 PolarHBondContact O-N 3.1Å; D138-Q141 PolarHBondContact O-N 2.97Å; L139-Q141 VanDerWaalsContact C-N 3.34Å; Q141-D144 PolarHBondContact O-N 3.45Å; Q141-E145 PolarHBondContact NE2-OE1 3.24Å; Q141-E145 WeakPolarHBondContact O-CG 3.44Å; Q141-E145 PolarHBondContact O-N 3.45Å; Q141-E145 VanDerWaalsContact O-N 3.08Å
142E87.1Confident83.7Confident134 Ų13487.6 Ų87.663%0.62645%0.445SS*.Hα-helixtrans-67-35.6176.4-72.4-178.6-179.500113D138 L139 L140 S146D138-E142 WeakPolarHBondContact O-CG 3.48Å; D138-E142 PolarHBondContact O-N 3.07Å; L139-E142 PolarHBondContact O-N 2.95Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.27Å; E142-S146 PolarHBondContact O-N 3.32Å
143E83.5Confident82.5Confident129 Ų12989.7 Ų89.760%0.60346%0.457SS*.Hα-helixtrans-64.3-44.1174.4-76.1-177.2172.600111.6L139 L140 E145 S146 S149L139-E143 WeakPolarHBondContact O-CG 3.37Å; L139-E143 PolarHBondContact O-N 3.13Å; L140-E143 PolarHBondContact O-N 3.08Å; E143-E145 PolarHBondContact O-N 3.05Å; E143-S146 VanDerWaalsContact O-CB 3.25Å; E143-S146 WeakPolarHBondContact O-CB 3.25Å; E143-S146 PolarHBondContact O-N 3Å; E143-S146 PolarHBondContact O-OG 2.78Å; E143-S149 PolarHBondContact O-OG 3.5Å; E143-S149 VanDerWaalsContact O-OG 3.05Å
144D78.3Confident81.6Confident116 Ų11694.7 Ų94.762%0.6248%0.477SS*.Hα-helixtrans-67.2-34.1178.9-74-21.4000112.3L140 Q141 S146 S149L140-D144 PolarHBondContact O-N 3.32Å; Q141-D144 PolarHBondContact O-N 3.45Å; D144-S146 VanDerWaalsContact C-N 3.26Å; D144-S146 PolarHBondContact O-N 3.4Å; D144-S149 VanDerWaalsContact C-OG 3.26Å; D144-S149 PolarHBondContact O-OG 2.65Å
145E75.9Confident80.5Confident130 Ų13097.4 Ų97.461%0.60751%0.507SS*.THydrogen-bonded Turntrans-81.40.4176.7-70.3-179.6-165.200113.6Q141 E143Q141-E145 PolarHBondContact NE2-OE1 3.24Å; Q141-E145 WeakPolarHBondContact O-CG 3.44Å; Q141-E145 PolarHBondContact O-N 3.45Å; Q141-E145 VanDerWaalsContact O-N 3.08Å; E143-E145 PolarHBondContact O-N 3.05Å
146S76.3Confident79.5Confident39 Ų3997 Ų9727%0.27351%0.509SS..SBendtrans-64.7146.5-179.579.70000112.2E142 E143 D144 R148 S149 V150E142-S146 PolarHBondContact O-N 3.32Å; E143-S146 VanDerWaalsContact O-CB 3.25Å; E143-S146 WeakPolarHBondContact O-CB 3.25Å; E143-S146 PolarHBondContact O-N 3Å; E143-S146 PolarHBondContact O-OG 2.78Å; D144-S146 VanDerWaalsContact C-N 3.26Å; D144-S146 PolarHBondContact O-N 3.4Å; S146-R148 PolarHBondContact O-N 3.15Å; S146-S149 PolarHBondContact N-OG 2.96Å; S146-S149 PolarHBondContact O-N 3.27Å; S146-S149 PolarHBondContact O-OG 2.93Å; S146-S149 PolarHBondContact OG-N 3.2Å; S146-S149 PolarHBondContact OG-OG 3.29Å; S146-V150 WeakPolarHBondContact O-CG2 3.3Å; S146-V150 PolarHBondContact O-N 3.1Å; S146-V150 VanDerWaalsContact O-N 3.1Å
