A0A087XE23_POEFO Loading...

Ubiquitin-conjugating enzyme E2 T

AlphaFold DB , UniProt , Accession A0A087XE23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 194 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
1M61.9Low90.6Very high224 Ų22488.5 Ų88.5100%1.10343%0.431SS*.  0-38.20-77.8179.5-173.100114.2
2Q85.9Confident91.1Very high162 Ų16291.3 Ų91.376%0.75744%0.443SS*.Hα-helixtrans-69.1-38-173.8-65178.66.800115.1R6Q2-R6 WeakPolarHBondContact O-CB 3.43Å; Q2-R6 PolarHBondContact O-N 3.06Å
3R92.2Very high91.4Very high49 Ų4990.2 Ų90.219%0.18544%0.438CS..Hα-helixtrans-58.6-53.3178.6175.1175.7174-83.98.5113.2S5 R6 L7 D32 I57 P58 E59 Y61R3-S5 PolarHBondContact O-N 2.81Å; R3-R6 PolarHBondContact O-N 3.17Å; R3-L7 WeakPolarHBondContact O-CB 3.36Å; R3-L7 PolarHBondContact O-N 2.94Å; R3-D32 IonicContact NH2-OD2 3.47Å; R3-I57 PolarHBondContact NH2-O 2.86Å; R3-P58 PolarHBondContact NE-O 3.34Å; R3-P58 PolarHBondContact NH2-O 2.96Å; R3-E59 WeakPolarHBondContact CD-O 3.49Å; R3-Y61 WeakPolarHBondContact CG-O 3.43Å
4A91.5Very high91.7Very high54 Ų5484.2 Ų84.245%0.44641%0.409SS..Hα-helixtrans-63.8-41.7-17700000112.2R6 L7 K8A4-R6 PolarHBondContact O-N 3.47Å; A4-L7 PolarHBondContact O-N 3.38Å; A4-K8 WeakPolarHBondContact O-CB 3.44Å; A4-K8 PolarHBondContact O-N 2.91Å
5S94.1Very high91.9Very high87 Ų8785.2 Ų85.261%0.60843%0.428SS*.Hα-helixtrans-60.7-45.2175.7179.60000111.7R3 R9R3-S5 PolarHBondContact O-N 2.81Å; S5-R9 PolarHBondContact O-N 3.3Å; S5-R9 VanDerWaalsContact O-N 3.11Å
6R95.3Very high92.2Very high48 Ų4885.6 Ų85.618%0.18144%0.436CS..Hα-helixtrans-61-48.6175.1176.3174.1174.8149.8-6.7112.3Q2 R3 A4 K8 R9 E10 Y61 P100 L102Q2-R6 WeakPolarHBondContact O-CB 3.43Å; Q2-R6 PolarHBondContact O-N 3.06Å; R3-R6 PolarHBondContact O-N 3.17Å; A4-R6 PolarHBondContact O-N 3.47Å; R6-K8 VanDerWaalsContact C-N 3.33Å; R6-K8 PolarHBondContact O-N 3.01Å; R6-R9 WeakPolarHBondContact O-CB 3.49Å; R6-R9 PolarHBondContact O-N 2.97Å; R6-R9 VanDerWaalsContact O-N 3.12Å; R6-E10 WeakPolarHBondContact CG-OE1 3.38Å; R6-E10 IonicContact CZ-OE1 3.07Å; R6-E10 IonicContact NE-OE1 2.82Å; R6-E10 PolarHBondContact NE-OE1 2.93Å; R6-E10 IonicContact NH2-OE1 3.37Å; R6-E10 PolarHBondContact NH2-OE1 3.39Å; R6-E10 VanDerWaalsContact NH2-OE1 3.13Å; R6-E10 PolarHBondContact O-N 2.9Å; R6-Y61 HydrophobicContact CG-CE1 4.24Å; R6-Y61 PolarHBondContact NH2-OH 3.43Å; R6-P100 VanDerWaalsContact CZ-O 3.26Å; R6-P100 PolarHBondContact NH1-O 2.89Å; R6-P100 PolarHBondContact NH2-O 3.35Å; R6-L102 PolarHBondContact NH2-O 3.07Å
7L95Very high92.4Very high4 Ų490.1 Ų90.12%0.02146%0.455CS..Hα-helixtrans-61.2-43.1-178.4-174.858.4000111.5R3 A4 R9 E10 L11 I31 L34 I57 I104R3-L7 WeakPolarHBondContact O-CB 3.36Å; R3-L7 PolarHBondContact O-N 2.94Å; A4-L7 PolarHBondContact O-N 3.38Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.42Å; L7-E10 PolarHBondContact O-N 3.23Å; L7-L11 HydrophobicContact CD1-CD1 4.42Å; L7-L11 HydrophobicContact CD1-CG 4.38Å; L7-L11 HydrophobicContact CG-CD1 4.14Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.11Å; L7-I31 VanDerWaalsContact CD2-O 3.24Å; L7-I31 WeakPolarHBondContact CD2-O 3.46Å; L7-L34 HydrophobicContact CD1-CD1 4.37Å; L7-I57 HydrophobicContact CD1-CD1 4.36Å; L7-I57 HydrophobicContact CD1-CG1 3.96Å; L7-I57 HydrophobicContact CD2-CG1 4.31Å; L7-I57 HydrophobicContact CD2-CG2 4.4Å; L7-I104 HydrophobicContact CD1-CD1 3.73Å
8K94Very high92.6Very high156 Ų15688.2 Ų88.268%0.67845%0.45SS*.Hα-helixtrans-58-43.1174.1-174.1177.4179.9178.90111.8A4 R6 Q12A4-K8 WeakPolarHBondContact O-CB 3.44Å; A4-K8 PolarHBondContact O-N 2.91Å; R6-K8 VanDerWaalsContact C-N 3.33Å; R6-K8 PolarHBondContact O-N 3.01Å; K8-Q12 WeakPolarHBondContact O-CB 3.49Å; K8-Q12 PolarHBondContact O-N 3.43Å
9R95.2Very high92.9Very high159 Ų15984.5 Ų84.560%0.643%0.432SS*.Hα-helixtrans-64.2-43.9176.9-166.6-178.482.4-165.96.7112S5 R6 L7 Q12 M13S5-R9 PolarHBondContact O-N 3.3Å; S5-R9 VanDerWaalsContact O-N 3.11Å; R6-R9 WeakPolarHBondContact O-CB 3.49Å; R6-R9 PolarHBondContact O-N 2.97Å; R6-R9 VanDerWaalsContact O-N 3.12Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.42Å; R9-Q12 PolarHBondContact O-N 2.97Å; R9-M13 WeakPolarHBondContact O-CG 3.41Å; R9-M13 PolarHBondContact O-N 3.5Å
10E96.6Very high93.1Very high4 Ų486 Ų862%0.01945%0.448CS..Hα-helixtrans-65.3-42.6178.3-71.1-171.8-149.400112.7R6 L7 Q12 M13 L14 Y61 N103 I104R6-E10 WeakPolarHBondContact CG-OE1 3.38Å; R6-E10 IonicContact CZ-OE1 3.07Å; R6-E10 IonicContact NE-OE1 2.82Å; R6-E10 PolarHBondContact NE-OE1 2.93Å; R6-E10 IonicContact NH2-OE1 3.37Å; R6-E10 PolarHBondContact NH2-OE1 3.39Å; R6-E10 VanDerWaalsContact NH2-OE1 3.13Å; R6-E10 PolarHBondContact O-N 2.9Å; L7-E10 PolarHBondContact O-N 3.23Å; E10-Q12 VanDerWaalsContact C-N 3.35Å; E10-M13 HydrophobicContact CB-CE 4.38Å; E10-M13 HydrophobicContact CG-CE 3.95Å; E10-M13 PolarHBondContact O-N 3.3Å; E10-L14 WeakPolarHBondContact O-CB 3.46Å; E10-L14 WeakPolarHBondContact O-CG 3.4Å; E10-L14 PolarHBondContact O-N 3.05Å; E10-Y61 VanDerWaalsContact CD-OH 3.29Å; E10-Y61 PolarHBondContact OE1-OH 3.43Å; E10-Y61 PolarHBondContact OE2-OH 3.12Å; E10-N103 VanDerWaalsContact CD-CB 3.47Å; E10-N103 HydrophobicContact CG-CB 4.27Å; E10-N103 VanDerWaalsContact OE2-CB 3.32Å; E10-N103 WeakPolarHBondContact OE2-CB 3.31Å; E10-I104 HydrophobicContact CB-CD1 4.48Å; E10-I104 WeakPolarHBondContact OE2-CG1 3.42Å; E10-I104 PolarHBondContact OE2-N 3.19Å
11L95.3Very high93.3Very high27 Ų2783.6 Ų83.614%0.14144%0.444CS..Hα-helixtrans-64.2-39.6175-72.6172.6000112.2L7 L14 S15 Q26 L34L7-L11 HydrophobicContact CD1-CD1 4.42Å; L7-L11 HydrophobicContact CD1-CG 4.38Å; L7-L11 HydrophobicContact CG-CD1 4.14Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.11Å; L11-L14 PolarHBondContact O-N 3.48Å; L11-S15 WeakPolarHBondContact O-CB 3.49Å; L11-S15 PolarHBondContact O-N 2.92Å; L11-Q26 HydrophobicContact CD1-CB 4.31Å; L11-L34 HydrophobicContact CD1-CD2 4.21Å; L11-L34 HydrophobicContact CD2-CD1 3.99Å; L11-L34 HydrophobicContact CD2-CD2 3.92Å
12Q95.7Very high95Very high122 Ų12273.1 Ų73.157%0.5739%0.392SS*.Hα-helixtrans-60.7-47.5174.2-176.1177.9-12.500111K8 R9 E10 L14 S15 T16K8-Q12 WeakPolarHBondContact O-CB 3.49Å; K8-Q12 PolarHBondContact O-N 3.43Å; R9-Q12 PolarHBondContact O-N 2.97Å; E10-Q12 VanDerWaalsContact C-N 3.35Å; Q12-L14 PolarHBondContact O-N 3.35Å; Q12-S15 PolarHBondContact O-N 2.9Å; Q12-S15 VanDerWaalsContact O-N 3.17Å; Q12-T16 WeakPolarHBondContact O-CG2 3.39Å; Q12-T16 PolarHBondContact O-N 3.32Å; Q12-T16 PolarHBondContact O-OG1 3.25Å; Q12-T16 VanDerWaalsContact O-OG1 3.06Å
13M95.1Very high95.6Very high77 Ų7768.4 Ų68.438%0.37938%0.375SS..Hα-helixtrans-61.2-43.3176.9-69.8-176.8-56.700112.1R9 E10 S15 T16 E17R9-M13 WeakPolarHBondContact O-CG 3.41Å; R9-M13 PolarHBondContact O-N 3.5Å; E10-M13 HydrophobicContact CB-CE 4.38Å; E10-M13 HydrophobicContact CG-CE 3.95Å; E10-M13 PolarHBondContact O-N 3.3Å; M13-S15 PolarHBondContact O-N 2.86Å; M13-T16 PolarHBondContact O-N 3.01Å; M13-E17 CarbonylContact O-C 3.57Å; M13-E17 VanDerWaalsContact O-C 3.29Å; M13-E17 WeakPolarHBondContact O-CA 3.41Å; M13-E17 PolarHBondContact O-N 3.11Å
14L95.6Very high95.9Very high6 Ų666.6 Ų66.63%0.03137%0.369CS..Hα-helixtrans-63.9-29.8176.5-78161.7000112.8E10 L11 Q12 P18 C24 I104E10-L14 WeakPolarHBondContact O-CB 3.46Å; E10-L14 WeakPolarHBondContact O-CG 3.4Å; E10-L14 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 3.48Å; Q12-L14 PolarHBondContact O-N 3.35Å; L14-P18 WeakPolarHBondContact O-CB 3.24Å; L14-P18 WeakPolarHBondContact O-CD 3.33Å; L14-C24 HydrophobicContact CD1-CB 3.98Å; L14-C24 HydrophobicContact CD2-CB 4.16Å; L14-C24 HydrophobicContact CG-CB 4.49Å; L14-I104 HydrophobicContact CD1-CB 4.12Å; L14-I104 HydrophobicContact CD1-CG2 3.89Å
15S95.1Very high96.1Very high99 Ų9969.2 Ų69.269%0.69237%0.368SS*.Hα-helixtrans-79.7-35176.7-176.80000113L11 Q12 M13L11-S15 WeakPolarHBondContact O-CB 3.49Å; L11-S15 PolarHBondContact O-N 2.92Å; Q12-S15 PolarHBondContact O-N 2.9Å; Q12-S15 VanDerWaalsContact O-N 3.17Å; M13-S15 PolarHBondContact O-N 2.86Å
16T96.2Very high96.1Very high91 Ų9169.1 Ų69.156%0.55836%0.358SS*.Hα-helixtrans-91.6-37.3-175.856.10000112.8Q12 M13Q12-T16 WeakPolarHBondContact O-CG2 3.39Å; Q12-T16 PolarHBondContact O-N 3.32Å; Q12-T16 PolarHBondContact O-OG1 3.25Å; Q12-T16 VanDerWaalsContact O-OG1 3.06Å; M13-T16 PolarHBondContact O-N 3.01Å
17E95.5Very high95.8Very high162 Ų16268 Ų6876%0.75736%0.356SS*.SBendtrans-139.262.9-174.1-64.4177.8-168.700110.4M13M13-E17 CarbonylContact O-C 3.57Å; M13-E17 VanDerWaalsContact O-C 3.29Å; M13-E17 WeakPolarHBondContact O-CA 3.41Å; M13-E17 PolarHBondContact O-N 3.11Å
18P96.8Very high95.2Very high56 Ų5677.4 Ų77.436%0.36440%0.4SS..PPolyproline II helixtrans-64.5147.9176.424.2-31.1000111.7L14 I22L14-P18 WeakPolarHBondContact O-CB 3.24Å; L14-P18 WeakPolarHBondContact O-CD 3.33Å; P18-I22 VanDerWaalsContact CB-O 3.31Å; P18-I22 WeakPolarHBondContact CB-O 3.08Å
19P97.4Very high94.5Very high18 Ų1878.1 Ų78.112%0.11741%0.406CS..PPolyproline II helixtrans-59.1150.3168.3-21.232.5000111.9G21 I22 S105P19-G21 PolarHBondContact O-N 2.84Å; P19-I22 HydrophobicContact CB-CB 4.12Å; P19-I22 HydrophobicContact CB-CD1 3.85Å; P19-I22 HydrophobicContact CB-CG1 4.34Å; P19-I22 HydrophobicContact CG-CB 4.44Å; P19-I22 HydrophobicContact CG-CD1 4.33Å; P19-I22 PolarHBondContact O-N 3.22Å; P19-S105 WeakPolarHBondContact CG-OG 3.26Å
20P97.6Very high93.9Very high115 Ų11577.7 Ų77.775%0.74740%0.404SS*.THydrogen-bonded Turntrans-54.8126.7179-26.635.1000113.1I22 Q112P20-I22 PolarHBondContact O-N 3.5Å; P20-Q112 PolarHBondContact O-NE2 3.05Å; P20-Q112 VanDerWaalsContact O-NE2 3.11Å
21G97.2Very high93.2Very high36 Ų3681.8 Ų81.837%0.37143%0.425SS..THydrogen-bonded Turntrans71.710.7179.900000114.6P19 I38 V39P19-G21 PolarHBondContact O-N 2.84Å; G21-I38 CarbonylContact O-C 3.59Å; G21-I38 WeakPolarHBondContact O-CA 3.39Å; G21-V39 PolarHBondContact O-N 3.13Å
22I98.4Very high92.9Very high3 Ų382.2 Ų82.22%0.01543%0.428CS..EExtended strand (participates in β ladder)trans-119.8134177.3-61.5171.7000108.8P18 P19 P20 Q37 I38 L108 T109 Q112P18-I22 VanDerWaalsContact CB-O 3.31Å; P18-I22 WeakPolarHBondContact CB-O 3.08Å; P19-I22 HydrophobicContact CB-CB 4.12Å; P19-I22 HydrophobicContact CB-CD1 3.85Å; P19-I22 HydrophobicContact CB-CG1 4.34Å; P19-I22 HydrophobicContact CG-CB 4.44Å; P19-I22 HydrophobicContact CG-CD1 4.33Å; P19-I22 PolarHBondContact O-N 3.22Å; P20-I22 PolarHBondContact O-N 3.5Å; I22-Q37 WeakPolarHBondContact CA-O 3.44Å; I22-I38 HydrophobicContact CG1-CG1 4.28Å; I22-L108 HydrophobicContact CD1-CB 4.21Å; I22-L108 HydrophobicContact CG2-CB 3.9Å; I22-L108 HydrophobicContact CG2-CD1 3.88Å; I22-L108 HydrophobicContact CG2-CG 4.49Å; I22-T109 VanDerWaalsContact CD1-CA 3.49Å; I22-Q112 HydrophobicContact CD1-CB 4.16Å
23T97.9Very high92.8Very high64 Ų6477.4 Ų77.439%0.39341%0.406SS..EExtended strand (participates in β ladder)trans-129.6148.616654.60000109.3A36 Q37T23-A36 CarbonylContact O-C 3.19Å; T23-A36 WeakPolarHBondContact O-CA 3.12Å; T23-A36 WeakPolarHBondContact O-CB 3.37Å; T23-Q37 PolarHBondContact N-O 2.95Å; T23-Q37 PolarHBondContact O-N 2.92Å
24C97.8Very high92.9Very high10 Ų1073.7 Ų73.77%0.06839%0.388CS..EExtended strand (participates in β ladder)trans-151132.3178.2-1780000109.5L14 R35 A36 L108L14-C24 HydrophobicContact CD1-CB 3.98Å; L14-C24 HydrophobicContact CD2-CB 4.16Å; L14-C24 HydrophobicContact CG-CB 4.49Å; C24-R35 CarbonylContact C-O 3.47Å; C24-R35 VanDerWaalsContact CA-O 3.26Å; C24-R35 WeakPolarHBondContact CA-O 3.46Å; C24-A36 HydrophobicContact CB-CB 4.04Å; C24-L108 HydrophobicContact CB-CD1 3.81Å
25W95.6Very high93Very high110 Ų11076.9 Ų76.942%0.41740%0.399SS..EExtended strand (participates in β ladder)trans-145.7158.7-175.964.797.3000111.3L34 R35 Q37W25-L34 CarbonylContact O-C 3.53Å; W25-L34 VanDerWaalsContact O-CA 3.31Å; W25-L34 WeakPolarHBondContact O-CA 3.32Å; W25-L34 WeakPolarHBondContact O-CB 3.48Å; W25-R35 HydrophobicContact CD2-CB 4.19Å; W25-R35 HydrophobicContact CH2-CB 4.23Å; W25-R35 HydrophobicContact CZ2-CB 3.64Å; W25-R35 PolarHBondContact N-O 3.26Å; W25-R35 PolarHBondContact O-N 3.1Å; W25-Q37 HydrophobicContact CH2-CB 4.48Å; W25-Q37 HydrophobicContact CH2-CG 3.77Å; W25-Q37 HydrophobicContact CZ3-CB 4.34Å; W25-Q37 HydrophobicContact CZ3-CG 4.12Å
26Q94.1Very high93.2Very high85 Ų8572.2 Ų72.240%0.39737%0.366SS..EExtended strand (participates in β ladder)trans-76.9142.3177.4-161.8-161.8-49.600110.9L11 L34L11-Q26 HydrophobicContact CD1-CB 4.31Å; Q26-L34 HydrophobicContact CB-CD2 3.93Å; Q26-L34 HydrophobicContact CG-CD2 3.82Å
27T90.7Very high93.3Very high23 Ų2370 Ų7014%0.14135%0.35CS..  trans-78.3157.3167.166.80000110.9E29 D33 R35T27-E29 PolarHBondContact O-N 3.31Å; T27-D33 PolarHBondContact N-O 2.85Å; T27-D33 VanDerWaalsContact N-O 3.08Å; T27-D33 PolarHBondContact OG1-O 3.01Å; T27-R35 HydrophobicContact CG2-CG 3.67Å
28E81.3Confident93.4Very high202 Ų20262.3 Ų62.394%0.94431%0.314SS*.SBendtrans-67.5-24.4-177.8-64.1-178.5-178.100112.8
29E79.6Confident93.5Very high171 Ų17162.8 Ų62.880%0.79932%0.316SS*.SBendtrans-79.9-44.8-172.3-62.4-177-176.800113.1T27T27-E29 PolarHBondContact O-N 3.31Å
30R83.6Confident93.5Very high150 Ų15062.2 Ų62.257%0.56631%0.313SS*.  trans-144.6140.1-171-56.5-177.969.3157.45.4112D32 D33R30-D32 VanDerWaalsContact CB-OD1 3.28Å; R30-D32 WeakPolarHBondContact CB-OD1 3.43Å; R30-D32 IonicContact NE-OD1 2.79Å; R30-D32 PolarHBondContact NE-OD1 3.28Å; R30-D32 IonicContact NH2-OD2 3.84Å; R30-D32 PolarHBondContact O-N 3.15Å; R30-D33 HydrophobicContact CB-CB 4.24Å; R30-D33 PolarHBondContact O-N 3.31Å
31I81.3Confident93.5Very high91 Ų9158.1 Ų58.147%0.46729%0.292SS..THydrogen-bonded Turntrans-66.5-21.4179.462.8168.6000113.5L7L7-I31 VanDerWaalsContact CD2-O 3.24Å; L7-I31 WeakPolarHBondContact CD2-O 3.46Å
32D88.6Confident93.4Very high35 Ų3562.5 Ų62.519%0.18731%0.311CS..THydrogen-bonded Turntrans-103.52.8-175.458.9-23.5000113.7R3 R30 K56 I57R3-D32 IonicContact NH2-OD2 3.47Å; R30-D32 VanDerWaalsContact CB-OD1 3.28Å; R30-D32 WeakPolarHBondContact CB-OD1 3.43Å; R30-D32 IonicContact NE-OD1 2.79Å; R30-D32 PolarHBondContact NE-OD1 3.28Å; R30-D32 IonicContact NH2-OD2 3.84Å; R30-D32 PolarHBondContact O-N 3.15Å; D32-K56 WeakPolarHBondContact O-CA 3.36Å; D32-I57 HydrophobicContact CB-CB 4.13Å; D32-I57 PolarHBondContact O-N 2.96Å
33D94.4Very high93.3Very high21 Ų2165.9 Ų65.911%0.11235%0.346CS..EExtended strand (participates in β ladder)trans-111.9117.7171.4-166.523.3000109.3T27 R30T27-D33 PolarHBondContact N-O 2.85Å; T27-D33 VanDerWaalsContact N-O 3.08Å; T27-D33 PolarHBondContact OG1-O 3.01Å; R30-D33 HydrophobicContact CB-CB 4.24Å; R30-D33 PolarHBondContact O-N 3.31Å
34L96.9Very high93.3Very high0 Ų063.9 Ų63.90%033%0.334CS..EExtended strand (participates in β ladder)trans-122154.2-176.3-42.2174.8000109.4L7 L11 W25 Q26 V55 I57 I104L7-L34 HydrophobicContact CD1-CD1 4.37Å; L11-L34 HydrophobicContact CD1-CD2 4.21Å; L11-L34 HydrophobicContact CD2-CD1 3.99Å; L11-L34 HydrophobicContact CD2-CD2 3.92Å; W25-L34 CarbonylContact O-C 3.53Å; W25-L34 VanDerWaalsContact O-CA 3.31Å; W25-L34 WeakPolarHBondContact O-CA 3.32Å; W25-L34 WeakPolarHBondContact O-CB 3.48Å; Q26-L34 HydrophobicContact CB-CD2 3.93Å; Q26-L34 HydrophobicContact CG-CD2 3.82Å; L34-V55 HydrophobicContact CB-CB 4.08Å; L34-V55 HydrophobicContact CB-CG1 4.48Å; L34-V55 HydrophobicContact CD1-CG1 4.19Å; L34-V55 PolarHBondContact N-O 3.47Å; L34-V55 PolarHBondContact O-N 2.66Å; L34-I57 HydrophobicContact CD1-CD1 3.97Å; L34-I57 HydrophobicContact CD1-CG1 4.01Å; L34-I57 HydrophobicContact CG-CG1 4.33Å; L34-I104 HydrophobicContact CD1-CD1 3.8Å
35R97.8Very high93.4Very high73 Ų7364.4 Ų64.428%0.27534%0.337SS..EExtended strand (participates in β ladder)trans-111.3142.8168.4-65.9-64.4-177.4-138.7-2.1108.9C24 W25 T27 L53 E54C24-R35 CarbonylContact C-O 3.47Å; C24-R35 VanDerWaalsContact CA-O 3.26Å; C24-R35 WeakPolarHBondContact CA-O 3.46Å; W25-R35 HydrophobicContact CD2-CB 4.19Å; W25-R35 HydrophobicContact CH2-CB 4.23Å; W25-R35 HydrophobicContact CZ2-CB 3.64Å; W25-R35 PolarHBondContact N-O 3.26Å; W25-R35 PolarHBondContact O-N 3.1Å; T27-R35 HydrophobicContact CG2-CG 3.67Å; R35-L53 WeakPolarHBondContact CA-O 3.44Å; R35-E54 IonicContact CZ-OE1 3.13Å; R35-E54 IonicContact NH1-OE1 3.36Å; R35-E54 PolarHBondContact NH1-OE1 3.01Å; R35-E54 IonicContact NH2-OE1 2.73Å
36A98.4Very high93.5Very high0 Ų059.2 Ų59.20%032%0.318CS..EExtended strand (participates in β ladder)trans-130.2154.4171.900000110.4T23 C24 S52 L53 V55 L108T23-A36 CarbonylContact O-C 3.19Å; T23-A36 WeakPolarHBondContact O-CA 3.12Å; T23-A36 WeakPolarHBondContact O-CB 3.37Å; C24-A36 HydrophobicContact CB-CB 4.04Å; A36-S52 CarbonylContact O-C 3.29Å; A36-S52 WeakPolarHBondContact O-CA 3.38Å; A36-L53 HydrophobicContact CB-CB 4.38Å; A36-L53 PolarHBondContact N-O 3.25Å; A36-L53 PolarHBondContact O-N 2.71Å; A36-V55 HydrophobicContact CB-CG2 4.08Å; A36-L108 HydrophobicContact CB-CD1 3.9Å; A36-L108 HydrophobicContact CB-CD2 3.92Å
37Q98.4Very high93.7Very high46 Ų4660.1 Ų60.122%0.21532%0.322CS..EExtended strand (participates in β ladder)trans-128.6138.2168.9-76.6175-17.400109.9I22 T23 W25 L50 F51 S52I22-Q37 WeakPolarHBondContact CA-O 3.44Å; T23-Q37 PolarHBondContact N-O 2.95Å; T23-Q37 PolarHBondContact O-N 2.92Å; W25-Q37 HydrophobicContact CH2-CB 4.48Å; W25-Q37 HydrophobicContact CH2-CG 3.77Å; W25-Q37 HydrophobicContact CZ3-CB 4.34Å; W25-Q37 HydrophobicContact CZ3-CG 4.12Å; Q37-L50 HydrophobicContact CB-CD1 4.05Å; Q37-L50 HydrophobicContact CB-CD2 4.45Å; Q37-L50 HydrophobicContact CB-CG 4.18Å; Q37-L50 VanDerWaalsContact CD-CD2 3.46Å; Q37-L50 HydrophobicContact CG-CD2 4.24Å; Q37-L50 HydrophobicContact CG-CG 4.25Å; Q37-F51 CarbonylContact C-O 3.59Å; Q37-F51 VanDerWaalsContact CA-O 3.27Å; Q37-F51 WeakPolarHBondContact CA-O 3.39Å; Q37-S52 PolarHBondContact NE2-OG 2.67Å
38I98.6Very high93.9Very high0 Ų061.8 Ų61.80%034%0.344CS..EExtended strand (participates in β ladder)trans-120.5124174.6-59.1177.2000107.7G21 I22 F51 L53 L108 I111 Q112 M115G21-I38 CarbonylContact O-C 3.59Å; G21-I38 WeakPolarHBondContact O-CA 3.39Å; I22-I38 HydrophobicContact CG1-CG1 4.28Å; I38-F51 PolarHBondContact N-O 2.88Å; I38-F51 PolarHBondContact O-N 3.21Å; I38-L53 HydrophobicContact CB-CD1 4.27Å; I38-L53 HydrophobicContact CD1-CD1 3.79Å; I38-L53 HydrophobicContact CD1-CD2 4.24Å; I38-L53 HydrophobicContact CG1-CD1 3.7Å; I38-L108 HydrophobicContact CD1-CD2 4.43Å; I38-I111 HydrophobicContact CD1-CB 4.29Å; I38-I111 HydrophobicContact CD1-CG2 3.9Å; I38-Q112 HydrophobicContact CG2-CB 3.85Å; I38-Q112 HydrophobicContact CG2-CG 3.77Å; I38-M115 HydrophobicContact CB-SD 4.47Å; I38-M115 HydrophobicContact CG2-CE 4.49Å; I38-M115 HydrophobicContact CG2-SD 3.9Å
39V98.3Very high94.7Very high66 Ų6652.2 Ų52.240%0.430%0.3SS..EExtended strand (participates in β ladder)trans-75.5129.3169.8-1780000107.9G21 G41 L50G21-V39 PolarHBondContact O-N 3.13Å; V39-G41 PolarHBondContact O-N 3.06Å; V39-L50 HydrophobicContact CB-CD1 4.47Å; V39-L50 HydrophobicContact CG2-CD1 3.66Å
40G98Very high95.6Very high5 Ų545.9 Ų45.95%0.05227%0.271CS..PPolyproline II helixtrans-64.9132.5175.300000111.6Y46 G49G40-Y46 WeakPolarHBondContact CA-O 3.43Å; G40-G49 PolarHBondContact N-O 2.73Å
41G96.7Very high96.3Very high30 Ų3038.7 Ų38.731%0.30924%0.244SC..PPolyproline II helixtrans-67147.3-172.200000113.5V39 T44 E47V39-G41 PolarHBondContact O-N 3.06Å; G41-T44 WeakPolarHBondContact O-CB 3.38Å; G41-T44 WeakPolarHBondContact O-CG2 3.27Å; G41-T44 PolarHBondContact O-N 2.87Å; G41-T44 PolarHBondContact O-OG1 2.94Å; G41-E47 WeakPolarHBondContact O-CB 3.4Å
42V96Very high97.1Very high128 Ų12836 Ų3678%0.77623%0.233SC*.THydrogen-bonded Turntrans-61.2138.9174.4-179.50000110.3T44V42-T44 PolarHBondContact O-N 2.66Å
43G95.8Very high97.6Very high73 Ų7334.3 Ų34.375%0.75322%0.224SC*.THydrogen-bonded Turntrans78.1-1.4-17800000114.4E47G43-E47 PolarHBondContact N-OE2 2.85Å
44T98.1Very high97.8Very high23 Ų2333.9 Ų33.914%0.14122%0.221CC..SBendtrans-95.8160.5173.978.40000110.3G41 V42 Y46 E47 A116G41-T44 WeakPolarHBondContact O-CB 3.38Å; G41-T44 WeakPolarHBondContact O-CG2 3.27Å; G41-T44 PolarHBondContact O-N 2.87Å; G41-T44 PolarHBondContact O-OG1 2.94Å; V42-T44 PolarHBondContact O-N 2.66Å; T44-Y46 PolarHBondContact O-N 3.45Å; T44-Y46 VanDerWaalsContact O-N 3.07Å; T44-Y46 PolarHBondContact OG1-N 2.78Å; T44-E47 WeakPolarHBondContact O-CB 3.31Å; T44-E47 PolarHBondContact O-N 2.91Å; T44-E47 PolarHBondContact OG1-N 2.93Å; T44-A116 HydrophobicContact CG2-CB 3.99Å
45P98.4Very high97.9Very high20 Ų2033.9 Ų33.913%0.1322%0.221CC..THydrogen-bonded Turntrans-65.1-7.617227.5-34.8000113.8F139 T140 A143 K144 T147P45-F139 HydrophobicContact CG-CE1 4.25Å; P45-T140 HydrophobicContact CB-CG2 4.16Å; P45-A143 HydrophobicContact CB-CB 3.57Å; P45-A143 HydrophobicContact CG-CB 3.83Å; P45-K144 HydrophobicContact CB-CG 3.81Å; P45-K144 WeakPolarHBondContact O-CA 3.46Å; P45-T147 PolarHBondContact O-OG1 2.71Å
46Y98.6Very high97.8Very high1 Ų134.8 Ų34.80%0.00423%0.227CC..THydrogen-bonded Turntrans-95.4-3.8-179.5-49.9-65000113G40 T44 G48 G49 F51 I74 Y75 H76 M115 F139 A143G40-Y46 WeakPolarHBondContact CA-O 3.43Å; T44-Y46 PolarHBondContact O-N 3.45Å; T44-Y46 VanDerWaalsContact O-N 3.07Å; T44-Y46 PolarHBondContact OG1-N 2.78Å; Y46-G48 PolarHBondContact O-N 2.79Å; Y46-G49 PolarHBondContact O-N 3.04Å; Y46-F51 HydrophobicContact CD1-CE1 4.48Å; Y46-F51 AromaticContact CD1-CZ 3.89Å; Y46-F51 HydrophobicContact CD1-CZ 3.89Å; Y46-F51 HydrophobicContact CG-CZ 4.28Å; Y46-I74 HydrophobicContact CD1-CD1 3.91Å; Y46-I74 HydrophobicContact CD1-CG1 3.99Å; Y46-I74 HydrophobicContact CE1-CD1 3.75Å; Y46-I74 HydrophobicContact CE1-CG1 3.6Å; Y46-Y75 WeakPolarHBondContact CE1-O 3.26Å; Y46-Y75 PolarHBondContact OH-O 2.89Å; Y46-H76 AromaticContact CZ-CD2 3.91Å; Y46-H76 PolarHBondContact OH-CD2 2.81Å; Y46-H76 VanDerWaalsContact OH-CD2 3.29Å; Y46-M115 HydrophobicContact CD2-CB 4.24Å; Y46-M115 WeakPolarHBondContact CD2-O 3.13Å; Y46-M115 HydrophobicContact CE2-CB 4.48Å; Y46-M115 WeakPolarHBondContact CE2-O 3.36Å; Y46-M115 HydrophobicContact CG-CE 4.27Å; Y46-F139 WeakPolarHBondContact OH-CZ 3.5Å; Y46-A143 HydrophobicContact CE1-CB 4.13Å
47E98Very high97.8Very high104 Ų10435 Ų3549%0.48623%0.228SC..THydrogen-bonded Turntrans-50.1134.4-178.2-175.5176156.400112.5G41 G43 T44 G49G41-E47 WeakPolarHBondContact O-CB 3.4Å; G43-E47 PolarHBondContact N-OE2 2.85Å; T44-E47 WeakPolarHBondContact O-CB 3.31Å; T44-E47 PolarHBondContact O-N 2.91Å; T44-E47 PolarHBondContact OG1-N 2.93Å; E47-G49 PolarHBondContact O-N 2.88Å
48G95.4Very high97.7Very high58 Ų5834.4 Ų34.460%0.59823%0.228SC*.THydrogen-bonded Turntrans77.7-9.4-17900000114.9Y46Y46-G48 PolarHBondContact O-N 2.79Å
49G97.9Very high97.5Very high2 Ų242.7 Ų42.72%0.02127%0.267CS..  trans-78.4147.517200000112.7G40 Y46 E47G40-G49 PolarHBondContact N-O 2.73Å; Y46-G49 PolarHBondContact O-N 3.04Å; E47-G49 PolarHBondContact O-N 2.88Å
50L98.3Very high97.4Very high37 Ų3746.5 Ų46.519%0.19427%0.274CS..EExtended strand (participates in β ladder)trans-116113.9168.7-165.671.6000110.3Q37 V39 A151Q37-L50 HydrophobicContact CB-CD1 4.05Å; Q37-L50 HydrophobicContact CB-CD2 4.45Å; Q37-L50 HydrophobicContact CB-CG 4.18Å; Q37-L50 VanDerWaalsContact CD-CD2 3.46Å; Q37-L50 HydrophobicContact CG-CD2 4.24Å; Q37-L50 HydrophobicContact CG-CG 4.25Å; V39-L50 HydrophobicContact CB-CD1 4.47Å; V39-L50 HydrophobicContact CG2-CD1 3.66Å; L50-A151 PolarHBondContact N-O 2.65Å