147P70.4Confident77.7Confident105 Ų10597.8 Ų97.868%0.68253%0.533SS*.Hα-helixtrans-56.8-28.2178.9-24.232.4000112.8L151P147-L151 VanDerWaalsContact O-CB 3.3Å; P147-L151 WeakPolarHBondContact O-CB 3.4Å; P147-L151 VanDerWaalsContact O-CD1 3.25Å; P147-L151 WeakPolarHBondContact O-CD1 3.45Å; P147-L151 WeakPolarHBondContact O-CG 3.39Å; P147-L151 PolarHBondContact O-N 3.22Å
148R71.4Confident76.9Confident183 Ų183100 Ų10069%0.69154%0.537SS*.Hα-helixtrans-74-46.8-179.4-173.5179.4175.4168.82.4112.1S146 V150 L151 E152S146-R148 PolarHBondContact O-N 3.15Å; R148-V150 VanDerWaalsContact C-N 3.33Å; R148-L151 PolarHBondContact O-N 2.91Å; R148-E152 IonicContact CZ-OE1 3.88Å; R148-E152 IonicContact NE-OE1 3.61Å; R148-E152 PolarHBondContact NE-OE1 3.25Å; R148-E152 VanDerWaalsContact NE-OE1 3.15Å; R148-E152 IonicContact NH2-OE1 3.93Å; R148-E152 WeakPolarHBondContact O-CB 3.48Å; R148-E152 WeakPolarHBondContact O-CG 3.25Å; R148-E152 PolarHBondContact O-N 3.31Å
149S67Low76.1Confident22 Ų22103.9 Ų103.915%0.15456%0.559CS.*Hα-helixtrans-62.2-42.6175.649.60000110.8E143 D144 S146 L151 E152 E153E143-S149 PolarHBondContact O-OG 3.5Å; E143-S149 VanDerWaalsContact O-OG 3.05Å; D144-S149 VanDerWaalsContact C-OG 3.26Å; D144-S149 PolarHBondContact O-OG 2.65Å; S146-S149 PolarHBondContact N-OG 2.96Å; S146-S149 PolarHBondContact O-N 3.27Å; S146-S149 PolarHBondContact O-OG 2.93Å; S146-S149 PolarHBondContact OG-N 3.2Å; S146-S149 PolarHBondContact OG-OG 3.29Å; S149-L151 PolarHBondContact O-N 3.43Å; S149-E152 PolarHBondContact O-N 2.85Å; S149-E153 WeakPolarHBondContact O-CG 3.04Å; S149-E153 PolarHBondContact O-N 3.04Å
150V70.4Confident75.2Confident59 Ų59104.3 Ų104.336%0.35856%0.562SS.*Hα-helixtrans-62.5-41.5176.5178.30000111.6S146 R148 E153 M154S146-V150 WeakPolarHBondContact O-CG2 3.3Å; S146-V150 PolarHBondContact O-N 3.1Å; S146-V150 VanDerWaalsContact O-N 3.1Å; R148-V150 VanDerWaalsContact C-N 3.33Å; V150-E153 PolarHBondContact O-N 2.96Å; V150-M154 HydrophobicContact CG1-CG 4.48Å; V150-M154 HydrophobicContact CG1-SD 3.97Å; V150-M154 WeakPolarHBondContact O-CB 3.19Å; V150-M154 WeakPolarHBondContact O-CG 3.36Å; V150-M154 PolarHBondContact O-N 3.34Å
151L71.1Confident74.3Confident80 Ų80104.5 Ų104.542%0.41956%0.564SS.*Hα-helixtrans-68.3-37.2176.6-73167.4000112.4P147 R148 S149 M154 G155 L156P147-L151 VanDerWaalsContact O-CB 3.3Å; P147-L151 WeakPolarHBondContact O-CB 3.4Å; P147-L151 VanDerWaalsContact O-CD1 3.25Å; P147-L151 WeakPolarHBondContact O-CD1 3.45Å; P147-L151 WeakPolarHBondContact O-CG 3.39Å; P147-L151 PolarHBondContact O-N 3.22Å; R148-L151 PolarHBondContact O-N 2.91Å; S149-L151 PolarHBondContact O-N 3.43Å; L151-M154 PolarHBondContact O-N 2.9Å; L151-G155 PolarHBondContact O-N 3.24Å; L151-L156 HydrophobicContact CD2-CB 4.04Å; L151-L156 HydrophobicContact CD2-CD1 4.11Å; L151-L156 PolarHBondContact O-N 3.43Å