51F98.7Very high97.4Very high0 Ų046.5 Ų46.50%027%0.273CS..EExtended strand (participates in β ladder)trans-101.4115.9-174.3-61-91.4000109.4Q37 I38 Y46 L53 F70 T72 I74 M115 T147 A151Q37-F51 CarbonylContact C-O 3.59Å; Q37-F51 VanDerWaalsContact CA-O 3.27Å; Q37-F51 WeakPolarHBondContact CA-O 3.39Å; I38-F51 PolarHBondContact N-O 2.88Å; I38-F51 PolarHBondContact O-N 3.21Å; Y46-F51 HydrophobicContact CD1-CE1 4.48Å; Y46-F51 AromaticContact CD1-CZ 3.89Å; Y46-F51 HydrophobicContact CD1-CZ 3.89Å; Y46-F51 HydrophobicContact CG-CZ 4.28Å; F51-L53 VanDerWaalsContact O-CD1 3.27Å; F51-L53 WeakPolarHBondContact O-CD1 3.45Å; F51-F70 HydrophobicContact CB-CD1 4.1Å; F51-F70 HydrophobicContact CB-CE1 3.84Å; F51-F70 HydrophobicContact CD1-CD1 4.43Å; F51-F70 HydrophobicContact CD1-CE1 4.34Å; F51-F70 HydrophobicContact CG-CE1 4.29Å; F51-T72 HydrophobicContact CD1-CG2 3.94Å; F51-T72 HydrophobicContact CE1-CG2 4.48Å; F51-I74 HydrophobicContact CD1-CB 4.16Å; F51-I74 HydrophobicContact CD1-CD1 4Å; F51-I74 HydrophobicContact CD1-CG1 4.25Å; F51-I74 HydrophobicContact CE1-CB 3.97Å; F51-I74 HydrophobicContact CE1-CD1 3.78Å; F51-I74 HydrophobicContact CE1-CG1 3.76Å; F51-I74 HydrophobicContact CZ-CD1 4.33Å; F51-I74 HydrophobicContact CZ-CG1 4.5Å; F51-M115 HydrophobicContact CD2-CE 3.49Å; F51-M115 VanDerWaalsContact CD2-CE 3.49Å; F51-M115 HydrophobicContact CE2-CE 3.69Å; F51-M115 HydrophobicContact CG-CE 3.96Å; F51-M115 HydrophobicContact CZ-CE 4.29Å; F51-T147 HydrophobicContact CZ-CG2 4.03Å; F51-A151 HydrophobicContact CD1-CB 4.11Å; F51-A151 HydrophobicContact CE1-CB 3.68Å; F51-A151 HydrophobicContact CE2-CB 4.16Å; F51-A151 HydrophobicContact CZ-CB 3.7Å
52S98.4Very high97.4Very high34 Ų3445.8 Ų45.824%0.23826%0.263CS..EExtended strand (participates in β ladder)trans-85.9139.2175.8-60.90000110.3A36 Q37 L71 T72A36-S52 CarbonylContact O-C 3.29Å; A36-S52 WeakPolarHBondContact O-CA 3.38Å; Q37-S52 PolarHBondContact NE2-OG 2.67Å; S52-L71 WeakPolarHBondContact O-CA 3.39Å; S52-L71 WeakPolarHBondContact O-CB 3.46Å; S52-L71 PolarHBondContact O-N 3.08Å; S52-T72 PolarHBondContact N-OG1 3.01Å; S52-T72 PolarHBondContact O-N 3.36Å; S52-T72 VanDerWaalsContact O-N 3.16Å
53L98.7Very high97.4Very high0 Ų045.7 Ų45.70%025%0.252CS..EExtended strand (participates in β ladder)trans-129151.6179.5-56.393.5000110.8R35 A36 I38 F51 I68 R69 F70 I85 I111R35-L53 WeakPolarHBondContact CA-O 3.44Å; A36-L53 HydrophobicContact CB-CB 4.38Å; A36-L53 PolarHBondContact N-O 3.25Å; A36-L53 PolarHBondContact O-N 2.71Å; I38-L53 HydrophobicContact CB-CD1 4.27Å; I38-L53 HydrophobicContact CD1-CD1 3.79Å; I38-L53 HydrophobicContact CD1-CD2 4.24Å; I38-L53 HydrophobicContact CG1-CD1 3.7Å; F51-L53 VanDerWaalsContact O-CD1 3.27Å; F51-L53 WeakPolarHBondContact O-CD1 3.45Å; L53-I68 HydrophobicContact CB-CG2 4.33Å; L53-I68 HydrophobicContact CD2-CG2 3.75Å; L53-R69 CarbonylContact C-O 3.43Å; L53-R69 VanDerWaalsContact CA-O 3.28Å; L53-R69 WeakPolarHBondContact CA-O 3.28Å; L53-R69 WeakPolarHBondContact CB-O 3.45Å; L53-F70 HydrophobicContact CD2-CD1 4.32Å; L53-F70 HydrophobicContact CD2-CD2 4Å; L53-F70 HydrophobicContact CD2-CE1 4.16Å; L53-F70 HydrophobicContact CD2-CE2 3.82Å; L53-F70 HydrophobicContact CD2-CG 4.25Å; L53-F70 HydrophobicContact CD2-CZ 3.91Å; L53-F70 HydrophobicContact CG-CD1 4.22Å; L53-F70 HydrophobicContact CG-CE1 4.33Å; L53-F70 HydrophobicContact CG-CG 4.36Å; L53-I85 HydrophobicContact CD2-CD1 4.33Å; L53-I111 HydrophobicContact CD2-CG2 4.36Å
54E98.1Very high97.5Very high12 Ų1245 Ų456%0.05623%0.229CC..EExtended strand (participates in β ladder)trans-98134.1165.7177.3168.6-86.900109R35 K56 I68 R69 L71R35-E54 IonicContact CZ-OE1 3.13Å; R35-E54 IonicContact NH1-OE1 3.36Å; R35-E54 PolarHBondContact NH1-OE1 3.01Å; R35-E54 IonicContact NH2-OE1 2.73Å; E54-K56 VanDerWaalsContact CD-CE 3.47Å; E54-K56 VanDerWaalsContact CD-NZ 3.26Å; E54-K56 HydrophobicContact CG-CD 4.33Å; E54-K56 HydrophobicContact CG-CG 4.11Å; E54-K56 IonicContact OE1-NZ 2.71Å; E54-K56 PolarHBondContact OE1-NZ 3.34Å; E54-K56 WeakPolarHBondContact OE2-CE 3.38Å; E54-K56 IonicContact OE2-NZ 2.69Å; E54-K56 PolarHBondContact OE2-NZ 3.23Å; E54-I68 VanDerWaalsContact O-CA 3.31Å; E54-I68 WeakPolarHBondContact O-CA 3.48Å; E54-R69 HydrophobicContact CB-CG 4.04Å; E54-R69 PolarHBondContact N-O 3.23Å; E54-R69 PolarHBondContact O-N 3.34Å; E54-R69 VanDerWaalsContact O-N 3.08Å; E54-R69 IonicContact OE1-NH2 3.71Å; E54-R69 PolarHBondContact OE1-NH2 3.49Å; E54-R69 IonicContact OE2-CZ 3.86Å; E54-R69 IonicContact OE2-NE 2.83Å; E54-R69 PolarHBondContact OE2-NE 2.89Å; E54-R69 IonicContact OE2-NH2 3.75Å; E54-R69 PolarHBondContact OE2-NH2 3.42Å; E54-R69 VanDerWaalsContact OE2-NH2 3.07Å; E54-L71 HydrophobicContact CB-CD1 4.29Å; E54-L71 HydrophobicContact CB-CD2 3.97Å; E54-L71 HydrophobicContact CB-CG 4.16Å
55V98.3Very high97.5Very high0 Ų044.8 Ų44.80%023%0.228CC..EExtended strand (participates in β ladder)trans-127.9108177.61770000108.2L34 A36 I57 P66 I68 I104 L108L34-V55 HydrophobicContact CB-CB 4.08Å; L34-V55 HydrophobicContact CB-CG1 4.48Å; L34-V55 HydrophobicContact CD1-CG1 4.19Å; L34-V55 PolarHBondContact N-O 3.47Å; L34-V55 PolarHBondContact O-N 2.66Å; A36-V55 HydrophobicContact CB-CG2 4.08Å; V55-I57 HydrophobicContact CG1-CD1 3.95Å; V55-P66 HydrophobicContact CG1-CB 4.17Å; V55-I68 HydrophobicContact CB-CG1 4.38Å; V55-I68 HydrophobicContact CG1-CD1 4.24Å; V55-I68 HydrophobicContact CG1-CG1 4.1Å; V55-I68 HydrophobicContact CG2-CD1 4.07Å; V55-I68 HydrophobicContact CG2-CG1 4.01Å; V55-I68 HydrophobicContact CG2-CG2 4.04Å; V55-I104 HydrophobicContact CG1-CG2 4.39Å; V55-L108 HydrophobicContact CG2-CD2 4.28Å
56K97.6Very high97.4Very high91 Ų9143.9 Ų43.940%0.39622%0.223SC..EExtended strand (participates in β ladder)trans-103.7126.5178.8-75.9173.9170.4151.80110.9D32 E54 P58 N67D32-K56 WeakPolarHBondContact O-CA 3.36Å; E54-K56 VanDerWaalsContact CD-CE 3.47Å; E54-K56 VanDerWaalsContact CD-NZ 3.26Å; E54-K56 HydrophobicContact CG-CD 4.33Å; E54-K56 HydrophobicContact CG-CG 4.11Å; E54-K56 IonicContact OE1-NZ 2.71Å; E54-K56 PolarHBondContact OE1-NZ 3.34Å; E54-K56 WeakPolarHBondContact OE2-CE 3.38Å; E54-K56 IonicContact OE2-NZ 2.69Å; E54-K56 PolarHBondContact OE2-NZ 3.23Å; K56-P58 WeakPolarHBondContact O-CD 3.42Å; K56-N67 HydrophobicContact CB-CB 4.31Å; K56-N67 PolarHBondContact N-O 3.2Å; K56-N67 PolarHBondContact O-N 3.49Å
57I97.3Very high97.4Very high5 Ų548.9 Ų48.93%0.02625%0.249CC..  trans-94.1112.3-176.9-51.5-55.5000109.3R3 L7 D32 L34 V55 Y61 P66 I104R3-I57 PolarHBondContact NH2-O 2.86Å; L7-I57 HydrophobicContact CD1-CD1 4.36Å; L7-I57 HydrophobicContact CD1-CG1 3.96Å; L7-I57 HydrophobicContact CD2-CG1 4.31Å; L7-I57 HydrophobicContact CD2-CG2 4.4Å; D32-I57 HydrophobicContact CB-CB 4.13Å; D32-I57 PolarHBondContact O-N 2.96Å; L34-I57 HydrophobicContact CD1-CD1 3.97Å; L34-I57 HydrophobicContact CD1-CG1 4.01Å; L34-I57 HydrophobicContact CG-CG1 4.33Å; V55-I57 HydrophobicContact CG1-CD1 3.95Å; I57-Y61 HydrophobicContact CG2-CD1 3.89Å; I57-Y61 HydrophobicContact CG2-CD2 4.11Å; I57-Y61 HydrophobicContact CG2-CG 3.56Å; I57-P66 HydrophobicContact CD1-CB 4.03Å; I57-I104 HydrophobicContact CD1-CD1 3.69Å; I57-I104 HydrophobicContact CD1-CG1 4.09Å
58P96.6Very high97.4Very high33 Ų3344.2 Ų44.221%0.21423%0.227CC..  trans-67.2161.3-179.129.4-36.6000112R3 K56 R60 Y61 E64 P65R3-P58 PolarHBondContact NE-O 3.34Å; R3-P58 PolarHBondContact NH2-O 2.96Å; K56-P58 WeakPolarHBondContact O-CD 3.42Å; P58-R60 PolarHBondContact O-N 2.85Å; P58-Y61 VanDerWaalsContact O-CB 3.23Å; P58-Y61 WeakPolarHBondContact O-CB 3.23Å; P58-Y61 PolarHBondContact O-N 3.36Å; P58-Y61 VanDerWaalsContact O-N 3.1Å; P58-E64 HydrophobicContact CB-CB 4.35Å; P58-E64 HydrophobicContact CG-CB 3.77Å; P58-P65 WeakPolarHBondContact CD-O 3.39Å; P58-P65 VanDerWaalsContact CG-O 3.27Å; P58-P65 WeakPolarHBondContact CG-O 3.35Å
59E94.9Very high97.6Very high174 Ų17445.4 Ų45.481%0.81321%0.214SC*.THydrogen-bonded Turntrans-59.9-33.3178.8-68.2-172.5171.300112.9R3 Y61R3-E59 WeakPolarHBondContact CD-O 3.49Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 2.95Å
60R96.1Very high97.6Very high147 Ų14745.6 Ų45.656%0.55521%0.214SC*.THydrogen-bonded Turntrans-88.37179.8-62.1-17462.3-129.72.7113.7P58 F63 E64P58-R60 PolarHBondContact O-N 2.85Å; R60-F63 WeakPolarHBondContact O-CA 3.23Å; R60-F63 WeakPolarHBondContact O-CB 3.39Å; R60-F63 PolarHBondContact O-N 3.3Å; R60-E64 HydrophobicContact CB-CB 4.3Å; R60-E64 HydrophobicContact CB-CG 3.88Å; R60-E64 WeakPolarHBondContact CD-OE1 3.45Å; R60-E64 IonicContact CZ-OE1 3.93Å; R60-E64 IonicContact NE-OE1 3.34Å; R60-E64 IonicContact NH1-OE1 3.33Å; R60-E64 PolarHBondContact NH1-OE1 2.91Å; R60-E64 PolarHBondContact O-N 3.28Å
61Y96.9Very high97.6Very high4 Ų447 Ų472%0.01622%0.221CC..THydrogen-bonded Turntrans-55.8130.7173.1-173.9-93.9000110.6R3 R6 E10 I57 P58 E59 E64 W98R3-Y61 WeakPolarHBondContact CG-O 3.43Å; R6-Y61 HydrophobicContact CG-CE1 4.24Å; R6-Y61 PolarHBondContact NH2-OH 3.43Å; E10-Y61 VanDerWaalsContact CD-OH 3.29Å; E10-Y61 PolarHBondContact OE1-OH 3.43Å; E10-Y61 PolarHBondContact OE2-OH 3.12Å; I57-Y61 HydrophobicContact CG2-CD1 3.89Å; I57-Y61 HydrophobicContact CG2-CD2 4.11Å; I57-Y61 HydrophobicContact CG2-CG 3.56Å; P58-Y61 VanDerWaalsContact O-CB 3.23Å; P58-Y61 WeakPolarHBondContact O-CB 3.23Å; P58-Y61 PolarHBondContact O-N 3.36Å; P58-Y61 VanDerWaalsContact O-N 3.1Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 2.95Å; Y61-E64 WeakPolarHBondContact CD2-O 3.37Å; Y61-W98 HydrophobicContact CD2-CZ2 4.23Å; Y61-W98 AromaticContact CE2-CH2 3.66Å; Y61-W98 HydrophobicContact CE2-CH2 3.66Å; Y61-W98 AromaticContact CE2-CZ2 3.7Å; Y61-W98 HydrophobicContact CE2-CZ2 3.7Å
62P96.6Very high97.6Very high16 Ų1647.7 Ų47.710%0.10423%0.226CC..THydrogen-bonded Turncis-98.19.513.540.1-40000115.7E64 W98 P100P62-E64 PolarHBondContact O-N 3.34Å; P62-W98 HydrophobicContact CB-CZ2 4.47Å; P62-W98 WeakPolarHBondContact O-CZ2 3.36Å; P62-W98 PolarHBondContact O-NE1 3.23Å; P62-P100 HydrophobicContact CB-CB 4.26Å; P62-P100 HydrophobicContact CG-CB 4.15Å; P62-P100 WeakPolarHBondContact O-CA 3.33Å
63F96.9Very high97.6Very high126 Ų12649.3 Ų49.355%0.55324%0.235SC*.THydrogen-bonded Turntrans-73.2-21.4177.4-55.9-70.6000112.4R60 L92 P100R60-F63 WeakPolarHBondContact O-CA 3.23Å; R60-F63 WeakPolarHBondContact O-CB 3.39Å; R60-F63 PolarHBondContact O-N 3.3Å; F63-L92 WeakPolarHBondContact O-CD2 3.43Å; F63-P100 HydrophobicContact CD1-CB 4.43Å; F63-P100 HydrophobicContact CD1-CG 3.84Å; F63-P100 HydrophobicContact CE1-CG 4.36Å
64E97.3Very high97.6Very high57 Ų5750.1 Ų50.127%0.26624%0.24SC..SBendtrans-112.7143.5167.3-69.8177.2-179.900110.4P58 R60 Y61 P62 L92P58-E64 HydrophobicContact CB-CB 4.35Å; P58-E64 HydrophobicContact CG-CB 3.77Å; R60-E64 HydrophobicContact CB-CB 4.3Å; R60-E64 HydrophobicContact CB-CG 3.88Å; R60-E64 WeakPolarHBondContact CD-OE1 3.45Å; R60-E64 IonicContact CZ-OE1 3.93Å; R60-E64 IonicContact NE-OE1 3.34Å; R60-E64 IonicContact NH1-OE1 3.33Å; R60-E64 PolarHBondContact NH1-OE1 2.91Å; R60-E64 PolarHBondContact O-N 3.28Å; Y61-E64 WeakPolarHBondContact CD2-O 3.37Å; P62-E64 PolarHBondContact O-N 3.34Å; E64-L92 HydrophobicContact CG-CD1 4.47Å
65P97.9Very high97.6Very high19 Ų1951 Ų5112%0.12324%0.243CC..  trans-66.6156.4178.426.7-33.1000112P58 L90 W98P58-P65 WeakPolarHBondContact CD-O 3.39Å; P58-P65 VanDerWaalsContact CG-O 3.27Å; P58-P65 WeakPolarHBondContact CG-O 3.35Å; P65-L90 WeakPolarHBondContact CG-O 3.41Å; P65-W98 VanDerWaalsContact CA-CE2 3.43Å; P65-W98 HydrophobicContact CB-CB 4.15Å; P65-W98 HydrophobicContact CB-CD2 3.53Å; P65-W98 HydrophobicContact CB-CE3 3.86Å; P65-W98 HydrophobicContact CB-CG 3.66Å; P65-W98 HydrophobicContact CG-CB 4.4Å; P65-W98 HydrophobicContact CG-CD2 4.48Å; P65-W98 HydrophobicContact CG-CG 4.14Å
66P97.9Very high97.7Very high2 Ų251 Ų511%0.01324%0.243CC..  trans-62.4145.7167.330.3-33.9000110V55 I57 I68 L90V55-P66 HydrophobicContact CG1-CB 4.17Å; I57-P66 HydrophobicContact CD1-CB 4.03Å; P66-I68 HydrophobicContact CB-CD1 4.36Å; P66-I68 HydrophobicContact CB-CG1 4.12Å; P66-I68 HydrophobicContact CG-CD1 4.01Å; P66-I68 HydrophobicContact CG-CG1 4.19Å; P66-L90 HydrophobicContact CG-CD2 4.43Å; P66-L90 WeakPolarHBondContact O-CD2 3.5Å
67N98.1Very high97.7Very high105 Ų10546.7 Ų46.756%0.56122%0.224SC*.EExtended strand (participates in β ladder)trans-88.4114.7169.4-174.8-29.4000108.4K56K56-N67 HydrophobicContact CB-CB 4.31Å; K56-N67 PolarHBondContact N-O 3.2Å; K56-N67 PolarHBondContact O-N 3.49Å
68I98.6Very high97.8Very high6 Ų646.5 Ų46.53%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-120.7132.7-176.7-51.8-172.7000109.7L53 E54 V55 P66 I85 L90 V107 L108 I111L53-I68 HydrophobicContact CB-CG2 4.33Å; L53-I68 HydrophobicContact CD2-CG2 3.75Å; E54-I68 VanDerWaalsContact O-CA 3.31Å; E54-I68 WeakPolarHBondContact O-CA 3.48Å; V55-I68 HydrophobicContact CB-CG1 4.38Å; V55-I68 HydrophobicContact CG1-CD1 4.24Å; V55-I68 HydrophobicContact CG1-CG1 4.1Å; V55-I68 HydrophobicContact CG2-CD1 4.07Å; V55-I68 HydrophobicContact CG2-CG1 4.01Å; V55-I68 HydrophobicContact CG2-CG2 4.04Å; P66-I68 HydrophobicContact CB-CD1 4.36Å; P66-I68 HydrophobicContact CB-CG1 4.12Å; P66-I68 HydrophobicContact CG-CD1 4.01Å; P66-I68 HydrophobicContact CG-CG1 4.19Å; I68-I85 HydrophobicContact CB-CD1 4.37Å; I68-I85 HydrophobicContact CG2-CD1 3.96Å; I68-L90 HydrophobicContact CB-CD1 4.38Å; I68-L90 HydrophobicContact CB-CD2 4.22Å; I68-L90 HydrophobicContact CD1-CD2 4.02Å; I68-L90 HydrophobicContact CG1-CD2 3.96Å; I68-V107 HydrophobicContact CD1-CB 4.46Å; I68-V107 HydrophobicContact CD1-CG1 3.63Å; I68-L108 HydrophobicContact CD1-CD2 4.19Å; I68-I111 HydrophobicContact CB-CD1 4.25Å; I68-I111 HydrophobicContact CD1-CD1 3.95Å; I68-I111 HydrophobicContact CG2-CD1 3.83Å
69R98.4Very high97.9Very high84 Ų8445 Ų4532%0.31721%0.213SC..EExtended strand (participates in β ladder)trans-141.4151.3172.567.3179-175.399.85.7111.7L53 E54 G83L53-R69 CarbonylContact C-O 3.43Å; L53-R69 VanDerWaalsContact CA-O 3.28Å; L53-R69 WeakPolarHBondContact CA-O 3.28Å; L53-R69 WeakPolarHBondContact CB-O 3.45Å; E54-R69 HydrophobicContact CB-CG 4.04Å; E54-R69 PolarHBondContact N-O 3.23Å; E54-R69 PolarHBondContact O-N 3.34Å; E54-R69 VanDerWaalsContact O-N 3.08Å; E54-R69 IonicContact OE1-NH2 3.71Å; E54-R69 PolarHBondContact OE1-NH2 3.49Å; E54-R69 IonicContact OE2-CZ 3.86Å; E54-R69 IonicContact OE2-NE 2.83Å; E54-R69 PolarHBondContact OE2-NE 2.89Å; E54-R69 IonicContact OE2-NH2 3.75Å; E54-R69 PolarHBondContact OE2-NH2 3.42Å; E54-R69 VanDerWaalsContact OE2-NH2 3.07Å; R69-G83 CarbonylContact C-O 3.5Å; R69-G83 WeakPolarHBondContact CA-O 3.43Å; R69-G83 VanDerWaalsContact CB-O 3.28Å; R69-G83 WeakPolarHBondContact CB-O 3.28Å
70F98.8Very high98Very high5 Ų537.6 Ų37.62%0.02218%0.179CC..EExtended strand (participates in β ladder)trans-70.8135.9171-76.8-102.3000110.4F51 L53 I74 I79 G83 I85 I111 M115F51-F70 HydrophobicContact CB-CD1 4.1Å; F51-F70 HydrophobicContact CB-CE1 3.84Å; F51-F70 HydrophobicContact CD1-CD1 4.43Å; F51-F70 HydrophobicContact CD1-CE1 4.34Å; F51-F70 HydrophobicContact CG-CE1 4.29Å; L53-F70 HydrophobicContact CD2-CD1 4.32Å; L53-F70 HydrophobicContact CD2-CD2 4Å; L53-F70 HydrophobicContact CD2-CE1 4.16Å; L53-F70 HydrophobicContact CD2-CE2 3.82Å; L53-F70 HydrophobicContact CD2-CG 4.25Å; L53-F70 HydrophobicContact CD2-CZ 3.91Å; L53-F70 HydrophobicContact CG-CD1 4.22Å; L53-F70 HydrophobicContact CG-CE1 4.33Å; L53-F70 HydrophobicContact CG-CG 4.36Å; F70-I74 HydrophobicContact CD1-CG2 4.04Å; F70-I74 HydrophobicContact CE1-CD1 4.17Å; F70-I74 HydrophobicContact CE1-CG2 4.41Å; F70-I74 HydrophobicContact CG-CG2 4.17Å; F70-I79 HydrophobicContact CB-CG2 4.4Å; F70-I79 HydrophobicContact CD2-CD1 3.81Å; F70-I79 HydrophobicContact CD2-CG1 4.24Å; F70-I79 HydrophobicContact CD2-CG2 3.79Å; F70-I79 HydrophobicContact CE1-CD1 4.36Å; F70-I79 HydrophobicContact CE2-CD1 3.31Å; F70-I79 HydrophobicContact CE2-CG1 4.02Å; F70-I79 HydrophobicContact CE2-CG2 4.42Å; F70-I79 HydrophobicContact CG-CG2 4.24Å; F70-I79 HydrophobicContact CZ-CD1 3.63Å; F70-G83 PolarHBondContact N-O 3.14Å; F70-I85 HydrophobicContact CD2-CD1 3.65Å; F70-I85 HydrophobicContact CD2-CG1 3.69Å; F70-I85 HydrophobicContact CE2-CD1 3.49Å; F70-I85 VanDerWaalsContact CE2-CD1 3.49Å; F70-I85 HydrophobicContact CE2-CG1 3.79Å; F70-I111 HydrophobicContact CE2-CG2 3.89Å; F70-I111 HydrophobicContact CZ-CG2 3.81Å; F70-M115 HydrophobicContact CE1-SD 4.14Å; F70-M115 HydrophobicContact CZ-CG 4.27Å; F70-M115 HydrophobicContact CZ-SD 3.95Å
71L98.3Very high98Very high66 Ų6637.4 Ų37.435%0.34619%0.189SC..SBendtrans-96.1-38.3166.6-59.7177.3000110.2S52 E54 P73S52-L71 WeakPolarHBondContact O-CA 3.39Å; S52-L71 WeakPolarHBondContact O-CB 3.46Å; S52-L71 PolarHBondContact O-N 3.08Å; E54-L71 HydrophobicContact CB-CD1 4.29Å; E54-L71 HydrophobicContact CB-CD2 3.97Å; E54-L71 HydrophobicContact CB-CG 4.16Å; L71-P73 WeakPolarHBondContact O-CD 3.43Å
72T98.4Very high98Very high16 Ų1640.9 Ų40.910%0.09821%0.214CC..SBendtrans-75.6124.2172-59.10000109.7F51 S52 I74 H150 A151F51-T72 HydrophobicContact CD1-CG2 3.94Å; F51-T72 HydrophobicContact CE1-CG2 4.48Å; S52-T72 PolarHBondContact N-OG1 3.01Å; S52-T72 PolarHBondContact O-N 3.36Å; S52-T72 VanDerWaalsContact O-N 3.16Å; T72-I74 PolarHBondContact O-N 2.75Å; T72-H150 HydrophobicContact CG2-CB 4.47Å; T72-H150 WeakPolarHBondContact CG2-O 3.1Å; T72-A151 HydrophobicContact CG2-CB 3.86Å
73P98.3Very high98.1Very high67 Ų6740.4 Ų40.444%0.43521%0.212SC..  trans-56.1137.4173.4-25.634.4000112.3L71 H150L71-P73 WeakPolarHBondContact O-CD 3.43Å; P73-H150 HydrophobicContact CB-CB 4.21Å; P73-H150 HydrophobicContact CG-CB 4.39Å
74I98.6Very high98.2Very high17 Ų1742 Ų429%0.08721%0.214CC..  trans-139.6137.6-179.5-172.6174.4000110.2Y46 F51 F70 T72 H76 I79 M115Y46-I74 HydrophobicContact CD1-CD1 3.91Å; Y46-I74 HydrophobicContact CD1-CG1 3.99Å; Y46-I74 HydrophobicContact CE1-CD1 3.75Å; Y46-I74 HydrophobicContact CE1-CG1 3.6Å; F51-I74 HydrophobicContact CD1-CB 4.16Å; F51-I74 HydrophobicContact CD1-CD1 4Å; F51-I74 HydrophobicContact CD1-CG1 4.25Å; F51-I74 HydrophobicContact CE1-CB 3.97Å; F51-I74 HydrophobicContact CE1-CD1 3.78Å; F51-I74 HydrophobicContact CE1-CG1 3.76Å; F51-I74 HydrophobicContact CZ-CD1 4.33Å; F51-I74 HydrophobicContact CZ-CG1 4.5Å; F70-I74 HydrophobicContact CD1-CG2 4.04Å; F70-I74 HydrophobicContact CE1-CD1 4.17Å; F70-I74 HydrophobicContact CE1-CG2 4.41Å; F70-I74 HydrophobicContact CG-CG2 4.17Å; T72-I74 PolarHBondContact O-N 2.75Å; I74-H76 HydrophobicContact CD1-CB 4.4Å; I74-H76 HydrophobicContact CG1-CB 4.22Å; I74-H76 HydrophobicContact CG2-CB 4.46Å; I74-H76 PolarHBondContact O-N 3.36Å; I74-I79 HydrophobicContact CD1-CD1 4.12Å; I74-I79 HydrophobicContact CG2-CB 3.97Å; I74-I79 HydrophobicContact CG2-CD1 3.73Å; I74-I79 HydrophobicContact CG2-CG1 4.46Å; I74-I79 HydrophobicContact CG2-CG2 3.65Å; I74-M115 HydrophobicContact CD1-CE 4.05Å; I74-M115 HydrophobicContact CD1-CG 4.27Å
75Y98.6Very high98.2Very high31 Ų3140.2 Ų40.212%0.12221%0.207CC..  trans-88.499.8173.9-165.1-100.2000109.4Y46 I128 E131 F139 K142 A143 W146Y46-Y75 WeakPolarHBondContact CE1-O 3.26Å; Y46-Y75 PolarHBondContact OH-O 2.89Å; Y75-I128 HydrophobicContact CD1-CG2 4.04Å; Y75-I128 HydrophobicContact CD2-CD1 3.81Å; Y75-I128 HydrophobicContact CE1-CD1 4.42Å; Y75-I128 HydrophobicContact CE1-CG1 4.29Å; Y75-I128 HydrophobicContact CE1-CG2 3.67Å; Y75-I128 HydrophobicContact CE2-CD1 3.59Å; Y75-I128 HydrophobicContact CE2-CG1 3.83Å; Y75-I128 HydrophobicContact CG-CD1 4.29Å; Y75-E131 PolarHBondContact OH-OE1 2.8Å; Y75-F139 HydrophobicContact CD1-CD2 4.13Å; Y75-F139 HydrophobicContact CD1-CE2 4.06Å; Y75-F139 AromaticContact CE1-CD2 3.92Å; Y75-F139 HydrophobicContact CE1-CD2 3.92Å; Y75-F139 HydrophobicContact CE1-CE2 4.26Å; Y75-K142 HydrophobicContact CD1-CB 4.14Å; Y75-K142 HydrophobicContact CE1-CB 3.88Å; Y75-K142 HydrophobicContact CE1-CD 4.27Å; Y75-A143 HydrophobicContact CD1-CB 4.14Å; Y75-W146 HydrophobicContact CD2-CD2 4.23Å; Y75-W146 HydrophobicContact CD2-CE3 4.03Å; Y75-W146 HydrophobicContact CD2-CZ3 4.36Å
76H98.7Very high98.1Very high0 Ų039.8 Ų39.80%020%0.204CC..BIsolated β-bridgetrans-151.5141.7-172.2-169.6-86.7000112.2Y46 I74 N78 I79 L114Y46-H76 AromaticContact CZ-CD2 3.91Å; Y46-H76 PolarHBondContact OH-CD2 2.81Å; Y46-H76 VanDerWaalsContact OH-CD2 3.29Å; I74-H76 HydrophobicContact CD1-CB 4.4Å; I74-H76 HydrophobicContact CG1-CB 4.22Å; I74-H76 HydrophobicContact CG2-CB 4.46Å; I74-H76 PolarHBondContact O-N 3.36Å; H76-N78 VanDerWaalsContact C-N 3.35Å; H76-N78 PolarHBondContact CE1-OD1 2.94Å; H76-N78 VanDerWaalsContact CE1-OD1 3.27Å; H76-N78 PolarHBondContact ND1-N 3.42Å; H76-N78 PolarHBondContact O-N 2.74Å; H76-I79 HydrophobicContact CB-CB 4.11Å; H76-I79 HydrophobicContact CB-CD1 3.91Å; H76-I79 HydrophobicContact CB-CG1 4.22Å; H76-I79 PolarHBondContact O-N 3.07Å; H76-L114 PolarHBondContact NE2-O 2.93Å
77P98.4Very high98Very high0 Ų040.8 Ų40.80%021%0.209CC..THydrogen-bonded Turntrans-61.4-36.3-179.6-24.433.8000114.8P118 L124 M125 I128 F132 F139P77-P118 HydrophobicContact CG-CB 3.85Å; P77-L124 PolarHBondContact O-N 2.79Å; P77-M125 PolarHBondContact O-N 3.1Å; P77-I128 HydrophobicContact CG-CG2 4.04Å; P77-F132 HydrophobicContact CG-CB 4.12Å; P77-F132 HydrophobicContact CG-CG 4.34Å; P77-F139 HydrophobicContact CG-CE2 4.27Å
78N98.7Very high97.9Very high1 Ų139.5 Ų39.51%0.00520%0.202CC..THydrogen-bonded Turntrans-98.87.6-175.5-50.299.6000114.5H76 C86 L114 N119 D122 L124H76-N78 VanDerWaalsContact C-N 3.35Å; H76-N78 PolarHBondContact CE1-OD1 2.94Å; H76-N78 VanDerWaalsContact CE1-OD1 3.27Å; H76-N78 PolarHBondContact ND1-N 3.42Å; H76-N78 PolarHBondContact O-N 2.74Å; N78-C86 HydrophobicContact CB-CB 4.43Å; N78-C86 PolarHBondContact O-N 2.99Å; N78-L114 HydrophobicContact CB-CD1 4.31Å; N78-L114 HydrophobicContact CB-CD2 4.17Å; N78-N119 PolarHBondContact ND2-O 3.5Å; N78-N119 PolarHBondContact OD1-N 3.29Å; N78-N119 PolarHBondContact OD1-O 3.24Å; N78-D122 PolarHBondContact ND2-O 3.27Å; N78-L124 WeakPolarHBondContact O-CD1 3.48Å
79I98.6Very high97.7Very high2 Ų239.6 Ų39.61%0.0120%0.203CC..BIsolated β-bridgetrans-129.2125.5179.6-53.8161.5000108F70 I74 H76 R84 I85 M125F70-I79 HydrophobicContact CB-CG2 4.4Å; F70-I79 HydrophobicContact CD2-CD1 3.81Å; F70-I79 HydrophobicContact CD2-CG1 4.24Å; F70-I79 HydrophobicContact CD2-CG2 3.79Å; F70-I79 HydrophobicContact CE1-CD1 4.36Å; F70-I79 HydrophobicContact CE2-CD1 3.31Å; F70-I79 HydrophobicContact CE2-CG1 4.02Å; F70-I79 HydrophobicContact CE2-CG2 4.42Å; F70-I79 HydrophobicContact CG-CG2 4.24Å; F70-I79 HydrophobicContact CZ-CD1 3.63Å; I74-I79 HydrophobicContact CD1-CD1 4.12Å; I74-I79 HydrophobicContact CG2-CB 3.97Å; I74-I79 HydrophobicContact CG2-CD1 3.73Å; I74-I79 HydrophobicContact CG2-CG1 4.46Å; I74-I79 HydrophobicContact CG2-CG2 3.65Å; H76-I79 HydrophobicContact CB-CB 4.11Å; H76-I79 HydrophobicContact CB-CD1 3.91Å; H76-I79 HydrophobicContact CB-CG1 4.22Å; H76-I79 PolarHBondContact O-N 3.07Å; I79-R84 VanDerWaalsContact CA-O 3.28Å; I79-R84 WeakPolarHBondContact CA-O 3.49Å; I79-I85 HydrophobicContact CG1-CG1 4.42Å; I79-I85 HydrophobicContact CG1-CG2 4.44Å; I79-M125 WeakPolarHBondContact O-CG 3.35Å
80D97.9Very high97.6Very high18 Ų1836.9 Ų36.910%0.09620%0.195CC..  trans-89.7176-178.577.85.1000113.3S82 G83 R84 L124 M125D80-S82 PolarHBondContact O-N 2.92Å; D80-S82 VanDerWaalsContact O-N 3.15Å; D80-S82 WeakPolarHBondContact OD1-CA 3.27Å; D80-S82 WeakPolarHBondContact OD1-CB 3.43Å; D80-S82 PolarHBondContact OD1-N 3.28Å; D80-G83 WeakPolarHBondContact O-CA 3.31Å; D80-G83 PolarHBondContact O-N 3.47Å; D80-G83 PolarHBondContact OD1-N 3.09Å; D80-G83 VanDerWaalsContact OD1-N 3.08Å; D80-R84 PolarHBondContact N-O 3.18Å; D80-R84 VanDerWaalsContact N-O 3.1Å; D80-R84 WeakPolarHBondContact OD1-CB 3.44Å; D80-R84 PolarHBondContact OD1-N 3.36Å; D80-R84 IonicContact OD1-NE 2.79Å; D80-R84 IonicContact OD2-CZ 3.8Å; D80-R84 IonicContact OD2-NE 3.94Å; D80-R84 PolarHBondContact OD2-NE 3.05Å; D80-R84 IonicContact OD2-NH2 2.65Å; D80-R84 PolarHBondContact OD2-NH2 2.81Å; D80-L124 HydrophobicContact CB-CB 4.34Å; D80-L124 HydrophobicContact CB-CD1 4.37Å; D80-M125 HydrophobicContact CB-SD 3.98Å
81N96.4Very high97.5Very high143 Ų14340 Ų4077%0.76521%0.209SC*.THydrogen-bonded Turntrans-62.7-18.9179.5-62.474.8000114.4G83 M125N81-G83 VanDerWaalsContact C-N 3.28Å; N81-M125 WeakPolarHBondContact OD1-CE 3.49Å
82S97.3Very high97.4Very high78 Ų7840.7 Ų40.755%0.54521%0.212SC..THydrogen-bonded Turntrans-87.7-0.8173.7-56.70000112.4D80 R84D80-S82 PolarHBondContact O-N 2.92Å; D80-S82 VanDerWaalsContact O-N 3.15Å; D80-S82 WeakPolarHBondContact OD1-CA 3.27Å; D80-S82 WeakPolarHBondContact OD1-CB 3.43Å; D80-S82 PolarHBondContact OD1-N 3.28Å; S82-R84 VanDerWaalsContact C-N 3.32Å