152E74.3Confident73.4Confident106 Ų106106.7 Ų106.750%0.49558%0.578SS.*Hα-helixtrans-65-43.4173.7-76.4173.2-167.800111.1R148 S149 M154 G155 A157R148-E152 IonicContact CZ-OE1 3.88Å; R148-E152 IonicContact NE-OE1 3.61Å; R148-E152 PolarHBondContact NE-OE1 3.25Å; R148-E152 VanDerWaalsContact NE-OE1 3.15Å; R148-E152 IonicContact NH2-OE1 3.93Å; R148-E152 WeakPolarHBondContact O-CB 3.48Å; R148-E152 WeakPolarHBondContact O-CG 3.25Å; R148-E152 PolarHBondContact O-N 3.31Å; S149-E152 PolarHBondContact O-N 2.85Å; E152-M154 VanDerWaalsContact C-N 3.34Å; E152-M154 PolarHBondContact O-N 3.47Å; E152-G155 PolarHBondContact O-N 3.13Å; E152-G155 VanDerWaalsContact O-N 3.13Å; E152-A157 HydrophobicContact CB-CB 4.34Å; E152-A157 HydrophobicContact CG-CB 3.51Å
153E71Confident72.5Confident169 Ų169104.9 Ų104.979%0.7958%0.575SS**Hα-helixtrans-64.6-35.4174.2-76.1-166.1157.200113.2S149 V150 G155S149-E153 WeakPolarHBondContact O-CG 3.04Å; S149-E153 PolarHBondContact O-N 3.04Å; V150-E153 PolarHBondContact O-N 2.96Å; E153-G155 PolarHBondContact O-N 3.45Å
154M77.9Confident71.7Confident128 Ų128103.1 Ų103.163%0.63157%0.573SS**THydrogen-bonded Turntrans-76.8-2.7176-69.8-179.47400113.3V150 L151 E152 L156V150-M154 HydrophobicContact CG1-CG 4.48Å; V150-M154 HydrophobicContact CG1-SD 3.97Å; V150-M154 WeakPolarHBondContact O-CB 3.19Å; V150-M154 WeakPolarHBondContact O-CG 3.36Å; V150-M154 PolarHBondContact O-N 3.34Å; L151-M154 PolarHBondContact O-N 2.9Å; E152-M154 VanDerWaalsContact C-N 3.34Å; E152-M154 PolarHBondContact O-N 3.47Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 HydrophobicContact CB-CD1 3.91Å; M154-L156 HydrophobicContact CB-CG 4.05Å; M154-L156 HydrophobicContact CE-CD1 4.08Å; M154-L156 PolarHBondContact O-N 3.43Å; M154-L156 HydrophobicContact SD-CD1 4.48Å
155G71.3Confident71.2Confident65 Ų65102.2 Ų102.267%0.6757%0.57SS**THydrogen-bonded Turntrans67.426.1-178.200000113.6L151 E152 E153L151-G155 PolarHBondContact O-N 3.24Å; E152-G155 PolarHBondContact O-N 3.13Å; E152-G155 VanDerWaalsContact O-N 3.13Å; E153-G155 PolarHBondContact O-N 3.45Å
156L72.5Confident70.8Confident120 Ų12099.8 Ų99.863%0.62857%0.566SS**  trans-1043.7-176.6-65.7174.2000113.2L151 M154L151-L156 HydrophobicContact CD2-CB 4.04Å; L151-L156 HydrophobicContact CD2-CD1 4.11Å; L151-L156 PolarHBondContact O-N 3.43Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 HydrophobicContact CB-CD1 3.91Å; M154-L156 HydrophobicContact CB-CG 4.05Å; M154-L156 HydrophobicContact CE-CD1 4.08Å; M154-L156 PolarHBondContact O-N 3.43Å; M154-L156 HydrophobicContact SD-CD1 4.48Å
157A56.2Low70.3Confident122 Ų122105.4 Ų105.4100%1.00859%0.593SS**  trans-108.20-179.800000112.6E152E152-A157 HydrophobicContact CB-CB 4.34Å; E152-A157 HydrophobicContact CG-CB 3.51Å

Retrieved 157 of 157 residues in 1066 ms (Link to these results)

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