83G97.9Very high97.2Very high6 Ų643.6 Ų43.66%0.06223%0.231CC..  trans799.6-176.500000114.1R69 F70 D80 N81R69-G83 CarbonylContact C-O 3.5Å; R69-G83 WeakPolarHBondContact CA-O 3.43Å; R69-G83 VanDerWaalsContact CB-O 3.28Å; R69-G83 WeakPolarHBondContact CB-O 3.28Å; F70-G83 PolarHBondContact N-O 3.14Å; D80-G83 WeakPolarHBondContact O-CA 3.31Å; D80-G83 PolarHBondContact O-N 3.47Å; D80-G83 PolarHBondContact OD1-N 3.09Å; D80-G83 VanDerWaalsContact OD1-N 3.08Å; N81-G83 VanDerWaalsContact C-N 3.28Å
84R98.1Very high97Very high158 Ų15846.8 Ų46.860%0.59625%0.252SS*.BIsolated β-bridgetrans-68.2140.2177.5-61.9-175.5-62.7-177.11.7109.3I79 D80 S82 L124I79-R84 VanDerWaalsContact CA-O 3.28Å; I79-R84 WeakPolarHBondContact CA-O 3.49Å; D80-R84 PolarHBondContact N-O 3.18Å; D80-R84 VanDerWaalsContact N-O 3.1Å; D80-R84 WeakPolarHBondContact OD1-CB 3.44Å; D80-R84 PolarHBondContact OD1-N 3.36Å; D80-R84 IonicContact OD1-NE 2.79Å; D80-R84 IonicContact OD2-CZ 3.8Å; D80-R84 IonicContact OD2-NE 3.94Å; D80-R84 PolarHBondContact OD2-NE 3.05Å; D80-R84 IonicContact OD2-NH2 2.65Å; D80-R84 PolarHBondContact OD2-NH2 2.81Å; S82-R84 VanDerWaalsContact C-N 3.32Å; R84-L124 VanDerWaalsContact O-CD1 3.28Å; R84-L124 WeakPolarHBondContact O-CD1 3.5Å
85I98.4Very high96.7Very high20 Ų2055 Ų5510%0.10329%0.287CS..BIsolated β-bridgetrans-110.7127.7-174.5-50.3171.3000108.9L53 I68 F70 I79 H87 L90 I111 L114L53-I85 HydrophobicContact CD2-CD1 4.33Å; I68-I85 HydrophobicContact CB-CD1 4.37Å; I68-I85 HydrophobicContact CG2-CD1 3.96Å; F70-I85 HydrophobicContact CD2-CD1 3.65Å; F70-I85 HydrophobicContact CD2-CG1 3.69Å; F70-I85 HydrophobicContact CE2-CD1 3.49Å; F70-I85 VanDerWaalsContact CE2-CD1 3.49Å; F70-I85 HydrophobicContact CE2-CG1 3.79Å; I79-I85 HydrophobicContact CG1-CG1 4.42Å; I79-I85 HydrophobicContact CG1-CG2 4.44Å; I85-H87 HydrophobicContact CG2-CB 3.94Å; I85-L90 HydrophobicContact CB-CD1 3.94Å; I85-L90 HydrophobicContact CD1-CD1 4.28Å; I85-L90 HydrophobicContact CG2-CD1 4.16Å; I85-I111 HydrophobicContact CD1-CD1 3.85Å; I85-I111 HydrophobicContact CD1-CG1 4.32Å; I85-I111 HydrophobicContact CD1-CG2 4.29Å; I85-L114 HydrophobicContact CG2-CD2 3.86Å
86C96.5Very high96.4Very high10 Ų1054.2 Ų54.27%0.06829%0.289CS..  trans-90.3100.9165.3-173.60000109.1N78 K91 D122 L124N78-C86 HydrophobicContact CB-CB 4.43Å; N78-C86 PolarHBondContact O-N 2.99Å; C86-K91 PolarHBondContact SG-NZ 3.23Å; C86-D122 VanDerWaalsContact SG-CG 3.55Å; C86-D122 PolarHBondContact SG-OD2 3.37Å; C86-L124 HydrophobicContact CB-CD1 3.77Å; C86-L124 HydrophobicContact CB-CD2 3.82Å; C86-L124 HydrophobicContact CB-CG 3.5Å; C86-L124 VanDerWaalsContact CB-CG 3.5Å
87H95.8Very high96.3Very high24 Ų2456.1 Ų56.111%0.11130%0.304CS..  trans-145.2142.9177.5-165.912.8000111I85 L90 S110 L114I85-H87 HydrophobicContact CG2-CB 3.94Å; H87-L90 HydrophobicContact CB-CD1 4.21Å; H87-L90 HydrophobicContact CB-CG 4.4Å; H87-L90 PolarHBondContact O-N 2.98Å; H87-S110 PolarHBondContact CE1-OG 3.1Å; H87-S110 WeakPolarHBondContact NE2-CB 3.4Å; H87-S110 PolarHBondContact NE2-OG 3.44Å; H87-L114 HydrophobicContact CB-CD2 4.16Å
88D94.6Very high96.3Very high78 Ų7856.3 Ų56.342%0.41731%0.305SS..G310 helixtrans-69-35.1-175.670.7-20.8000112.5L90 K91 A97D88-L90 PolarHBondContact O-N 2.7Å; D88-L90 VanDerWaalsContact O-N 3.16Å; D88-K91 PolarHBondContact O-N 3.02Å; D88-A97 HydrophobicContact CB-CB 4.12Å; D88-A97 PolarHBondContact O-N 3.41Å; D88-A97 WeakPolarHBondContact OD2-CB 3.44Å
89A95.5Very high96.2Very high7 Ų762.3 Ų62.36%0.05833%0.331CS..G310 helixtrans-63.6-18.2176.200000112.8W98 V107A89-W98 VanDerWaalsContact O-CE3 3.25Å; A89-V107 HydrophobicContact CB-CG2 4.49Å
90L96.6Very high96.1Very high28 Ų2864.8 Ų64.815%0.14735%0.347CS..G310 helixtrans-97.60.8176.8-63.9175.2000113.1P65 P66 I68 I85 H87 D88 V107 I111P65-L90 WeakPolarHBondContact CG-O 3.41Å; P66-L90 HydrophobicContact CG-CD2 4.43Å; P66-L90 WeakPolarHBondContact O-CD2 3.5Å; I68-L90 HydrophobicContact CB-CD1 4.38Å; I68-L90 HydrophobicContact CB-CD2 4.22Å; I68-L90 HydrophobicContact CD1-CD2 4.02Å; I68-L90 HydrophobicContact CG1-CD2 3.96Å; I85-L90 HydrophobicContact CB-CD1 3.94Å; I85-L90 HydrophobicContact CD1-CD1 4.28Å; I85-L90 HydrophobicContact CG2-CD1 4.16Å; H87-L90 HydrophobicContact CB-CD1 4.21Å; H87-L90 HydrophobicContact CB-CG 4.4Å; H87-L90 PolarHBondContact O-N 2.98Å; D88-L90 PolarHBondContact O-N 2.7Å; D88-L90 VanDerWaalsContact O-N 3.16Å; L90-V107 HydrophobicContact CD2-CG1 3.52Å; L90-V107 HydrophobicContact CG-CG1 4.23Å; L90-I111 HydrophobicContact CD1-CD1 4.36Å
91K95.4Very high96Very high71 Ų7168.5 Ų68.531%0.30938%0.375SS..SBendtrans-116.7139.6-176.9-68.5173.8-172173.70110.4C86 D88 G96 A97 W98 D122C86-K91 PolarHBondContact SG-NZ 3.23Å; D88-K91 PolarHBondContact O-N 3.02Å; K91-G96 CarbonylContact O-C 3.59Å; K91-G96 WeakPolarHBondContact O-CA 3.43Å; K91-A97 PolarHBondContact O-N 2.82Å; K91-W98 VanDerWaalsContact O-CB 3.23Å; K91-W98 WeakPolarHBondContact O-CB 3.27Å; K91-W98 PolarHBondContact O-N 3.49Å; K91-D122 IonicContact NZ-OD2 3.12Å; K91-D122 PolarHBondContact NZ-OD2 2.82Å
92L96.1Very high96.1Very high79 Ų7964 Ų6441%0.41435%0.351SS..  trans-71.5149.5173.7-73.3171.1000111.6F63 E64 K95 G96 W98F63-L92 WeakPolarHBondContact O-CD2 3.43Å; E64-L92 HydrophobicContact CG-CD1 4.47Å; L92-K95 PolarHBondContact O-N 3.02Å; L92-G96 PolarHBondContact O-N 3.44Å; L92-G96 VanDerWaalsContact O-N 3.09Å; L92-W98 HydrophobicContact CD2-CG 4.45Å
93P95.2Very high96.1Very high78 Ų7862.1 Ų62.151%0.50633%0.334SS..THydrogen-bonded Turntrans-56.1149.6167.6-24.334.4000111.9W98P93-W98 WeakPolarHBondContact CD-O 3.33Å
94P94.4Very high96.1Very high134 Ų13461.9 Ų61.987%0.8733%0.331SS*.THydrogen-bonded Turncis-85.3-6.65.634.2-36.4000114.3
95K91.1Very high96Very high188 Ų18855.9 Ų55.982%0.81731%0.314SS*.SBendtrans-86.3-6.9-174.4-65.4-173.9178.2-177.60114.1L92L92-K95 PolarHBondContact O-N 3.02Å
96G93.8Very high96Very high16 Ų1657.6 Ų57.617%0.16533%0.325CS..SBendtrans-145.3-178.8-179.800000112.2K91 L92K91-G96 CarbonylContact O-C 3.59Å; K91-G96 WeakPolarHBondContact O-CA 3.43Å; L92-G96 PolarHBondContact O-N 3.44Å; L92-G96 VanDerWaalsContact O-N 3.09Å
97A96.1Very high96.1Very high39 Ų3957.2 Ų57.232%0.32232%0.322SS..  trans-111.96.5-172.600000113D88 K91 K99D88-A97 HydrophobicContact CB-CB 4.12Å; D88-A97 PolarHBondContact O-N 3.41Å; D88-A97 WeakPolarHBondContact OD2-CB 3.44Å; K91-A97 PolarHBondContact O-N 2.82Å; A97-K99 PolarHBondContact O-N 3.16Å
98W98Very high96.2Very high4 Ų456 Ų562%0.01532%0.317CS..  trans-57.6128.7176.8178.2-101.9000111Y61 P62 P65 A89 K91 L92 P93 L102 V107Y61-W98 HydrophobicContact CD2-CZ2 4.23Å; Y61-W98 AromaticContact CE2-CH2 3.66Å; Y61-W98 HydrophobicContact CE2-CH2 3.66Å; Y61-W98 AromaticContact CE2-CZ2 3.7Å; Y61-W98 HydrophobicContact CE2-CZ2 3.7Å; P62-W98 HydrophobicContact CB-CZ2 4.47Å; P62-W98 WeakPolarHBondContact O-CZ2 3.36Å; P62-W98 PolarHBondContact O-NE1 3.23Å; P65-W98 VanDerWaalsContact CA-CE2 3.43Å; P65-W98 HydrophobicContact CB-CB 4.15Å; P65-W98 HydrophobicContact CB-CD2 3.53Å; P65-W98 HydrophobicContact CB-CE3 3.86Å; P65-W98 HydrophobicContact CB-CG 3.66Å; P65-W98 HydrophobicContact CG-CB 4.4Å; P65-W98 HydrophobicContact CG-CD2 4.48Å; P65-W98 HydrophobicContact CG-CG 4.14Å; A89-W98 VanDerWaalsContact O-CE3 3.25Å; K91-W98 VanDerWaalsContact O-CB 3.23Å; K91-W98 WeakPolarHBondContact O-CB 3.27Å; K91-W98 PolarHBondContact O-N 3.49Å; L92-W98 HydrophobicContact CD2-CG 4.45Å; P93-W98 WeakPolarHBondContact CD-O 3.33Å; W98-L102 HydrophobicContact CE3-CB 3.95Å; W98-L102 HydrophobicContact CE3-CD1 4.08Å; W98-L102 HydrophobicContact CH2-CB 4.21Å; W98-L102 WeakPolarHBondContact CH2-O 3.45Å; W98-L102 HydrophobicContact CZ3-CB 3.63Å; W98-V107 HydrophobicContact CE3-CG2 4.21Å; W98-V107 HydrophobicContact CZ3-CG2 3.62Å
99K96.9Very high96.4Very high128 Ų12855 Ų5556%0.55731%0.313SS*.  trans-132.3146.2171.5-67176.4-175.4174.40107.9A97 S101 L102A97-K99 PolarHBondContact O-N 3.16Å; K99-S101 PolarHBondContact O-N 2.79Å; K99-L102 WeakPolarHBondContact O-CB 3.34Å; K99-L102 PolarHBondContact O-N 2.83Å
100P96.6Very high96.5Very high53 Ų5356.3 Ų56.334%0.34432%0.323SS..THydrogen-bonded Turntrans-57.2-17.3175.2-25.334000114R6 P62 F63 L102R6-P100 VanDerWaalsContact CZ-O 3.26Å; R6-P100 PolarHBondContact NH1-O 2.89Å; R6-P100 PolarHBondContact NH2-O 3.35Å; P62-P100 HydrophobicContact CB-CB 4.26Å; P62-P100 HydrophobicContact CG-CB 4.15Å; P62-P100 WeakPolarHBondContact O-CA 3.33Å; F63-P100 HydrophobicContact CD1-CB 4.43Å; F63-P100 HydrophobicContact CD1-CG 3.84Å; F63-P100 HydrophobicContact CE1-CG 4.36Å; P100-L102 VanDerWaalsContact C-N 3.33Å
101S95.9Very high96.6Very high97 Ų9755 Ų5568%0.67832%0.316SS*.THydrogen-bonded Turntrans-71.9-23.5173.255.70000113.9K99K99-S101 PolarHBondContact O-N 2.79Å
102L97.3Very high96.8Very high49 Ų4953.9 Ų53.926%0.25731%0.312SS..  trans-73.5153.1173.2-60.2-179.7000110.2R6 W98 K99 P100R6-L102 PolarHBondContact NH2-O 3.07Å; W98-L102 HydrophobicContact CE3-CB 3.95Å; W98-L102 HydrophobicContact CE3-CD1 4.08Å; W98-L102 HydrophobicContact CH2-CB 4.21Å; W98-L102 WeakPolarHBondContact CH2-O 3.45Å; W98-L102 HydrophobicContact CZ3-CB 3.63Å; K99-L102 WeakPolarHBondContact O-CB 3.34Å; K99-L102 PolarHBondContact O-N 2.83Å; P100-L102 VanDerWaalsContact C-N 3.33Å
103N97.3Very high96.8Very high38 Ų3854.6 Ų54.620%0.20332%0.315CS..  trans-133.1170.9-176.267.143.3000111.3E10 S105 T106 V107E10-N103 VanDerWaalsContact CD-CB 3.47Å; E10-N103 HydrophobicContact CG-CB 4.27Å; E10-N103 VanDerWaalsContact OE2-CB 3.32Å; E10-N103 WeakPolarHBondContact OE2-CB 3.31Å; N103-S105 VanDerWaalsContact C-N 3.28Å; N103-S105 PolarHBondContact O-N 2.92Å; N103-S105 WeakPolarHBondContact OD1-CB 3.41Å; N103-S105 PolarHBondContact OD1-N 3.36Å; N103-S105 VanDerWaalsContact OD1-N 3.15Å; N103-T106 PolarHBondContact N-OG1 2.83Å; N103-T106 PolarHBondContact O-N 3.04Å; N103-T106 PolarHBondContact O-OG1 2.86Å; N103-T106 WeakPolarHBondContact OD1-CG2 3.37Å; N103-T106 PolarHBondContact OD1-N 3.31Å; N103-T106 PolarHBondContact OD1-OG1 3.27Å; N103-V107 WeakPolarHBondContact O-CG2 3.39Å; N103-V107 PolarHBondContact O-N 3.42Å; N103-V107 VanDerWaalsContact O-N 3.1Å
104I97.9Very high97Very high0 Ų051.6 Ų51.60%030%0.295CS..Hα-helixtrans-57.1-43.5-176.3-63.5160.8000111.3L7 E10 L14 L34 V55 I57 T106 V107 L108L7-I104 HydrophobicContact CD1-CD1 3.73Å; E10-I104 HydrophobicContact CB-CD1 4.48Å; E10-I104 WeakPolarHBondContact OE2-CG1 3.42Å; E10-I104 PolarHBondContact OE2-N 3.19Å; L14-I104 HydrophobicContact CD1-CB 4.12Å; L14-I104 HydrophobicContact CD1-CG2 3.89Å; L34-I104 HydrophobicContact CD1-CD1 3.8Å; V55-I104 HydrophobicContact CG1-CG2 4.39Å; I57-I104 HydrophobicContact CD1-CD1 3.69Å; I57-I104 HydrophobicContact CD1-CG1 4.09Å; I104-T106 PolarHBondContact O-N 2.98Å; I104-V107 PolarHBondContact O-N 3.08Å; I104-L108 HydrophobicContact CG2-CD1 3.84Å; I104-L108 HydrophobicContact CG2-CG 4.3Å; I104-L108 WeakPolarHBondContact O-CG 3.39Å; I104-L108 PolarHBondContact O-N 2.9Å
105S97.6Very high97.2Very high32 Ų3245.4 Ų45.422%0.22425%0.254CS..Hα-helixtrans-57-51.6177.7175.70000111.6P19 N103 V107 L108 T109P19-S105 WeakPolarHBondContact CG-OG 3.26Å; N103-S105 VanDerWaalsContact C-N 3.28Å; N103-S105 PolarHBondContact O-N 2.92Å; N103-S105 WeakPolarHBondContact OD1-CB 3.41Å; N103-S105 PolarHBondContact OD1-N 3.36Å; N103-S105 VanDerWaalsContact OD1-N 3.15Å; S105-V107 VanDerWaalsContact C-N 3.31Å; S105-V107 PolarHBondContact O-N 2.83Å; S105-L108 PolarHBondContact O-N 3.46Å; S105-T109 PolarHBondContact O-N 2.98Å; S105-T109 PolarHBondContact O-OG1 3.09Å; S105-T109 VanDerWaalsContact O-OG1 3.05Å
106T97.6Very high97.5Very high57 Ų5738.9 Ų38.935%0.3524%0.236SC..Hα-helixtrans-61.2-37179.1540000113.1N103 I104 S110N103-T106 PolarHBondContact N-OG1 2.83Å; N103-T106 PolarHBondContact O-N 3.04Å; N103-T106 PolarHBondContact O-OG1 2.86Å; N103-T106 WeakPolarHBondContact OD1-CG2 3.37Å; N103-T106 PolarHBondContact OD1-N 3.31Å; N103-T106 PolarHBondContact OD1-OG1 3.27Å; I104-T106 PolarHBondContact O-N 2.98Å; T106-S110 WeakPolarHBondContact O-CB 3.4Å; T106-S110 PolarHBondContact O-N 3.18Å
107V98.2Very high97.6Very high1 Ų144.6 Ų44.61%0.00626%0.258CS..Hα-helixtrans-70-44.5178.3176.50000110.8I68 A89 L90 W98 N103 I104 S105 T109 S110 I111I68-V107 HydrophobicContact CD1-CB 4.46Å; I68-V107 HydrophobicContact CD1-CG1 3.63Å; A89-V107 HydrophobicContact CB-CG2 4.49Å; L90-V107 HydrophobicContact CD2-CG1 3.52Å; L90-V107 HydrophobicContact CG-CG1 4.23Å; W98-V107 HydrophobicContact CE3-CG2 4.21Å; W98-V107 HydrophobicContact CZ3-CG2 3.62Å; N103-V107 WeakPolarHBondContact O-CG2 3.39Å; N103-V107 PolarHBondContact O-N 3.42Å; N103-V107 VanDerWaalsContact O-N 3.1Å; I104-V107 PolarHBondContact O-N 3.08Å; S105-V107 VanDerWaalsContact C-N 3.31Å; S105-V107 PolarHBondContact O-N 2.83Å; V107-T109 PolarHBondContact O-N 2.86Å; V107-S110 PolarHBondContact O-N 3.03Å; V107-S110 VanDerWaalsContact O-N 3.14Å; V107-I111 HydrophobicContact CG1-CD1 4.05Å; V107-I111 WeakPolarHBondContact O-CG1 3.45Å; V107-I111 PolarHBondContact O-N 3.22Å
108L98.6Very high97.7Very high0 Ų043.6 Ų43.60%025%0.248CC..Hα-helixtrans-62.6-41.6177-70173.2000111.7I22 C24 A36 I38 V55 I68 I104 S105 S110 I111 Q112I22-L108 HydrophobicContact CD1-CB 4.21Å; I22-L108 HydrophobicContact CG2-CB 3.9Å; I22-L108 HydrophobicContact CG2-CD1 3.88Å; I22-L108 HydrophobicContact CG2-CG 4.49Å; C24-L108 HydrophobicContact CB-CD1 3.81Å; A36-L108 HydrophobicContact CB-CD1 3.9Å; A36-L108 HydrophobicContact CB-CD2 3.92Å; I38-L108 HydrophobicContact CD1-CD2 4.43Å; V55-L108 HydrophobicContact CG2-CD2 4.28Å; I68-L108 HydrophobicContact CD1-CD2 4.19Å; I104-L108 HydrophobicContact CG2-CD1 3.84Å; I104-L108 HydrophobicContact CG2-CG 4.3Å; I104-L108 WeakPolarHBondContact O-CG 3.39Å; I104-L108 PolarHBondContact O-N 2.9Å; S105-L108 PolarHBondContact O-N 3.46Å; L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 3.16Å; L108-I111 PolarHBondContact O-N 2.95Å; L108-Q112 PolarHBondContact O-N 3.29Å
109T98.3Very high97.5Very high55 Ų5546.8 Ų46.834%0.33727%0.265SS..Hα-helixtrans-60-40.9172.6-56.90000111.6I22 S105 V107 I111 Q112 L113I22-T109 VanDerWaalsContact CD1-CA 3.49Å; S105-T109 PolarHBondContact O-N 2.98Å; S105-T109 PolarHBondContact O-OG1 3.09Å; S105-T109 VanDerWaalsContact O-OG1 3.05Å; V107-T109 PolarHBondContact O-N 2.86Å; T109-I111 VanDerWaalsContact C-N 3.34Å; T109-I111 PolarHBondContact O-N 2.7Å; T109-Q112 WeakPolarHBondContact O-CB 3.35Å; T109-Q112 PolarHBondContact O-N 2.89Å; T109-L113 PolarHBondContact O-N 3.45Å
110S98.1Very high97.4Very high36 Ų3641.9 Ų41.925%0.25225%0.246SC..Hα-helixtrans-69.4-31.9178-161.80000112.7H87 T106 V107 L108 L113 L114H87-S110 PolarHBondContact CE1-OG 3.1Å; H87-S110 WeakPolarHBondContact NE2-CB 3.4Å; H87-S110 PolarHBondContact NE2-OG 3.44Å; T106-S110 WeakPolarHBondContact O-CB 3.4Å; T106-S110 PolarHBondContact O-N 3.18Å; V107-S110 PolarHBondContact O-N 3.03Å; V107-S110 VanDerWaalsContact O-N 3.14Å; L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 3.16Å; S110-L113 PolarHBondContact O-N 2.8Å; S110-L114 PolarHBondContact O-N 3.33Å
111I98.6Very high97.1Very high0 Ų045.3 Ų45.30%026%0.262CS..Hα-helixtrans-68.2-41.1170.6-67.5164.3000111.1I38 L53 I68 F70 I85 L90 V107 L108 T109 L113 L114 M115I38-I111 HydrophobicContact CD1-CB 4.29Å; I38-I111 HydrophobicContact CD1-CG2 3.9Å; L53-I111 HydrophobicContact CD2-CG2 4.36Å; I68-I111 HydrophobicContact CB-CD1 4.25Å; I68-I111 HydrophobicContact CD1-CD1 3.95Å; I68-I111 HydrophobicContact CG2-CD1 3.83Å; F70-I111 HydrophobicContact CE2-CG2 3.89Å; F70-I111 HydrophobicContact CZ-CG2 3.81Å; I85-I111 HydrophobicContact CD1-CD1 3.85Å; I85-I111 HydrophobicContact CD1-CG1 4.32Å; I85-I111 HydrophobicContact CD1-CG2 4.29Å; L90-I111 HydrophobicContact CD1-CD1 4.36Å; V107-I111 HydrophobicContact CG1-CD1 4.05Å; V107-I111 WeakPolarHBondContact O-CG1 3.45Å; V107-I111 PolarHBondContact O-N 3.22Å; L108-I111 PolarHBondContact O-N 2.95Å; T109-I111 VanDerWaalsContact C-N 3.34Å; T109-I111 PolarHBondContact O-N 2.7Å; I111-L113 VanDerWaalsContact C-N 3.28Å; I111-L113 PolarHBondContact O-N 3.24Å; I111-L114 WeakPolarHBondContact O-CB 3.47Å; I111-L114 PolarHBondContact O-N 3.41Å; I111-M115 WeakPolarHBondContact O-CG 3.47Å; I111-M115 PolarHBondContact O-N 3.45Å
112Q98.4Very high96.9Very high48 Ų4844.4 Ų44.422%0.22425%0.25CC..Hα-helixtrans-60.3-40.2173.9-176.3-173.755.200111.2P20 I22 I38 L108 T109 M115 A116P20-Q112 PolarHBondContact O-NE2 3.05Å; P20-Q112 VanDerWaalsContact O-NE2 3.11Å; I22-Q112 HydrophobicContact CD1-CB 4.16Å; I38-Q112 HydrophobicContact CG2-CB 3.85Å; I38-Q112 HydrophobicContact CG2-CG 3.77Å; L108-Q112 PolarHBondContact O-N 3.29Å; T109-Q112 WeakPolarHBondContact O-CB 3.35Å; T109-Q112 PolarHBondContact O-N 2.89Å; Q112-M115 WeakPolarHBondContact O-CB 3.26Å; Q112-M115 PolarHBondContact O-N 3.35Å; Q112-A116 PolarHBondContact O-N 2.99Å
113L98Very high96.8Very high93 Ų9344.3 Ų44.349%0.48725%0.252SS..Hα-helixtrans-64.6-42.9173.3-177.862.4000111.7T109 S110 I111 M115 A116 E117T109-L113 PolarHBondContact O-N 3.45Å; S110-L113 PolarHBondContact O-N 2.8Å; I111-L113 VanDerWaalsContact C-N 3.28Å; I111-L113 PolarHBondContact O-N 3.24Å; L113-M115 PolarHBondContact O-N 3.25Å; L113-A116 WeakPolarHBondContact O-CB 3.04Å; L113-A116 PolarHBondContact O-N 3.45Å; L113-E117 HydrophobicContact CD1-CG 4.32Å; L113-E117 PolarHBondContact O-N 2.7Å
114L98.2Very high96.7Very high15 Ų1545.9 Ų45.98%0.07926%0.26CS..Hα-helixtrans-57.9-37.9175.4-18065.6000111.9H76 N78 I85 H87 S110 I111 A116 E117H76-L114 PolarHBondContact NE2-O 2.93Å; N78-L114 HydrophobicContact CB-CD1 4.31Å; N78-L114 HydrophobicContact CB-CD2 4.17Å; I85-L114 HydrophobicContact CG2-CD2 3.86Å; H87-L114 HydrophobicContact CB-CD2 4.16Å; S110-L114 PolarHBondContact O-N 3.33Å; I111-L114 WeakPolarHBondContact O-CB 3.47Å; I111-L114 PolarHBondContact O-N 3.41Å; L114-A116 VanDerWaalsContact C-N 3.31Å; L114-A116 PolarHBondContact O-N 3.48Å; L114-E117 CarbonylContact O-C 3.59Å; L114-E117 PolarHBondContact O-N 2.74Å
115M98.4Very high96.7Very high5 Ų548 Ų483%0.02527%0.27CS..Hα-helixtrans-61.9-38.9173.8-66.916960.500111.8I38 Y46 F51 F70 I74 I111 Q112 L113I38-M115 HydrophobicContact CB-SD 4.47Å; I38-M115 HydrophobicContact CG2-CE 4.49Å; I38-M115 HydrophobicContact CG2-SD 3.9Å; Y46-M115 HydrophobicContact CD2-CB 4.24Å; Y46-M115 WeakPolarHBondContact CD2-O 3.13Å; Y46-M115 HydrophobicContact CE2-CB 4.48Å; Y46-M115 WeakPolarHBondContact CE2-O 3.36Å; Y46-M115 HydrophobicContact CG-CE 4.27Å; F51-M115 HydrophobicContact CD2-CE 3.49Å; F51-M115 VanDerWaalsContact CD2-CE 3.49Å; F51-M115 HydrophobicContact CE2-CE 3.69Å; F51-M115 HydrophobicContact CG-CE 3.96Å; F51-M115 HydrophobicContact CZ-CE 4.29Å; F70-M115 HydrophobicContact CE1-SD 4.14Å; F70-M115 HydrophobicContact CZ-CG 4.27Å; F70-M115 HydrophobicContact CZ-SD 3.95Å; I74-M115 HydrophobicContact CD1-CE 4.05Å; I74-M115 HydrophobicContact CD1-CG 4.27Å; I111-M115 WeakPolarHBondContact O-CG 3.47Å; I111-M115 PolarHBondContact O-N 3.45Å; Q112-M115 WeakPolarHBondContact O-CB 3.26Å; Q112-M115 PolarHBondContact O-N 3.35Å; L113-M115 PolarHBondContact O-N 3.25Å
116A97.3Very high96.7Very high51 Ų5149.4 Ų49.442%0.42128%0.284SS..Hα-helixtrans-74.8-35.1177.500000112.4T44 Q112 L113 L114 P118T44-A116 HydrophobicContact CG2-CB 3.99Å; Q112-A116 PolarHBondContact O-N 2.99Å; L113-A116 WeakPolarHBondContact O-CB 3.04Å; L113-A116 PolarHBondContact O-N 3.45Å; L114-A116 VanDerWaalsContact C-N 3.31Å; L114-A116 PolarHBondContact O-N 3.48Å; A116-P118 WeakPolarHBondContact O-CD 3.5Å
117E96.9Very high96.7Very high136 Ų13653.1 Ų53.164%0.63630%0.302SS*.SBendtrans-127.179.1-173.4-61.8-177.7176.900110.8L113 L114L113-E117 HydrophobicContact CD1-CG 4.32Å; L113-E117 PolarHBondContact O-N 2.7Å; L114-E117 CarbonylContact O-C 3.59Å; L114-E117 PolarHBondContact O-N 2.74Å
118P97.3Very high96.7Very high17 Ų1753.7 Ų53.711%0.1131%0.305CS..  trans-59.5144.3177.2-22.531.9000111.9P77 A116 P120 F132P77-P118 HydrophobicContact CG-CB 3.85Å; A116-P118 WeakPolarHBondContact O-CD 3.5Å; P118-P120 VanDerWaalsContact O-CD 3.23Å; P118-P120 WeakPolarHBondContact O-CD 3.36Å; P118-F132 HydrophobicContact CB-CE1 4.3Å; P118-F132 HydrophobicContact CB-CE2 4.26Å; P118-F132 HydrophobicContact CB-CZ 4.08Å; P118-F132 HydrophobicContact CG-CD2 4.35Å; P118-F132 HydrophobicContact CG-CE2 3.8Å; P118-F132 HydrophobicContact CG-CZ 3.98Å
119N95Very high96.7Very high71 Ų7153.9 Ų53.938%0.3831%0.306SS..  trans-100.399.4174.4179-0.2000110.3N78 D121N78-N119 PolarHBondContact ND2-O 3.5Å; N78-N119 PolarHBondContact OD1-N 3.29Å; N78-N119 PolarHBondContact OD1-O 3.24Å; N119-D121 PolarHBondContact O-N 2.85Å; N119-D121 PolarHBondContact OD1-N 3.07Å
120P93.4Very high96.6Very high25 Ų2554 Ų5416%0.16231%0.309CS..THydrogen-bonded Turntrans-79-2.9-175.536.5-40.2000114P118 S129 F132 K133P118-P120 VanDerWaalsContact O-CD 3.23Å; P118-P120 WeakPolarHBondContact O-CD 3.36Å; P120-S129 WeakPolarHBondContact CA-OG 3.43Å; P120-S129 WeakPolarHBondContact CB-OG 3.29Å; P120-S129 PolarHBondContact O-OG 3.26Å; P120-F132 HydrophobicContact CB-CD1 3.97Å; P120-F132 HydrophobicContact CB-CE1 4.41Å; P120-F132 HydrophobicContact CG-CD1 4.2Å; P120-F132 HydrophobicContact CG-CE1 4.17Å; P120-K133 HydrophobicContact CB-CD 3.78Å; P120-K133 VanDerWaalsContact CB-CE 3.43Å; P120-K133 HydrophobicContact CB-CG 3.71Å; P120-K133 HydrophobicContact CG-CD 4.32Å; P120-K133 HydrophobicContact CG-CG 4.09Å; P120-K133 PolarHBondContact O-NZ 2.97Å
121D91Very high96.6Very high126 Ų12653.5 Ų53.567%0.67430%0.302SS*.THydrogen-bonded Turntrans-90.5-19.3-178.7-61.3-31.1000113.3N119 P123 K133N119-D121 PolarHBondContact O-N 2.85Å; N119-D121 PolarHBondContact OD1-N 3.07Å; D121-P123 VanDerWaalsContact C-CD 3.41Å; D121-K133 IonicContact OD1-NZ 2.7Å; D121-K133 PolarHBondContact OD1-NZ 3.24Å
122D91.3Very high96.6Very high78 Ų7855.1 Ų55.142%0.41731%0.31SS..SBendtrans-125.762.9169.7-168.520000111.4N78 C86 K91N78-D122 PolarHBondContact ND2-O 3.27Å; C86-D122 VanDerWaalsContact SG-CG 3.55Å; C86-D122 PolarHBondContact SG-OD2 3.37Å; K91-D122 IonicContact NZ-OD2 3.12Å; K91-D122 PolarHBondContact NZ-OD2 2.82Å
123P94.9Very high96.5Very high46 Ų4657.1 Ų57.130%0.29932%0.318SS..  trans-80.3146.3-174.634.4-35.8000112.6D121 S129D121-P123 VanDerWaalsContact C-CD 3.41Å; P123-S129 VanDerWaalsContact CB-CB 3.45Å
124L96.3Very high96.5Very high71 Ų7162 Ų6237%0.37233%0.331SS..SBendtrans-86.8-29.8162.6-68-177000111.8P77 N78 D80 R84 C86P77-L124 PolarHBondContact O-N 2.79Å; N78-L124 WeakPolarHBondContact O-CD1 3.48Å; D80-L124 HydrophobicContact CB-CB 4.34Å; D80-L124 HydrophobicContact CB-CD1 4.37Å; R84-L124 VanDerWaalsContact O-CD1 3.28Å; R84-L124 WeakPolarHBondContact O-CD1 3.5Å; C86-L124 HydrophobicContact CB-CD1 3.77Å; C86-L124 HydrophobicContact CB-CD2 3.82Å; C86-L124 HydrophobicContact CB-CG 3.5Å; C86-L124 VanDerWaalsContact CB-CG 3.5Å
125M97.8Very high96.5Very high45 Ų4564.9 Ų64.922%0.22235%0.346CS..  trans-114.692.2-178.3-61.4-59.3-68.400109.1P77 I79 D80 N81 D127 I128 S129P77-M125 PolarHBondContact O-N 3.1Å; I79-M125 WeakPolarHBondContact O-CG 3.35Å; D80-M125 HydrophobicContact CB-SD 3.98Å; N81-M125 WeakPolarHBondContact OD1-CE 3.49Å; M125-D127 VanDerWaalsContact C-N 3.31Å; M125-D127 PolarHBondContact O-N 3.47Å; M125-I128 HydrophobicContact CB-CB 3.91Å; M125-I128 HydrophobicContact CB-CD1 3.74Å; M125-I128 HydrophobicContact CB-CG1 3.81Å; M125-I128 HydrophobicContact CE-CD1 4.23Å; M125-I128 HydrophobicContact CG-CD1 4Å; M125-I128 PolarHBondContact O-N 3.41Å; M125-S129 WeakPolarHBondContact O-CB 3.19Å; M125-S129 PolarHBondContact O-N 2.9Å
126A97.5Very high96.4Very high62 Ų6270.9 Ų70.951%0.51237%0.372SS..Hα-helixtrans-59.3-39.2-174.500000113.1S129 S130A126-S129 PolarHBondContact O-N 3.04Å; A126-S130 WeakPolarHBondContact O-CB 3.48Å; A126-S130 PolarHBondContact O-N 3.33Å; A126-S130 PolarHBondContact O-OG 3.1Å
127D97.4Very high96.4Very high135 Ų13573.2 Ų73.272%0.72238%0.384SS*.Hα-helixtrans-66.1-45.3179-60.2-19.2000111.3M125 S129 S130 E131M125-D127 VanDerWaalsContact C-N 3.31Å; M125-D127 PolarHBondContact O-N 3.47Å; D127-S129 VanDerWaalsContact C-N 3.33Å; D127-S129 PolarHBondContact O-N 3.27Å; D127-S130 PolarHBondContact O-N 3.02Å; D127-E131 PolarHBondContact O-N 2.9Å
128I98.1Very high96.5Very high13 Ų1369.4 Ų69.47%0.06737%0.368CS..Hα-helixtrans-65.9-39177.7-53.7-176.5000110.3Y75 P77 M125 E131 F132 F139Y75-I128 HydrophobicContact CD1-CG2 4.04Å; Y75-I128 HydrophobicContact CD2-CD1 3.81Å; Y75-I128 HydrophobicContact CE1-CD1 4.42Å; Y75-I128 HydrophobicContact CE1-CG1 4.29Å; Y75-I128 HydrophobicContact CE1-CG2 3.67Å; Y75-I128 HydrophobicContact CE2-CD1 3.59Å; Y75-I128 HydrophobicContact CE2-CG1 3.83Å; Y75-I128 HydrophobicContact CG-CD1 4.29Å; P77-I128 HydrophobicContact CG-CG2 4.04Å; M125-I128 HydrophobicContact CB-CB 3.91Å; M125-I128 HydrophobicContact CB-CD1 3.74Å; M125-I128 HydrophobicContact CB-CG1 3.81Å; M125-I128 HydrophobicContact CE-CD1 4.23Å; M125-I128 HydrophobicContact CG-CD1 4Å; M125-I128 PolarHBondContact O-N 3.41Å; I128-E131 PolarHBondContact O-N 2.94Å; I128-F132 WeakPolarHBondContact O-CB 3.28Å; I128-F132 PolarHBondContact O-N 2.74Å; I128-F139 HydrophobicContact CG2-CD2 3.94Å; I128-F139 HydrophobicContact CG2-CE2 3.74Å
129S97.9Very high96.6Very high4 Ų468.8 Ų68.83%0.02836%0.364CS..Hα-helixtrans-63.2-43.7175.4-174.30000112.3P120 P123 M125 A126 D127 E131 F132 K133P120-S129 WeakPolarHBondContact CA-OG 3.43Å; P120-S129 WeakPolarHBondContact CB-OG 3.29Å; P120-S129 PolarHBondContact O-OG 3.26Å; P123-S129 VanDerWaalsContact CB-CB 3.45Å; M125-S129 WeakPolarHBondContact O-CB 3.19Å; M125-S129 PolarHBondContact O-N 2.9Å; A126-S129 PolarHBondContact O-N 3.04Å; D127-S129 VanDerWaalsContact C-N 3.33Å; D127-S129 PolarHBondContact O-N 3.27Å; S129-E131 VanDerWaalsContact C-N 3.34Å; S129-F132 PolarHBondContact O-N 3.34Å; S129-K133 WeakPolarHBondContact O-CB 3.23Å; S129-K133 WeakPolarHBondContact O-CG 3.4Å; S129-K133 PolarHBondContact O-N 3.43Å
130S97.8Very high96.7Very high56 Ų5667.3 Ų67.339%0.39236%0.357SS..Hα-helixtrans-63-43.2176.2-590000110.8A126 D127 K133 Y134A126-S130 WeakPolarHBondContact O-CB 3.48Å; A126-S130 PolarHBondContact O-N 3.33Å; A126-S130 PolarHBondContact O-OG 3.1Å; D127-S130 PolarHBondContact O-N 3.02Å; S130-K133 PolarHBondContact O-N 3.01Å; S130-Y134 WeakPolarHBondContact O-CD2 3.37Å; S130-Y134 PolarHBondContact O-N 2.86Å
131E98Very high97Very high26 Ų2672.3 Ų72.312%0.12138%0.378CS..Hα-helixtrans-62.6-43.4174.8-168.5176.287.400112Y75 D127 I128 S129 K133 N135 L138 F139 K142Y75-E131 PolarHBondContact OH-OE1 2.8Å; D127-E131 PolarHBondContact O-N 2.9Å; I128-E131 PolarHBondContact O-N 2.94Å; S129-E131 VanDerWaalsContact C-N 3.34Å; E131-K133 VanDerWaalsContact C-N 3.33Å; E131-K133 PolarHBondContact O-N 3.08Å; E131-N135 HydrophobicContact CG-CB 4.47Å; E131-N135 CarbonylContact O-C 2.97Å; E131-N135 VanDerWaalsContact O-CA 3.26Å; E131-N135 WeakPolarHBondContact O-CA 3.42Å; E131-N135 PolarHBondContact O-N 3.01Å; E131-N135 VanDerWaalsContact O-O 3.08Å; E131-L138 HydrophobicContact CG-CB 4.35Å; E131-L138 HydrophobicContact CG-CD2 4.23Å; E131-L138 HydrophobicContact CG-CG 4.3Å; E131-L138 WeakPolarHBondContact OE2-CD2 3.28Å; E131-L138 WeakPolarHBondContact OE2-CG 3.42Å; E131-F139 HydrophobicContact CG-CB 4.14Å; E131-F139 VanDerWaalsContact OE1-CA 3.29Å; E131-F139 WeakPolarHBondContact OE1-CA 3.28Å; E131-K142 WeakPolarHBondContact OE1-CD 3.38Å; E131-K142 IonicContact OE1-NZ 3.39Å; E131-K142 IonicContact OE2-NZ 3.64Å; E131-K142 PolarHBondContact OE2-NZ 3.08Å
132F97.8Very high97.3Very high35 Ų3570 Ų7015%0.15436%0.362CS..Hα-helixtrans-59.8-42.1174.9178.3-99.8000112.4P77 P118 P120 I128 S129 F139P77-F132 HydrophobicContact CG-CB 4.12Å; P77-F132 HydrophobicContact CG-CG 4.34Å; P118-F132 HydrophobicContact CB-CE1 4.3Å; P118-F132 HydrophobicContact CB-CE2 4.26Å; P118-F132 HydrophobicContact CB-CZ 4.08Å; P118-F132 HydrophobicContact CG-CD2 4.35Å; P118-F132 HydrophobicContact CG-CE2 3.8Å; P118-F132 HydrophobicContact CG-CZ 3.98Å; P120-F132 HydrophobicContact CB-CD1 3.97Å; P120-F132 HydrophobicContact CB-CE1 4.41Å; P120-F132 HydrophobicContact CG-CD1 4.2Å; P120-F132 HydrophobicContact CG-CE1 4.17Å; I128-F132 WeakPolarHBondContact O-CB 3.28Å; I128-F132 PolarHBondContact O-N 2.74Å; S129-F132 PolarHBondContact O-N 3.34Å; F132-F139 HydrophobicContact CB-CD2 4.09Å; F132-F139 HydrophobicContact CB-CE2 4.46Å; F132-F139 HydrophobicContact CB-CG 4.2Å; F132-F139 AromaticContact CD2-CD1 3.61Å; F132-F139 HydrophobicContact CD2-CD1 3.61Å; F132-F139 HydrophobicContact CD2-CD2 4.31Å; F132-F139 AromaticContact CD2-CE1 3.57Å; F132-F139 HydrophobicContact CD2-CE1 3.57Å; F132-F139 HydrophobicContact CD2-CE2 4.29Å; F132-F139 AromaticContact CD2-CG 3.98Å; F132-F139 HydrophobicContact CD2-CG 3.98Å; F132-F139 AromaticContact CD2-CZ 3.92Å; F132-F139 HydrophobicContact CD2-CZ 3.92Å; F132-F139 HydrophobicContact CE2-CD1 4.31Å; F132-F139 HydrophobicContact CE2-CE1 4.02Å
133K97.2Very high97.7Very high90 Ų9066.2 Ų66.239%0.39134%0.342SS..Hα-helixtrans-69.5-45.3-179.7-81.9173.5151.2157.10112.9P120 D121 S129 S130 E131P120-K133 HydrophobicContact CB-CD 3.78Å; P120-K133 VanDerWaalsContact CB-CE 3.43Å; P120-K133 HydrophobicContact CB-CG 3.71Å; P120-K133 HydrophobicContact CG-CD 4.32Å; P120-K133 HydrophobicContact CG-CG 4.09Å; P120-K133 PolarHBondContact O-NZ 2.97Å; D121-K133 IonicContact OD1-NZ 2.7Å; D121-K133 PolarHBondContact OD1-NZ 3.24Å; S129-K133 WeakPolarHBondContact O-CB 3.23Å; S129-K133 WeakPolarHBondContact O-CG 3.4Å; S129-K133 PolarHBondContact O-N 3.43Å; S130-K133 PolarHBondContact O-N 3.01Å; E131-K133 VanDerWaalsContact C-N 3.33Å; E131-K133 PolarHBondContact O-N 3.08Å
134Y97.9Very high97.8Very high195 Ų19569.1 Ų69.177%0.76535%0.35SS*.Hα-helixtrans-108.7-18.2-167.5-55.2-63.3000114.2S130S130-Y134 WeakPolarHBondContact O-CD2 3.37Å; S130-Y134 PolarHBondContact O-N 2.86Å
135N97.4Very high97.9Very high75 Ų7572.3 Ų72.340%0.40136%0.361SS..  trans-144.866.2179-166.7-11.8000111.9E131 C137 L138 F139E131-N135 HydrophobicContact CG-CB 4.47Å; E131-N135 CarbonylContact O-C 2.97Å; E131-N135 VanDerWaalsContact O-CA 3.26Å; E131-N135 WeakPolarHBondContact O-CA 3.42Å; E131-N135 PolarHBondContact O-N 3.01Å; E131-N135 VanDerWaalsContact O-O 3.08Å; N135-C137 PolarHBondContact O-N 3.31Å; N135-C137 VanDerWaalsContact O-N 3.13Å; N135-L138 HydrophobicContact CB-CB 4.24Å; N135-L138 VanDerWaalsContact CG-CB 3.42Å; N135-L138 WeakPolarHBondContact ND2-CB 3.35Å; N135-L138 PolarHBondContact O-N 2.98Å; N135-L138 VanDerWaalsContact O-N 3.13Å; N135-L138 WeakPolarHBondContact OD1-CB 3.26Å; N135-L138 PolarHBondContact OD1-N 3.18Å; N135-F139 PolarHBondContact O-N 3.46Å; N135-F139 VanDerWaalsContact O-N 3.08Å
136K96.4Very high98Very high132 Ų13274.4 Ų74.457%0.57437%0.366SS*.Hα-helixtrans-57.4-29.9-177.9-168.9168.4-175.9172.20113.8T140K136-T140 WeakPolarHBondContact O-CB 3.46Å; K136-T140 PolarHBondContact O-N 2.86Å; K136-T140 PolarHBondContact O-OG1 2.95Å
137C98Very high98Very high99 Ų9971.7 Ų71.767%0.66934%0.343SS*.Hα-helixtrans-63.5-52.3176.4-171.40000110.9N135 F139 T140 E141N135-C137 PolarHBondContact O-N 3.31Å; N135-C137 VanDerWaalsContact O-N 3.13Å; C137-F139 PolarHBondContact O-N 3.27Å; C137-T140 PolarHBondContact O-N 3.19Å; C137-E141 PolarHBondContact O-N 3.13Å
138L98.3Very high98Very high57 Ų5771.6 Ų71.630%0.29834%0.338SS..Hα-helixtrans-61.9-43.3178.2-177.361.5000112E131 N135 T140 E141 K142E131-L138 HydrophobicContact CG-CB 4.35Å; E131-L138 HydrophobicContact CG-CD2 4.23Å; E131-L138 HydrophobicContact CG-CG 4.3Å; E131-L138 WeakPolarHBondContact OE2-CD2 3.28Å; E131-L138 WeakPolarHBondContact OE2-CG 3.42Å; N135-L138 HydrophobicContact CB-CB 4.24Å; N135-L138 VanDerWaalsContact CG-CB 3.42Å; N135-L138 WeakPolarHBondContact ND2-CB 3.35Å; N135-L138 PolarHBondContact O-N 2.98Å; N135-L138 VanDerWaalsContact O-N 3.13Å; N135-L138 WeakPolarHBondContact OD1-CB 3.26Å; N135-L138 PolarHBondContact OD1-N 3.18Å; L138-T140 VanDerWaalsContact C-N 3.31Å; L138-T140 PolarHBondContact O-N 3.36Å; L138-E141 PolarHBondContact O-N 3.45Å; L138-K142 HydrophobicContact CD1-CD 4.5Å; L138-K142 HydrophobicContact CD1-CG 4.4Å; L138-K142 HydrophobicContact CG-CD 4.41Å; L138-K142 WeakPolarHBondContact O-CG 3.39Å; L138-K142 PolarHBondContact O-N 3.4Å
139F98.5Very high98Very high4 Ų477 Ų772%0.01836%0.364CS..Hα-helixtrans-55-48.9174167.8-94.5000111.4P45 Y46 Y75 P77 I128 E131 F132 N135 C137 E141 K142 A143P45-F139 HydrophobicContact CG-CE1 4.25Å; Y46-F139 WeakPolarHBondContact OH-CZ 3.5Å; Y75-F139 HydrophobicContact CD1-CD2 4.13Å; Y75-F139 HydrophobicContact CD1-CE2 4.06Å; Y75-F139 AromaticContact CE1-CD2 3.92Å; Y75-F139 HydrophobicContact CE1-CD2 3.92Å; Y75-F139 HydrophobicContact CE1-CE2 4.26Å; P77-F139 HydrophobicContact CG-CE2 4.27Å; I128-F139 HydrophobicContact CG2-CD2 3.94Å; I128-F139 HydrophobicContact CG2-CE2 3.74Å; E131-F139 HydrophobicContact CG-CB 4.14Å; E131-F139 VanDerWaalsContact OE1-CA 3.29Å; E131-F139 WeakPolarHBondContact OE1-CA 3.28Å; F132-F139 HydrophobicContact CB-CD2 4.09Å; F132-F139 HydrophobicContact CB-CE2 4.46Å; F132-F139 HydrophobicContact CB-CG 4.2Å; F132-F139 AromaticContact CD2-CD1 3.61Å; F132-F139 HydrophobicContact CD2-CD1 3.61Å; F132-F139 HydrophobicContact CD2-CD2 4.31Å; F132-F139 AromaticContact CD2-CE1 3.57Å; F132-F139 HydrophobicContact CD2-CE1 3.57Å; F132-F139 HydrophobicContact CD2-CE2 4.29Å; F132-F139 AromaticContact CD2-CG 3.98Å; F132-F139 HydrophobicContact CD2-CG 3.98Å; F132-F139 AromaticContact CD2-CZ 3.92Å; F132-F139 HydrophobicContact CD2-CZ 3.92Å; F132-F139 HydrophobicContact CE2-CD1 4.31Å; F132-F139 HydrophobicContact CE2-CE1 4.02Å; N135-F139 PolarHBondContact O-N 3.46Å; N135-F139 VanDerWaalsContact O-N 3.08Å; C137-F139 PolarHBondContact O-N 3.27Å; F139-E141 VanDerWaalsContact C-N 3.34Å; F139-E141 PolarHBondContact O-N 3.31Å; F139-K142 PolarHBondContact O-N 2.98Å; F139-A143 HydrophobicContact CE1-CB 4.48Å; F139-A143 HydrophobicContact CZ-CB 4.37Å; F139-A143 VanDerWaalsContact O-CB 3.26Å; F139-A143 WeakPolarHBondContact O-CB 3.35Å; F139-A143 PolarHBondContact O-N 3.44Å
140T98.4Very high97.9Very high39 Ų3980.1 Ų80.124%0.23938%0.378CS..Hα-helixtrans-63.5-42.1-177.6-57.90000111.1P45 K136 C137 L138 K144P45-T140 HydrophobicContact CB-CG2 4.16Å; K136-T140 WeakPolarHBondContact O-CB 3.46Å; K136-T140 PolarHBondContact O-N 2.86Å; K136-T140 PolarHBondContact O-OG1 2.95Å; C137-T140 PolarHBondContact O-N 3.19Å; L138-T140 VanDerWaalsContact C-N 3.31Å; L138-T140 PolarHBondContact O-N 3.36Å; T140-K144 HydrophobicContact CG2-CD 4.26Å; T140-K144 WeakPolarHBondContact O-CB 3.43Å; T140-K144 VanDerWaalsContact O-CG 3.26Å; T140-K144 WeakPolarHBondContact O-CG 3.46Å; T140-K144 PolarHBondContact O-N 3.15Å
141E98.5Very high97.9Very high131 Ų13177.6 Ų77.661%0.61236%0.36SS*.Hα-helixtrans-62.1-49.3176.6-171.9-173.1161.300111.7C137 L138 F139 K144 K145C137-E141 PolarHBondContact O-N 3.13Å; L138-E141 PolarHBondContact O-N 3.45Å; F139-E141 VanDerWaalsContact C-N 3.34Å; F139-E141 PolarHBondContact O-N 3.31Å; E141-K144 PolarHBondContact O-N 3.08Å; E141-K145 PolarHBondContact O-N 3.42Å
142K98.5Very high97.7Very high76 Ų7680.2 Ų80.233%0.3337%0.374SS..Hα-helixtrans-63.2-44.9178.7-73.6-175.7-175.11700112.1Y75 E131 L138 F139 K144 K145 W146Y75-K142 HydrophobicContact CD1-CB 4.14Å; Y75-K142 HydrophobicContact CE1-CB 3.88Å; Y75-K142 HydrophobicContact CE1-CD 4.27Å; E131-K142 WeakPolarHBondContact OE1-CD 3.38Å; E131-K142 IonicContact OE1-NZ 3.39Å; E131-K142 IonicContact OE2-NZ 3.64Å; E131-K142 PolarHBondContact OE2-NZ 3.08Å; L138-K142 HydrophobicContact CD1-CD 4.5Å; L138-K142 HydrophobicContact CD1-CG 4.4Å; L138-K142 HydrophobicContact CG-CD 4.41Å; L138-K142 WeakPolarHBondContact O-CG 3.39Å; L138-K142 PolarHBondContact O-N 3.4Å; F139-K142 PolarHBondContact O-N 2.98Å; K142-K144 VanDerWaalsContact C-N 3.33Å; K142-K144 PolarHBondContact O-N 2.9Å; K142-K145 PolarHBondContact O-N 2.78Å; K142-W146 WeakPolarHBondContact O-CB 3.4Å; K142-W146 PolarHBondContact O-N 2.85Å
143A98.6Very high96.8Very high0 Ų084.8 Ų84.80%040%0.396CS..Hα-helixtrans-63.2-38.5178.300000112.3P45 Y46 Y75 F139 W146 T147P45-A143 HydrophobicContact CB-CB 3.57Å; P45-A143 HydrophobicContact CG-CB 3.83Å; Y46-A143 HydrophobicContact CE1-CB 4.13Å; Y75-A143 HydrophobicContact CD1-CB 4.14Å; F139-A143 HydrophobicContact CE1-CB 4.48Å; F139-A143 HydrophobicContact CZ-CB 4.37Å; F139-A143 VanDerWaalsContact O-CB 3.26Å; F139-A143 WeakPolarHBondContact O-CB 3.35Å; F139-A143 PolarHBondContact O-N 3.44Å; A143-W146 PolarHBondContact O-N 2.88Å; A143-T147 WeakPolarHBondContact O-CB 3.45Å; A143-T147 PolarHBondContact O-N 3.46Å; A143-T147 PolarHBondContact O-OG1 3.3Å
144K98.5Very high95.3Very high107 Ų10786.3 Ų86.347%0.46541%0.413SS..Hα-helixtrans-62.4-47.5172.1-77.5177.1178.8-176.20111.9P45 T140 E141 K142 W146 T147 Q148P45-K144 HydrophobicContact CB-CG 3.81Å; P45-K144 WeakPolarHBondContact O-CA 3.46Å; T140-K144 HydrophobicContact CG2-CD 4.26Å; T140-K144 WeakPolarHBondContact O-CB 3.43Å; T140-K144 VanDerWaalsContact O-CG 3.26Å; T140-K144 WeakPolarHBondContact O-CG 3.46Å; T140-K144 PolarHBondContact O-N 3.15Å; E141-K144 PolarHBondContact O-N 3.08Å; K142-K144 VanDerWaalsContact C-N 3.33Å; K142-K144 PolarHBondContact O-N 2.9Å; K144-W146 VanDerWaalsContact C-N 3.33Å; K144-W146 PolarHBondContact O-N 3.13Å; K144-T147 WeakPolarHBondContact O-CB 3.45Å; K144-T147 PolarHBondContact O-N 3.37Å; K144-Q148 WeakPolarHBondContact O-CG 3.19Å; K144-Q148 PolarHBondContact O-N 2.91Å
145K98.3Very high93.1Very high137 Ų13784.1 Ų84.160%0.59641%0.414SS*.Hα-helixtrans-59.2-45.5177.1-175.2-179.5176.4-177.30111.5E141 K142 T147 Q148 E149E141-K145 PolarHBondContact O-N 3.42Å; K142-K145 PolarHBondContact O-N 2.78Å; K145-T147 VanDerWaalsContact C-N 3.32Å; K145-T147 PolarHBondContact O-N 3.38Å; K145-Q148 PolarHBondContact O-N 3.29Å; K145-E149 PolarHBondContact O-N 2.97Å
146W98.2Very high90.7Very high90 Ų9089.7 Ų89.734%0.34144%0.435SS..Hα-helixtrans-61.1-41.7177.7-139.7-88.3000111.9Y75 K142 A143 K144 E149 H150Y75-W146 HydrophobicContact CD2-CD2 4.23Å; Y75-W146 HydrophobicContact CD2-CE3 4.03Å; Y75-W146 HydrophobicContact CD2-CZ3 4.36Å; K142-W146 WeakPolarHBondContact O-CB 3.4Å; K142-W146 PolarHBondContact O-N 2.85Å; A143-W146 PolarHBondContact O-N 2.88Å; K144-W146 VanDerWaalsContact C-N 3.33Å; K144-W146 PolarHBondContact O-N 3.13Å; W146-E149 PolarHBondContact O-N 2.89Å; W146-H150 AromaticContact CD1-CD2 3.27Å; W146-H150 AromaticContact CD1-NE2 3.94Å; W146-H150 AromaticContact CE2-CD2 3.94Å; W146-H150 AromaticContact CE2-NE2 3.79Å; W146-H150 AromaticContact CG-CD2 3.83Å; W146-H150 AromaticContact NE1-CD2 3.31Å; W146-H150 PolarHBondContact NE1-CD2 2.79Å; W146-H150 VanDerWaalsContact NE1-CD2 3.31Å; W146-H150 AromaticContact NE1-NE2 3.55Å; W146-H150 PolarHBondContact O-CD2 2.81Å; W146-H150 VanDerWaalsContact O-CD2 3.27Å; W146-H150 PolarHBondContact O-N 2.95Å
147T98.5Very high88.2Confident4 Ų494 Ų943%0.02545%0.447CS..Hα-helixtrans-61.5-45.5175.8-610000111P45 F51 A143 K144 K145 E149 A151 I152P45-T147 PolarHBondContact O-OG1 2.71Å; F51-T147 HydrophobicContact CZ-CG2 4.03Å; A143-T147 WeakPolarHBondContact O-CB 3.45Å; A143-T147 PolarHBondContact O-N 3.46Å; A143-T147 PolarHBondContact O-OG1 3.3Å; K144-T147 WeakPolarHBondContact O-CB 3.45Å; K144-T147 PolarHBondContact O-N 3.37Å; K145-T147 VanDerWaalsContact C-N 3.32Å; K145-T147 PolarHBondContact O-N 3.38Å; T147-E149 VanDerWaalsContact C-N 3.31Å; T147-E149 PolarHBondContact O-N 3.1Å; T147-A151 HydrophobicContact CG2-CB 4.14Å; T147-A151 WeakPolarHBondContact O-CA 3.22Å; T147-A151 WeakPolarHBondContact O-CB 3.5Å; T147-A151 PolarHBondContact O-N 2.87Å; T147-I152 PolarHBondContact O-N 2.69Å
148Q97.6Very high85.7Confident133 Ų13396 Ų9662%0.62146%0.456SS*.Hα-helixtrans-62-38.3177.7-71.7175.7-6.700112.9K144 K145 I152K144-Q148 WeakPolarHBondContact O-CG 3.19Å; K144-Q148 PolarHBondContact O-N 2.91Å; K145-Q148 PolarHBondContact O-N 3.29Å; Q148-I152 HydrophobicContact CB-CD1 4.18Å; Q148-I152 HydrophobicContact CG-CD1 3.87Å
149E97.1Very high83Confident128 Ų12899.5 Ų99.560%0.59848%0.48SS*.Hα-helixtrans-75.4-38.2-177.2-171.7171.7171.400113K145 W146 T147K145-E149 PolarHBondContact O-N 2.97Å; W146-E149 PolarHBondContact O-N 2.89Å; T147-E149 VanDerWaalsContact C-N 3.31Å; T147-E149 PolarHBondContact O-N 3.1Å
150H97.3Very high80.2Confident69 Ų69101.6 Ų101.632%0.31950%0.503SS..Hα-helixtrans-116.1-24.1-167.4-59.6-63.8000115.3T72 P73 W146T72-H150 HydrophobicContact CG2-CB 4.47Å; T72-H150 WeakPolarHBondContact CG2-O 3.1Å; P73-H150 HydrophobicContact CB-CB 4.21Å; P73-H150 HydrophobicContact CG-CB 4.39Å; W146-H150 AromaticContact CD1-CD2 3.27Å; W146-H150 AromaticContact CD1-NE2 3.94Å; W146-H150 AromaticContact CE2-CD2 3.94Å; W146-H150 AromaticContact CE2-NE2 3.79Å; W146-H150 AromaticContact CG-CD2 3.83Å; W146-H150 AromaticContact NE1-CD2 3.31Å; W146-H150 PolarHBondContact NE1-CD2 2.79Å; W146-H150 VanDerWaalsContact NE1-CD2 3.31Å; W146-H150 AromaticContact NE1-NE2 3.55Å; W146-H150 PolarHBondContact O-CD2 2.81Å; W146-H150 VanDerWaalsContact O-CD2 3.27Å; W146-H150 PolarHBondContact O-N 2.95Å
151A96.9Very high77.5Confident3 Ų3106 Ų1063%0.02553%0.525CS..THydrogen-bonded Turntrans-113.5-10.5-17000000113.7L50 F51 T72 T147L50-A151 PolarHBondContact N-O 2.65Å; F51-A151 HydrophobicContact CD1-CB 4.11Å; F51-A151 HydrophobicContact CE1-CB 3.68Å; F51-A151 HydrophobicContact CE2-CB 4.16Å; F51-A151 HydrophobicContact CZ-CB 3.7Å; T72-A151 HydrophobicContact CG2-CB 3.86Å; T147-A151 HydrophobicContact CG2-CB 4.14Å; T147-A151 WeakPolarHBondContact O-CA 3.22Å; T147-A151 WeakPolarHBondContact O-CB 3.5Å; T147-A151 PolarHBondContact O-N 2.87Å
152I93.3Very high74.6Confident80 Ų80106.9 Ų106.941%0.4153%0.534SS..SBendtrans-86.6119.6173.4-61.2-175.5000109.2T147 Q148 T154T147-I152 PolarHBondContact O-N 2.69Å; Q148-I152 HydrophobicContact CB-CD1 4.18Å; Q148-I152 HydrophobicContact CG-CD1 3.87Å; I152-T154 PolarHBondContact O-N 3.17Å
153Q79.4Confident71.7Confident132 Ų132111.8 Ų111.862%0.61756%0.555SS**  trans-68.3104.7172.9-70.7178.93300109.7N155Q153-N155 PolarHBondContact O-N 3.33Å
154T65Low68.8Low122 Ų122120.7 Ų120.775%0.74860%0.597SS**  trans-74.2117.515931.20000107.1I152 K156I152-T154 PolarHBondContact O-N 3.17Å; T154-K156 PolarHBondContact O-N 3.27Å
155N53Low65.6Low149 Ų149123.2 Ų123.280%0.79762%0.615SS**  trans-61.380.4173.1-104.8-18.1000109.8Q153 R157Q153-N155 PolarHBondContact O-N 3.33Å; N155-R157 PolarHBondContact O-N 3.49Å
156K46.1Very low62.6Low191 Ų191121 Ų12183%0.8362%0.623SS**  trans-72.788.9161.2-101.6-175.1176.8178.10106.3T154 V158T154-K156 PolarHBondContact O-N 3.27Å; K156-V158 PolarHBondContact O-N 2.91Å
157R44.1Very low59.6Low222 Ų222122.7 Ų122.784%0.83865%0.645SS**  trans-52.8114.5162.7-68-177.3-179.6-173.6-0.2106.9N155 V159N155-R157 PolarHBondContact O-N 3.49Å; R157-V159 VanDerWaalsContact C-N 3.34Å; R157-V159 PolarHBondContact O-N 2.94Å
158V45.1Very low56.6Low141 Ų141129.5 Ų129.586%0.85568%0.681SS**  trans-64.7100.6165.9178.90000105.5K156 G160K156-V158 PolarHBondContact O-N 2.91Å; V158-G160 PolarHBondContact O-N 2.91Å
159V43Very low53.6Low131 Ų131132.3 Ų132.379%0.79470%0.695SS**  trans-72.9102.3164.5178.30000104.9R157 D161R157-V159 VanDerWaalsContact C-N 3.34Å; R157-V159 PolarHBondContact O-N 2.94Å; V159-D161 PolarHBondContact O-N 2.88Å
160G39.3Very low50.6Low48 Ų48135.1 Ų135.150%0.49571%0.705SS.*  trans-63.5125.1168.400000109.1V158 D162V158-G160 PolarHBondContact O-N 2.91Å; G160-D162 VanDerWaalsContact C-N 3.27Å; G160-D162 PolarHBondContact O-N 3.4Å; G160-D162 VanDerWaalsContact O-N 3.09Å
161D40.6Very low47.5Very low131 Ų131140 Ų14070%0.70173%0.732SS**  trans-77.180.5170.2-151.2-64.6000107.1V159 K163V159-D161 PolarHBondContact O-N 2.88Å; D161-K163 VanDerWaalsContact C-N 3.28Å; D161-K163 PolarHBondContact O-N 2.9Å; D161-K163 VanDerWaalsContact O-N 3.1Å; D161-K163 WeakPolarHBondContact OD1-CG 3.46Å
162D38.8Very low44.4Very low150 Ų150144 Ų14480%0.80276%0.761SS**  trans-79.581.1168.9-73.4-37.8000108.6G160 E164G160-D162 VanDerWaalsContact C-N 3.27Å; G160-D162 PolarHBondContact O-N 3.4Å; G160-D162 VanDerWaalsContact O-N 3.09Å; D162-E164 VanDerWaalsContact C-N 3.31Å; D162-E164 PolarHBondContact O-N 3.34Å
163K38Very low41.5Very low180 Ų180144.8 Ų144.878%0.78377%0.773SS**  trans-83.582.9158.5-79.8-177.1-175179.60108.8D161D161-K163 VanDerWaalsContact C-N 3.28Å; D161-K163 PolarHBondContact O-N 2.9Å; D161-K163 VanDerWaalsContact O-N 3.1Å; D161-K163 WeakPolarHBondContact OD1-CG 3.46Å
164E36.6Very low39.4Very low186 Ų186150.2 Ų150.287%0.86979%0.788SS**PPolyproline II helixtrans-70.3132.1164.2-85.6-169.5143.500111.1D162D162-E164 VanDerWaalsContact C-N 3.31Å; D162-E164 PolarHBondContact O-N 3.34Å
165N30.7Very low38.2Very low160 Ų160153.5 Ų153.586%0.85679%0.792SS**PPolyproline II helixtrans-72.5116-177-158.425.6000109.4
166A35.1Very low37.2Very low91 Ų91157.5 Ų157.575%0.75280%0.795SS**PPolyproline II helixtrans-83.6127.5174.700000110.8
167P36.6Very low36.6Very low126 Ų126155.7 Ų155.782%0.81880%0.795SS**PPolyproline II helixtrans-87.5133.7165.132-25.9000110.8
168D34.2Very low36.2Very low146 Ų146149.8 Ų149.878%0.78179%0.794SS**PPolyproline II helixtrans-69.3123.5178.2-159.90.2000111.1
169Q36.3Very low35.9Very low193 Ų193150.9 Ų150.990%0.90279%0.794SS**  trans-142.8110.5159-76.9-162.9-8.500111.3
170K33.6Very low35.3Very low187 Ų187151 Ų15181%0.81380%0.799SS**  trans-78.5140162.4-80174.6176.41700111
171L31.9Very low35Very low170 Ų170152.6 Ų152.689%0.8980%0.803SS**  trans158.6147.6140-107.186.4000106.8
172S32.2Very low34.7Very low89 Ų89154.2 Ų154.262%0.62281%0.806SS**  cis-165.6141.4-13.358.10000106.5
173S32.6Very low34.6Very low96 Ų96153.6 Ų153.667%0.67180%0.798SS**  trans8.3130.4151.251.20000120.5
174R35.4Very low34.2Very low246 Ų246153.1 Ų153.193%0.92880%0.799SS**  178.4136.9109.9-93.6162.4-173.6-1622113.5
175K38.3Very low34.1Very low191 Ų191148.5 Ų148.583%0.8379%0.792SS**  trans-60.3147.6174.9-64170.3167.2179.70113.7
176R33.1Very low34.2Very low232 Ų232150.1 Ų150.188%0.87580%0.795SS**  177.3144.9102.4-102.7175.1-79.8167.1-6.6113.7
177D32.4Very low34.4Very low154 Ų154154.4 Ų154.482%0.82480%0.799SS**  trans-54.5155.1171-51-83.3000114.7
178A35.8Very low35.1Very low98 Ų98152.7 Ų152.781%0.8179%0.788SS**  178.4122.2116.400000111.6
179L39.4Very low35.4Very low163 Ų163152.6 Ų152.685%0.85379%0.787SS**  trans-61.5150.8155.8-85.978.8000110.3
180C29.9Very low35.8Very low133 Ų133153.3 Ų153.390%0.89979%0.787SS**  trans-127110.3148.6-163.40000108.9
181S33.4Very low36.6Very low82 Ų82154.8 Ų154.857%0.57379%0.787SS**  trans-64.1161.1170.8-39.70000110.4
182Q35.3Very low37.6Very low165 Ų165152.5 Ų152.577%0.77178%0.783SS**  -178124.680.4-81.3178.6-8.100107.2
183Q35.7Very low37.9Very low137 Ų137154.3 Ų154.364%0.6479%0.794SS**  102.9113.896-80.7178.7-74.400111.7
184E30.7Very low38.6Very low170 Ų170162.5 Ų162.579%0.79483%0.825SS**  73.2138.1101.4-68.8176.3148.100111.9
185A32.7Very low38.8Very low89 Ų89158.3 Ų158.374%0.73682%0.82SS**  cis-159.5163.61.600000104.6
186E34.6Very low38.8Very low194 Ų194156.6 Ų156.691%0.90782%0.819SS**  -176.1147.265.4-84-171.5130.800109.3
187E38.3Very low39.1Very low182 Ų182152.4 Ų152.485%0.8582%0.816SS**  trans-87.7-168.9163.4-129.6-164.5141.800109.4
188P51.4Low39.5Very low90 Ų90152.3 Ų152.358%0.58482%0.816SS**  cis-135.5170.2-24.833.6-15000113.3
189L39.9Very low39.7Very low143 Ų143155.7 Ų155.775%0.74982%0.816SS**  -170.7107.8128.8-134.175.5000112.4R191L189-R191 HydrophobicContact CD2-CG 4.38Å
190K44.3Very low39.7Very low208 Ų208155.2 Ų155.290%0.90481%0.814SS**PPolyproline II helixtrans-87.3131152.8-74.1177178.9174.30107.8
191R52.1Low40.4Very low218 Ų218156.8 Ų156.882%0.82381%0.807SS**PPolyproline II helixtrans-97.7147.8157.7-77.7-173.7-179.8-1691109.2L189L189-R191 HydrophobicContact CD2-CG 4.38Å
192P53.1Low41Very low122 Ų122162.5 Ų162.579%0.79283%0.825SS**PPolyproline II helixtrans-85.5165.1-167.935.6-34.9000112.6
193C37Very low41.5Very low128 Ų128162.3 Ų162.387%0.86583%0.83SS**PPolyproline II helixtrans-50.3133.3170.5-58.60000113.5
194M47.7Very low42Very low267 Ų267164.6 Ų164.6100%1.31585%0.847SS**  -148.60117.9-86.8-156.4174.600108.5

Retrieved 194 of 194 residues in 397 ms (Link to these results)

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